USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 95 TYR OH : rot -82:sc= 1.35 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.67 K(o=3,f=-1.7) USER MOD Set 2.1: A 50 MET CE :methyl 164:sc= -0.0254 (180deg=-0.054) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.473 USER MOD Set 2.3: A 101 HEC O2D : rot -9:sc= 0.522 USER MOD Set 3.1: A 46 TYR OH : rot -130:sc= 0.222 USER MOD Set 3.2: A 101 HEC O2A : rot 97:sc= 0.233 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -147:sc= 0.069 (180deg=0) USER MOD Set 4.2: A 23 ASN : amide:sc= 0.971 K(o=1,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.37 (180deg=0.528) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.206) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= 0.256 (180deg=0.16) USER MOD Single : A 29 HIS : no HE2:sc= 0.202 K(o=0.2,f=-1.3) USER MOD Single : A 31 ASN : amide:sc= 0.0335 X(o=0.033,f=-0.024) USER MOD Single : A 37 THR OG1 : rot -49:sc= 1.26 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -159:sc= 0.944 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.31) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00148 USER MOD Single : A 63 GLN : amide:sc= 0.0224 X(o=0.022,f=0) USER MOD Single : A 67 THR OG1 : rot 95:sc= 1.18 USER MOD Single : A 68 ASN : amide:sc= 0.345 K(o=0.35,f=-3.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 149:sc= 0.322 (180deg=0.0408) USER MOD Single : A 78 MET CE :methyl -177:sc= 0 (180deg=-0.0228) USER MOD Single : A 85 LYS NZ :NH3+ 158:sc= 0.155 (180deg=0.0436) USER MOD Single : A 91 ASN : amide:sc= 0.637 K(o=0.64,f=-5.1!) USER MOD Single : A 100 GLN : amide:sc= 0.0149 K(o=0.015,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.803 -1.500 0.228 1.00 0.00 N ATOM 2 CA MET A 1 3.475 -2.060 -1.110 1.00 0.00 C ATOM 3 C MET A 1 2.124 -1.454 -1.597 1.00 0.00 C ATOM 4 O MET A 1 1.061 -1.828 -1.098 1.00 0.00 O ATOM 5 CB MET A 1 3.442 -3.613 -1.074 1.00 0.00 C ATOM 6 CG MET A 1 4.780 -4.333 -0.791 1.00 0.00 C ATOM 7 SD MET A 1 5.265 -4.132 0.938 1.00 0.00 S ATOM 8 CE MET A 1 6.554 -5.384 1.053 1.00 0.00 C ATOM 0 H1 MET A 1 4.526 -2.092 0.684 1.00 0.00 H new ATOM 0 H2 MET A 1 4.166 -0.532 0.119 1.00 0.00 H new ATOM 0 H3 MET A 1 2.946 -1.484 0.817 1.00 0.00 H new ATOM 0 HA MET A 1 4.254 -1.787 -1.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.724 -3.920 -0.314 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.062 -3.967 -2.032 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.684 -5.393 -1.025 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.558 -3.932 -1.440 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.963 -5.393 2.063 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.132 -6.363 0.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.348 -5.155 0.342 1.00 0.00 H new ATOM 19 N ALA A 2 2.167 -0.497 -2.542 1.00 0.00 N ATOM 20 CA ALA A 2 0.983 0.328 -2.910 1.00 0.00 C ATOM 21 C ALA A 2 0.451 0.052 -4.356 1.00 0.00 C ATOM 22 O ALA A 2 0.721 0.811 -5.292 1.00 0.00 O ATOM 23 CB ALA A 2 1.433 1.788 -2.675 1.00 0.00 C ATOM 0 H ALA A 2 3.009 -0.269 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 2 0.115 0.079 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.616 2.465 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.708 1.920 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.293 2.010 -3.307 1.00 0.00 H new ATOM 29 N ASP A 3 -0.341 -1.022 -4.530 1.00 0.00 N ATOM 30 CA ASP A 3 -0.935 -1.399 -5.844 1.00 0.00 C ATOM 31 C ASP A 3 -2.498 -1.190 -5.840 1.00 0.00 C ATOM 32 O ASP A 3 -3.195 -1.995 -5.207 1.00 0.00 O ATOM 33 CB ASP A 3 -0.504 -2.859 -6.147 1.00 0.00 C ATOM 34 CG ASP A 3 -0.865 -3.347 -7.550 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.985 -3.735 -7.869 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.189 -3.290 -8.408 1.00 0.00 O ATOM 0 H ASP A 3 -0.592 -1.657 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.569 -0.755 -6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.575 -2.941 -6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.967 -3.521 -5.415 1.00 0.00 H new ATOM 41 N PRO A 4 -3.101 -0.199 -6.568 1.00 0.00 N ATOM 42 CA PRO A 4 -4.584 -0.055 -6.679 1.00 0.00 C ATOM 43 C PRO A 4 -5.433 -1.231 -7.264 1.00 0.00 C ATOM 44 O PRO A 4 -6.556 -1.447 -6.805 1.00 0.00 O ATOM 45 CB PRO A 4 -4.743 1.241 -7.499 1.00 0.00 C ATOM 46 CG PRO A 4 -3.451 2.023 -7.264 1.00 0.00 C ATOM 47 CD PRO A 4 -2.376 0.941 -7.165 1.00 0.00 C ATOM 0 HA PRO A 4 -5.003 -0.046 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.884 1.023 -8.558 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.613 1.810 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.248 2.713 -8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.504 2.617 -6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.966 0.690 -8.143 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.541 1.259 -6.541 1.00 0.00 H new ATOM 55 N ALA A 5 -4.914 -1.992 -8.247 1.00 0.00 N ATOM 56 CA ALA A 5 -5.581 -3.223 -8.764 1.00 0.00 C ATOM 57 C ALA A 5 -5.721 -4.402 -7.740 1.00 0.00 C ATOM 58 O ALA A 5 -6.822 -4.935 -7.570 1.00 0.00 O ATOM 59 CB ALA A 5 -4.846 -3.633 -10.054 1.00 0.00 C ATOM 0 H ALA A 5 -4.029 -1.781 -8.708 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.624 -2.981 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.305 -4.532 -10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.914 -2.826 -10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.798 -3.831 -9.828 1.00 0.00 H new ATOM 65 N ALA A 6 -4.648 -4.755 -7.003 1.00 0.00 N ATOM 66 CA ALA A 6 -4.763 -5.548 -5.748 1.00 0.00 C ATOM 67 C ALA A 6 -5.651 -4.926 -4.615 1.00 0.00 C ATOM 68 O ALA A 6 -6.433 -5.652 -3.997 1.00 0.00 O ATOM 69 CB ALA A 6 -3.329 -5.840 -5.275 1.00 0.00 C ATOM 0 H ALA A 6 -3.690 -4.507 -7.250 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.311 -6.462 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.361 -6.422 -4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.801 -6.405 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.808 -4.900 -5.093 1.00 0.00 H new ATOM 75 N GLY A 7 -5.590 -3.599 -4.382 1.00 0.00 N ATOM 76 CA GLY A 7 -6.578 -2.876 -3.535 1.00 0.00 C ATOM 77 C GLY A 7 -8.080 -2.965 -3.893 1.00 0.00 C ATOM 78 O GLY A 7 -8.897 -3.091 -2.984 1.00 0.00 O ATOM 0 H GLY A 7 -4.863 -2.997 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.461 -3.237 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.302 -1.822 -3.535 1.00 0.00 H new ATOM 82 N GLU A 8 -8.446 -2.946 -5.186 1.00 0.00 N ATOM 83 CA GLU A 8 -9.805 -3.341 -5.668 1.00 0.00 C ATOM 84 C GLU A 8 -10.262 -4.782 -5.247 1.00 0.00 C ATOM 85 O GLU A 8 -11.363 -4.941 -4.714 1.00 0.00 O ATOM 86 CB GLU A 8 -9.833 -3.101 -7.206 1.00 0.00 C ATOM 87 CG GLU A 8 -11.226 -3.105 -7.890 1.00 0.00 C ATOM 88 CD GLU A 8 -11.832 -4.488 -8.138 1.00 0.00 C ATOM 89 OE1 GLU A 8 -11.334 -5.331 -8.877 1.00 0.00 O ATOM 90 OE2 GLU A 8 -12.984 -4.688 -7.438 1.00 0.00 O ATOM 0 H GLU A 8 -7.817 -2.658 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.551 -2.719 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.358 -2.141 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.219 -3.867 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.916 -2.530 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.144 -2.586 -8.845 1.00 0.00 H new ATOM 97 N LYS A 9 -9.409 -5.809 -5.432 1.00 0.00 N ATOM 98 CA LYS A 9 -9.622 -7.171 -4.855 1.00 0.00 C ATOM 99 C LYS A 9 -9.763 -7.225 -3.290 1.00 0.00 C ATOM 100 O LYS A 9 -10.709 -7.840 -2.792 1.00 0.00 O ATOM 101 CB LYS A 9 -8.512 -8.132 -5.367 1.00 0.00 C ATOM 102 CG LYS A 9 -8.425 -8.311 -6.904 1.00 0.00 C ATOM 103 CD LYS A 9 -7.486 -9.442 -7.370 1.00 0.00 C ATOM 104 CE LYS A 9 -5.991 -9.131 -7.185 1.00 0.00 C ATOM 105 NZ LYS A 9 -5.175 -10.255 -7.685 1.00 0.00 N ATOM 0 H LYS A 9 -8.554 -5.729 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.598 -7.501 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.549 -7.767 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.670 -9.111 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.425 -8.506 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.089 -7.373 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.728 -10.351 -6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.676 -9.647 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.732 -8.217 -7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.776 -8.955 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.166 -10.036 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.412 -11.118 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.371 -10.403 -8.696 1.00 0.00 H new ATOM 118 N VAL A 10 -8.889 -6.540 -2.520 1.00 0.00 N ATOM 119 CA VAL A 10 -9.086 -6.312 -1.046 1.00 0.00 C ATOM 120 C VAL A 10 -10.411 -5.528 -0.688 1.00 0.00 C ATOM 121 O VAL A 10 -11.094 -5.908 0.268 1.00 0.00 O ATOM 122 CB VAL A 10 -7.795 -5.689 -0.395 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.884 -5.550 1.145 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.487 -6.479 -0.651 1.00 0.00 C ATOM 0 H VAL A 10 -8.031 -6.128 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.235 -7.293 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.755 -4.718 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.960 -5.114 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.723 -4.905 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.031 -6.534 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.654 -5.972 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.585 -7.486 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.300 -6.535 -1.723 1.00 0.00 H new ATOM 134 N PHE A 11 -10.819 -4.498 -1.465 1.00 0.00 N ATOM 135 CA PHE A 11 -12.166 -3.854 -1.356 1.00 0.00 C ATOM 136 C PHE A 11 -13.421 -4.783 -1.565 1.00 0.00 C ATOM 137 O PHE A 11 -14.507 -4.416 -1.112 1.00 0.00 O ATOM 138 CB PHE A 11 -12.186 -2.591 -2.275 1.00 0.00 C ATOM 139 CG PHE A 11 -13.180 -1.485 -1.860 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.523 -1.562 -2.242 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.759 -0.403 -1.077 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.443 -0.620 -1.787 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.677 0.547 -0.637 1.00 0.00 C ATOM 144 CZ PHE A 11 -15.021 0.426 -0.974 1.00 0.00 C ATOM 0 H PHE A 11 -10.230 -4.084 -2.188 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.285 -3.575 -0.309 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -11.183 -2.164 -2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.423 -2.906 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.850 -2.358 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.716 -0.305 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.483 -0.702 -2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.345 1.379 -0.033 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.737 1.145 -0.604 1.00 0.00 H new ATOM 154 N GLY A 12 -13.295 -6.007 -2.124 1.00 0.00 N ATOM 155 CA GLY A 12 -14.269 -7.116 -1.894 1.00 0.00 C ATOM 156 C GLY A 12 -14.793 -7.371 -0.449 1.00 0.00 C ATOM 157 O GLY A 12 -15.992 -7.581 -0.258 1.00 0.00 O ATOM 0 H GLY A 12 -12.525 -6.260 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.134 -6.932 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.806 -8.039 -2.244 1.00 0.00 H new ATOM 161 N LYS A 13 -13.908 -7.288 0.559 1.00 0.00 N ATOM 162 CA LYS A 13 -14.307 -7.217 2.001 1.00 0.00 C ATOM 163 C LYS A 13 -15.004 -5.898 2.501 1.00 0.00 C ATOM 164 O LYS A 13 -15.633 -5.916 3.561 1.00 0.00 O ATOM 165 CB LYS A 13 -13.033 -7.524 2.842 1.00 0.00 C ATOM 166 CG LYS A 13 -12.556 -8.999 2.793 1.00 0.00 C ATOM 167 CD LYS A 13 -11.123 -9.237 3.312 1.00 0.00 C ATOM 168 CE LYS A 13 -10.034 -8.775 2.325 1.00 0.00 C ATOM 169 NZ LYS A 13 -8.703 -9.207 2.789 1.00 0.00 N ATOM 0 H LYS A 13 -12.899 -7.267 0.413 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.101 -7.952 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.223 -6.884 2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.228 -7.255 3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.245 -9.608 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.617 -9.351 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.994 -8.710 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.990 -10.299 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.233 -9.187 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.058 -7.689 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.968 -8.686 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.611 -9.014 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.590 -10.227 2.618 1.00 0.00 H new ATOM 182 N CYS A 14 -14.893 -4.777 1.772 1.00 0.00 N ATOM 183 CA CYS A 14 -15.541 -3.480 2.116 1.00 0.00 C ATOM 184 C CYS A 14 -16.886 -3.183 1.362 1.00 0.00 C ATOM 185 O CYS A 14 -17.822 -2.668 1.983 1.00 0.00 O ATOM 186 CB CYS A 14 -14.490 -2.368 1.886 1.00 0.00 C ATOM 187 SG CYS A 14 -12.820 -2.789 2.477 1.00 0.00 S ATOM 0 H CYS A 14 -14.345 -4.734 0.913 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.854 -3.525 3.159 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.441 -2.144 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.823 -1.459 2.387 1.00 0.00 H new ATOM 192 N LYS A 15 -17.000 -3.502 0.051 1.00 0.00 N ATOM 193 CA LYS A 15 -18.225 -3.251 -0.775 1.00 0.00 C ATOM 194 C LYS A 15 -19.598 -3.854 -0.330 1.00 0.00 C ATOM 195 O LYS A 15 -20.637 -3.282 -0.669 1.00 0.00 O ATOM 196 CB LYS A 15 -17.926 -3.548 -2.271 1.00 0.00 C ATOM 197 CG LYS A 15 -17.622 -5.015 -2.667 1.00 0.00 C ATOM 198 CD LYS A 15 -17.328 -5.227 -4.169 1.00 0.00 C ATOM 199 CE LYS A 15 -16.025 -4.573 -4.666 1.00 0.00 C ATOM 200 NZ LYS A 15 -15.769 -4.931 -6.074 1.00 0.00 N ATOM 0 H LYS A 15 -16.245 -3.944 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.413 -2.193 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.782 -3.213 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.075 -2.936 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.766 -5.364 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.471 -5.637 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.281 -6.297 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.162 -4.831 -4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.095 -3.490 -4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.190 -4.896 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.770 -4.751 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.981 -5.939 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.375 -4.356 -6.694 1.00 0.00 H new ATOM 213 N ALA A 16 -19.622 -4.950 0.452 1.00 0.00 N ATOM 214 CA ALA A 16 -20.844 -5.394 1.181 1.00 0.00 C ATOM 215 C ALA A 16 -21.530 -4.356 2.141 1.00 0.00 C ATOM 216 O ALA A 16 -22.759 -4.354 2.243 1.00 0.00 O ATOM 217 CB ALA A 16 -20.453 -6.687 1.923 1.00 0.00 C ATOM 0 H ALA A 16 -18.811 -5.551 0.601 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.628 -5.541 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.313 -7.062 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.132 -7.438 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.638 -6.477 2.615 1.00 0.00 H new ATOM 223 N CYS A 17 -20.757 -3.483 2.816 1.00 0.00 N ATOM 224 CA CYS A 17 -21.302 -2.345 3.606 1.00 0.00 C ATOM 225 C CYS A 17 -21.117 -0.914 2.984 1.00 0.00 C ATOM 226 O CYS A 17 -22.008 -0.074 3.143 1.00 0.00 O ATOM 227 CB CYS A 17 -20.652 -2.411 5.001 1.00 0.00 C ATOM 228 SG CYS A 17 -20.839 -4.036 5.799 1.00 0.00 S ATOM 0 H CYS A 17 -19.739 -3.540 2.833 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.385 -2.469 3.631 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.591 -2.176 4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -21.096 -1.646 5.639 1.00 0.00 H new ATOM 233 N HIS A 18 -19.961 -0.613 2.356 1.00 0.00 N ATOM 234 CA HIS A 18 -19.563 0.754 1.932 1.00 0.00 C ATOM 235 C HIS A 18 -19.620 0.901 0.380 1.00 0.00 C ATOM 236 O HIS A 18 -19.003 0.135 -0.367 1.00 0.00 O ATOM 237 CB HIS A 18 -18.106 0.998 2.397 1.00 0.00 C ATOM 238 CG HIS A 18 -17.884 1.236 3.887 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.953 2.482 4.453 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.247 0.353 4.762 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.259 2.280 5.606 1.00 0.00 C ATOM 242 NE2 HIS A 18 -16.759 1.017 5.903 1.00 0.00 N ATOM 0 H HIS A 18 -19.264 -1.321 2.124 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.250 1.476 2.374 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.507 0.138 2.099 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.718 1.860 1.855 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.402 3.329 4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.142 -0.707 4.585 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.097 3.100 6.290 1.00 0.00 H new ATOM 250 N LYS A 19 -20.316 1.937 -0.099 1.00 0.00 N ATOM 251 CA LYS A 19 -20.561 2.145 -1.557 1.00 0.00 C ATOM 252 C LYS A 19 -19.693 3.315 -2.125 1.00 0.00 C ATOM 253 O LYS A 19 -19.818 4.474 -1.711 1.00 0.00 O ATOM 254 CB LYS A 19 -22.076 2.371 -1.803 1.00 0.00 C ATOM 255 CG LYS A 19 -22.996 1.149 -1.541 1.00 0.00 C ATOM 256 CD LYS A 19 -24.505 1.442 -1.674 1.00 0.00 C ATOM 257 CE LYS A 19 -24.979 1.654 -3.121 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.405 2.040 -3.142 1.00 0.00 N ATOM 0 H LYS A 19 -20.728 2.657 0.494 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.255 1.249 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.408 3.194 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.213 2.689 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.730 0.355 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.799 0.771 -0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -25.064 0.615 -1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.744 2.331 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -24.378 2.429 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -24.834 0.739 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -26.856 1.657 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.881 1.658 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -26.484 3.077 -3.143 1.00 0.00 H new ATOM 271 N LEU A 20 -18.842 3.010 -3.123 1.00 0.00 N ATOM 272 CA LEU A 20 -18.004 4.034 -3.822 1.00 0.00 C ATOM 273 C LEU A 20 -18.732 5.021 -4.794 1.00 0.00 C ATOM 274 O LEU A 20 -18.161 6.071 -5.098 1.00 0.00 O ATOM 275 CB LEU A 20 -16.830 3.334 -4.567 1.00 0.00 C ATOM 276 CG LEU A 20 -15.743 2.659 -3.694 1.00 0.00 C ATOM 277 CD1 LEU A 20 -14.785 1.844 -4.573 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.923 3.667 -2.866 1.00 0.00 C ATOM 0 H LEU A 20 -18.708 2.061 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.657 4.677 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.252 2.576 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.343 4.074 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.272 2.009 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.026 1.375 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.344 1.073 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.303 2.504 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.178 3.133 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.422 4.366 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.588 4.217 -2.200 1.00 0.00 H new ATOM 290 N ASP A 21 -19.970 4.771 -5.263 1.00 0.00 N ATOM 291 CA ASP A 21 -20.706 5.739 -6.144 1.00 0.00 C ATOM 292 C ASP A 21 -21.361 6.937 -5.354 1.00 0.00 C ATOM 293 O ASP A 21 -22.554 7.215 -5.492 1.00 0.00 O ATOM 294 CB ASP A 21 -21.732 4.935 -6.997 1.00 0.00 C ATOM 295 CG ASP A 21 -21.145 3.924 -7.986 1.00 0.00 C ATOM 296 OD1 ASP A 21 -20.764 4.507 -9.161 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.033 2.728 -7.735 1.00 0.00 O ATOM 0 H ASP A 21 -20.490 3.918 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.992 6.230 -6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.399 4.403 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.344 5.644 -7.555 1.00 0.00 H new ATOM 302 N GLY A 22 -20.580 7.633 -4.500 1.00 0.00 N ATOM 303 CA GLY A 22 -21.102 8.612 -3.496 1.00 0.00 C ATOM 304 C GLY A 22 -22.328 8.240 -2.606 1.00 0.00 C ATOM 305 O GLY A 22 -23.134 9.115 -2.294 1.00 0.00 O ATOM 0 H GLY A 22 -19.565 7.538 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.278 8.859 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.358 9.524 -4.036 1.00 0.00 H new ATOM 309 N ASN A 23 -22.461 6.963 -2.208 1.00 0.00 N ATOM 310 CA ASN A 23 -23.682 6.424 -1.542 1.00 0.00 C ATOM 311 C ASN A 23 -23.391 5.923 -0.089 1.00 0.00 C ATOM 312 O ASN A 23 -22.383 5.264 0.188 1.00 0.00 O ATOM 313 CB ASN A 23 -24.249 5.276 -2.431 1.00 0.00 C ATOM 314 CG ASN A 23 -25.372 5.658 -3.394 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.534 5.335 -3.176 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.088 6.316 -4.490 1.00 0.00 N ATOM 0 H ASN A 23 -21.728 6.265 -2.335 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.417 7.222 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -23.428 4.856 -3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -24.614 4.485 -1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.829 6.553 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.125 6.591 -4.685 1.00 0.00 H new ATOM 323 N ASP A 24 -24.316 6.220 0.836 1.00 0.00 N ATOM 324 CA ASP A 24 -24.173 5.891 2.282 1.00 0.00 C ATOM 325 C ASP A 24 -25.262 4.842 2.670 1.00 0.00 C ATOM 326 O ASP A 24 -26.457 5.157 2.656 1.00 0.00 O ATOM 327 CB ASP A 24 -24.299 7.212 3.093 1.00 0.00 C ATOM 328 CG ASP A 24 -23.115 8.170 2.949 1.00 0.00 C ATOM 329 OD1 ASP A 24 -23.193 8.940 1.828 1.00 0.00 O ATOM 330 OD2 ASP A 24 -22.176 8.212 3.736 1.00 0.00 O ATOM 0 H ASP A 24 -25.190 6.696 0.613 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.202 5.449 2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.206 7.729 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.421 6.964 4.147 1.00 0.00 H new ATOM 335 N GLY A 25 -24.858 3.596 2.981 1.00 0.00 N ATOM 336 CA GLY A 25 -25.815 2.482 3.238 1.00 0.00 C ATOM 337 C GLY A 25 -25.681 1.879 4.645 1.00 0.00 C ATOM 338 O GLY A 25 -26.120 2.484 5.625 1.00 0.00 O ATOM 0 H GLY A 25 -23.878 3.327 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.833 2.848 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -25.657 1.698 2.497 1.00 0.00 H new ATOM 342 N VAL A 26 -25.062 0.692 4.744 1.00 0.00 N ATOM 343 CA VAL A 26 -24.676 0.092 6.067 1.00 0.00 C ATOM 344 C VAL A 26 -23.437 0.836 6.676 1.00 0.00 C ATOM 345 O VAL A 26 -23.525 1.307 7.811 1.00 0.00 O ATOM 346 CB VAL A 26 -24.496 -1.466 5.995 1.00 0.00 C ATOM 347 CG1 VAL A 26 -24.165 -2.116 7.361 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.718 -2.226 5.425 1.00 0.00 C ATOM 0 H VAL A 26 -24.812 0.118 3.939 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.507 0.244 6.756 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.653 -1.566 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -24.055 -3.193 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.235 -1.699 7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.972 -1.914 8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.507 -3.295 5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.589 -2.036 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.919 -1.883 4.410 1.00 0.00 H new ATOM 358 N GLY A 27 -22.321 0.964 5.933 1.00 0.00 N ATOM 359 CA GLY A 27 -21.299 2.002 6.211 1.00 0.00 C ATOM 360 C GLY A 27 -21.390 3.268 5.302 1.00 0.00 C ATOM 361 O GLY A 27 -22.089 3.245 4.279 1.00 0.00 O ATOM 0 H GLY A 27 -22.101 0.365 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.390 2.312 7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.310 1.559 6.095 1.00 0.00 H new ATOM 365 N PRO A 28 -20.677 4.393 5.604 1.00 0.00 N ATOM 366 CA PRO A 28 -20.685 5.608 4.740 1.00 0.00 C ATOM 367 C PRO A 28 -19.968 5.466 3.355 1.00 0.00 C ATOM 368 O PRO A 28 -19.363 4.438 3.034 1.00 0.00 O ATOM 369 CB PRO A 28 -20.021 6.642 5.678 1.00 0.00 C ATOM 370 CG PRO A 28 -19.087 5.825 6.567 1.00 0.00 C ATOM 371 CD PRO A 28 -19.886 4.557 6.839 1.00 0.00 C ATOM 0 HA PRO A 28 -21.686 5.874 4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.470 7.393 5.111 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.766 7.173 6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.144 5.607 6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.844 6.353 7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.236 3.701 7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.524 4.662 7.716 1.00 0.00 H new ATOM 379 N HIS A 29 -20.009 6.524 2.529 1.00 0.00 N ATOM 380 CA HIS A 29 -19.328 6.525 1.206 1.00 0.00 C ATOM 381 C HIS A 29 -17.775 6.648 1.342 1.00 0.00 C ATOM 382 O HIS A 29 -17.252 7.714 1.688 1.00 0.00 O ATOM 383 CB HIS A 29 -19.987 7.566 0.258 1.00 0.00 C ATOM 384 CG HIS A 29 -19.747 9.062 0.475 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.489 9.858 1.337 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.841 9.841 -0.262 1.00 0.00 C ATOM 387 CE1 HIS A 29 -19.931 11.078 1.041 1.00 0.00 C ATOM 388 NE2 HIS A 29 -18.932 11.167 0.111 1.00 0.00 N ATOM 0 H HIS A 29 -20.502 7.390 2.745 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.473 5.555 0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.664 7.330 -0.756 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.064 7.402 0.296 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -21.229 9.611 1.995 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.168 9.457 -1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.281 11.968 1.543 1.00 0.00 H new ATOM 396 N LEU A 30 -17.022 5.568 1.058 1.00 0.00 N ATOM 397 CA LEU A 30 -15.519 5.629 1.031 1.00 0.00 C ATOM 398 C LEU A 30 -14.853 6.396 -0.168 1.00 0.00 C ATOM 399 O LEU A 30 -13.635 6.599 -0.152 1.00 0.00 O ATOM 400 CB LEU A 30 -14.919 4.205 1.209 1.00 0.00 C ATOM 401 CG LEU A 30 -15.119 3.530 2.590 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.612 2.079 2.566 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.438 4.263 3.759 1.00 0.00 C ATOM 0 H LEU A 30 -17.408 4.648 0.845 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.263 6.260 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.352 3.556 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.849 4.260 1.009 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.194 3.568 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.762 1.625 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.164 1.513 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.550 2.069 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.628 3.724 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.364 4.312 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.839 5.273 3.838 1.00 0.00 H new ATOM 415 N ASN A 31 -15.632 6.890 -1.149 1.00 0.00 N ATOM 416 CA ASN A 31 -15.147 7.830 -2.187 1.00 0.00 C ATOM 417 C ASN A 31 -14.837 9.234 -1.572 1.00 0.00 C ATOM 418 O ASN A 31 -15.717 9.905 -1.021 1.00 0.00 O ATOM 419 CB ASN A 31 -16.212 7.855 -3.310 1.00 0.00 C ATOM 420 CG ASN A 31 -15.764 8.536 -4.595 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.951 8.011 -5.345 1.00 0.00 O ATOM 422 ND2 ASN A 31 -16.253 9.714 -4.876 1.00 0.00 N ATOM 0 H ASN A 31 -16.618 6.650 -1.247 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.198 7.505 -2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.502 6.830 -3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.102 8.362 -2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.958 10.200 -5.723 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.930 10.148 -4.249 1.00 0.00 H new ATOM 429 N GLY A 32 -13.559 9.624 -1.608 1.00 0.00 N ATOM 430 CA GLY A 32 -13.068 10.835 -0.892 1.00 0.00 C ATOM 431 C GLY A 32 -12.815 10.713 0.630 1.00 0.00 C ATOM 432 O GLY A 32 -13.008 11.696 1.345 1.00 0.00 O ATOM 0 H GLY A 32 -12.834 9.126 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.137 11.150 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.791 11.635 -1.049 1.00 0.00 H new ATOM 436 N VAL A 33 -12.379 9.543 1.128 1.00 0.00 N ATOM 437 CA VAL A 33 -12.038 9.342 2.573 1.00 0.00 C ATOM 438 C VAL A 33 -10.605 9.801 3.025 1.00 0.00 C ATOM 439 O VAL A 33 -10.431 10.123 4.203 1.00 0.00 O ATOM 440 CB VAL A 33 -12.397 7.872 2.992 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.440 6.785 2.449 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.530 7.696 4.523 1.00 0.00 C ATOM 0 H VAL A 33 -12.249 8.708 0.557 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.661 10.039 3.133 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.367 7.720 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.771 5.805 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.444 6.808 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.430 6.975 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.779 6.659 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.586 7.956 5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.319 8.349 4.897 1.00 0.00 H new ATOM 452 N VAL A 34 -9.579 9.806 2.151 1.00 0.00 N ATOM 453 CA VAL A 34 -8.153 9.981 2.566 1.00 0.00 C ATOM 454 C VAL A 34 -7.860 11.501 2.811 1.00 0.00 C ATOM 455 O VAL A 34 -7.893 12.318 1.886 1.00 0.00 O ATOM 456 CB VAL A 34 -7.168 9.295 1.555 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.700 9.343 2.044 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.496 7.809 1.267 1.00 0.00 C ATOM 0 H VAL A 34 -9.702 9.691 1.145 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.981 9.467 3.512 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.297 9.875 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.056 8.856 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.391 10.381 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.618 8.826 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.771 7.407 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.452 7.240 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.497 7.733 0.842 1.00 0.00 H new ATOM 468 N GLY A 35 -7.629 11.871 4.082 1.00 0.00 N ATOM 469 CA GLY A 35 -7.725 13.288 4.536 1.00 0.00 C ATOM 470 C GLY A 35 -9.082 13.806 5.089 1.00 0.00 C ATOM 471 O GLY A 35 -9.119 14.939 5.571 1.00 0.00 O ATOM 0 H GLY A 35 -7.374 11.216 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.974 13.438 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.447 13.924 3.695 1.00 0.00 H new ATOM 475 N ARG A 36 -10.181 13.028 5.043 1.00 0.00 N ATOM 476 CA ARG A 36 -11.521 13.470 5.517 1.00 0.00 C ATOM 477 C ARG A 36 -11.689 13.273 7.056 1.00 0.00 C ATOM 478 O ARG A 36 -11.187 12.310 7.641 1.00 0.00 O ATOM 479 CB ARG A 36 -12.588 12.693 4.694 1.00 0.00 C ATOM 480 CG ARG A 36 -14.057 13.170 4.873 1.00 0.00 C ATOM 481 CD ARG A 36 -15.066 12.531 3.900 1.00 0.00 C ATOM 482 NE ARG A 36 -15.359 11.112 4.253 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.866 10.200 3.424 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.028 10.385 2.138 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.224 9.050 3.910 1.00 0.00 N ATOM 0 H ARG A 36 -10.172 12.076 4.678 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.645 14.541 5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.328 12.765 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.532 11.639 4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.372 12.955 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.090 14.253 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.992 13.106 3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.671 12.578 2.885 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.155 10.815 5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.759 11.272 1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.423 9.642 1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.115 8.861 4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.615 8.336 3.295 1.00 0.00 H new ATOM 499 N THR A 37 -12.438 14.178 7.704 1.00 0.00 N ATOM 500 CA THR A 37 -12.667 14.158 9.180 1.00 0.00 C ATOM 501 C THR A 37 -13.334 12.843 9.715 1.00 0.00 C ATOM 502 O THR A 37 -14.142 12.201 9.033 1.00 0.00 O ATOM 503 CB THR A 37 -13.423 15.475 9.547 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.697 16.614 9.079 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.635 15.722 11.049 1.00 0.00 C ATOM 0 H THR A 37 -12.908 14.950 7.231 1.00 0.00 H new ATOM 0 HA THR A 37 -11.710 14.135 9.702 1.00 0.00 H new ATOM 0 HB THR A 37 -14.396 15.344 9.074 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.758 16.537 9.349 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.169 16.662 11.191 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.219 14.905 11.473 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.668 15.774 11.549 1.00 0.00 H new ATOM 513 N VAL A 38 -12.980 12.442 10.950 1.00 0.00 N ATOM 514 CA VAL A 38 -13.601 11.266 11.636 1.00 0.00 C ATOM 515 C VAL A 38 -15.089 11.604 12.011 1.00 0.00 C ATOM 516 O VAL A 38 -15.360 12.618 12.661 1.00 0.00 O ATOM 517 CB VAL A 38 -12.737 10.788 12.855 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.311 9.509 13.501 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.258 10.466 12.524 1.00 0.00 C ATOM 0 H VAL A 38 -12.264 12.910 11.506 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.624 10.415 10.955 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.774 11.646 13.526 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.683 9.212 14.341 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.323 9.703 13.856 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.333 8.707 12.763 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.744 10.145 13.430 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.217 9.669 11.781 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.771 11.357 12.128 1.00 0.00 H new ATOM 529 N ALA A 39 -16.044 10.793 11.510 1.00 0.00 N ATOM 530 CA ALA A 39 -17.481 11.192 11.370 1.00 0.00 C ATOM 531 C ALA A 39 -17.839 12.330 10.340 1.00 0.00 C ATOM 532 O ALA A 39 -18.918 12.927 10.416 1.00 0.00 O ATOM 533 CB ALA A 39 -18.159 11.367 12.747 1.00 0.00 C ATOM 0 H ALA A 39 -15.853 9.844 11.189 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.925 10.332 10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.200 11.657 12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.115 10.427 13.296 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.641 12.142 13.312 1.00 0.00 H new ATOM 539 N GLY A 40 -17.001 12.584 9.316 1.00 0.00 N ATOM 540 CA GLY A 40 -17.183 13.715 8.366 1.00 0.00 C ATOM 541 C GLY A 40 -18.025 13.436 7.105 1.00 0.00 C ATOM 542 O GLY A 40 -17.602 13.742 5.989 1.00 0.00 O ATOM 0 H GLY A 40 -16.178 12.015 9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.644 14.541 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.197 14.053 8.048 1.00 0.00 H new ATOM 546 N VAL A 41 -19.237 12.910 7.310 1.00 0.00 N ATOM 547 CA VAL A 41 -20.313 12.898 6.273 1.00 0.00 C ATOM 548 C VAL A 41 -21.638 13.335 6.978 1.00 0.00 C ATOM 549 O VAL A 41 -22.240 12.556 7.726 1.00 0.00 O ATOM 550 CB VAL A 41 -20.470 11.529 5.515 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.575 11.585 4.432 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.184 11.034 4.815 1.00 0.00 C ATOM 0 H VAL A 41 -19.514 12.478 8.191 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.041 13.595 5.480 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.729 10.832 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.647 10.617 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.530 11.825 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.327 12.352 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.383 10.085 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.865 11.770 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.396 10.898 5.556 1.00 0.00 H new ATOM 562 N ASP A 42 -22.136 14.550 6.677 1.00 0.00 N ATOM 563 CA ASP A 42 -23.500 14.983 7.105 1.00 0.00 C ATOM 564 C ASP A 42 -24.576 14.324 6.181 1.00 0.00 C ATOM 565 O ASP A 42 -24.708 14.671 5.003 1.00 0.00 O ATOM 566 CB ASP A 42 -23.602 16.531 7.106 1.00 0.00 C ATOM 567 CG ASP A 42 -22.785 17.227 8.198 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.056 17.143 9.392 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.735 17.939 7.692 1.00 0.00 O ATOM 0 H ASP A 42 -21.625 15.253 6.143 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.686 14.649 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.276 16.903 6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.649 16.812 7.220 1.00 0.00 H new ATOM 574 N GLY A 43 -25.272 13.309 6.712 1.00 0.00 N ATOM 575 CA GLY A 43 -25.991 12.312 5.872 1.00 0.00 C ATOM 576 C GLY A 43 -26.013 10.884 6.459 1.00 0.00 C ATOM 577 O GLY A 43 -27.085 10.285 6.551 1.00 0.00 O ATOM 0 H GLY A 43 -25.359 13.148 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.018 12.649 5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.525 12.280 4.887 1.00 0.00 H new ATOM 581 N PHE A 44 -24.845 10.337 6.847 1.00 0.00 N ATOM 582 CA PHE A 44 -24.778 9.040 7.577 1.00 0.00 C ATOM 583 C PHE A 44 -24.926 9.243 9.125 1.00 0.00 C ATOM 584 O PHE A 44 -24.285 10.114 9.725 1.00 0.00 O ATOM 585 CB PHE A 44 -23.452 8.329 7.177 1.00 0.00 C ATOM 586 CG PHE A 44 -23.305 6.899 7.734 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.918 5.813 7.101 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.637 6.695 8.945 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.876 4.548 7.681 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.601 5.434 9.529 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.219 4.360 8.896 1.00 0.00 C ATOM 0 H PHE A 44 -23.935 10.764 6.672 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.615 8.402 7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.388 8.291 6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.612 8.930 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.426 5.956 6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.145 7.524 9.431 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.352 3.712 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.095 5.288 10.472 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.190 3.379 9.347 1.00 0.00 H new ATOM 601 N ASN A 45 -25.727 8.380 9.778 1.00 0.00 N ATOM 602 CA ASN A 45 -25.855 8.362 11.260 1.00 0.00 C ATOM 603 C ASN A 45 -24.655 7.610 11.933 1.00 0.00 C ATOM 604 O ASN A 45 -24.665 6.383 12.077 1.00 0.00 O ATOM 605 CB ASN A 45 -27.242 7.746 11.591 1.00 0.00 C ATOM 606 CG ASN A 45 -27.670 7.883 13.047 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.183 8.906 13.483 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.479 6.871 13.848 1.00 0.00 N ATOM 0 H ASN A 45 -26.300 7.681 9.306 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.807 9.370 11.673 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.994 8.219 10.960 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.226 6.688 11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.756 6.936 14.827 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -27.053 6.014 13.495 1.00 0.00 H new ATOM 615 N TYR A 46 -23.635 8.371 12.358 1.00 0.00 N ATOM 616 CA TYR A 46 -22.435 7.821 13.042 1.00 0.00 C ATOM 617 C TYR A 46 -22.656 7.507 14.561 1.00 0.00 C ATOM 618 O TYR A 46 -23.516 8.090 15.229 1.00 0.00 O ATOM 619 CB TYR A 46 -21.260 8.827 12.851 1.00 0.00 C ATOM 620 CG TYR A 46 -20.647 8.882 11.443 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.704 7.926 11.052 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.005 9.898 10.551 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.117 7.994 9.792 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.422 9.957 9.287 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.472 9.012 8.911 1.00 0.00 C ATOM 626 OH TYR A 46 -18.855 9.115 7.693 1.00 0.00 O ATOM 0 H TYR A 46 -23.610 9.384 12.242 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.206 6.858 12.585 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.615 9.824 13.111 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.472 8.574 13.560 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.430 7.132 11.731 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.735 10.639 10.843 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.385 7.256 9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.708 10.738 8.598 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.546 10.035 7.560 1.00 0.00 H new ATOM 636 N SER A 47 -21.824 6.607 15.118 1.00 0.00 N ATOM 637 CA SER A 47 -21.795 6.335 16.585 1.00 0.00 C ATOM 638 C SER A 47 -21.132 7.484 17.407 1.00 0.00 C ATOM 639 O SER A 47 -20.219 8.175 16.941 1.00 0.00 O ATOM 640 CB SER A 47 -21.090 4.977 16.810 1.00 0.00 C ATOM 641 OG SER A 47 -21.138 4.562 18.179 1.00 0.00 O ATOM 0 H SER A 47 -21.159 6.050 14.581 1.00 0.00 H new ATOM 0 HA SER A 47 -22.819 6.287 16.955 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.561 4.218 16.185 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.050 5.052 16.491 1.00 0.00 H new ATOM 0 HG SER A 47 -20.424 3.912 18.349 1.00 0.00 H new ATOM 647 N ASP A 48 -21.592 7.662 18.656 1.00 0.00 N ATOM 648 CA ASP A 48 -21.075 8.731 19.569 1.00 0.00 C ATOM 649 C ASP A 48 -19.518 8.742 19.818 1.00 0.00 C ATOM 650 O ASP A 48 -18.952 9.829 19.673 1.00 0.00 O ATOM 651 CB ASP A 48 -21.899 8.790 20.885 1.00 0.00 C ATOM 652 CG ASP A 48 -23.307 9.370 20.734 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.527 10.573 20.638 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.274 8.404 20.725 1.00 0.00 O ATOM 0 H ASP A 48 -22.323 7.085 19.071 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.230 9.660 19.020 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.978 7.782 21.293 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.351 9.387 21.614 1.00 0.00 H new ATOM 659 N PRO A 49 -18.770 7.633 20.102 1.00 0.00 N ATOM 660 CA PRO A 49 -17.278 7.630 20.070 1.00 0.00 C ATOM 661 C PRO A 49 -16.551 7.941 18.724 1.00 0.00 C ATOM 662 O PRO A 49 -15.446 8.482 18.759 1.00 0.00 O ATOM 663 CB PRO A 49 -16.929 6.225 20.598 1.00 0.00 C ATOM 664 CG PRO A 49 -18.204 5.681 21.245 1.00 0.00 C ATOM 665 CD PRO A 49 -19.331 6.318 20.447 1.00 0.00 C ATOM 0 HA PRO A 49 -16.914 8.471 20.660 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.597 5.576 19.787 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.115 6.273 21.322 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.244 4.593 21.192 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.261 5.951 22.300 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.579 5.737 19.559 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.245 6.408 21.035 1.00 0.00 H new ATOM 673 N MET A 50 -17.151 7.630 17.559 1.00 0.00 N ATOM 674 CA MET A 50 -16.704 8.189 16.248 1.00 0.00 C ATOM 675 C MET A 50 -16.934 9.734 16.094 1.00 0.00 C ATOM 676 O MET A 50 -16.028 10.442 15.650 1.00 0.00 O ATOM 677 CB MET A 50 -17.384 7.345 15.135 1.00 0.00 C ATOM 678 CG MET A 50 -16.812 7.533 13.716 1.00 0.00 C ATOM 679 SD MET A 50 -15.154 6.838 13.586 1.00 0.00 S ATOM 680 CE MET A 50 -15.518 5.181 12.988 1.00 0.00 C ATOM 0 H MET A 50 -17.947 6.996 17.489 1.00 0.00 H new ATOM 0 HA MET A 50 -15.620 8.107 16.170 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.305 6.291 15.403 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.446 7.590 15.115 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.468 7.054 12.990 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.785 8.594 13.469 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.609 4.729 12.592 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.897 4.573 13.809 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.269 5.235 12.200 1.00 0.00 H new ATOM 690 N LYS A 51 -18.110 10.258 16.494 1.00 0.00 N ATOM 691 CA LYS A 51 -18.380 11.727 16.552 1.00 0.00 C ATOM 692 C LYS A 51 -17.490 12.518 17.571 1.00 0.00 C ATOM 693 O LYS A 51 -16.916 13.545 17.201 1.00 0.00 O ATOM 694 CB LYS A 51 -19.900 11.969 16.787 1.00 0.00 C ATOM 695 CG LYS A 51 -20.834 11.486 15.647 1.00 0.00 C ATOM 696 CD LYS A 51 -22.334 11.791 15.839 1.00 0.00 C ATOM 697 CE LYS A 51 -22.994 11.021 16.995 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.458 11.187 16.961 1.00 0.00 N ATOM 0 H LYS A 51 -18.902 9.686 16.787 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.091 12.137 15.584 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.192 11.468 17.710 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.062 13.036 16.939 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.505 11.944 14.714 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.712 10.409 15.534 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.456 12.860 16.014 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.862 11.557 14.914 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.741 9.963 16.925 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.604 11.380 17.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.886 10.660 17.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.695 12.196 17.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.828 10.823 16.060 1.00 0.00 H new ATOM 711 N ALA A 52 -17.328 12.030 18.816 1.00 0.00 N ATOM 712 CA ALA A 52 -16.351 12.588 19.790 1.00 0.00 C ATOM 713 C ALA A 52 -14.874 12.046 19.719 1.00 0.00 C ATOM 714 O ALA A 52 -14.159 12.100 20.725 1.00 0.00 O ATOM 715 CB ALA A 52 -17.015 12.347 21.164 1.00 0.00 C ATOM 0 H ALA A 52 -17.864 11.242 19.180 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.173 13.639 19.562 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.366 12.727 21.953 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.973 12.865 21.201 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.174 11.278 21.309 1.00 0.00 H new ATOM 721 N HIS A 53 -14.374 11.593 18.548 1.00 0.00 N ATOM 722 CA HIS A 53 -12.964 11.127 18.393 1.00 0.00 C ATOM 723 C HIS A 53 -11.923 12.293 18.265 1.00 0.00 C ATOM 724 O HIS A 53 -11.000 12.371 19.080 1.00 0.00 O ATOM 725 CB HIS A 53 -12.918 10.111 17.216 1.00 0.00 C ATOM 726 CG HIS A 53 -11.650 9.259 17.150 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.623 9.475 16.242 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.381 8.133 17.948 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.804 8.429 16.583 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.171 7.568 17.585 1.00 0.00 N ATOM 0 H HIS A 53 -14.922 11.537 17.690 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.651 10.625 19.309 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.780 9.448 17.293 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.020 10.658 16.279 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.026 7.763 18.731 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.869 8.283 16.062 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.691 6.748 17.956 1.00 0.00 H new ATOM 738 N GLY A 54 -12.054 13.170 17.249 1.00 0.00 N ATOM 739 CA GLY A 54 -11.084 14.271 17.006 1.00 0.00 C ATOM 740 C GLY A 54 -9.897 13.884 16.107 1.00 0.00 C ATOM 741 O GLY A 54 -8.835 13.490 16.595 1.00 0.00 O ATOM 0 H GLY A 54 -12.822 13.141 16.579 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.611 15.109 16.551 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.700 14.619 17.965 1.00 0.00 H new ATOM 745 N GLY A 55 -10.083 14.029 14.794 1.00 0.00 N ATOM 746 CA GLY A 55 -9.032 13.694 13.804 1.00 0.00 C ATOM 747 C GLY A 55 -9.477 13.727 12.326 1.00 0.00 C ATOM 748 O GLY A 55 -10.636 13.990 11.987 1.00 0.00 O ATOM 0 H GLY A 55 -10.949 14.376 14.381 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.202 14.390 13.931 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.650 12.698 14.028 1.00 0.00 H new ATOM 752 N ASP A 56 -8.522 13.413 11.440 1.00 0.00 N ATOM 753 CA ASP A 56 -8.781 13.229 9.981 1.00 0.00 C ATOM 754 C ASP A 56 -8.126 11.904 9.476 1.00 0.00 C ATOM 755 O ASP A 56 -7.095 11.451 9.991 1.00 0.00 O ATOM 756 CB ASP A 56 -8.279 14.449 9.159 1.00 0.00 C ATOM 757 CG ASP A 56 -8.950 15.794 9.463 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.100 16.085 9.142 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.124 16.637 10.141 1.00 0.00 O ATOM 0 H ASP A 56 -7.545 13.277 11.701 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.859 13.159 9.834 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.207 14.556 9.325 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.417 14.229 8.100 1.00 0.00 H new ATOM 764 N TRP A 57 -8.720 11.279 8.443 1.00 0.00 N ATOM 765 CA TRP A 57 -8.321 9.917 7.987 1.00 0.00 C ATOM 766 C TRP A 57 -7.072 9.911 7.049 1.00 0.00 C ATOM 767 O TRP A 57 -7.145 9.694 5.837 1.00 0.00 O ATOM 768 CB TRP A 57 -9.561 9.200 7.381 1.00 0.00 C ATOM 769 CG TRP A 57 -10.580 8.648 8.389 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.931 9.041 8.488 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.393 7.710 9.398 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.596 8.356 9.520 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.625 7.552 10.079 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.230 7.039 9.861 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.700 6.750 11.240 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.324 6.269 11.020 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.538 6.135 11.703 1.00 0.00 C ATOM 0 H TRP A 57 -9.481 11.689 7.901 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.985 9.348 8.854 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.075 9.900 6.722 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.211 8.375 6.760 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.397 9.777 7.850 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.575 8.436 9.793 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.295 7.123 9.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.638 6.616 11.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.445 5.768 11.397 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.575 5.544 12.606 1.00 0.00 H new ATOM 788 N THR A 58 -5.904 10.104 7.668 1.00 0.00 N ATOM 789 CA THR A 58 -4.571 10.000 7.009 1.00 0.00 C ATOM 790 C THR A 58 -4.143 8.515 6.703 1.00 0.00 C ATOM 791 O THR A 58 -4.668 7.601 7.351 1.00 0.00 O ATOM 792 CB THR A 58 -3.516 10.719 7.920 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.482 10.164 9.232 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.717 12.237 8.073 1.00 0.00 C ATOM 0 H THR A 58 -5.842 10.342 8.658 1.00 0.00 H new ATOM 0 HA THR A 58 -4.630 10.487 6.036 1.00 0.00 H new ATOM 0 HB THR A 58 -2.578 10.552 7.391 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.812 10.636 9.770 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.940 12.644 8.720 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.659 12.712 7.094 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.695 12.432 8.514 1.00 0.00 H new ATOM 802 N PRO A 59 -3.178 8.197 5.781 1.00 0.00 N ATOM 803 CA PRO A 59 -2.638 6.807 5.618 1.00 0.00 C ATOM 804 C PRO A 59 -2.157 6.047 6.899 1.00 0.00 C ATOM 805 O PRO A 59 -2.502 4.881 7.100 1.00 0.00 O ATOM 806 CB PRO A 59 -1.521 7.005 4.572 1.00 0.00 C ATOM 807 CG PRO A 59 -1.190 8.498 4.566 1.00 0.00 C ATOM 808 CD PRO A 59 -2.515 9.179 4.896 1.00 0.00 C ATOM 0 HA PRO A 59 -3.438 6.129 5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.642 6.414 4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.850 6.677 3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.424 8.739 5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.809 8.817 3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.364 10.136 5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.102 9.376 3.999 1.00 0.00 H new ATOM 816 N GLU A 60 -1.408 6.741 7.768 1.00 0.00 N ATOM 817 CA GLU A 60 -1.137 6.308 9.172 1.00 0.00 C ATOM 818 C GLU A 60 -2.391 5.993 10.069 1.00 0.00 C ATOM 819 O GLU A 60 -2.496 4.872 10.575 1.00 0.00 O ATOM 820 CB GLU A 60 -0.085 7.253 9.818 1.00 0.00 C ATOM 821 CG GLU A 60 -0.526 8.712 10.091 1.00 0.00 C ATOM 822 CD GLU A 60 0.589 9.615 10.608 1.00 0.00 C ATOM 823 OE1 GLU A 60 0.738 9.537 11.959 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.271 10.336 9.887 1.00 0.00 O ATOM 0 H GLU A 60 -0.964 7.627 7.527 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.705 5.309 9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.232 6.812 10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.791 7.279 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.925 9.137 9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.339 8.704 10.817 1.00 0.00 H new ATOM 831 N ALA A 61 -3.359 6.921 10.219 1.00 0.00 N ATOM 832 CA ALA A 61 -4.636 6.651 10.941 1.00 0.00 C ATOM 833 C ALA A 61 -5.559 5.545 10.325 1.00 0.00 C ATOM 834 O ALA A 61 -6.059 4.690 11.064 1.00 0.00 O ATOM 835 CB ALA A 61 -5.369 7.998 11.095 1.00 0.00 C ATOM 0 H ALA A 61 -3.287 7.870 9.851 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.377 6.217 11.907 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.311 7.842 11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.746 8.688 11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.569 8.418 10.109 1.00 0.00 H new ATOM 841 N LEU A 62 -5.746 5.522 8.990 1.00 0.00 N ATOM 842 CA LEU A 62 -6.412 4.400 8.270 1.00 0.00 C ATOM 843 C LEU A 62 -5.747 2.998 8.462 1.00 0.00 C ATOM 844 O LEU A 62 -6.467 2.060 8.799 1.00 0.00 O ATOM 845 CB LEU A 62 -6.539 4.756 6.758 1.00 0.00 C ATOM 846 CG LEU A 62 -7.573 5.848 6.379 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.326 6.353 4.948 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.021 5.337 6.490 1.00 0.00 C ATOM 0 H LEU A 62 -5.443 6.277 8.374 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.397 4.295 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.560 5.077 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.793 3.845 6.215 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.442 6.665 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.061 7.119 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.324 6.777 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.417 5.522 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.711 6.135 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.160 4.490 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.219 5.024 7.515 1.00 0.00 H new ATOM 860 N GLN A 63 -4.417 2.826 8.300 1.00 0.00 N ATOM 861 CA GLN A 63 -3.739 1.529 8.616 1.00 0.00 C ATOM 862 C GLN A 63 -3.757 1.066 10.116 1.00 0.00 C ATOM 863 O GLN A 63 -3.862 -0.135 10.379 1.00 0.00 O ATOM 864 CB GLN A 63 -2.339 1.476 7.949 1.00 0.00 C ATOM 865 CG GLN A 63 -1.202 2.258 8.650 1.00 0.00 C ATOM 866 CD GLN A 63 0.113 2.261 7.876 1.00 0.00 C ATOM 867 OE1 GLN A 63 0.962 1.392 8.044 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.316 3.220 7.005 1.00 0.00 N ATOM 0 H GLN A 63 -3.789 3.553 7.957 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.366 0.760 8.166 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.037 0.431 7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.433 1.853 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.524 3.288 8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.031 1.826 9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.391 3.942 6.867 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.181 3.244 6.466 1.00 0.00 H new ATOM 877 N GLU A 64 -3.711 1.993 11.093 1.00 0.00 N ATOM 878 CA GLU A 64 -4.072 1.705 12.513 1.00 0.00 C ATOM 879 C GLU A 64 -5.549 1.210 12.702 1.00 0.00 C ATOM 880 O GLU A 64 -5.758 0.116 13.237 1.00 0.00 O ATOM 881 CB GLU A 64 -3.758 2.959 13.380 1.00 0.00 C ATOM 882 CG GLU A 64 -2.259 3.326 13.528 1.00 0.00 C ATOM 883 CD GLU A 64 -2.031 4.665 14.227 1.00 0.00 C ATOM 884 OE1 GLU A 64 -2.024 4.540 15.587 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.877 5.725 13.626 1.00 0.00 O ATOM 0 H GLU A 64 -3.426 2.959 10.931 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.461 0.867 12.849 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.280 3.814 12.949 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.173 2.801 14.376 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.753 2.540 14.089 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.800 3.357 12.540 1.00 0.00 H new ATOM 892 N PHE A 65 -6.561 1.974 12.237 1.00 0.00 N ATOM 893 CA PHE A 65 -7.987 1.541 12.239 1.00 0.00 C ATOM 894 C PHE A 65 -8.313 0.243 11.427 1.00 0.00 C ATOM 895 O PHE A 65 -9.078 -0.588 11.906 1.00 0.00 O ATOM 896 CB PHE A 65 -8.788 2.782 11.764 1.00 0.00 C ATOM 897 CG PHE A 65 -10.320 2.650 11.831 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.995 2.791 13.049 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.050 2.376 10.671 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.380 2.653 13.104 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.433 2.235 10.733 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.099 2.374 11.945 1.00 0.00 C ATOM 0 H PHE A 65 -6.420 2.907 11.849 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.269 1.224 13.243 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.488 3.639 12.368 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.505 3.003 10.735 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.440 3.008 13.950 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.540 2.274 9.725 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.896 2.763 14.046 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.992 2.016 9.835 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.173 2.266 11.988 1.00 0.00 H new ATOM 912 N LEU A 66 -7.742 0.032 10.234 1.00 0.00 N ATOM 913 CA LEU A 66 -7.865 -1.261 9.499 1.00 0.00 C ATOM 914 C LEU A 66 -7.028 -2.459 10.070 1.00 0.00 C ATOM 915 O LEU A 66 -7.350 -3.604 9.753 1.00 0.00 O ATOM 916 CB LEU A 66 -7.566 -1.000 7.996 1.00 0.00 C ATOM 917 CG LEU A 66 -8.513 -0.015 7.253 1.00 0.00 C ATOM 918 CD1 LEU A 66 -7.946 0.329 5.868 1.00 0.00 C ATOM 919 CD2 LEU A 66 -9.948 -0.554 7.133 1.00 0.00 C ATOM 0 H LEU A 66 -7.186 0.734 9.745 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.890 -1.604 9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.548 -0.620 7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.593 -1.956 7.473 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.567 0.893 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.620 1.019 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.967 0.795 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.848 -0.582 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.567 0.173 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.939 -1.492 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.357 -0.725 8.129 1.00 0.00 H new ATOM 931 N THR A 67 -6.017 -2.236 10.935 1.00 0.00 N ATOM 932 CA THR A 67 -5.429 -3.305 11.802 1.00 0.00 C ATOM 933 C THR A 67 -6.431 -3.802 12.906 1.00 0.00 C ATOM 934 O THR A 67 -6.700 -5.003 12.964 1.00 0.00 O ATOM 935 CB THR A 67 -4.054 -2.841 12.383 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.182 -2.378 11.355 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.270 -3.952 13.099 1.00 0.00 C ATOM 0 H THR A 67 -5.581 -1.322 11.060 1.00 0.00 H new ATOM 0 HA THR A 67 -5.239 -4.179 11.179 1.00 0.00 H new ATOM 0 HB THR A 67 -4.327 -2.058 13.090 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.257 -1.404 11.276 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.329 -3.550 13.473 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.859 -4.333 13.933 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.066 -4.762 12.399 1.00 0.00 H new ATOM 945 N ASN A 68 -6.986 -2.912 13.759 1.00 0.00 N ATOM 946 CA ASN A 68 -8.112 -3.260 14.674 1.00 0.00 C ATOM 947 C ASN A 68 -9.059 -2.011 14.820 1.00 0.00 C ATOM 948 O ASN A 68 -8.678 -1.070 15.531 1.00 0.00 O ATOM 949 CB ASN A 68 -7.558 -3.781 16.031 1.00 0.00 C ATOM 950 CG ASN A 68 -8.614 -4.350 16.996 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.719 -3.841 17.156 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.304 -5.406 17.708 1.00 0.00 N ATOM 0 H ASN A 68 -6.676 -1.943 13.838 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.710 -4.072 14.261 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.818 -4.556 15.830 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.036 -2.964 16.530 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.975 -5.786 18.376 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.392 -5.848 17.594 1.00 0.00 H new ATOM 959 N PRO A 69 -10.290 -1.951 14.224 1.00 0.00 N ATOM 960 CA PRO A 69 -11.171 -0.754 14.347 1.00 0.00 C ATOM 961 C PRO A 69 -11.862 -0.516 15.726 1.00 0.00 C ATOM 962 O PRO A 69 -12.022 0.638 16.130 1.00 0.00 O ATOM 963 CB PRO A 69 -12.134 -0.897 13.155 1.00 0.00 C ATOM 964 CG PRO A 69 -12.076 -2.351 12.694 1.00 0.00 C ATOM 965 CD PRO A 69 -10.778 -2.943 13.244 1.00 0.00 C ATOM 0 HA PRO A 69 -10.582 0.162 14.314 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.149 -0.627 13.447 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.846 -0.226 12.346 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.939 -2.907 13.061 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.097 -2.412 11.606 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.954 -3.910 13.715 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.050 -3.104 12.449 1.00 0.00 H new ATOM 973 N LYS A 70 -12.223 -1.587 16.455 1.00 0.00 N ATOM 974 CA LYS A 70 -12.714 -1.504 17.861 1.00 0.00 C ATOM 975 C LYS A 70 -11.682 -1.008 18.928 1.00 0.00 C ATOM 976 O LYS A 70 -12.059 -0.282 19.849 1.00 0.00 O ATOM 977 CB LYS A 70 -13.347 -2.862 18.282 1.00 0.00 C ATOM 978 CG LYS A 70 -14.625 -3.330 17.539 1.00 0.00 C ATOM 979 CD LYS A 70 -14.366 -4.161 16.259 1.00 0.00 C ATOM 980 CE LYS A 70 -15.627 -4.789 15.640 1.00 0.00 C ATOM 981 NZ LYS A 70 -16.102 -5.958 16.409 1.00 0.00 N ATOM 0 H LYS A 70 -12.186 -2.540 16.094 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.465 -0.715 17.849 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.589 -3.636 18.162 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.580 -2.807 19.345 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.229 -3.924 18.224 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.215 -2.453 17.272 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.892 -3.521 15.515 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.658 -4.955 16.494 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.418 -4.041 15.593 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.414 -5.092 14.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.953 -6.349 15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.358 -6.684 16.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.330 -5.665 17.380 1.00 0.00 H new ATOM 994 N ALA A 71 -10.399 -1.377 18.806 1.00 0.00 N ATOM 995 CA ALA A 71 -9.301 -0.778 19.614 1.00 0.00 C ATOM 996 C ALA A 71 -8.926 0.711 19.300 1.00 0.00 C ATOM 997 O ALA A 71 -8.583 1.448 20.226 1.00 0.00 O ATOM 998 CB ALA A 71 -8.085 -1.712 19.483 1.00 0.00 C ATOM 0 H ALA A 71 -10.084 -2.093 18.152 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.663 -0.705 20.640 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.253 -1.310 20.062 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.344 -2.702 19.859 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.795 -1.787 18.435 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.988 1.172 18.034 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.811 2.621 17.685 1.00 0.00 C ATOM 1006 C VAL A 72 -10.076 3.493 18.017 1.00 0.00 C ATOM 1007 O VAL A 72 -9.919 4.563 18.614 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.273 2.765 16.217 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.168 4.225 15.708 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.870 2.139 16.041 1.00 0.00 C ATOM 0 H VAL A 72 -9.159 0.572 17.227 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.044 3.043 18.335 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.025 2.235 15.631 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.788 4.228 14.686 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.154 4.690 15.730 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.488 4.786 16.349 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.542 2.265 15.009 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.164 2.634 16.708 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.913 1.077 16.281 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.298 3.075 17.632 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.559 3.772 18.024 1.00 0.00 C ATOM 1022 C VAL A 73 -13.360 2.786 18.943 1.00 0.00 C ATOM 1023 O VAL A 73 -14.085 1.912 18.451 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.360 4.256 16.762 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.651 5.022 17.137 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.573 5.173 15.795 1.00 0.00 C ATOM 0 H VAL A 73 -11.448 2.254 17.046 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.354 4.686 18.581 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.582 3.317 16.255 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.166 5.334 16.228 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.304 4.372 17.719 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.394 5.901 17.728 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.212 5.452 14.957 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.255 6.071 16.324 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.697 4.642 15.422 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.254 2.939 20.280 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.998 2.079 21.248 1.00 0.00 C ATOM 1038 C LYS A 74 -15.521 2.420 21.279 1.00 0.00 C ATOM 1039 O LYS A 74 -15.911 3.551 21.570 1.00 0.00 O ATOM 1040 CB LYS A 74 -13.401 2.181 22.676 1.00 0.00 C ATOM 1041 CG LYS A 74 -12.076 1.430 22.934 1.00 0.00 C ATOM 1042 CD LYS A 74 -10.810 2.298 22.767 1.00 0.00 C ATOM 1043 CE LYS A 74 -9.508 1.620 23.231 1.00 0.00 C ATOM 1044 NZ LYS A 74 -9.405 1.555 24.704 1.00 0.00 N ATOM 0 H LYS A 74 -12.665 3.645 20.721 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.888 1.052 20.899 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.243 3.235 22.903 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.144 1.810 23.382 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.093 1.024 23.946 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.014 0.582 22.252 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.708 2.572 21.717 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.943 3.224 23.327 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.460 0.611 22.821 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.654 2.167 22.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.513 1.091 24.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.424 2.518 25.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.205 1.010 25.084 1.00 0.00 H new ATOM 1057 N GLY A 75 -16.369 1.434 20.959 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.808 1.685 20.637 1.00 0.00 C ATOM 1059 C GLY A 75 -18.169 2.166 19.201 1.00 0.00 C ATOM 1060 O GLY A 75 -19.138 2.913 19.014 1.00 0.00 O ATOM 0 H GLY A 75 -16.098 0.452 20.912 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -18.357 0.763 20.827 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -18.182 2.429 21.341 1.00 0.00 H new ATOM 1064 N THR A 76 -17.436 1.681 18.186 1.00 0.00 N ATOM 1065 CA THR A 76 -17.790 1.858 16.752 1.00 0.00 C ATOM 1066 C THR A 76 -18.867 0.831 16.272 1.00 0.00 C ATOM 1067 O THR A 76 -18.833 -0.352 16.625 1.00 0.00 O ATOM 1068 CB THR A 76 -16.496 1.811 15.877 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.798 2.164 14.534 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.726 0.479 15.795 1.00 0.00 C ATOM 0 H THR A 76 -16.576 1.152 18.328 1.00 0.00 H new ATOM 0 HA THR A 76 -18.249 2.839 16.634 1.00 0.00 H new ATOM 0 HB THR A 76 -15.848 2.513 16.402 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.980 2.133 13.996 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.854 0.602 15.153 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.403 0.183 16.793 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.376 -0.292 15.381 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.776 1.272 15.388 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.683 0.343 14.639 1.00 0.00 C ATOM 1080 C LYS A 77 -20.036 -0.472 13.461 1.00 0.00 C ATOM 1081 O LYS A 77 -20.722 -1.315 12.875 1.00 0.00 O ATOM 1082 CB LYS A 77 -21.919 1.151 14.152 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.849 1.660 15.280 1.00 0.00 C ATOM 1084 CD LYS A 77 -24.018 2.571 14.846 1.00 0.00 C ATOM 1085 CE LYS A 77 -23.690 3.802 13.977 1.00 0.00 C ATOM 1086 NZ LYS A 77 -23.785 3.522 12.530 1.00 0.00 N ATOM 0 H LYS A 77 -19.914 2.258 15.165 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.962 -0.438 15.347 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -21.571 2.007 13.574 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.501 0.525 13.476 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -23.264 0.795 15.798 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.242 2.204 16.004 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.735 1.958 14.300 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -24.520 2.922 15.747 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.373 4.613 14.231 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.683 4.148 14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.078 4.385 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.858 3.212 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.487 2.772 12.367 1.00 0.00 H new ATOM 1099 N MET A 78 -18.744 -0.271 13.115 1.00 0.00 N ATOM 1100 CA MET A 78 -18.047 -1.070 12.076 1.00 0.00 C ATOM 1101 C MET A 78 -17.746 -2.525 12.562 1.00 0.00 C ATOM 1102 O MET A 78 -16.801 -2.765 13.321 1.00 0.00 O ATOM 1103 CB MET A 78 -16.785 -0.291 11.607 1.00 0.00 C ATOM 1104 CG MET A 78 -15.990 -1.030 10.511 1.00 0.00 C ATOM 1105 SD MET A 78 -15.255 0.084 9.249 1.00 0.00 S ATOM 1106 CE MET A 78 -13.606 -0.721 9.253 1.00 0.00 C ATOM 0 H MET A 78 -18.157 0.444 13.544 1.00 0.00 H new ATOM 0 HA MET A 78 -18.698 -1.202 11.212 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.088 0.686 11.231 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.134 -0.116 12.464 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.194 -1.608 10.980 1.00 0.00 H new ATOM 0 HG3 MET A 78 -16.650 -1.741 10.014 1.00 0.00 H new ATOM 0 HE1 MET A 78 -12.936 -0.181 8.585 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.198 -0.709 10.264 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.704 -1.752 8.913 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.536 -3.497 12.070 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.317 -4.937 12.364 1.00 0.00 C ATOM 1118 C ALA A 79 -17.263 -5.574 11.400 1.00 0.00 C ATOM 1119 O ALA A 79 -17.580 -6.268 10.430 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.699 -5.617 12.355 1.00 0.00 C ATOM 0 H ALA A 79 -19.336 -3.316 11.464 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.872 -5.081 13.348 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.583 -6.680 12.567 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.333 -5.162 13.116 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.160 -5.491 11.375 1.00 0.00 H new ATOM 1126 N PHE A 80 -15.985 -5.301 11.703 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.820 -5.796 10.932 1.00 0.00 C ATOM 1128 C PHE A 80 -13.672 -6.109 11.946 1.00 0.00 C ATOM 1129 O PHE A 80 -13.328 -5.281 12.796 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.439 -4.728 9.863 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.342 -5.180 8.886 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.650 -6.058 7.841 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.013 -4.796 9.091 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.637 -6.577 7.039 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.002 -5.309 8.283 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.312 -6.211 7.268 1.00 0.00 C ATOM 0 H PHE A 80 -15.721 -4.723 12.501 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.037 -6.716 10.390 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.331 -4.465 9.294 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.107 -3.823 10.372 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.678 -6.334 7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.770 -4.099 9.879 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.878 -7.263 6.240 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.977 -5.008 8.443 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.524 -6.627 6.658 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.060 -7.300 11.850 1.00 0.00 N ATOM 1147 CA ALA A 81 -11.964 -7.711 12.771 1.00 0.00 C ATOM 1148 C ALA A 81 -10.581 -7.033 12.497 1.00 0.00 C ATOM 1149 O ALA A 81 -10.036 -6.385 13.396 1.00 0.00 O ATOM 1150 CB ALA A 81 -11.916 -9.252 12.758 1.00 0.00 C ATOM 0 H ALA A 81 -13.298 -8.001 11.148 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.188 -7.348 13.774 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.124 -9.597 13.422 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.873 -9.649 13.098 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.718 -9.601 11.745 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.017 -7.178 11.285 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.686 -6.608 10.963 1.00 0.00 C ATOM 1158 C GLY A 82 -8.031 -7.138 9.671 1.00 0.00 C ATOM 1159 O GLY A 82 -8.201 -8.297 9.282 1.00 0.00 O ATOM 0 H GLY A 82 -10.455 -7.681 10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.784 -5.525 10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.014 -6.806 11.798 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.206 -6.287 9.050 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.270 -6.690 7.966 1.00 0.00 C ATOM 1165 C LEU A 83 -4.832 -6.859 8.581 1.00 0.00 C ATOM 1166 O LEU A 83 -4.158 -5.837 8.775 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.300 -5.634 6.820 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.598 -5.510 5.979 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.498 -4.332 4.996 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -7.931 -6.786 5.186 1.00 0.00 C ATOM 0 H LEU A 83 -7.160 -5.294 9.278 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.571 -7.643 7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.092 -4.658 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.480 -5.858 6.138 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.401 -5.342 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.418 -4.263 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.349 -3.406 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.656 -4.491 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.850 -6.633 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.115 -7.011 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.065 -7.619 5.876 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.308 -8.083 8.912 1.00 0.00 N ATOM 1183 CA PRO A 84 -2.987 -8.239 9.596 1.00 0.00 C ATOM 1184 C PRO A 84 -1.697 -7.907 8.776 1.00 0.00 C ATOM 1185 O PRO A 84 -0.755 -7.341 9.340 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.049 -9.694 10.105 1.00 0.00 C ATOM 1187 CG PRO A 84 -3.999 -10.416 9.148 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.046 -9.360 8.796 1.00 0.00 C ATOM 0 HA PRO A 84 -2.869 -7.488 10.377 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.061 -10.155 10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.416 -9.737 11.130 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.476 -10.771 8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.454 -11.287 9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.439 -9.505 7.790 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.895 -9.395 9.478 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.660 -8.199 7.464 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.535 -7.808 6.576 1.00 0.00 C ATOM 1198 C LYS A 85 -0.562 -6.292 6.199 1.00 0.00 C ATOM 1199 O LYS A 85 -1.572 -5.753 5.729 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.565 -8.665 5.280 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.191 -10.158 5.446 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.025 -10.908 4.106 1.00 0.00 C ATOM 1203 CE LYS A 85 1.284 -10.571 3.368 1.00 0.00 C ATOM 1204 NZ LYS A 85 1.380 -11.325 2.105 1.00 0.00 N ATOM 0 H LYS A 85 -2.402 -8.710 6.985 1.00 0.00 H new ATOM 0 HA LYS A 85 0.386 -7.989 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.566 -8.607 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.117 -8.218 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.739 -10.230 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.962 -10.653 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.061 -11.981 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.869 -10.669 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.326 -9.501 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.137 -10.807 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.036 -10.840 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.731 -12.285 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.440 -11.383 1.663 1.00 0.00 H new ATOM 1217 N ILE A 86 0.606 -5.637 6.319 1.00 0.00 N ATOM 1218 CA ILE A 86 0.873 -4.305 5.687 1.00 0.00 C ATOM 1219 C ILE A 86 0.589 -4.199 4.148 1.00 0.00 C ATOM 1220 O ILE A 86 -0.007 -3.210 3.721 1.00 0.00 O ATOM 1221 CB ILE A 86 2.296 -3.796 6.100 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.603 -2.326 5.695 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.468 -4.688 5.603 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.703 -1.252 6.330 1.00 0.00 C ATOM 0 H ILE A 86 1.396 -6.002 6.851 1.00 0.00 H new ATOM 0 HA ILE A 86 0.122 -3.626 6.091 1.00 0.00 H new ATOM 0 HB ILE A 86 2.241 -3.856 7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.638 -2.106 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.524 -2.244 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.415 -4.262 5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.360 -5.692 6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.452 -4.736 4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.008 -0.267 5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.666 -1.434 6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.797 -1.293 7.415 1.00 0.00 H new ATOM 1236 N GLU A 87 0.964 -5.214 3.343 1.00 0.00 N ATOM 1237 CA GLU A 87 0.595 -5.312 1.899 1.00 0.00 C ATOM 1238 C GLU A 87 -0.929 -5.128 1.583 1.00 0.00 C ATOM 1239 O GLU A 87 -1.270 -4.259 0.781 1.00 0.00 O ATOM 1240 CB GLU A 87 1.129 -6.644 1.294 1.00 0.00 C ATOM 1241 CG GLU A 87 2.664 -6.855 1.327 1.00 0.00 C ATOM 1242 CD GLU A 87 3.132 -8.084 0.551 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.221 -7.839 -0.789 1.00 0.00 O ATOM 1244 OE2 GLU A 87 3.390 -9.162 1.079 1.00 0.00 O ATOM 0 H GLU A 87 1.533 -5.995 3.668 1.00 0.00 H new ATOM 0 HA GLU A 87 1.080 -4.460 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.660 -7.472 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.799 -6.703 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.152 -5.970 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.987 -6.946 2.364 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.840 -5.872 2.242 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.313 -5.627 2.151 1.00 0.00 C ATOM 1253 C ASP A 88 -3.788 -4.191 2.563 1.00 0.00 C ATOM 1254 O ASP A 88 -4.582 -3.588 1.837 1.00 0.00 O ATOM 1255 CB ASP A 88 -4.076 -6.710 2.966 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.965 -8.142 2.442 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -3.011 -8.879 2.670 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -5.046 -8.511 1.703 1.00 0.00 O ATOM 0 H ASP A 88 -1.590 -6.653 2.848 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.552 -5.697 1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.709 -6.690 3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.131 -6.436 2.999 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.285 -3.635 3.683 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.542 -2.220 4.084 1.00 0.00 C ATOM 1265 C ARG A 89 -2.992 -1.145 3.083 1.00 0.00 C ATOM 1266 O ARG A 89 -3.766 -0.304 2.621 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.020 -1.976 5.530 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.571 -2.921 6.631 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.314 -2.481 8.083 1.00 0.00 C ATOM 1270 NE ARG A 89 -1.865 -2.429 8.440 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.166 -3.419 8.993 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.658 -4.601 9.253 1.00 0.00 N ATOM 1273 NH2 ARG A 89 0.083 -3.203 9.287 1.00 0.00 N ATOM 0 H ARG A 89 -2.691 -4.143 4.338 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.623 -2.087 4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.933 -2.060 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.257 -0.950 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.647 -3.026 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.133 -3.909 6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.755 -1.496 8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.822 -3.169 8.759 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.368 -1.561 8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.632 -4.808 9.031 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.068 -5.317 9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.503 -2.294 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.642 -3.943 9.711 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.693 -1.183 2.726 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.099 -0.302 1.685 1.00 0.00 C ATOM 1289 C ALA A 90 -1.667 -0.437 0.231 1.00 0.00 C ATOM 1290 O ALA A 90 -1.881 0.592 -0.416 1.00 0.00 O ATOM 1291 CB ALA A 90 0.423 -0.525 1.752 1.00 0.00 C ATOM 0 H ALA A 90 -1.021 -1.824 3.148 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.382 0.725 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.915 0.099 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.786 -0.259 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.646 -1.573 1.553 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.977 -1.653 -0.269 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.759 -1.840 -1.528 1.00 0.00 C ATOM 1299 C ASN A 91 -4.200 -1.224 -1.482 1.00 0.00 C ATOM 1300 O ASN A 91 -4.572 -0.472 -2.388 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.802 -3.349 -1.902 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.490 -4.001 -2.357 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.583 -3.381 -2.897 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.362 -5.297 -2.212 1.00 0.00 N ATOM 0 H ASN A 91 -1.700 -2.528 0.176 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.237 -1.283 -2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.170 -3.900 -1.036 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.536 -3.478 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.520 -5.767 -2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.104 -5.836 -1.765 1.00 0.00 H new ATOM 1311 N LEU A 92 -4.990 -1.494 -0.421 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.294 -0.813 -0.182 1.00 0.00 C ATOM 1313 C LEU A 92 -6.234 0.743 -0.032 1.00 0.00 C ATOM 1314 O LEU A 92 -7.027 1.433 -0.672 1.00 0.00 O ATOM 1315 CB LEU A 92 -6.965 -1.510 1.032 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.470 -1.218 1.258 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.341 -1.691 0.084 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.946 -1.933 2.528 1.00 0.00 C ATOM 0 H LEU A 92 -4.751 -2.183 0.292 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.898 -0.924 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.841 -2.587 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.423 -1.221 1.933 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.575 -0.137 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.386 -1.463 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.032 -1.179 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.223 -2.767 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.005 -1.727 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.798 -3.007 2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.375 -1.574 3.384 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.294 1.302 0.752 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.060 2.779 0.847 1.00 0.00 C ATOM 1332 C ILE A 93 -4.535 3.436 -0.489 1.00 0.00 C ATOM 1333 O ILE A 93 -4.902 4.580 -0.778 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.210 3.051 2.144 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.982 2.682 3.454 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.703 4.513 2.267 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.109 2.504 4.706 1.00 0.00 C ATOM 0 H ILE A 93 -4.669 0.754 1.343 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.008 3.304 0.961 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.345 2.398 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.718 3.461 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.534 1.758 3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.126 4.622 3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.072 4.752 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.555 5.193 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.741 2.250 5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.389 1.703 4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.577 3.432 4.913 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.733 2.749 -1.328 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.539 3.123 -2.759 1.00 0.00 C ATOM 1351 C ALA A 94 -4.838 3.162 -3.640 1.00 0.00 C ATOM 1352 O ALA A 94 -5.065 4.153 -4.340 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.470 2.170 -3.325 1.00 0.00 C ATOM 0 H ALA A 94 -3.202 1.925 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.215 4.163 -2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.292 2.405 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.543 2.289 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.817 1.141 -3.237 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.711 2.136 -3.566 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.084 2.192 -4.150 1.00 0.00 C ATOM 1361 C TYR A 95 -8.033 3.297 -3.566 1.00 0.00 C ATOM 1362 O TYR A 95 -8.647 4.013 -4.355 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.676 0.757 -4.103 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.017 0.562 -4.829 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.094 0.698 -6.220 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.175 0.266 -4.103 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.320 0.577 -6.869 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.396 0.126 -4.759 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.470 0.295 -6.138 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.689 0.297 -6.761 1.00 0.00 O ATOM 0 H TYR A 95 -5.496 1.251 -3.107 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.998 2.527 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.948 0.070 -4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.805 0.472 -3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.200 0.897 -6.792 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.123 0.146 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.378 0.702 -7.940 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.286 -0.114 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.018 1.217 -6.834 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.131 3.486 -2.235 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.845 4.653 -1.624 1.00 0.00 C ATOM 1382 C LEU A 96 -8.345 6.071 -2.082 1.00 0.00 C ATOM 1383 O LEU A 96 -9.176 6.939 -2.352 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.834 4.534 -0.072 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.563 3.327 0.581 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.259 3.269 2.089 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.085 3.377 0.368 1.00 0.00 C ATOM 0 H LEU A 96 -7.726 2.848 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.865 4.593 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.794 4.508 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.272 5.446 0.334 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.187 2.429 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.777 2.418 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.185 3.159 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.600 4.189 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.548 2.512 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.484 4.290 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.304 3.364 -0.700 1.00 0.00 H new ATOM 1399 N GLU A 97 -7.022 6.296 -2.223 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.455 7.485 -2.932 1.00 0.00 C ATOM 1401 C GLU A 97 -6.869 7.647 -4.436 1.00 0.00 C ATOM 1402 O GLU A 97 -7.242 8.755 -4.832 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.908 7.449 -2.777 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.384 7.716 -1.344 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.913 7.379 -1.147 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.725 6.044 -0.926 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -2.013 8.213 -1.172 1.00 0.00 O ATOM 0 H GLU A 97 -6.310 5.666 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.888 8.365 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.549 6.473 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.474 8.189 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.540 8.767 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.977 7.134 -0.638 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.840 6.575 -5.256 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.438 6.596 -6.625 1.00 0.00 C ATOM 1416 C GLY A 98 -8.973 6.423 -6.804 1.00 0.00 C ATOM 1417 O GLY A 98 -9.416 6.197 -7.932 1.00 0.00 O ATOM 0 H GLY A 98 -6.413 5.684 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.163 7.545 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -6.953 5.809 -7.203 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.783 6.546 -5.742 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.271 6.566 -5.821 1.00 0.00 C ATOM 1423 C GLN A 99 -11.776 7.768 -4.966 1.00 0.00 C ATOM 1424 O GLN A 99 -12.191 7.621 -3.810 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.856 5.216 -5.325 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.451 3.917 -6.071 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.079 3.644 -7.441 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -12.918 2.761 -7.607 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.640 4.316 -8.478 1.00 0.00 N ATOM 0 H GLN A 99 -9.430 6.636 -4.789 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.604 6.691 -6.851 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.577 5.098 -4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.943 5.293 -5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.368 3.929 -6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.687 3.073 -5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.944 5.051 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.995 4.104 -9.411 1.00 0.00 H new ATOM 1438 N GLN A 100 -11.676 8.978 -5.533 1.00 0.00 N ATOM 1439 CA GLN A 100 -12.005 10.236 -4.823 1.00 0.00 C ATOM 1440 C GLN A 100 -12.716 11.208 -5.793 1.00 0.00 C ATOM 1441 O GLN A 100 -12.048 11.851 -6.636 1.00 0.00 O ATOM 1442 CB GLN A 100 -10.743 10.841 -4.139 1.00 0.00 C ATOM 1443 CG GLN A 100 -10.064 9.955 -3.054 1.00 0.00 C ATOM 1444 CD GLN A 100 -9.142 10.652 -2.055 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -9.470 10.823 -0.885 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -7.958 11.040 -2.462 1.00 0.00 N ATOM 1447 OXT GLN A 100 -13.963 11.332 -5.706 1.00 0.00 O ATOM 0 H GLN A 100 -11.366 9.119 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 100 -12.702 10.032 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.007 11.063 -4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.022 11.791 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.849 9.449 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.488 9.182 -3.562 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.681 10.900 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.313 11.482 -1.807 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.318 0.159 7.412 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.648 3.161 9.048 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.354 1.590 6.297 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.526 -2.805 6.240 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.188 -0.942 8.241 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.213 1.805 7.749 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.513 2.920 8.388 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.620 3.943 8.333 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.645 3.468 7.578 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.091 2.241 7.200 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.364 4.253 7.230 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.669 5.382 8.914 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.552 6.327 8.060 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.651 7.788 8.524 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.598 8.063 9.746 1.00 0.00 O HETATM 1472 O2A HEC A 101 -15.782 8.678 7.654 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.826 -0.408 6.440 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.696 0.240 5.860 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.943 -0.541 4.989 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.460 -1.818 5.078 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.558 -1.723 5.959 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.809 -0.070 4.066 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.998 -3.047 4.261 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.667 -3.611 4.779 1.00 0.00 C HETATM 1481 NC HEC A 101 -17.069 -1.548 7.463 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.692 -2.639 6.877 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.614 -3.631 6.875 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.711 -3.075 7.394 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.314 -1.818 7.717 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.534 -5.081 6.372 1.00 0.00 C HETATM 1487 CAC HEC A 101 -20.121 -3.731 7.439 1.00 0.00 C HETATM 1488 CBC HEC A 101 -20.208 -5.020 8.273 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.678 1.032 8.263 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.907 0.454 8.619 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.699 1.240 9.472 1.00 0.00 C HETATM 1492 C3D HEC A 101 -18.974 2.383 9.731 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.777 2.231 9.019 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.081 0.877 10.025 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.388 3.545 10.656 1.00 0.00 C HETATM 1496 CBD HEC A 101 -18.985 3.289 12.125 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.381 4.352 13.157 1.00 0.00 C HETATM 1498 O1D HEC A 101 -20.373 5.088 12.959 1.00 0.00 O HETATM 1499 O2D HEC A 101 -18.707 4.430 14.205 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.775 0.724 9.198 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -21.009 -0.038 10.612 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.444 1.687 10.658 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.309 -5.084 5.305 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.747 -5.610 6.910 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.488 -5.579 6.543 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.193 0.675 3.369 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -11.011 0.370 4.665 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.417 -0.920 3.508 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.630 5.168 6.700 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -11.832 4.507 8.147 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.723 3.640 6.596 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.421 2.339 12.434 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.902 3.169 12.162 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.528 -5.766 7.861 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.929 -4.805 9.305 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -21.228 -5.403 8.245 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.895 -2.845 4.709 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.781 -3.916 5.819 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.378 -4.473 4.178 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -15.169 6.320 7.039 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.559 5.912 8.026 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -18.923 4.468 10.308 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.467 3.689 10.596 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.055 5.348 9.933 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.658 5.784 8.970 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.205 -1.299 8.402 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.272 -3.810 5.904 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.475 2.079 5.876 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.736 4.080 9.627 1.00 0.00 H new HETATM 0 H2D HEC A 101 -18.089 3.671 14.254 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.730 8.912 7.565 1.00 0.00 H new