USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 799 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 : A 10 LYS NZ :NH3+ 164:sc= -0.0939 (180deg=-0.444) USER MOD Single : A 11 GLN : amide:sc=-0.00573 X(o=-0.0057,f=0) USER MOD Single : A 13 TYR OH : rot -15:sc= 0.186 USER MOD Single : A 14 MET CE :methyl 178:sc= -6.48! (180deg=-6.67!) USER MOD Single : A 15 MET CE :methyl -146:sc= -1.4 (180deg=-3.64!) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0.422 (180deg=0.344) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -0.0633 (180deg=-0.455) USER MOD Single : A 25 THR OG1 : rot 38:sc= 0.0407 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= 0.202 (180deg=0.085) USER MOD Single : A 34 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 20:sc= 0.00229 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.016) USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= -0.414 (180deg=-2.06!) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= -0.652 (180deg=-0.684) USER MOD Single : A 56 ASN : amide:sc= -1.95 K(o=-1.9,f=-3.9!) USER MOD Single : A 58 CYS SG : rot 36:sc= 0.701 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -127:sc= -0.0588 (180deg=-1.26!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 130:sc= -0.885 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -66:sc= 0.384 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 0.0819 (180deg=0.033) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc=-0.00396 X(o=-0.004,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 100 SER OG : rot 80:sc= 0.617 USER MOD Single : A 101 THR OG1 : rot 72:sc= 1.06 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.681 F(o=-2.1!,f=-0.68) USER MOD Single : A 106 LYS NZ :NH3+ -175:sc= -2.8 (180deg=-3.02) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -12.185 9.025 -1.924 1.00 0.00 N ATOM 67 CA VAL A 8 -10.796 8.935 -1.492 1.00 0.00 C ATOM 68 C VAL A 8 -10.677 9.109 0.017 1.00 0.00 C ATOM 69 O VAL A 8 -11.071 10.139 0.567 1.00 0.00 O ATOM 70 CB VAL A 8 -9.921 9.992 -2.191 1.00 0.00 C ATOM 71 CG1 VAL A 8 -8.567 10.102 -1.507 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.756 9.658 -3.666 1.00 0.00 C ATOM 0 HA VAL A 8 -10.443 7.942 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.420 10.958 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.963 10.854 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.708 10.392 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.059 9.139 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.135 10.416 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.280 8.682 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.734 9.636 -4.146 1.00 0.00 H new ATOM 82 N LEU A 9 -10.131 8.098 0.683 1.00 0.00 N ATOM 83 CA LEU A 9 -9.959 8.139 2.131 1.00 0.00 C ATOM 84 C LEU A 9 -8.764 9.006 2.513 1.00 0.00 C ATOM 85 O LEU A 9 -8.907 10.005 3.218 1.00 0.00 O ATOM 86 CB LEU A 9 -9.775 6.724 2.683 1.00 0.00 C ATOM 87 CG LEU A 9 -10.830 5.699 2.267 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.523 4.340 2.876 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.219 6.167 2.675 1.00 0.00 C ATOM 0 H LEU A 9 -9.800 7.239 0.243 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.857 8.578 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.798 6.357 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.760 6.779 3.772 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.806 5.602 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.285 3.623 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.546 4.000 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.518 4.421 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.957 5.425 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.257 6.294 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.440 7.118 2.190 1.00 0.00 H new ATOM 101 N LYS A 10 -7.584 8.618 2.041 1.00 0.00 N ATOM 102 CA LYS A 10 -6.362 9.361 2.330 1.00 0.00 C ATOM 103 C LYS A 10 -5.624 9.714 1.043 1.00 0.00 C ATOM 104 O LYS A 10 -5.759 9.027 0.031 1.00 0.00 O ATOM 105 CB LYS A 10 -5.449 8.544 3.246 1.00 0.00 C ATOM 106 CG LYS A 10 -4.593 9.396 4.168 1.00 0.00 C ATOM 107 CD LYS A 10 -3.660 8.542 5.010 1.00 0.00 C ATOM 108 CE LYS A 10 -2.846 9.390 5.975 1.00 0.00 C ATOM 109 NZ LYS A 10 -3.714 10.266 6.810 1.00 0.00 N ATOM 0 H LYS A 10 -7.448 7.793 1.457 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.639 10.286 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.060 7.872 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.798 7.920 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.008 10.100 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.236 9.986 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.242 7.809 5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.988 7.985 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.257 8.740 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.142 10.005 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.171 10.619 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.046 11.070 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.532 9.721 7.150 1.00 0.00 H new ATOM 123 N GLN A 11 -4.843 10.789 1.090 1.00 0.00 N ATOM 124 CA GLN A 11 -4.084 11.232 -0.073 1.00 0.00 C ATOM 125 C GLN A 11 -2.912 12.114 0.346 1.00 0.00 C ATOM 126 O GLN A 11 -3.057 12.995 1.192 1.00 0.00 O ATOM 127 CB GLN A 11 -4.990 11.994 -1.041 1.00 0.00 C ATOM 128 CG GLN A 11 -5.594 13.255 -0.445 1.00 0.00 C ATOM 129 CD GLN A 11 -6.867 13.682 -1.149 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.955 13.632 -0.575 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.737 14.106 -2.401 1.00 0.00 N ATOM 0 H GLN A 11 -4.720 11.368 1.920 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.690 10.349 -0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.416 12.261 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.795 11.335 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.806 13.088 0.611 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.865 14.063 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.816 14.131 -2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.559 14.407 -2.926 1.00 0.00 H new ATOM 140 N GLY A 12 -1.750 11.871 -0.253 1.00 0.00 N ATOM 141 CA GLY A 12 -0.571 12.651 0.072 1.00 0.00 C ATOM 142 C GLY A 12 0.625 12.277 -0.781 1.00 0.00 C ATOM 143 O GLY A 12 0.601 11.269 -1.488 1.00 0.00 O ATOM 0 H GLY A 12 -1.605 11.148 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.792 13.710 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.323 12.507 1.124 1.00 0.00 H new ATOM 147 N TYR A 13 1.673 13.091 -0.717 1.00 0.00 N ATOM 148 CA TYR A 13 2.882 12.842 -1.493 1.00 0.00 C ATOM 149 C TYR A 13 3.809 11.874 -0.764 1.00 0.00 C ATOM 150 O TYR A 13 4.515 12.257 0.168 1.00 0.00 O ATOM 151 CB TYR A 13 3.615 14.156 -1.770 1.00 0.00 C ATOM 152 CG TYR A 13 3.091 14.899 -2.978 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.109 14.315 -4.239 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.578 16.184 -2.859 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.632 14.990 -5.345 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.098 16.867 -3.960 1.00 0.00 C ATOM 157 CZ TYR A 13 2.127 16.266 -5.201 1.00 0.00 C ATOM 158 OH TYR A 13 1.650 16.941 -6.300 1.00 0.00 O ATOM 0 H TYR A 13 1.710 13.929 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 13 2.588 12.390 -2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.533 14.800 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.675 13.947 -1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.503 13.316 -4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.554 16.658 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.654 14.522 -6.318 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.702 17.866 -3.849 1.00 0.00 H new ATOM 0 HH TYR A 13 1.954 16.493 -7.117 1.00 0.00 H new ATOM 168 N MET A 14 3.799 10.617 -1.196 1.00 0.00 N ATOM 169 CA MET A 14 4.639 9.593 -0.586 1.00 0.00 C ATOM 170 C MET A 14 5.752 9.166 -1.537 1.00 0.00 C ATOM 171 O MET A 14 5.678 9.405 -2.742 1.00 0.00 O ATOM 172 CB MET A 14 3.796 8.379 -0.191 1.00 0.00 C ATOM 173 CG MET A 14 2.610 8.726 0.696 1.00 0.00 C ATOM 174 SD MET A 14 1.938 7.287 1.549 1.00 0.00 S ATOM 175 CE MET A 14 1.152 6.424 0.191 1.00 0.00 C ATOM 0 H MET A 14 3.219 10.283 -1.966 1.00 0.00 H new ATOM 0 HA MET A 14 5.093 10.017 0.310 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.433 7.889 -1.095 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.430 7.660 0.328 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.917 9.470 1.432 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.828 9.182 0.089 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.720 5.491 0.554 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.365 7.049 -0.230 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.892 6.205 -0.578 1.00 0.00 H new ATOM 185 N MET A 15 6.783 8.532 -0.987 1.00 0.00 N ATOM 186 CA MET A 15 7.911 8.071 -1.788 1.00 0.00 C ATOM 187 C MET A 15 7.921 6.549 -1.887 1.00 0.00 C ATOM 188 O MET A 15 8.176 5.854 -0.903 1.00 0.00 O ATOM 189 CB MET A 15 9.228 8.563 -1.184 1.00 0.00 C ATOM 190 CG MET A 15 9.558 10.004 -1.539 1.00 0.00 C ATOM 191 SD MET A 15 11.317 10.371 -1.387 1.00 0.00 S ATOM 192 CE MET A 15 11.883 10.008 -3.047 1.00 0.00 C ATOM 0 H MET A 15 6.860 8.326 0.009 1.00 0.00 H new ATOM 0 HA MET A 15 7.804 8.482 -2.792 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.179 8.467 -0.099 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.038 7.919 -1.525 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.236 10.205 -2.561 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.994 10.673 -0.889 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.893 9.599 -3.006 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.215 9.280 -3.508 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.886 10.923 -3.639 1.00 0.00 H new ATOM 202 N LYS A 16 7.643 6.036 -3.081 1.00 0.00 N ATOM 203 CA LYS A 16 7.620 4.596 -3.310 1.00 0.00 C ATOM 204 C LYS A 16 8.876 4.143 -4.049 1.00 0.00 C ATOM 205 O LYS A 16 9.431 4.882 -4.862 1.00 0.00 O ATOM 206 CB LYS A 16 6.376 4.205 -4.110 1.00 0.00 C ATOM 207 CG LYS A 16 6.340 2.738 -4.500 1.00 0.00 C ATOM 208 CD LYS A 16 5.210 2.448 -5.473 1.00 0.00 C ATOM 209 CE LYS A 16 5.525 1.246 -6.351 1.00 0.00 C ATOM 210 NZ LYS A 16 5.676 -0.001 -5.551 1.00 0.00 N ATOM 0 H LYS A 16 7.430 6.597 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 16 7.591 4.100 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.488 4.438 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.329 4.814 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.291 2.457 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.218 2.126 -3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.290 2.264 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.035 3.322 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.729 1.113 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.443 1.434 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.054 -0.758 -6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.331 0.170 -4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.749 -0.288 -5.176 1.00 0.00 H new ATOM 224 N LYS A 17 9.318 2.924 -3.762 1.00 0.00 N ATOM 225 CA LYS A 17 10.505 2.370 -4.401 1.00 0.00 C ATOM 226 C LYS A 17 10.123 1.411 -5.524 1.00 0.00 C ATOM 227 O LYS A 17 9.615 0.319 -5.274 1.00 0.00 O ATOM 228 CB LYS A 17 11.373 1.644 -3.370 1.00 0.00 C ATOM 229 CG LYS A 17 12.856 1.675 -3.694 1.00 0.00 C ATOM 230 CD LYS A 17 13.699 1.304 -2.484 1.00 0.00 C ATOM 231 CE LYS A 17 13.906 -0.200 -2.389 1.00 0.00 C ATOM 232 NZ LYS A 17 14.736 -0.718 -3.512 1.00 0.00 N ATOM 0 H LYS A 17 8.871 2.300 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 17 11.073 3.195 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.214 2.096 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.047 0.606 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.066 0.984 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.133 2.671 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.666 1.802 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.213 1.664 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.387 -0.441 -1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.938 -0.701 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.190 -1.609 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.131 -0.888 -4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.467 -0.019 -3.754 1.00 0.00 H new ATOM 355 N TRP A 24 14.327 6.019 -4.617 1.00 0.00 N ATOM 356 CA TRP A 24 12.974 6.417 -4.248 1.00 0.00 C ATOM 357 C TRP A 24 12.506 7.602 -5.085 1.00 0.00 C ATOM 358 O TRP A 24 13.298 8.476 -5.440 1.00 0.00 O ATOM 359 CB TRP A 24 12.912 6.772 -2.761 1.00 0.00 C ATOM 360 CG TRP A 24 13.247 5.621 -1.861 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.487 5.105 -1.616 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.326 4.841 -1.090 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.394 4.052 -0.738 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.079 3.870 -0.400 1.00 0.00 C ATOM 365 CE3 TRP A 24 10.941 4.869 -0.913 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.491 2.939 0.451 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.358 3.943 -0.069 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.132 2.989 0.605 1.00 0.00 C ATOM 0 HA TRP A 24 12.310 5.575 -4.442 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.601 7.592 -2.562 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.911 7.131 -2.522 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.406 5.471 -2.049 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.177 3.496 -0.394 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.336 5.602 -1.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.086 2.203 0.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.288 3.955 0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.647 2.279 1.259 1.00 0.00 H new ATOM 379 N THR A 25 11.215 7.627 -5.399 1.00 0.00 N ATOM 380 CA THR A 25 10.643 8.705 -6.196 1.00 0.00 C ATOM 381 C THR A 25 9.283 9.128 -5.653 1.00 0.00 C ATOM 382 O THR A 25 8.372 8.310 -5.529 1.00 0.00 O ATOM 383 CB THR A 25 10.487 8.291 -7.672 1.00 0.00 C ATOM 384 OG1 THR A 25 9.938 6.971 -7.755 1.00 0.00 O ATOM 385 CG2 THR A 25 11.827 8.334 -8.390 1.00 0.00 C ATOM 0 H THR A 25 10.545 6.913 -5.113 1.00 0.00 H new ATOM 0 HA THR A 25 11.334 9.545 -6.133 1.00 0.00 H new ATOM 0 HB THR A 25 9.811 8.996 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.262 6.853 -7.055 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.692 8.038 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.229 9.346 -8.350 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.522 7.649 -7.905 1.00 0.00 H new ATOM 393 N GLU A 26 9.152 10.411 -5.331 1.00 0.00 N ATOM 394 CA GLU A 26 7.902 10.942 -4.801 1.00 0.00 C ATOM 395 C GLU A 26 6.758 10.731 -5.789 1.00 0.00 C ATOM 396 O GLU A 26 6.952 10.801 -7.003 1.00 0.00 O ATOM 397 CB GLU A 26 8.048 12.432 -4.484 1.00 0.00 C ATOM 398 CG GLU A 26 6.743 13.100 -4.087 1.00 0.00 C ATOM 399 CD GLU A 26 5.968 13.624 -5.280 1.00 0.00 C ATOM 400 OE1 GLU A 26 6.226 14.773 -5.697 1.00 0.00 O ATOM 401 OE2 GLU A 26 5.104 12.886 -5.798 1.00 0.00 O ATOM 0 H GLU A 26 9.896 11.102 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 26 7.670 10.403 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.769 12.554 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.457 12.942 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.125 12.386 -3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.954 13.924 -3.405 1.00 0.00 H new ATOM 408 N ARG A 27 5.567 10.471 -5.260 1.00 0.00 N ATOM 409 CA ARG A 27 4.393 10.248 -6.095 1.00 0.00 C ATOM 410 C ARG A 27 3.113 10.337 -5.268 1.00 0.00 C ATOM 411 O ARG A 27 3.080 9.916 -4.112 1.00 0.00 O ATOM 412 CB ARG A 27 4.478 8.881 -6.777 1.00 0.00 C ATOM 413 CG ARG A 27 5.168 8.918 -8.131 1.00 0.00 C ATOM 414 CD ARG A 27 4.691 7.788 -9.030 1.00 0.00 C ATOM 415 NE ARG A 27 5.354 6.525 -8.720 1.00 0.00 N ATOM 416 CZ ARG A 27 6.645 6.300 -8.937 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.408 7.249 -9.463 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.177 5.124 -8.629 1.00 0.00 N ATOM 0 H ARG A 27 5.390 10.410 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 27 4.367 11.026 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.014 8.191 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.471 8.484 -6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.973 9.876 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.247 8.844 -7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.613 7.668 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.878 8.050 -10.071 1.00 0.00 H new ATOM 0 HE ARG A 27 4.795 5.774 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.004 8.154 -9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.399 7.073 -9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.594 4.391 -8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.169 4.953 -8.796 1.00 0.00 H new ATOM 432 N TRP A 28 2.065 10.887 -5.869 1.00 0.00 N ATOM 433 CA TRP A 28 0.783 11.031 -5.188 1.00 0.00 C ATOM 434 C TRP A 28 0.106 9.677 -5.009 1.00 0.00 C ATOM 435 O TRP A 28 0.076 8.861 -5.931 1.00 0.00 O ATOM 436 CB TRP A 28 -0.131 11.974 -5.972 1.00 0.00 C ATOM 437 CG TRP A 28 -1.305 12.460 -5.177 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.615 12.119 -5.358 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.276 13.377 -4.078 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.402 12.769 -4.438 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.604 13.546 -3.640 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.256 14.071 -3.420 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.936 14.380 -2.576 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.588 14.898 -2.364 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.918 15.047 -1.950 1.00 0.00 C ATOM 0 H TRP A 28 2.077 11.241 -6.826 1.00 0.00 H new ATOM 0 HA TRP A 28 0.969 11.455 -4.201 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.449 12.832 -6.311 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.492 11.461 -6.863 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.979 11.438 -6.113 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.416 12.686 -4.362 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.772 13.963 -3.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.961 14.497 -2.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.192 15.439 -1.849 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.144 15.701 -1.121 1.00 0.00 H new ATOM 456 N PHE A 29 -0.438 9.444 -3.819 1.00 0.00 N ATOM 457 CA PHE A 29 -1.115 8.188 -3.520 1.00 0.00 C ATOM 458 C PHE A 29 -2.565 8.434 -3.117 1.00 0.00 C ATOM 459 O PHE A 29 -2.893 9.468 -2.536 1.00 0.00 O ATOM 460 CB PHE A 29 -0.382 7.442 -2.402 1.00 0.00 C ATOM 461 CG PHE A 29 0.668 6.492 -2.903 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.910 6.959 -3.303 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.412 5.132 -2.975 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.878 6.087 -3.764 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.377 4.256 -3.434 1.00 0.00 C ATOM 466 CZ PHE A 29 2.611 4.734 -3.830 1.00 0.00 C ATOM 0 H PHE A 29 -0.423 10.109 -3.046 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.106 7.576 -4.422 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.085 8.168 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.109 6.887 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.124 8.016 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.552 4.753 -2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.842 6.463 -4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.166 3.198 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.366 4.051 -4.191 1.00 0.00 H new ATOM 476 N VAL A 30 -3.431 7.475 -3.431 1.00 0.00 N ATOM 477 CA VAL A 30 -4.847 7.587 -3.102 1.00 0.00 C ATOM 478 C VAL A 30 -5.356 6.317 -2.428 1.00 0.00 C ATOM 479 O VAL A 30 -5.627 5.315 -3.091 1.00 0.00 O ATOM 480 CB VAL A 30 -5.696 7.864 -4.358 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.160 8.034 -3.986 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.176 9.091 -5.090 1.00 0.00 C ATOM 0 H VAL A 30 -3.177 6.613 -3.912 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.947 8.426 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.615 7.008 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.744 8.229 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.522 7.124 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.265 8.872 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.786 9.273 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.226 9.957 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.142 8.924 -5.391 1.00 0.00 H new ATOM 492 N LEU A 31 -5.484 6.366 -1.107 1.00 0.00 N ATOM 493 CA LEU A 31 -5.962 5.220 -0.341 1.00 0.00 C ATOM 494 C LEU A 31 -7.484 5.133 -0.383 1.00 0.00 C ATOM 495 O LEU A 31 -8.178 5.851 0.338 1.00 0.00 O ATOM 496 CB LEU A 31 -5.484 5.315 1.109 1.00 0.00 C ATOM 497 CG LEU A 31 -6.146 4.355 2.098 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.832 2.913 1.733 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.694 4.658 3.519 1.00 0.00 C ATOM 0 H LEU A 31 -5.263 7.187 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.553 4.316 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.408 5.140 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.647 6.335 1.458 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.226 4.495 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.311 2.244 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.206 2.702 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.753 2.758 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.175 3.965 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.612 4.546 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.971 5.680 3.779 1.00 0.00 H new ATOM 511 N LYS A 32 -7.999 4.248 -1.230 1.00 0.00 N ATOM 512 CA LYS A 32 -9.439 4.064 -1.364 1.00 0.00 C ATOM 513 C LYS A 32 -9.952 3.038 -0.358 1.00 0.00 C ATOM 514 O LYS A 32 -9.192 2.245 0.198 1.00 0.00 O ATOM 515 CB LYS A 32 -9.786 3.618 -2.786 1.00 0.00 C ATOM 516 CG LYS A 32 -9.965 4.771 -3.759 1.00 0.00 C ATOM 517 CD LYS A 32 -11.429 5.143 -3.920 1.00 0.00 C ATOM 518 CE LYS A 32 -11.840 6.230 -2.938 1.00 0.00 C ATOM 519 NZ LYS A 32 -13.320 6.350 -2.830 1.00 0.00 N ATOM 0 H LYS A 32 -7.440 3.646 -1.835 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.923 5.019 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.997 2.962 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.704 3.030 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.406 5.637 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.549 4.498 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.608 5.485 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.049 4.260 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.421 6.010 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.421 7.184 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.563 7.262 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.743 6.297 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.689 5.575 -2.243 1.00 0.00 H new ATOM 533 N PRO A 33 -11.272 3.052 -0.119 1.00 0.00 N ATOM 534 CA PRO A 33 -11.915 2.127 0.819 1.00 0.00 C ATOM 535 C PRO A 33 -11.924 0.692 0.305 1.00 0.00 C ATOM 536 O PRO A 33 -12.024 -0.256 1.083 1.00 0.00 O ATOM 537 CB PRO A 33 -13.344 2.666 0.923 1.00 0.00 C ATOM 538 CG PRO A 33 -13.570 3.393 -0.358 1.00 0.00 C ATOM 539 CD PRO A 33 -12.237 3.970 -0.747 1.00 0.00 C ATOM 0 HA PRO A 33 -11.390 2.083 1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.064 1.857 1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.455 3.330 1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.943 2.719 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.315 4.179 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.114 4.003 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.118 4.990 -0.381 1.00 0.00 H new ATOM 547 N ASN A 34 -11.817 0.539 -1.012 1.00 0.00 N ATOM 548 CA ASN A 34 -11.813 -0.782 -1.630 1.00 0.00 C ATOM 549 C ASN A 34 -10.715 -0.885 -2.684 1.00 0.00 C ATOM 550 O ASN A 34 -10.796 -1.702 -3.601 1.00 0.00 O ATOM 551 CB ASN A 34 -13.174 -1.076 -2.264 1.00 0.00 C ATOM 552 CG ASN A 34 -14.317 -0.916 -1.281 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.490 0.145 -0.680 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.104 -1.972 -1.112 1.00 0.00 N ATOM 0 H ASN A 34 -11.732 1.313 -1.671 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.616 -1.520 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.330 -0.407 -3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.176 -2.093 -2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.889 -1.924 -0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.923 -2.831 -1.631 1.00 0.00 H new ATOM 561 N ILE A 35 -9.688 -0.053 -2.545 1.00 0.00 N ATOM 562 CA ILE A 35 -8.574 -0.052 -3.484 1.00 0.00 C ATOM 563 C ILE A 35 -7.533 0.995 -3.100 1.00 0.00 C ATOM 564 O ILE A 35 -7.713 1.740 -2.137 1.00 0.00 O ATOM 565 CB ILE A 35 -9.050 0.217 -4.923 1.00 0.00 C ATOM 566 CG1 ILE A 35 -8.029 -0.318 -5.930 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.281 1.706 -5.135 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.654 -0.841 -7.204 1.00 0.00 C ATOM 0 H ILE A 35 -9.605 0.629 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.123 -1.043 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.995 -0.303 -5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.326 0.477 -6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.454 -1.117 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.617 1.880 -6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.041 2.059 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.351 2.247 -4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.872 -1.204 -7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.336 -1.658 -6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.206 -0.039 -7.694 1.00 0.00 H new ATOM 580 N ILE A 36 -6.445 1.046 -3.862 1.00 0.00 N ATOM 581 CA ILE A 36 -5.377 2.004 -3.604 1.00 0.00 C ATOM 582 C ILE A 36 -4.660 2.389 -4.893 1.00 0.00 C ATOM 583 O ILE A 36 -3.871 1.613 -5.432 1.00 0.00 O ATOM 584 CB ILE A 36 -4.347 1.443 -2.605 1.00 0.00 C ATOM 585 CG1 ILE A 36 -5.008 1.184 -1.249 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.177 2.403 -2.456 1.00 0.00 C ATOM 587 CD1 ILE A 36 -4.038 0.728 -0.182 1.00 0.00 C ATOM 0 H ILE A 36 -6.280 0.436 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.845 2.889 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.968 0.496 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.501 2.096 -0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.784 0.428 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.458 1.993 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.694 2.541 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.539 3.364 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.575 0.564 0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.563 -0.201 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.276 1.493 -0.032 1.00 0.00 H new ATOM 599 N SER A 37 -4.940 3.592 -5.383 1.00 0.00 N ATOM 600 CA SER A 37 -4.324 4.080 -6.611 1.00 0.00 C ATOM 601 C SER A 37 -3.406 5.265 -6.324 1.00 0.00 C ATOM 602 O SER A 37 -3.685 6.083 -5.448 1.00 0.00 O ATOM 603 CB SER A 37 -5.400 4.487 -7.620 1.00 0.00 C ATOM 604 OG SER A 37 -6.315 3.428 -7.843 1.00 0.00 O ATOM 0 H SER A 37 -5.590 4.247 -4.948 1.00 0.00 H new ATOM 0 HA SER A 37 -3.726 3.273 -7.034 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.935 5.363 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.931 4.771 -8.562 1.00 0.00 H new ATOM 0 HG SER A 37 -6.994 3.713 -8.490 1.00 0.00 H new ATOM 610 N TYR A 38 -2.309 5.349 -7.069 1.00 0.00 N ATOM 611 CA TYR A 38 -1.348 6.431 -6.895 1.00 0.00 C ATOM 612 C TYR A 38 -1.048 7.113 -8.226 1.00 0.00 C ATOM 613 O TYR A 38 -0.623 6.468 -9.185 1.00 0.00 O ATOM 614 CB TYR A 38 -0.053 5.897 -6.279 1.00 0.00 C ATOM 615 CG TYR A 38 0.582 4.782 -7.079 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.009 3.527 -7.149 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.773 4.984 -7.764 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.568 2.505 -7.877 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.357 3.968 -8.496 1.00 0.00 C ATOM 620 CZ TYR A 38 1.751 2.730 -8.549 1.00 0.00 C ATOM 621 OH TYR A 38 2.329 1.715 -9.277 1.00 0.00 O ATOM 0 H TYR A 38 -2.064 4.680 -7.799 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.786 7.167 -6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.659 6.716 -6.184 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.261 5.537 -5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.936 3.347 -6.625 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.251 5.952 -7.724 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.095 1.535 -7.920 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.283 4.142 -9.024 1.00 0.00 H new ATOM 0 HH TYR A 38 3.157 2.039 -9.690 1.00 0.00 H new ATOM 631 N TYR A 39 -1.271 8.422 -8.276 1.00 0.00 N ATOM 632 CA TYR A 39 -1.027 9.193 -9.489 1.00 0.00 C ATOM 633 C TYR A 39 0.301 9.938 -9.403 1.00 0.00 C ATOM 634 O TYR A 39 0.773 10.267 -8.314 1.00 0.00 O ATOM 635 CB TYR A 39 -2.167 10.185 -9.726 1.00 0.00 C ATOM 636 CG TYR A 39 -3.531 9.536 -9.788 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.204 9.177 -8.626 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.147 9.281 -11.007 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.451 8.584 -8.678 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.394 8.689 -11.068 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.041 8.342 -9.900 1.00 0.00 C ATOM 642 OH TYR A 39 -7.283 7.751 -9.957 1.00 0.00 O ATOM 0 H TYR A 39 -1.620 8.971 -7.490 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.979 8.498 -10.327 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.163 10.927 -8.928 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.985 10.719 -10.659 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.745 9.365 -7.667 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.642 9.550 -11.923 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.961 8.311 -7.766 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.859 8.499 -12.024 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.556 7.652 -10.893 1.00 0.00 H new ATOM 652 N VAL A 40 0.900 10.203 -10.560 1.00 0.00 N ATOM 653 CA VAL A 40 2.173 10.911 -10.617 1.00 0.00 C ATOM 654 C VAL A 40 2.186 12.097 -9.659 1.00 0.00 C ATOM 655 O VAL A 40 3.182 12.351 -8.983 1.00 0.00 O ATOM 656 CB VAL A 40 2.473 11.413 -12.042 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.761 12.221 -12.064 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.550 10.244 -13.013 1.00 0.00 C ATOM 0 H VAL A 40 0.524 9.938 -11.470 1.00 0.00 H new ATOM 0 HA VAL A 40 2.944 10.200 -10.320 1.00 0.00 H new ATOM 0 HB VAL A 40 1.659 12.065 -12.358 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.956 12.567 -13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.663 13.080 -11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.588 11.596 -11.728 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.763 10.617 -14.015 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.344 9.565 -12.702 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.599 9.712 -13.018 1.00 0.00 H new ATOM 668 N SER A 41 1.072 12.820 -9.607 1.00 0.00 N ATOM 669 CA SER A 41 0.956 13.982 -8.734 1.00 0.00 C ATOM 670 C SER A 41 -0.430 14.048 -8.099 1.00 0.00 C ATOM 671 O SER A 41 -1.254 13.154 -8.288 1.00 0.00 O ATOM 672 CB SER A 41 1.231 15.266 -9.519 1.00 0.00 C ATOM 673 OG SER A 41 2.622 15.514 -9.621 1.00 0.00 O ATOM 0 H SER A 41 0.237 12.622 -10.159 1.00 0.00 H new ATOM 0 HA SER A 41 1.696 13.884 -7.940 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.799 15.186 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.744 16.108 -9.027 1.00 0.00 H new ATOM 0 HG SER A 41 3.115 14.682 -9.464 1.00 0.00 H new ATOM 679 N GLU A 42 -0.679 15.115 -7.345 1.00 0.00 N ATOM 680 CA GLU A 42 -1.964 15.297 -6.681 1.00 0.00 C ATOM 681 C GLU A 42 -2.983 15.920 -7.631 1.00 0.00 C ATOM 682 O GLU A 42 -3.839 16.701 -7.214 1.00 0.00 O ATOM 683 CB GLU A 42 -1.802 16.177 -5.440 1.00 0.00 C ATOM 684 CG GLU A 42 -1.558 17.642 -5.761 1.00 0.00 C ATOM 685 CD GLU A 42 -1.156 18.448 -4.541 1.00 0.00 C ATOM 686 OE1 GLU A 42 -1.897 18.413 -3.536 1.00 0.00 O ATOM 687 OE2 GLU A 42 -0.100 19.113 -4.591 1.00 0.00 O ATOM 0 H GLU A 42 -0.008 15.865 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.329 14.316 -6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.698 16.093 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.970 15.801 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.776 17.719 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.462 18.071 -6.193 1.00 0.00 H new ATOM 694 N ASP A 43 -2.884 15.570 -8.908 1.00 0.00 N ATOM 695 CA ASP A 43 -3.797 16.093 -9.918 1.00 0.00 C ATOM 696 C ASP A 43 -4.819 15.037 -10.327 1.00 0.00 C ATOM 697 O ASP A 43 -5.922 15.363 -10.767 1.00 0.00 O ATOM 698 CB ASP A 43 -3.016 16.568 -11.145 1.00 0.00 C ATOM 699 CG ASP A 43 -1.839 15.668 -11.466 1.00 0.00 C ATOM 700 OD1 ASP A 43 -1.967 14.438 -11.290 1.00 0.00 O ATOM 701 OD2 ASP A 43 -0.790 16.193 -11.893 1.00 0.00 O ATOM 0 H ASP A 43 -2.180 14.926 -9.269 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.330 16.940 -9.486 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.685 16.607 -12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.657 17.583 -10.973 1.00 0.00 H new ATOM 706 N LEU A 44 -4.445 13.771 -10.180 1.00 0.00 N ATOM 707 CA LEU A 44 -5.328 12.666 -10.535 1.00 0.00 C ATOM 708 C LEU A 44 -5.630 12.669 -12.030 1.00 0.00 C ATOM 709 O LEU A 44 -6.766 12.440 -12.446 1.00 0.00 O ATOM 710 CB LEU A 44 -6.632 12.754 -9.740 1.00 0.00 C ATOM 711 CG LEU A 44 -6.489 13.050 -8.247 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.841 13.390 -7.638 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.860 11.867 -7.526 1.00 0.00 C ATOM 0 H LEU A 44 -3.536 13.484 -9.817 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.820 11.734 -10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.254 13.530 -10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.168 11.811 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.833 13.912 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.719 13.598 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.253 14.268 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.521 12.548 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.766 12.096 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.490 10.987 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.873 11.670 -7.943 1.00 0.00 H new ATOM 725 N LYS A 45 -4.605 12.927 -12.835 1.00 0.00 N ATOM 726 CA LYS A 45 -4.758 12.956 -14.284 1.00 0.00 C ATOM 727 C LYS A 45 -4.002 11.802 -14.935 1.00 0.00 C ATOM 728 O LYS A 45 -4.520 11.135 -15.830 1.00 0.00 O ATOM 729 CB LYS A 45 -4.255 14.289 -14.844 1.00 0.00 C ATOM 730 CG LYS A 45 -4.913 15.502 -14.210 1.00 0.00 C ATOM 731 CD LYS A 45 -6.161 15.920 -14.971 1.00 0.00 C ATOM 732 CE LYS A 45 -5.818 16.795 -16.167 1.00 0.00 C ATOM 733 NZ LYS A 45 -5.496 18.191 -15.759 1.00 0.00 N ATOM 0 H LYS A 45 -3.658 13.119 -12.508 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.818 12.848 -14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.177 14.352 -14.696 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.431 14.311 -15.919 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.174 15.277 -13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.205 16.331 -14.187 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.696 15.033 -15.310 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.831 16.461 -14.303 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.968 16.367 -16.698 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.657 16.804 -16.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.368 18.780 -16.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.275 18.574 -15.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.620 18.196 -15.198 1.00 0.00 H new ATOM 747 N ASP A 46 -2.776 11.571 -14.477 1.00 0.00 N ATOM 748 CA ASP A 46 -1.950 10.496 -15.013 1.00 0.00 C ATOM 749 C ASP A 46 -1.817 9.359 -14.004 1.00 0.00 C ATOM 750 O ASP A 46 -0.927 9.370 -13.153 1.00 0.00 O ATOM 751 CB ASP A 46 -0.565 11.026 -15.388 1.00 0.00 C ATOM 752 CG ASP A 46 -0.552 11.701 -16.745 1.00 0.00 C ATOM 753 OD1 ASP A 46 -1.286 11.240 -17.644 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.193 12.690 -16.910 1.00 0.00 O ATOM 0 H ASP A 46 -2.333 12.114 -13.736 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.437 10.109 -15.908 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.233 11.735 -14.630 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.148 10.202 -15.388 1.00 0.00 H new ATOM 759 N LYS A 47 -2.708 8.379 -14.104 1.00 0.00 N ATOM 760 CA LYS A 47 -2.691 7.234 -13.201 1.00 0.00 C ATOM 761 C LYS A 47 -1.561 6.275 -13.560 1.00 0.00 C ATOM 762 O LYS A 47 -1.237 6.091 -14.734 1.00 0.00 O ATOM 763 CB LYS A 47 -4.033 6.499 -13.251 1.00 0.00 C ATOM 764 CG LYS A 47 -4.248 5.546 -12.089 1.00 0.00 C ATOM 765 CD LYS A 47 -5.571 4.810 -12.209 1.00 0.00 C ATOM 766 CE LYS A 47 -5.524 3.751 -13.300 1.00 0.00 C ATOM 767 NZ LYS A 47 -5.938 4.299 -14.622 1.00 0.00 N ATOM 0 H LYS A 47 -3.452 8.354 -14.802 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.523 7.603 -12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.839 7.232 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.097 5.940 -14.185 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.431 4.825 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.224 6.102 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.815 4.341 -11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.366 5.523 -12.427 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.513 3.350 -13.373 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.178 2.922 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.827 3.850 -14.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.078 5.327 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.198 4.103 -15.326 1.00 0.00 H new ATOM 781 N LYS A 48 -0.964 5.664 -12.542 1.00 0.00 N ATOM 782 CA LYS A 48 0.128 4.721 -12.749 1.00 0.00 C ATOM 783 C LYS A 48 -0.378 3.283 -12.706 1.00 0.00 C ATOM 784 O LYS A 48 -0.004 2.457 -13.538 1.00 0.00 O ATOM 785 CB LYS A 48 1.212 4.923 -11.688 1.00 0.00 C ATOM 786 CG LYS A 48 2.129 6.100 -11.972 1.00 0.00 C ATOM 787 CD LYS A 48 3.173 5.754 -13.020 1.00 0.00 C ATOM 788 CE LYS A 48 3.668 6.996 -13.745 1.00 0.00 C ATOM 789 NZ LYS A 48 4.827 7.620 -13.049 1.00 0.00 N ATOM 0 H LYS A 48 -1.219 5.806 -11.565 1.00 0.00 H new ATOM 0 HA LYS A 48 0.553 4.908 -13.735 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.737 5.069 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.811 4.015 -11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.537 6.949 -12.313 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.625 6.407 -11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.014 5.250 -12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.749 5.055 -13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.955 6.732 -14.763 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.857 7.720 -13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.188 8.412 -13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.525 7.971 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.579 6.913 -12.924 1.00 0.00 H new ATOM 803 N GLY A 49 -1.234 2.990 -11.731 1.00 0.00 N ATOM 804 CA GLY A 49 -1.779 1.652 -11.599 1.00 0.00 C ATOM 805 C GLY A 49 -2.871 1.572 -10.551 1.00 0.00 C ATOM 806 O GLY A 49 -3.468 2.585 -10.188 1.00 0.00 O ATOM 0 H GLY A 49 -1.559 3.656 -11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.178 1.329 -12.561 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.978 0.961 -11.338 1.00 0.00 H new ATOM 810 N ASP A 50 -3.135 0.364 -10.065 1.00 0.00 N ATOM 811 CA ASP A 50 -4.164 0.155 -9.053 1.00 0.00 C ATOM 812 C ASP A 50 -3.867 -1.091 -8.225 1.00 0.00 C ATOM 813 O ASP A 50 -3.506 -2.137 -8.767 1.00 0.00 O ATOM 814 CB ASP A 50 -5.539 0.028 -9.712 1.00 0.00 C ATOM 815 CG ASP A 50 -5.611 -1.134 -10.682 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.800 -2.279 -10.223 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.478 -0.898 -11.902 1.00 0.00 O ATOM 0 H ASP A 50 -2.651 -0.485 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.166 1.019 -8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.298 -0.099 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.773 0.953 -10.240 1.00 0.00 H new ATOM 822 N ILE A 51 -4.019 -0.972 -6.911 1.00 0.00 N ATOM 823 CA ILE A 51 -3.766 -2.088 -6.008 1.00 0.00 C ATOM 824 C ILE A 51 -5.069 -2.643 -5.442 1.00 0.00 C ATOM 825 O ILE A 51 -5.663 -2.059 -4.534 1.00 0.00 O ATOM 826 CB ILE A 51 -2.848 -1.674 -4.843 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.527 -1.120 -5.379 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.597 -2.857 -3.920 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.698 -0.412 -4.329 1.00 0.00 C ATOM 0 H ILE A 51 -4.316 -0.114 -6.447 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.268 -2.861 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.343 -0.890 -4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.943 -1.939 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.737 -0.426 -6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.947 -2.548 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.545 -3.211 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.119 -3.661 -4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.224 -0.045 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.263 0.428 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.457 -1.108 -3.525 1.00 0.00 H new ATOM 841 N LEU A 52 -5.508 -3.775 -5.982 1.00 0.00 N ATOM 842 CA LEU A 52 -6.740 -4.411 -5.529 1.00 0.00 C ATOM 843 C LEU A 52 -6.643 -4.800 -4.057 1.00 0.00 C ATOM 844 O LEU A 52 -5.992 -5.785 -3.707 1.00 0.00 O ATOM 845 CB LEU A 52 -7.041 -5.648 -6.377 1.00 0.00 C ATOM 846 CG LEU A 52 -6.920 -5.469 -7.891 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.975 -6.816 -8.594 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.016 -4.550 -8.409 1.00 0.00 C ATOM 0 H LEU A 52 -5.029 -4.271 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.553 -3.694 -5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.366 -6.447 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.054 -5.982 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.956 -5.009 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.887 -6.668 -9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.154 -7.442 -8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.923 -7.304 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.914 -4.434 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.991 -4.981 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.930 -3.575 -7.930 1.00 0.00 H new ATOM 860 N LEU A 53 -7.297 -4.024 -3.201 1.00 0.00 N ATOM 861 CA LEU A 53 -7.286 -4.289 -1.766 1.00 0.00 C ATOM 862 C LEU A 53 -8.092 -5.541 -1.438 1.00 0.00 C ATOM 863 O LEU A 53 -9.164 -5.767 -2.000 1.00 0.00 O ATOM 864 CB LEU A 53 -7.852 -3.090 -1.002 1.00 0.00 C ATOM 865 CG LEU A 53 -6.884 -1.931 -0.760 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.577 -0.805 -0.009 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.658 -2.410 0.004 1.00 0.00 C ATOM 0 H LEU A 53 -7.842 -3.206 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.253 -4.453 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.714 -2.709 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.218 -3.439 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.557 -1.548 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.873 0.011 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.422 -0.443 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.933 -1.174 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.980 -1.572 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.966 -2.820 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.148 -3.182 -0.573 1.00 0.00 H new ATOM 879 N ASP A 54 -7.571 -6.352 -0.524 1.00 0.00 N ATOM 880 CA ASP A 54 -8.243 -7.580 -0.118 1.00 0.00 C ATOM 881 C ASP A 54 -7.697 -8.084 1.215 1.00 0.00 C ATOM 882 O ASP A 54 -6.516 -7.915 1.515 1.00 0.00 O ATOM 883 CB ASP A 54 -8.076 -8.657 -1.191 1.00 0.00 C ATOM 884 CG ASP A 54 -8.427 -8.152 -2.577 1.00 0.00 C ATOM 885 OD1 ASP A 54 -9.632 -7.987 -2.861 1.00 0.00 O ATOM 886 OD2 ASP A 54 -7.497 -7.921 -3.377 1.00 0.00 O ATOM 0 H ASP A 54 -6.684 -6.181 -0.050 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.304 -7.361 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.046 -9.013 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.709 -9.510 -0.947 1.00 0.00 H new ATOM 891 N GLU A 55 -8.566 -8.702 2.009 1.00 0.00 N ATOM 892 CA GLU A 55 -8.169 -9.228 3.310 1.00 0.00 C ATOM 893 C GLU A 55 -6.735 -9.748 3.273 1.00 0.00 C ATOM 894 O GLU A 55 -5.984 -9.595 4.235 1.00 0.00 O ATOM 895 CB GLU A 55 -9.119 -10.347 3.743 1.00 0.00 C ATOM 896 CG GLU A 55 -9.192 -11.499 2.755 1.00 0.00 C ATOM 897 CD GLU A 55 -9.964 -12.686 3.298 1.00 0.00 C ATOM 898 OE1 GLU A 55 -9.391 -13.445 4.108 1.00 0.00 O ATOM 899 OE2 GLU A 55 -11.140 -12.856 2.915 1.00 0.00 O ATOM 0 H GLU A 55 -9.548 -8.850 1.775 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.223 -8.415 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.798 -10.730 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.118 -9.932 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.663 -11.154 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.181 -11.815 2.496 1.00 0.00 H new ATOM 906 N ASN A 56 -6.365 -10.364 2.155 1.00 0.00 N ATOM 907 CA ASN A 56 -5.022 -10.909 1.992 1.00 0.00 C ATOM 908 C ASN A 56 -3.968 -9.819 2.164 1.00 0.00 C ATOM 909 O ASN A 56 -3.082 -9.924 3.013 1.00 0.00 O ATOM 910 CB ASN A 56 -4.877 -11.561 0.616 1.00 0.00 C ATOM 911 CG ASN A 56 -6.127 -12.310 0.197 1.00 0.00 C ATOM 912 OD1 ASN A 56 -6.913 -11.822 -0.616 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.318 -13.501 0.751 1.00 0.00 N ATOM 0 H ASN A 56 -6.976 -10.498 1.349 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.868 -11.664 2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.651 -10.794 -0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.032 -12.249 0.630 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.142 -14.050 0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.641 -13.867 1.420 1.00 0.00 H new ATOM 920 N CYS A 57 -4.071 -8.771 1.353 1.00 0.00 N ATOM 921 CA CYS A 57 -3.128 -7.661 1.414 1.00 0.00 C ATOM 922 C CYS A 57 -3.092 -7.054 2.813 1.00 0.00 C ATOM 923 O CYS A 57 -4.100 -7.039 3.520 1.00 0.00 O ATOM 924 CB CYS A 57 -3.505 -6.588 0.390 1.00 0.00 C ATOM 925 SG CYS A 57 -3.248 -7.090 -1.342 1.00 0.00 S ATOM 0 H CYS A 57 -4.799 -8.668 0.646 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.136 -8.046 1.179 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.553 -6.321 0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.919 -5.690 0.588 1.00 0.00 H new ATOM 930 N CYS A 58 -1.925 -6.555 3.206 1.00 0.00 N ATOM 931 CA CYS A 58 -1.757 -5.947 4.521 1.00 0.00 C ATOM 932 C CYS A 58 -0.521 -5.054 4.553 1.00 0.00 C ATOM 933 O CYS A 58 0.379 -5.193 3.725 1.00 0.00 O ATOM 934 CB CYS A 58 -1.648 -7.030 5.596 1.00 0.00 C ATOM 935 SG CYS A 58 -3.241 -7.641 6.193 1.00 0.00 S ATOM 0 H CYS A 58 -1.081 -6.560 2.633 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.633 -5.331 4.724 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.077 -7.868 5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.084 -6.633 6.440 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.089 -7.674 5.209 1.00 0.00 H new ATOM 941 N VAL A 59 -0.485 -4.137 5.514 1.00 0.00 N ATOM 942 CA VAL A 59 0.640 -3.220 5.655 1.00 0.00 C ATOM 943 C VAL A 59 1.492 -3.578 6.867 1.00 0.00 C ATOM 944 O VAL A 59 0.970 -3.965 7.912 1.00 0.00 O ATOM 945 CB VAL A 59 0.163 -1.762 5.788 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.837 -1.629 6.927 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.348 -0.831 5.997 1.00 0.00 C ATOM 0 H VAL A 59 -1.222 -4.009 6.207 1.00 0.00 H new ATOM 0 HA VAL A 59 1.241 -3.316 4.751 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.336 -1.475 4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.163 -0.592 7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.699 -2.266 6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.366 -1.933 7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.993 0.195 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.877 -1.115 6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.024 -0.906 5.145 1.00 0.00 H new ATOM 957 N GLU A 60 2.807 -3.444 6.720 1.00 0.00 N ATOM 958 CA GLU A 60 3.732 -3.754 7.804 1.00 0.00 C ATOM 959 C GLU A 60 4.780 -2.655 7.956 1.00 0.00 C ATOM 960 O GLU A 60 5.024 -1.883 7.028 1.00 0.00 O ATOM 961 CB GLU A 60 4.418 -5.098 7.550 1.00 0.00 C ATOM 962 CG GLU A 60 5.375 -5.079 6.369 1.00 0.00 C ATOM 963 CD GLU A 60 6.254 -6.313 6.311 1.00 0.00 C ATOM 964 OE1 GLU A 60 6.773 -6.721 7.371 1.00 0.00 O ATOM 965 OE2 GLU A 60 6.423 -6.870 5.207 1.00 0.00 O ATOM 0 H GLU A 60 3.255 -3.123 5.862 1.00 0.00 H new ATOM 0 HA GLU A 60 3.160 -3.816 8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.965 -5.392 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.656 -5.858 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.803 -5.001 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.005 -4.191 6.431 1.00 0.00 H new ATOM 972 N SER A 61 5.395 -2.591 9.132 1.00 0.00 N ATOM 973 CA SER A 61 6.414 -1.585 9.408 1.00 0.00 C ATOM 974 C SER A 61 7.801 -2.098 9.032 1.00 0.00 C ATOM 975 O SER A 61 8.104 -3.280 9.198 1.00 0.00 O ATOM 976 CB SER A 61 6.386 -1.193 10.886 1.00 0.00 C ATOM 977 OG SER A 61 6.886 -2.240 11.701 1.00 0.00 O ATOM 0 H SER A 61 5.206 -3.224 9.909 1.00 0.00 H new ATOM 0 HA SER A 61 6.195 -0.706 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.982 -0.293 11.038 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.365 -0.953 11.183 1.00 0.00 H new ATOM 0 HG SER A 61 6.859 -1.964 12.641 1.00 0.00 H new ATOM 983 N LEU A 62 8.639 -1.201 8.524 1.00 0.00 N ATOM 984 CA LEU A 62 9.994 -1.562 8.123 1.00 0.00 C ATOM 985 C LEU A 62 11.026 -0.834 8.979 1.00 0.00 C ATOM 986 O LEU A 62 10.792 0.269 9.474 1.00 0.00 O ATOM 987 CB LEU A 62 10.216 -1.232 6.646 1.00 0.00 C ATOM 988 CG LEU A 62 9.255 -1.895 5.659 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.257 -1.154 4.331 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.624 -3.358 5.457 1.00 0.00 C ATOM 0 H LEU A 62 8.404 -0.219 8.380 1.00 0.00 H new ATOM 0 HA LEU A 62 10.117 -2.635 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.145 -0.151 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.234 -1.518 6.379 1.00 0.00 H new ATOM 0 HG LEU A 62 8.248 -1.849 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.567 -1.641 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.944 -0.122 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.262 -1.167 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.930 -3.814 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.638 -3.426 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.569 -3.882 6.411 1.00 0.00 H new ATOM 1002 N PRO A 63 12.198 -1.463 9.156 1.00 0.00 N ATOM 1003 CA PRO A 63 13.290 -0.892 9.950 1.00 0.00 C ATOM 1004 C PRO A 63 13.930 0.315 9.272 1.00 0.00 C ATOM 1005 O PRO A 63 13.370 0.880 8.332 1.00 0.00 O ATOM 1006 CB PRO A 63 14.295 -2.043 10.050 1.00 0.00 C ATOM 1007 CG PRO A 63 14.024 -2.888 8.853 1.00 0.00 C ATOM 1008 CD PRO A 63 12.546 -2.779 8.596 1.00 0.00 C ATOM 0 HA PRO A 63 12.943 -0.525 10.916 1.00 0.00 H new ATOM 0 HB2 PRO A 63 15.321 -1.674 10.050 1.00 0.00 H new ATOM 0 HB3 PRO A 63 14.159 -2.608 10.972 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.596 -2.541 7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.314 -3.923 9.032 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.318 -2.836 7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.993 -3.582 9.084 1.00 0.00 H new ATOM 1016 N ASP A 64 15.104 0.706 9.754 1.00 0.00 N ATOM 1017 CA ASP A 64 15.820 1.845 9.194 1.00 0.00 C ATOM 1018 C ASP A 64 16.862 1.386 8.179 1.00 0.00 C ATOM 1019 O ASP A 64 17.700 0.534 8.475 1.00 0.00 O ATOM 1020 CB ASP A 64 16.494 2.649 10.307 1.00 0.00 C ATOM 1021 CG ASP A 64 15.656 2.706 11.569 1.00 0.00 C ATOM 1022 OD1 ASP A 64 14.581 3.343 11.539 1.00 0.00 O ATOM 1023 OD2 ASP A 64 16.073 2.114 12.585 1.00 0.00 O ATOM 0 H ASP A 64 15.580 0.250 10.532 1.00 0.00 H new ATOM 0 HA ASP A 64 15.097 2.481 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.462 2.204 10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.684 3.663 9.955 1.00 0.00 H new ATOM 1028 N LYS A 65 16.804 1.956 6.980 1.00 0.00 N ATOM 1029 CA LYS A 65 17.742 1.607 5.920 1.00 0.00 C ATOM 1030 C LYS A 65 17.987 2.796 4.996 1.00 0.00 C ATOM 1031 O LYS A 65 17.165 3.710 4.914 1.00 0.00 O ATOM 1032 CB LYS A 65 17.212 0.421 5.112 1.00 0.00 C ATOM 1033 CG LYS A 65 16.051 0.777 4.199 1.00 0.00 C ATOM 1034 CD LYS A 65 15.595 -0.422 3.384 1.00 0.00 C ATOM 1035 CE LYS A 65 14.635 -1.299 4.173 1.00 0.00 C ATOM 1036 NZ LYS A 65 15.354 -2.336 4.963 1.00 0.00 N ATOM 0 H LYS A 65 16.116 2.662 6.718 1.00 0.00 H new ATOM 0 HA LYS A 65 18.688 1.329 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.023 0.010 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.895 -0.364 5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.219 1.150 4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.348 1.583 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.109 -0.079 2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.462 -1.010 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.043 -0.677 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.938 -1.782 3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.960 -3.273 4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.365 -2.320 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.241 -2.140 5.978 1.00 0.00 H new ATOM 1050 N ASP A 66 19.120 2.777 4.302 1.00 0.00 N ATOM 1051 CA ASP A 66 19.471 3.853 3.382 1.00 0.00 C ATOM 1052 C ASP A 66 19.202 5.216 4.012 1.00 0.00 C ATOM 1053 O ASP A 66 18.811 6.161 3.328 1.00 0.00 O ATOM 1054 CB ASP A 66 18.682 3.715 2.079 1.00 0.00 C ATOM 1055 CG ASP A 66 19.316 4.484 0.935 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.448 5.720 1.053 1.00 0.00 O ATOM 1057 OD2 ASP A 66 19.678 3.849 -0.078 1.00 0.00 O ATOM 0 H ASP A 66 19.811 2.029 4.359 1.00 0.00 H new ATOM 0 HA ASP A 66 20.536 3.778 3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.612 2.661 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.664 4.073 2.234 1.00 0.00 H new ATOM 1062 N GLY A 67 19.414 5.310 5.321 1.00 0.00 N ATOM 1063 CA GLY A 67 19.189 6.561 6.022 1.00 0.00 C ATOM 1064 C GLY A 67 17.738 6.996 5.978 1.00 0.00 C ATOM 1065 O GLY A 67 17.439 8.161 5.715 1.00 0.00 O ATOM 0 H GLY A 67 19.738 4.542 5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.502 6.453 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.812 7.339 5.580 1.00 0.00 H new ATOM 1069 N LYS A 68 16.832 6.058 6.235 1.00 0.00 N ATOM 1070 CA LYS A 68 15.404 6.350 6.224 1.00 0.00 C ATOM 1071 C LYS A 68 14.790 6.115 7.601 1.00 0.00 C ATOM 1072 O LYS A 68 15.339 5.377 8.419 1.00 0.00 O ATOM 1073 CB LYS A 68 14.693 5.483 5.183 1.00 0.00 C ATOM 1074 CG LYS A 68 14.800 6.022 3.767 1.00 0.00 C ATOM 1075 CD LYS A 68 14.037 7.326 3.608 1.00 0.00 C ATOM 1076 CE LYS A 68 13.516 7.498 2.190 1.00 0.00 C ATOM 1077 NZ LYS A 68 13.160 8.914 1.897 1.00 0.00 N ATOM 0 H LYS A 68 17.062 5.089 6.454 1.00 0.00 H new ATOM 0 HA LYS A 68 15.276 7.400 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.112 4.477 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.640 5.397 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.849 6.180 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.411 5.284 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.202 7.348 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.688 8.163 3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.272 7.160 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.640 6.866 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.809 8.989 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.420 9.229 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.002 9.514 2.009 1.00 0.00 H new ATOM 1091 N LYS A 69 13.648 6.746 7.850 1.00 0.00 N ATOM 1092 CA LYS A 69 12.957 6.604 9.126 1.00 0.00 C ATOM 1093 C LYS A 69 11.451 6.480 8.918 1.00 0.00 C ATOM 1094 O LYS A 69 10.883 7.114 8.028 1.00 0.00 O ATOM 1095 CB LYS A 69 13.261 7.801 10.030 1.00 0.00 C ATOM 1096 CG LYS A 69 14.744 8.016 10.276 1.00 0.00 C ATOM 1097 CD LYS A 69 15.366 8.896 9.205 1.00 0.00 C ATOM 1098 CE LYS A 69 16.857 9.086 9.437 1.00 0.00 C ATOM 1099 NZ LYS A 69 17.136 10.253 10.319 1.00 0.00 N ATOM 0 H LYS A 69 13.181 7.361 7.184 1.00 0.00 H new ATOM 0 HA LYS A 69 13.316 5.694 9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.842 8.701 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.759 7.659 10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.889 8.475 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.253 7.053 10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.203 8.448 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.871 9.867 9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.273 8.184 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.359 9.226 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.163 10.349 10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.762 11.118 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.679 10.108 11.242 1.00 0.00 H new ATOM 1113 N CYS A 70 10.810 5.661 9.745 1.00 0.00 N ATOM 1114 CA CYS A 70 9.369 5.455 9.652 1.00 0.00 C ATOM 1115 C CYS A 70 8.992 4.848 8.305 1.00 0.00 C ATOM 1116 O CYS A 70 8.086 5.332 7.625 1.00 0.00 O ATOM 1117 CB CYS A 70 8.629 6.778 9.854 1.00 0.00 C ATOM 1118 SG CYS A 70 8.669 7.394 11.553 1.00 0.00 S ATOM 0 H CYS A 70 11.265 5.129 10.487 1.00 0.00 H new ATOM 0 HA CYS A 70 9.075 4.759 10.438 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.065 7.530 9.196 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.590 6.651 9.549 1.00 0.00 H new ATOM 0 HG CYS A 70 9.045 8.638 11.555 1.00 0.00 H new ATOM 1124 N LEU A 71 9.694 3.787 7.923 1.00 0.00 N ATOM 1125 CA LEU A 71 9.435 3.113 6.655 1.00 0.00 C ATOM 1126 C LEU A 71 8.325 2.078 6.805 1.00 0.00 C ATOM 1127 O LEU A 71 8.194 1.440 7.851 1.00 0.00 O ATOM 1128 CB LEU A 71 10.710 2.441 6.142 1.00 0.00 C ATOM 1129 CG LEU A 71 11.644 3.321 5.310 1.00 0.00 C ATOM 1130 CD1 LEU A 71 13.064 2.778 5.351 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.148 3.417 3.875 1.00 0.00 C ATOM 0 H LEU A 71 10.447 3.374 8.473 1.00 0.00 H new ATOM 0 HA LEU A 71 9.112 3.863 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.267 2.063 6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.425 1.578 5.541 1.00 0.00 H new ATOM 0 HG LEU A 71 11.648 4.323 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.715 3.416 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.418 2.762 6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.078 1.766 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.825 4.047 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.115 2.421 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.149 3.852 3.864 1.00 0.00 H new ATOM 1143 N PHE A 72 7.530 1.913 5.753 1.00 0.00 N ATOM 1144 CA PHE A 72 6.432 0.953 5.768 1.00 0.00 C ATOM 1145 C PHE A 72 6.215 0.354 4.381 1.00 0.00 C ATOM 1146 O PHE A 72 6.231 1.066 3.375 1.00 0.00 O ATOM 1147 CB PHE A 72 5.146 1.625 6.252 1.00 0.00 C ATOM 1148 CG PHE A 72 4.526 2.538 5.234 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.708 2.032 4.237 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.762 3.903 5.273 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.136 2.870 3.298 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.193 4.746 4.338 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.379 4.229 3.349 1.00 0.00 C ATOM 0 H PHE A 72 7.625 2.431 4.880 1.00 0.00 H new ATOM 0 HA PHE A 72 6.694 0.149 6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.424 0.855 6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.362 2.195 7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.515 0.970 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.398 4.313 6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.500 2.463 2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.384 5.808 4.380 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.933 4.886 2.617 1.00 0.00 H new ATOM 1163 N LEU A 73 6.014 -0.958 4.335 1.00 0.00 N ATOM 1164 CA LEU A 73 5.794 -1.654 3.072 1.00 0.00 C ATOM 1165 C LEU A 73 4.479 -2.426 3.097 1.00 0.00 C ATOM 1166 O LEU A 73 4.022 -2.860 4.155 1.00 0.00 O ATOM 1167 CB LEU A 73 6.954 -2.610 2.785 1.00 0.00 C ATOM 1168 CG LEU A 73 6.740 -3.601 1.641 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.069 -3.985 1.011 1.00 0.00 C ATOM 1170 CD2 LEU A 73 6.006 -4.838 2.138 1.00 0.00 C ATOM 0 H LEU A 73 5.999 -1.561 5.157 1.00 0.00 H new ATOM 0 HA LEU A 73 5.741 -0.908 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.841 -2.017 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.166 -3.174 3.693 1.00 0.00 H new ATOM 0 HG LEU A 73 6.126 -3.120 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.896 -4.691 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.557 -3.093 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.708 -4.447 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.862 -5.533 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.594 -5.321 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.036 -4.548 2.541 1.00 0.00 H new ATOM 1182 N VAL A 74 3.875 -2.596 1.925 1.00 0.00 N ATOM 1183 CA VAL A 74 2.614 -3.318 1.812 1.00 0.00 C ATOM 1184 C VAL A 74 2.816 -4.674 1.145 1.00 0.00 C ATOM 1185 O VAL A 74 3.410 -4.769 0.071 1.00 0.00 O ATOM 1186 CB VAL A 74 1.576 -2.513 1.009 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.316 -3.336 0.788 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.252 -1.206 1.717 1.00 0.00 C ATOM 0 H VAL A 74 4.239 -2.243 1.040 1.00 0.00 H new ATOM 0 HA VAL A 74 2.242 -3.466 2.826 1.00 0.00 H new ATOM 0 HB VAL A 74 2.001 -2.276 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.406 -2.750 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.565 -4.242 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.116 -3.607 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.517 -0.650 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.847 -1.419 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.160 -0.612 1.817 1.00 0.00 H new ATOM 1198 N LYS A 75 2.316 -5.724 1.789 1.00 0.00 N ATOM 1199 CA LYS A 75 2.439 -7.077 1.259 1.00 0.00 C ATOM 1200 C LYS A 75 1.112 -7.556 0.679 1.00 0.00 C ATOM 1201 O LYS A 75 0.118 -7.681 1.395 1.00 0.00 O ATOM 1202 CB LYS A 75 2.905 -8.037 2.356 1.00 0.00 C ATOM 1203 CG LYS A 75 3.742 -9.193 1.837 1.00 0.00 C ATOM 1204 CD LYS A 75 5.185 -8.776 1.605 1.00 0.00 C ATOM 1205 CE LYS A 75 6.140 -9.943 1.805 1.00 0.00 C ATOM 1206 NZ LYS A 75 7.563 -9.523 1.675 1.00 0.00 N ATOM 0 H LYS A 75 1.822 -5.664 2.679 1.00 0.00 H new ATOM 0 HA LYS A 75 3.180 -7.062 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.486 -7.480 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.032 -8.435 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.710 -10.016 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.315 -9.563 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.294 -8.384 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.446 -7.969 2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.979 -10.380 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.922 -10.720 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.182 -10.346 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.723 -9.130 0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.778 -8.800 2.391 1.00 0.00 H new ATOM 1220 N CYS A 76 1.103 -7.825 -0.623 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.101 -8.292 -1.299 1.00 0.00 C ATOM 1222 C CYS A 76 0.091 -9.708 -1.836 1.00 0.00 C ATOM 1223 O CYS A 76 1.174 -10.283 -1.727 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.467 -7.346 -2.444 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.575 -5.984 -1.959 1.00 0.00 S ATOM 0 H CYS A 76 1.917 -7.727 -1.230 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.914 -8.305 -0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.448 -6.925 -2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.942 -7.921 -3.238 1.00 0.00 H new ATOM 1230 N PHE A 77 -0.968 -10.264 -2.414 1.00 0.00 N ATOM 1231 CA PHE A 77 -0.917 -11.612 -2.968 1.00 0.00 C ATOM 1232 C PHE A 77 0.495 -11.958 -3.429 1.00 0.00 C ATOM 1233 O PHE A 77 1.192 -12.747 -2.792 1.00 0.00 O ATOM 1234 CB PHE A 77 -1.895 -11.743 -4.137 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.276 -12.161 -3.721 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.480 -13.354 -3.046 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.371 -11.360 -4.004 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -4.750 -13.740 -2.661 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.643 -11.742 -3.621 1.00 0.00 C ATOM 1240 CZ PHE A 77 -5.833 -12.934 -2.949 1.00 0.00 C ATOM 0 H PHE A 77 -1.872 -9.802 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.205 -12.312 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.955 -10.788 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.503 -12.470 -4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.637 -13.989 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.229 -10.427 -4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.895 -14.672 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.488 -11.109 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.826 -13.234 -2.650 1.00 0.00 H new ATOM 1250 N ASP A 78 0.910 -11.362 -4.542 1.00 0.00 N ATOM 1251 CA ASP A 78 2.239 -11.605 -5.089 1.00 0.00 C ATOM 1252 C ASP A 78 2.996 -10.295 -5.282 1.00 0.00 C ATOM 1253 O ASP A 78 4.222 -10.251 -5.176 1.00 0.00 O ATOM 1254 CB ASP A 78 2.137 -12.350 -6.421 1.00 0.00 C ATOM 1255 CG ASP A 78 1.019 -11.819 -7.297 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -0.161 -12.052 -6.959 1.00 0.00 O ATOM 1257 OD2 ASP A 78 1.323 -11.172 -8.321 1.00 0.00 O ATOM 0 H ASP A 78 0.345 -10.707 -5.083 1.00 0.00 H new ATOM 0 HA ASP A 78 2.790 -12.221 -4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.084 -12.266 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.972 -13.410 -6.229 1.00 0.00 H new ATOM 1262 N LYS A 79 2.257 -9.228 -5.568 1.00 0.00 N ATOM 1263 CA LYS A 79 2.857 -7.915 -5.776 1.00 0.00 C ATOM 1264 C LYS A 79 3.127 -7.223 -4.444 1.00 0.00 C ATOM 1265 O LYS A 79 2.457 -7.491 -3.446 1.00 0.00 O ATOM 1266 CB LYS A 79 1.941 -7.044 -6.639 1.00 0.00 C ATOM 1267 CG LYS A 79 2.052 -7.333 -8.126 1.00 0.00 C ATOM 1268 CD LYS A 79 0.741 -7.060 -8.846 1.00 0.00 C ATOM 1269 CE LYS A 79 -0.257 -8.188 -8.632 1.00 0.00 C ATOM 1270 NZ LYS A 79 -1.403 -8.100 -9.578 1.00 0.00 N ATOM 0 H LYS A 79 1.241 -9.247 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 79 3.807 -8.055 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.908 -7.194 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.179 -5.995 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.841 -6.718 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.340 -8.374 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.315 -6.123 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.929 -6.936 -9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.246 -9.147 -8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.628 -8.155 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.061 -8.886 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.898 -7.196 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.052 -8.157 -10.555 1.00 0.00 H new ATOM 1284 N THR A 80 4.112 -6.329 -4.435 1.00 0.00 N ATOM 1285 CA THR A 80 4.470 -5.599 -3.226 1.00 0.00 C ATOM 1286 C THR A 80 4.677 -4.117 -3.520 1.00 0.00 C ATOM 1287 O THR A 80 5.057 -3.742 -4.629 1.00 0.00 O ATOM 1288 CB THR A 80 5.750 -6.167 -2.584 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.648 -6.622 -3.603 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.419 -7.315 -1.642 1.00 0.00 C ATOM 0 H THR A 80 4.675 -6.094 -5.252 1.00 0.00 H new ATOM 0 HA THR A 80 3.640 -5.716 -2.529 1.00 0.00 H new ATOM 0 HB THR A 80 6.226 -5.373 -2.009 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.460 -6.980 -3.187 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.338 -7.700 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.759 -6.958 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.923 -8.110 -2.198 1.00 0.00 H new ATOM 1298 N PHE A 81 4.425 -3.279 -2.520 1.00 0.00 N ATOM 1299 CA PHE A 81 4.584 -1.838 -2.672 1.00 0.00 C ATOM 1300 C PHE A 81 5.325 -1.243 -1.477 1.00 0.00 C ATOM 1301 O PHE A 81 4.821 -1.253 -0.355 1.00 0.00 O ATOM 1302 CB PHE A 81 3.218 -1.166 -2.825 1.00 0.00 C ATOM 1303 CG PHE A 81 2.557 -1.446 -4.144 1.00 0.00 C ATOM 1304 CD1 PHE A 81 2.087 -2.715 -4.443 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.406 -0.441 -5.085 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.478 -2.976 -5.656 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.797 -0.695 -6.299 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.333 -1.965 -6.586 1.00 0.00 C ATOM 0 H PHE A 81 4.110 -3.573 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 81 5.174 -1.656 -3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.564 -1.503 -2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.337 -0.089 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.198 -3.509 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.768 0.553 -4.867 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.116 -3.969 -5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.684 0.098 -7.023 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.858 -2.166 -7.535 1.00 0.00 H new ATOM 1318 N GLU A 82 6.524 -0.728 -1.729 1.00 0.00 N ATOM 1319 CA GLU A 82 7.335 -0.131 -0.674 1.00 0.00 C ATOM 1320 C GLU A 82 7.232 1.391 -0.705 1.00 0.00 C ATOM 1321 O GLU A 82 7.746 2.040 -1.616 1.00 0.00 O ATOM 1322 CB GLU A 82 8.797 -0.557 -0.821 1.00 0.00 C ATOM 1323 CG GLU A 82 9.587 -0.479 0.475 1.00 0.00 C ATOM 1324 CD GLU A 82 10.897 -1.239 0.406 1.00 0.00 C ATOM 1325 OE1 GLU A 82 11.374 -1.501 -0.718 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.446 -1.572 1.478 1.00 0.00 O ATOM 0 H GLU A 82 6.955 -0.712 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 82 6.956 -0.485 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.833 -1.579 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.277 0.075 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.789 0.566 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.982 -0.878 1.289 1.00 0.00 H new ATOM 1333 N ILE A 83 6.564 1.953 0.297 1.00 0.00 N ATOM 1334 CA ILE A 83 6.394 3.398 0.385 1.00 0.00 C ATOM 1335 C ILE A 83 7.106 3.962 1.611 1.00 0.00 C ATOM 1336 O ILE A 83 7.278 3.270 2.614 1.00 0.00 O ATOM 1337 CB ILE A 83 4.905 3.787 0.447 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.139 3.141 -0.710 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.751 5.300 0.411 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.691 2.846 -0.385 1.00 0.00 C ATOM 0 H ILE A 83 6.132 1.430 1.059 1.00 0.00 H new ATOM 0 HA ILE A 83 6.835 3.823 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 83 4.487 3.421 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.181 3.801 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.636 2.213 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.693 5.559 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.268 5.739 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.181 5.688 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.210 2.389 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.640 2.162 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.178 3.774 -0.133 1.00 0.00 H new ATOM 1352 N SER A 84 7.516 5.223 1.522 1.00 0.00 N ATOM 1353 CA SER A 84 8.211 5.880 2.623 1.00 0.00 C ATOM 1354 C SER A 84 7.511 7.178 3.010 1.00 0.00 C ATOM 1355 O SER A 84 7.162 7.988 2.152 1.00 0.00 O ATOM 1356 CB SER A 84 9.664 6.166 2.238 1.00 0.00 C ATOM 1357 OG SER A 84 9.765 6.550 0.878 1.00 0.00 O ATOM 0 H SER A 84 7.379 5.810 0.699 1.00 0.00 H new ATOM 0 HA SER A 84 8.195 5.209 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.063 6.957 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.272 5.279 2.415 1.00 0.00 H new ATOM 0 HG SER A 84 9.516 5.795 0.305 1.00 0.00 H new ATOM 1363 N ALA A 85 7.308 7.369 4.310 1.00 0.00 N ATOM 1364 CA ALA A 85 6.651 8.569 4.813 1.00 0.00 C ATOM 1365 C ALA A 85 7.673 9.603 5.272 1.00 0.00 C ATOM 1366 O ALA A 85 8.879 9.361 5.225 1.00 0.00 O ATOM 1367 CB ALA A 85 5.706 8.216 5.952 1.00 0.00 C ATOM 0 H ALA A 85 7.589 6.708 5.034 1.00 0.00 H new ATOM 0 HA ALA A 85 6.073 9.005 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.223 9.122 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.948 7.520 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.270 7.753 6.762 1.00 0.00 H new ATOM 1373 N SER A 86 7.183 10.756 5.715 1.00 0.00 N ATOM 1374 CA SER A 86 8.055 11.829 6.179 1.00 0.00 C ATOM 1375 C SER A 86 7.906 12.038 7.683 1.00 0.00 C ATOM 1376 O SER A 86 8.883 11.972 8.429 1.00 0.00 O ATOM 1377 CB SER A 86 7.737 13.130 5.438 1.00 0.00 C ATOM 1378 OG SER A 86 8.811 14.048 5.536 1.00 0.00 O ATOM 0 H SER A 86 6.187 10.971 5.763 1.00 0.00 H new ATOM 0 HA SER A 86 9.086 11.542 5.970 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.533 12.914 4.389 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.833 13.577 5.853 1.00 0.00 H new ATOM 0 HG SER A 86 8.584 14.870 5.053 1.00 0.00 H new ATOM 1384 N ASP A 87 6.678 12.291 8.120 1.00 0.00 N ATOM 1385 CA ASP A 87 6.399 12.509 9.535 1.00 0.00 C ATOM 1386 C ASP A 87 5.767 11.270 10.162 1.00 0.00 C ATOM 1387 O ASP A 87 5.008 10.550 9.512 1.00 0.00 O ATOM 1388 CB ASP A 87 5.475 13.714 9.715 1.00 0.00 C ATOM 1389 CG ASP A 87 6.216 15.033 9.610 1.00 0.00 C ATOM 1390 OD1 ASP A 87 7.156 15.121 8.792 1.00 0.00 O ATOM 1391 OD2 ASP A 87 5.857 15.976 10.346 1.00 0.00 O ATOM 0 H ASP A 87 5.859 12.350 7.515 1.00 0.00 H new ATOM 0 HA ASP A 87 7.345 12.707 10.040 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.689 13.681 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.986 13.651 10.687 1.00 0.00 H new ATOM 1396 N LYS A 88 6.087 11.026 11.428 1.00 0.00 N ATOM 1397 CA LYS A 88 5.551 9.874 12.144 1.00 0.00 C ATOM 1398 C LYS A 88 4.036 9.793 11.989 1.00 0.00 C ATOM 1399 O LYS A 88 3.483 8.720 11.746 1.00 0.00 O ATOM 1400 CB LYS A 88 5.919 9.954 13.627 1.00 0.00 C ATOM 1401 CG LYS A 88 7.415 10.020 13.881 1.00 0.00 C ATOM 1402 CD LYS A 88 7.742 9.814 15.350 1.00 0.00 C ATOM 1403 CE LYS A 88 7.599 8.355 15.753 1.00 0.00 C ATOM 1404 NZ LYS A 88 8.727 7.526 15.245 1.00 0.00 N ATOM 0 H LYS A 88 6.715 11.611 11.980 1.00 0.00 H new ATOM 0 HA LYS A 88 5.991 8.974 11.714 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.446 10.834 14.063 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.510 9.084 14.141 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.920 9.260 13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.798 10.987 13.554 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.760 10.149 15.548 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.080 10.428 15.961 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.555 8.281 16.840 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.658 7.963 15.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.676 6.576 15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.664 7.451 14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.630 7.971 15.506 1.00 0.00 H new ATOM 1418 N LYS A 89 3.370 10.934 12.129 1.00 0.00 N ATOM 1419 CA LYS A 89 1.918 10.994 12.002 1.00 0.00 C ATOM 1420 C LYS A 89 1.462 10.380 10.682 1.00 0.00 C ATOM 1421 O LYS A 89 0.501 9.612 10.642 1.00 0.00 O ATOM 1422 CB LYS A 89 1.437 12.443 12.095 1.00 0.00 C ATOM 1423 CG LYS A 89 0.007 12.579 12.589 1.00 0.00 C ATOM 1424 CD LYS A 89 -0.102 12.272 14.073 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.300 12.969 14.700 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.027 14.408 14.966 1.00 0.00 N ATOM 0 H LYS A 89 3.813 11.831 12.331 1.00 0.00 H new ATOM 0 HA LYS A 89 1.483 10.420 12.820 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.098 12.994 12.764 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.519 12.908 11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.350 13.591 12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.638 11.903 12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.190 11.195 14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.810 12.588 14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.161 12.879 14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.563 12.471 15.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.867 14.848 15.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.222 14.494 15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.801 14.889 14.072 1.00 0.00 H new ATOM 1440 N LYS A 90 2.159 10.722 9.603 1.00 0.00 N ATOM 1441 CA LYS A 90 1.828 10.203 8.282 1.00 0.00 C ATOM 1442 C LYS A 90 2.021 8.691 8.227 1.00 0.00 C ATOM 1443 O LYS A 90 1.079 7.943 7.963 1.00 0.00 O ATOM 1444 CB LYS A 90 2.694 10.877 7.215 1.00 0.00 C ATOM 1445 CG LYS A 90 2.290 12.311 6.921 1.00 0.00 C ATOM 1446 CD LYS A 90 2.698 12.730 5.518 1.00 0.00 C ATOM 1447 CE LYS A 90 2.273 14.158 5.216 1.00 0.00 C ATOM 1448 NZ LYS A 90 2.635 14.564 3.830 1.00 0.00 N ATOM 0 H LYS A 90 2.957 11.357 9.618 1.00 0.00 H new ATOM 0 HA LYS A 90 0.779 10.425 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.734 10.861 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.639 10.297 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.211 12.416 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.753 12.977 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.779 12.641 5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.249 12.054 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.196 14.253 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.745 14.835 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.328 15.544 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.666 14.498 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.164 13.934 3.150 1.00 0.00 H new ATOM 1462 N LYS A 91 3.248 8.246 8.479 1.00 0.00 N ATOM 1463 CA LYS A 91 3.565 6.823 8.462 1.00 0.00 C ATOM 1464 C LYS A 91 2.480 6.015 9.168 1.00 0.00 C ATOM 1465 O LYS A 91 1.831 5.167 8.558 1.00 0.00 O ATOM 1466 CB LYS A 91 4.918 6.573 9.130 1.00 0.00 C ATOM 1467 CG LYS A 91 5.249 5.100 9.302 1.00 0.00 C ATOM 1468 CD LYS A 91 4.484 4.489 10.464 1.00 0.00 C ATOM 1469 CE LYS A 91 5.246 3.326 11.082 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.336 3.793 11.983 1.00 0.00 N ATOM 0 H LYS A 91 4.039 8.851 8.698 1.00 0.00 H new ATOM 0 HA LYS A 91 3.615 6.500 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.700 7.045 8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.926 7.055 10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.009 4.563 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.320 4.984 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.302 5.251 11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.509 4.144 10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.555 2.697 11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.669 2.708 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.831 2.971 12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.009 4.373 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.930 4.362 12.753 1.00 0.00 H new ATOM 1484 N GLN A 92 2.290 6.286 10.455 1.00 0.00 N ATOM 1485 CA GLN A 92 1.283 5.585 11.242 1.00 0.00 C ATOM 1486 C GLN A 92 -0.094 5.706 10.598 1.00 0.00 C ATOM 1487 O GLN A 92 -0.656 4.720 10.124 1.00 0.00 O ATOM 1488 CB GLN A 92 1.243 6.138 12.668 1.00 0.00 C ATOM 1489 CG GLN A 92 0.173 5.500 13.538 1.00 0.00 C ATOM 1490 CD GLN A 92 0.308 5.878 15.000 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.407 7.057 15.342 1.00 0.00 O ATOM 1492 NE2 GLN A 92 0.313 4.877 15.873 1.00 0.00 N ATOM 0 H GLN A 92 2.820 6.986 10.975 1.00 0.00 H new ATOM 0 HA GLN A 92 1.556 4.530 11.277 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.216 5.987 13.135 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.072 7.214 12.627 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.810 5.802 13.178 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.229 4.416 13.440 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.228 3.915 15.546 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.401 5.071 16.871 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.631 6.922 10.586 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.943 7.171 10.001 1.00 0.00 C ATOM 1503 C GLU A 93 -2.149 6.324 8.748 1.00 0.00 C ATOM 1504 O GLU A 93 -3.161 5.637 8.611 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.100 8.654 9.659 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.297 9.542 10.876 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.755 9.681 11.267 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.516 8.710 11.072 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -4.136 10.759 11.769 1.00 0.00 O ATOM 0 H GLU A 93 -0.178 7.749 10.974 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.699 6.893 10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.216 8.988 9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.951 8.776 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.737 9.130 11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.884 10.530 10.671 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.184 6.381 7.838 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.260 5.620 6.596 1.00 0.00 C ATOM 1518 C TRP A 94 -1.449 4.133 6.879 1.00 0.00 C ATOM 1519 O TRP A 94 -2.425 3.527 6.435 1.00 0.00 O ATOM 1520 CB TRP A 94 0.005 5.836 5.763 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.101 6.989 4.811 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.403 8.246 4.988 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.753 6.991 3.536 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.103 9.030 3.899 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.604 8.283 2.994 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.445 6.027 2.799 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.124 8.632 1.751 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -1.961 6.376 1.565 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.798 7.669 1.051 1.00 0.00 C ATOM 0 H TRP A 94 -0.340 6.946 7.936 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.123 5.976 6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.848 6.003 6.433 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.220 4.928 5.200 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.956 8.576 5.855 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.364 10.009 3.784 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.575 5.027 3.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.000 9.628 1.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.499 5.639 0.987 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.212 7.910 0.083 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.511 3.552 7.619 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.576 2.137 7.961 1.00 0.00 C ATOM 1542 C ILE A 95 -1.912 1.789 8.609 1.00 0.00 C ATOM 1543 O ILE A 95 -2.623 0.898 8.147 1.00 0.00 O ATOM 1544 CB ILE A 95 0.565 1.735 8.914 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.922 1.969 8.248 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.418 0.280 9.332 1.00 0.00 C ATOM 1547 CD1 ILE A 95 3.088 1.434 9.049 1.00 0.00 C ATOM 0 H ILE A 95 0.303 4.040 7.993 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.472 1.582 7.029 1.00 0.00 H new ATOM 0 HB ILE A 95 0.508 2.357 9.807 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.921 1.499 7.265 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.060 3.039 8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.232 0.011 10.005 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.535 0.142 9.842 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.452 -0.358 8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.018 1.635 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.115 1.922 10.023 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.973 0.359 9.185 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.246 2.500 9.681 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.497 2.267 10.392 1.00 0.00 C ATOM 1561 C GLN A 96 -4.688 2.358 9.443 1.00 0.00 C ATOM 1562 O GLN A 96 -5.591 1.524 9.483 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.658 3.278 11.529 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.063 2.810 12.848 1.00 0.00 C ATOM 1565 CD GLN A 96 -4.036 1.985 13.667 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.853 0.780 13.841 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -5.078 2.631 14.176 1.00 0.00 N ATOM 0 H GLN A 96 -1.668 3.242 10.076 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.465 1.261 10.811 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.185 4.216 11.239 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.718 3.486 11.672 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.169 2.219 12.650 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.749 3.677 13.429 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.191 3.631 14.007 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.766 2.128 14.736 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.682 3.378 8.591 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.760 3.577 7.630 1.00 0.00 C ATOM 1578 C ALA A 97 -5.885 2.383 6.690 1.00 0.00 C ATOM 1579 O ALA A 97 -6.960 1.797 6.555 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.531 4.854 6.837 1.00 0.00 C ATOM 0 H ALA A 97 -3.943 4.079 8.547 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.694 3.669 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.344 4.990 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.500 5.705 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.585 4.784 6.300 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.780 2.028 6.042 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.767 0.904 5.114 1.00 0.00 C ATOM 1588 C ILE A 98 -5.198 -0.385 5.807 1.00 0.00 C ATOM 1589 O ILE A 98 -6.083 -1.094 5.327 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.372 0.699 4.497 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.880 1.997 3.853 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.404 -0.426 3.474 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.377 2.062 3.695 1.00 0.00 C ATOM 0 H ILE A 98 -3.883 2.502 6.143 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.475 1.142 4.320 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.678 0.422 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.345 2.106 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.210 2.841 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.410 -0.558 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.716 -1.351 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.109 -0.177 2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.100 3.009 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.905 1.985 4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.041 1.238 3.065 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.567 -0.682 6.939 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.887 -1.885 7.699 1.00 0.00 C ATOM 1607 C HIS A 99 -6.387 -1.980 7.960 1.00 0.00 C ATOM 1608 O HIS A 99 -7.015 -2.996 7.665 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.125 -1.892 9.025 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.933 -3.263 9.598 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.949 -3.564 10.515 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.606 -4.416 9.379 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -3.024 -4.843 10.835 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.022 -5.383 10.159 1.00 0.00 N ATOM 0 H HIS A 99 -3.832 -0.107 7.350 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.584 -2.750 7.109 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.149 -1.429 8.876 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.663 -1.277 9.747 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.446 -4.551 8.714 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.379 -5.359 11.531 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.312 -6.360 10.208 1.00 0.00 H new ATOM 1623 N SER A 100 -6.955 -0.915 8.517 1.00 0.00 N ATOM 1624 CA SER A 100 -8.380 -0.880 8.822 1.00 0.00 C ATOM 1625 C SER A 100 -9.211 -1.074 7.557 1.00 0.00 C ATOM 1626 O SER A 100 -10.107 -1.918 7.511 1.00 0.00 O ATOM 1627 CB SER A 100 -8.748 0.446 9.489 1.00 0.00 C ATOM 1628 OG SER A 100 -8.054 0.611 10.713 1.00 0.00 O ATOM 0 H SER A 100 -6.450 -0.065 8.766 1.00 0.00 H new ATOM 0 HA SER A 100 -8.600 -1.697 9.509 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.511 1.272 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.822 0.480 9.669 1.00 0.00 H new ATOM 0 HG SER A 100 -7.140 0.915 10.532 1.00 0.00 H new ATOM 1634 N THR A 101 -8.908 -0.285 6.530 1.00 0.00 N ATOM 1635 CA THR A 101 -9.626 -0.368 5.265 1.00 0.00 C ATOM 1636 C THR A 101 -9.741 -1.812 4.791 1.00 0.00 C ATOM 1637 O THR A 101 -10.790 -2.232 4.300 1.00 0.00 O ATOM 1638 CB THR A 101 -8.934 0.466 4.171 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.902 1.846 4.552 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.656 0.319 2.840 1.00 0.00 C ATOM 0 H THR A 101 -8.170 0.419 6.550 1.00 0.00 H new ATOM 0 HA THR A 101 -10.624 0.034 5.441 1.00 0.00 H new ATOM 0 HB THR A 101 -7.914 0.098 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.257 1.970 5.279 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.149 0.917 2.083 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.652 -0.728 2.538 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.685 0.663 2.944 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.659 -2.567 4.942 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.640 -3.965 4.531 1.00 0.00 C ATOM 1650 C ILE A 102 -9.635 -4.790 5.340 1.00 0.00 C ATOM 1651 O ILE A 102 -10.275 -5.702 4.815 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.236 -4.579 4.686 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.225 -3.819 3.825 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.258 -6.053 4.311 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.790 -4.019 4.259 1.00 0.00 C ATOM 0 H ILE A 102 -7.784 -2.234 5.346 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.923 -3.988 3.479 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.932 -4.495 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.330 -4.138 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.461 -2.755 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.259 -6.473 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.952 -6.584 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.580 -6.160 3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.129 -3.451 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.669 -3.673 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.536 -5.077 4.201 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.763 -4.462 6.622 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.683 -5.171 7.504 1.00 0.00 C ATOM 1669 C HIS A 103 -12.116 -5.070 6.989 1.00 0.00 C ATOM 1670 O HIS A 103 -12.880 -6.033 7.059 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.598 -4.607 8.923 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.609 -5.192 9.861 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.961 -5.188 9.820 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -11.264 -5.879 11.006 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -13.405 -5.866 10.929 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -12.361 -6.274 11.627 1.00 0.00 N flip ATOM 0 H HIS A 103 -9.241 -3.710 7.073 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.395 -6.222 7.520 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.599 -4.790 9.319 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.733 -3.526 8.884 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.255 -6.065 11.342 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -14.439 -6.037 11.188 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -12.396 -6.804 12.498 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.473 -3.899 6.474 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.814 -3.672 5.947 1.00 0.00 C ATOM 1687 C LEU A 104 -14.122 -4.636 4.806 1.00 0.00 C ATOM 1688 O LEU A 104 -15.283 -4.949 4.539 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.956 -2.228 5.462 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.605 -1.141 6.479 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.559 0.222 5.808 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.607 -1.140 7.625 1.00 0.00 C ATOM 0 H LEU A 104 -11.853 -3.092 6.410 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.528 -3.850 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.322 -2.096 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.985 -2.075 5.137 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.617 -1.356 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.308 0.983 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.803 0.216 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.533 0.446 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.342 -0.360 8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.607 -0.950 7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.591 -2.109 8.123 1.00 0.00 H new ATOM 1704 N LEU A 105 -13.074 -5.106 4.137 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.232 -6.037 3.025 1.00 0.00 C ATOM 1706 C LEU A 105 -13.450 -7.459 3.533 1.00 0.00 C ATOM 1707 O LEU A 105 -14.140 -8.258 2.898 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.002 -5.991 2.117 1.00 0.00 C ATOM 1709 CG LEU A 105 -11.988 -4.885 1.061 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.636 -4.827 0.368 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.101 -5.103 0.047 1.00 0.00 C ATOM 0 H LEU A 105 -12.107 -4.858 4.345 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.110 -5.736 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.117 -5.879 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.914 -6.952 1.609 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.159 -3.930 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.644 -4.034 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.858 -4.623 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.435 -5.782 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.076 -4.307 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.961 -6.065 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.064 -5.094 0.557 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.860 -7.769 4.682 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.992 -9.093 5.278 1.00 0.00 C ATOM 1725 C LYS A 106 -14.451 -9.401 5.602 1.00 0.00 C ATOM 1726 O LYS A 106 -14.928 -10.512 5.369 1.00 0.00 O ATOM 1727 CB LYS A 106 -12.145 -9.190 6.549 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.653 -9.285 6.279 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.846 -9.158 7.560 1.00 0.00 C ATOM 1730 CE LYS A 106 -8.410 -8.745 7.276 1.00 0.00 C ATOM 1731 NZ LYS A 106 -8.256 -7.265 7.233 1.00 0.00 N ATOM 0 H LYS A 106 -12.285 -7.120 5.220 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.636 -9.826 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.338 -8.317 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.459 -10.064 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.429 -10.238 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.358 -8.500 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.314 -8.423 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.854 -10.109 8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.755 -9.156 8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.091 -9.171 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.283 -7.025 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.923 -6.867 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.454 -6.868 8.174 1.00 0.00 H new