USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 MET CE :methyl -165:sc= -0.179 (180deg=-0.616) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= -0.0241 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.32) USER MOD Set 2.2: A 28 MET CE :methyl 175:sc= 0 (180deg=-0.00118) USER MOD Set 3.1: A 8 THR OG1 : rot -115:sc= 0.309 USER MOD Set 3.2: A 13 SER OG : rot 11:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.121! (180deg=-0.887!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 2.28 (180deg=1.25) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0139) USER MOD Single : A 30 ASN : amide:sc= -0.495 K(o=-0.49,f=-6.8!) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0199) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -4.16! C(o=-4.2!,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc= -0.651 K(o=-0.65,f=-2.6!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0.702 (180deg=0.469) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.040 0.631 0.265 1.00 0.00 N ATOM 2 CA MET A 1 2.643 0.141 0.341 1.00 0.00 C ATOM 3 C MET A 1 2.501 -1.173 -0.430 1.00 0.00 C ATOM 4 O MET A 1 2.228 -1.184 -1.631 1.00 0.00 O ATOM 5 CB MET A 1 1.669 1.210 -0.192 1.00 0.00 C ATOM 6 CG MET A 1 1.930 1.644 -1.632 1.00 0.00 C ATOM 7 SD MET A 1 3.610 2.256 -1.882 1.00 0.00 S ATOM 8 CE MET A 1 3.613 2.521 -3.654 1.00 0.00 C ATOM 0 H1 MET A 1 4.328 1.004 1.192 1.00 0.00 H new ATOM 0 H2 MET A 1 4.669 -0.153 -0.003 1.00 0.00 H new ATOM 0 H3 MET A 1 4.105 1.386 -0.447 1.00 0.00 H new ATOM 0 HA MET A 1 2.391 -0.050 1.384 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.652 0.824 -0.121 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.723 2.087 0.454 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.752 0.801 -2.299 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.219 2.423 -1.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.587 2.900 -3.964 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.412 1.578 -4.163 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.842 3.246 -3.915 1.00 0.00 H new ATOM 18 N LYS A 2 2.693 -2.287 0.271 1.00 0.00 N ATOM 19 CA LYS A 2 2.726 -3.605 -0.361 1.00 0.00 C ATOM 20 C LYS A 2 1.618 -4.501 0.187 1.00 0.00 C ATOM 21 O LYS A 2 1.358 -4.515 1.395 1.00 0.00 O ATOM 22 CB LYS A 2 4.097 -4.260 -0.124 1.00 0.00 C ATOM 23 CG LYS A 2 4.252 -5.635 -0.768 1.00 0.00 C ATOM 24 CD LYS A 2 5.610 -6.263 -0.459 1.00 0.00 C ATOM 25 CE LYS A 2 5.777 -7.616 -1.145 1.00 0.00 C ATOM 26 NZ LYS A 2 7.081 -8.248 -0.819 1.00 0.00 N ATOM 0 H LYS A 2 2.829 -2.304 1.282 1.00 0.00 H new ATOM 0 HA LYS A 2 2.564 -3.479 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.874 -3.600 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.262 -4.353 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.459 -6.293 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.132 -5.545 -1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.404 -5.590 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.717 -6.386 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.967 -8.279 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.696 -7.488 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.154 -9.165 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.855 -7.628 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.148 -8.395 0.208 1.00 0.00 H new ATOM 40 N VAL A 3 0.962 -5.235 -0.706 1.00 0.00 N ATOM 41 CA VAL A 3 -0.039 -6.221 -0.316 1.00 0.00 C ATOM 42 C VAL A 3 -0.079 -7.370 -1.322 1.00 0.00 C ATOM 43 O VAL A 3 -0.168 -7.149 -2.531 1.00 0.00 O ATOM 44 CB VAL A 3 -1.451 -5.592 -0.174 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.910 -4.952 -1.483 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.457 -6.636 0.306 1.00 0.00 C ATOM 0 H VAL A 3 1.108 -5.164 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 3 0.253 -6.606 0.661 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.393 -4.802 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.902 -4.521 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.209 -4.168 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.946 -5.710 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.441 -6.177 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.505 -7.453 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.144 -7.024 1.275 1.00 0.00 H new ATOM 56 N MET A 4 0.011 -8.596 -0.818 1.00 0.00 N ATOM 57 CA MET A 4 -0.041 -9.787 -1.661 1.00 0.00 C ATOM 58 C MET A 4 -1.423 -10.426 -1.569 1.00 0.00 C ATOM 59 O MET A 4 -1.802 -10.952 -0.518 1.00 0.00 O ATOM 60 CB MET A 4 1.041 -10.795 -1.240 1.00 0.00 C ATOM 61 CG MET A 4 1.042 -12.084 -2.057 1.00 0.00 C ATOM 62 SD MET A 4 2.334 -13.237 -1.544 1.00 0.00 S ATOM 63 CE MET A 4 3.807 -12.288 -1.924 1.00 0.00 C ATOM 0 H MET A 4 0.121 -8.792 0.177 1.00 0.00 H new ATOM 0 HA MET A 4 0.148 -9.494 -2.694 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.018 -10.321 -1.328 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.901 -11.044 -0.188 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.070 -12.569 -1.963 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.176 -11.841 -3.111 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.676 -12.946 -1.918 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.703 -11.833 -2.909 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.939 -11.506 -1.176 1.00 0.00 H new ATOM 73 N ILE A 5 -2.179 -10.360 -2.659 1.00 0.00 N ATOM 74 CA ILE A 5 -3.519 -10.933 -2.699 1.00 0.00 C ATOM 75 C ILE A 5 -3.432 -12.443 -2.906 1.00 0.00 C ATOM 76 O ILE A 5 -3.021 -12.913 -3.969 1.00 0.00 O ATOM 77 CB ILE A 5 -4.373 -10.295 -3.823 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.419 -8.764 -3.658 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.787 -10.882 -3.829 1.00 0.00 C ATOM 80 CD1 ILE A 5 -5.017 -8.299 -2.343 1.00 0.00 C ATOM 0 H ILE A 5 -1.886 -9.914 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.005 -10.722 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.908 -10.525 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.406 -8.370 -3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.997 -8.338 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.369 -10.420 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.734 -11.958 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.266 -10.687 -2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.012 -7.210 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.042 -8.661 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.427 -8.692 -1.516 1.00 0.00 H new ATOM 92 N ARG A 6 -3.810 -13.198 -1.881 1.00 0.00 N ATOM 93 CA ARG A 6 -3.700 -14.651 -1.910 1.00 0.00 C ATOM 94 C ARG A 6 -5.058 -15.297 -2.168 1.00 0.00 C ATOM 95 O ARG A 6 -6.002 -15.115 -1.392 1.00 0.00 O ATOM 96 CB ARG A 6 -3.132 -15.172 -0.581 1.00 0.00 C ATOM 97 CG ARG A 6 -1.741 -14.644 -0.237 1.00 0.00 C ATOM 98 CD ARG A 6 -1.201 -15.296 1.031 1.00 0.00 C ATOM 99 NE ARG A 6 -1.160 -16.755 0.906 1.00 0.00 N ATOM 100 CZ ARG A 6 -1.089 -17.607 1.930 1.00 0.00 C ATOM 101 NH1 ARG A 6 -1.014 -17.166 3.181 1.00 0.00 N ATOM 102 NH2 ARG A 6 -1.090 -18.908 1.691 1.00 0.00 N ATOM 0 H ARG A 6 -4.198 -12.825 -1.015 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.024 -14.917 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.818 -14.904 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.095 -16.261 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.061 -14.837 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.782 -13.563 -0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.199 -14.919 1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.827 -15.019 1.879 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.188 -17.149 -0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.010 -16.163 3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.960 -17.830 3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.145 -19.250 0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.036 -19.569 2.466 1.00 0.00 H new ATOM 116 N LYS A 7 -5.163 -16.034 -3.266 1.00 0.00 N ATOM 117 CA LYS A 7 -6.332 -16.864 -3.514 1.00 0.00 C ATOM 118 C LYS A 7 -6.121 -18.218 -2.854 1.00 0.00 C ATOM 119 O LYS A 7 -5.087 -18.858 -3.059 1.00 0.00 O ATOM 120 CB LYS A 7 -6.587 -17.042 -5.015 1.00 0.00 C ATOM 121 CG LYS A 7 -6.918 -15.744 -5.746 1.00 0.00 C ATOM 122 CD LYS A 7 -7.422 -16.015 -7.160 1.00 0.00 C ATOM 123 CE LYS A 7 -6.382 -16.745 -8.003 1.00 0.00 C ATOM 124 NZ LYS A 7 -6.900 -17.096 -9.351 1.00 0.00 N ATOM 0 H LYS A 7 -4.453 -16.073 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.208 -16.372 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.705 -17.490 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.409 -17.744 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.675 -15.193 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.031 -15.112 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.334 -16.610 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.682 -15.072 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.496 -16.118 -8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.071 -17.653 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.104 -17.321 -9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.528 -17.922 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.431 -16.291 -9.739 1.00 0.00 H new ATOM 138 N THR A 8 -7.089 -18.642 -2.060 1.00 0.00 N ATOM 139 CA THR A 8 -6.961 -19.857 -1.266 1.00 0.00 C ATOM 140 C THR A 8 -8.274 -20.634 -1.253 1.00 0.00 C ATOM 141 O THR A 8 -9.327 -20.090 -1.589 1.00 0.00 O ATOM 142 CB THR A 8 -6.540 -19.519 0.189 1.00 0.00 C ATOM 143 OG1 THR A 8 -7.338 -18.432 0.691 1.00 0.00 O ATOM 144 CG2 THR A 8 -5.059 -19.148 0.271 1.00 0.00 C ATOM 0 H THR A 8 -7.980 -18.160 -1.946 1.00 0.00 H new ATOM 0 HA THR A 8 -6.189 -20.476 -1.723 1.00 0.00 H new ATOM 0 HB THR A 8 -6.703 -20.408 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.764 -17.656 0.861 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.798 -18.917 1.304 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.454 -19.985 -0.077 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.867 -18.277 -0.355 1.00 0.00 H new ATOM 152 N ALA A 9 -8.206 -21.906 -0.865 1.00 0.00 N ATOM 153 CA ALA A 9 -9.399 -22.737 -0.725 1.00 0.00 C ATOM 154 C ALA A 9 -10.270 -22.212 0.413 1.00 0.00 C ATOM 155 O ALA A 9 -11.474 -22.465 0.467 1.00 0.00 O ATOM 156 CB ALA A 9 -9.008 -24.189 -0.475 1.00 0.00 C ATOM 0 H ALA A 9 -7.334 -22.385 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.971 -22.692 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.908 -24.796 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.416 -24.556 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.420 -24.255 0.440 1.00 0.00 H new ATOM 162 N THR A 10 -9.635 -21.482 1.328 1.00 0.00 N ATOM 163 CA THR A 10 -10.331 -20.815 2.422 1.00 0.00 C ATOM 164 C THR A 10 -11.226 -19.690 1.880 1.00 0.00 C ATOM 165 O THR A 10 -12.105 -19.178 2.580 1.00 0.00 O ATOM 166 CB THR A 10 -9.308 -20.240 3.432 1.00 0.00 C ATOM 167 OG1 THR A 10 -8.338 -21.248 3.751 1.00 0.00 O ATOM 168 CG2 THR A 10 -9.984 -19.772 4.718 1.00 0.00 C ATOM 0 H THR A 10 -8.625 -21.338 1.330 1.00 0.00 H new ATOM 0 HA THR A 10 -10.959 -21.546 2.932 1.00 0.00 H new ATOM 0 HB THR A 10 -8.828 -19.378 2.969 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.688 -20.886 4.389 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.232 -19.375 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.710 -18.993 4.485 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.493 -20.613 5.188 1.00 0.00 H new ATOM 176 N GLY A 11 -10.996 -19.316 0.622 1.00 0.00 N ATOM 177 CA GLY A 11 -11.806 -18.305 -0.029 1.00 0.00 C ATOM 178 C GLY A 11 -10.966 -17.167 -0.568 1.00 0.00 C ATOM 179 O GLY A 11 -10.362 -17.276 -1.636 1.00 0.00 O ATOM 0 H GLY A 11 -10.254 -19.702 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.367 -18.760 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.536 -17.913 0.680 1.00 0.00 H new ATOM 183 N HIS A 12 -10.920 -16.069 0.174 1.00 0.00 N ATOM 184 CA HIS A 12 -10.161 -14.892 -0.227 1.00 0.00 C ATOM 185 C HIS A 12 -9.295 -14.432 0.939 1.00 0.00 C ATOM 186 O HIS A 12 -9.797 -14.259 2.047 1.00 0.00 O ATOM 187 CB HIS A 12 -11.114 -13.759 -0.646 1.00 0.00 C ATOM 188 CG HIS A 12 -12.189 -14.184 -1.602 1.00 0.00 C ATOM 189 ND1 HIS A 12 -13.423 -14.634 -1.187 1.00 0.00 N ATOM 190 CD2 HIS A 12 -12.216 -14.220 -2.956 1.00 0.00 C ATOM 191 CE1 HIS A 12 -14.160 -14.926 -2.240 1.00 0.00 C ATOM 192 NE2 HIS A 12 -13.453 -14.683 -3.327 1.00 0.00 N ATOM 0 H HIS A 12 -11.405 -15.969 1.066 1.00 0.00 H new ATOM 0 HA HIS A 12 -9.528 -15.147 -1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.581 -13.343 0.247 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.531 -12.959 -1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.413 -13.937 -3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.172 -15.301 -2.217 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -13.774 -14.817 -4.286 1.00 0.00 H new ATOM 201 N SER A 13 -8.004 -14.239 0.698 1.00 0.00 N ATOM 202 CA SER A 13 -7.085 -13.789 1.740 1.00 0.00 C ATOM 203 C SER A 13 -6.108 -12.760 1.176 1.00 0.00 C ATOM 204 O SER A 13 -5.792 -12.781 -0.014 1.00 0.00 O ATOM 205 CB SER A 13 -6.338 -14.993 2.339 1.00 0.00 C ATOM 206 OG SER A 13 -5.821 -15.839 1.321 1.00 0.00 O ATOM 0 H SER A 13 -7.567 -14.387 -0.212 1.00 0.00 H new ATOM 0 HA SER A 13 -7.655 -13.310 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.523 -14.640 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.013 -15.561 2.979 1.00 0.00 H new ATOM 0 HG SER A 13 -5.902 -15.393 0.452 1.00 0.00 H new ATOM 212 N ALA A 14 -5.643 -11.854 2.028 1.00 0.00 N ATOM 213 CA ALA A 14 -4.719 -10.806 1.610 1.00 0.00 C ATOM 214 C ALA A 14 -3.670 -10.550 2.686 1.00 0.00 C ATOM 215 O ALA A 14 -4.004 -10.404 3.863 1.00 0.00 O ATOM 216 CB ALA A 14 -5.481 -9.519 1.302 1.00 0.00 C ATOM 0 H ALA A 14 -5.892 -11.824 3.017 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.211 -11.140 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.778 -8.746 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.196 -9.703 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.013 -9.189 2.194 1.00 0.00 H new ATOM 222 N TYR A 15 -2.404 -10.513 2.277 1.00 0.00 N ATOM 223 CA TYR A 15 -1.311 -10.173 3.180 1.00 0.00 C ATOM 224 C TYR A 15 -0.926 -8.710 2.983 1.00 0.00 C ATOM 225 O TYR A 15 -0.275 -8.357 1.999 1.00 0.00 O ATOM 226 CB TYR A 15 -0.092 -11.080 2.933 1.00 0.00 C ATOM 227 CG TYR A 15 1.085 -10.782 3.853 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.168 -11.356 5.117 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.109 -9.920 3.460 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.228 -11.083 5.959 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.171 -9.644 4.298 1.00 0.00 C ATOM 232 CZ TYR A 15 3.226 -10.226 5.546 1.00 0.00 C ATOM 233 OH TYR A 15 4.285 -9.957 6.384 1.00 0.00 O ATOM 0 H TYR A 15 -2.111 -10.716 1.321 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.644 -10.327 4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.391 -12.120 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.230 -10.969 1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.389 -12.028 5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.070 -9.461 2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.275 -11.539 6.937 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.955 -8.975 3.977 1.00 0.00 H new ATOM 0 HH TYR A 15 4.902 -9.336 5.943 1.00 0.00 H new ATOM 243 N VAL A 16 -1.350 -7.867 3.909 1.00 0.00 N ATOM 244 CA VAL A 16 -1.049 -6.444 3.860 1.00 0.00 C ATOM 245 C VAL A 16 0.236 -6.150 4.629 1.00 0.00 C ATOM 246 O VAL A 16 0.235 -6.149 5.858 1.00 0.00 O ATOM 247 CB VAL A 16 -2.204 -5.606 4.463 1.00 0.00 C ATOM 248 CG1 VAL A 16 -1.886 -4.115 4.386 1.00 0.00 C ATOM 249 CG2 VAL A 16 -3.526 -5.923 3.764 1.00 0.00 C ATOM 0 H VAL A 16 -1.911 -8.147 4.714 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.924 -6.168 2.813 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.308 -5.874 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.710 -3.545 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.973 -3.908 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.748 -3.826 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.323 -5.323 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.441 -5.691 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.758 -6.981 3.887 1.00 0.00 H new ATOM 259 N ALA A 17 1.324 -5.898 3.904 1.00 0.00 N ATOM 260 CA ALA A 17 2.624 -5.634 4.525 1.00 0.00 C ATOM 261 C ALA A 17 2.585 -4.361 5.372 1.00 0.00 C ATOM 262 O ALA A 17 3.298 -4.244 6.366 1.00 0.00 O ATOM 263 CB ALA A 17 3.710 -5.535 3.460 1.00 0.00 C ATOM 0 H ALA A 17 1.333 -5.871 2.884 1.00 0.00 H new ATOM 0 HA ALA A 17 2.857 -6.468 5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.670 -5.339 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.764 -6.473 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.473 -4.722 2.773 1.00 0.00 H new ATOM 269 N LYS A 18 1.735 -3.416 4.969 1.00 0.00 N ATOM 270 CA LYS A 18 1.553 -2.161 5.703 1.00 0.00 C ATOM 271 C LYS A 18 1.183 -2.430 7.166 1.00 0.00 C ATOM 272 O LYS A 18 1.756 -1.841 8.084 1.00 0.00 O ATOM 273 CB LYS A 18 0.462 -1.311 5.021 1.00 0.00 C ATOM 274 CG LYS A 18 0.030 -0.074 5.813 1.00 0.00 C ATOM 275 CD LYS A 18 1.177 0.913 6.038 1.00 0.00 C ATOM 276 CE LYS A 18 1.677 1.526 4.733 1.00 0.00 C ATOM 277 NZ LYS A 18 2.786 2.489 4.962 1.00 0.00 N ATOM 0 H LYS A 18 1.157 -3.496 4.132 1.00 0.00 H new ATOM 0 HA LYS A 18 2.495 -1.612 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.826 -0.992 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.412 -1.938 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.778 0.429 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.370 -0.387 6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.844 1.707 6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.001 0.402 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.016 0.733 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.853 2.034 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.097 2.883 4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.455 3.259 5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.582 1.999 5.418 1.00 0.00 H new ATOM 291 N LYS A 19 0.233 -3.336 7.367 1.00 0.00 N ATOM 292 CA LYS A 19 -0.257 -3.674 8.704 1.00 0.00 C ATOM 293 C LYS A 19 0.415 -4.972 9.179 1.00 0.00 C ATOM 294 O LYS A 19 0.354 -5.327 10.355 1.00 0.00 O ATOM 295 CB LYS A 19 -1.797 -3.827 8.651 1.00 0.00 C ATOM 296 CG LYS A 19 -2.551 -3.523 9.955 1.00 0.00 C ATOM 297 CD LYS A 19 -2.314 -4.568 11.046 1.00 0.00 C ATOM 298 CE LYS A 19 -3.272 -4.402 12.224 1.00 0.00 C ATOM 299 NZ LYS A 19 -3.172 -3.062 12.860 1.00 0.00 N ATOM 0 H LYS A 19 -0.219 -3.856 6.615 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.010 -2.883 9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.181 -3.169 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.030 -4.848 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.244 -2.545 10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.619 -3.463 9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.431 -5.565 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.287 -4.492 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.294 -4.562 11.881 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.062 -5.170 12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.780 -3.032 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.186 -2.882 13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.480 -2.333 12.185 1.00 0.00 H new ATOM 313 N ASP A 20 1.088 -5.651 8.243 1.00 0.00 N ATOM 314 CA ASP A 20 1.637 -6.993 8.478 1.00 0.00 C ATOM 315 C ASP A 20 0.498 -7.949 8.818 1.00 0.00 C ATOM 316 O ASP A 20 0.671 -8.924 9.551 1.00 0.00 O ATOM 317 CB ASP A 20 2.701 -6.982 9.591 1.00 0.00 C ATOM 318 CG ASP A 20 3.973 -6.256 9.180 1.00 0.00 C ATOM 319 OD1 ASP A 20 4.796 -6.855 8.453 1.00 0.00 O ATOM 320 OD2 ASP A 20 4.159 -5.084 9.580 1.00 0.00 O ATOM 0 H ASP A 20 1.267 -5.289 7.306 1.00 0.00 H new ATOM 0 HA ASP A 20 2.134 -7.333 7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.287 -6.506 10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.946 -8.008 9.864 1.00 0.00 H new ATOM 325 N LEU A 21 -0.663 -7.664 8.235 1.00 0.00 N ATOM 326 CA LEU A 21 -1.897 -8.386 8.524 1.00 0.00 C ATOM 327 C LEU A 21 -2.272 -9.312 7.373 1.00 0.00 C ATOM 328 O LEU A 21 -2.442 -8.863 6.240 1.00 0.00 O ATOM 329 CB LEU A 21 -3.037 -7.381 8.754 1.00 0.00 C ATOM 330 CG LEU A 21 -4.441 -7.988 8.921 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.536 -8.785 10.216 1.00 0.00 C ATOM 332 CD2 LEU A 21 -5.513 -6.901 8.867 1.00 0.00 C ATOM 0 H LEU A 21 -0.774 -6.921 7.545 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.739 -8.988 9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.806 -6.796 9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.059 -6.687 7.914 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.615 -8.673 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.537 -9.205 10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.804 -9.593 10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.335 -8.129 11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.497 -7.354 8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.344 -6.183 9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.464 -6.389 7.906 1.00 0.00 H new ATOM 344 N GLU A 22 -2.393 -10.599 7.664 1.00 0.00 N ATOM 345 CA GLU A 22 -2.934 -11.556 6.709 1.00 0.00 C ATOM 346 C GLU A 22 -4.330 -11.961 7.163 1.00 0.00 C ATOM 347 O GLU A 22 -4.481 -12.680 8.154 1.00 0.00 O ATOM 348 CB GLU A 22 -2.037 -12.794 6.602 1.00 0.00 C ATOM 349 CG GLU A 22 -2.459 -13.756 5.496 1.00 0.00 C ATOM 350 CD GLU A 22 -1.675 -15.055 5.514 1.00 0.00 C ATOM 351 OE1 GLU A 22 -0.553 -15.089 4.959 1.00 0.00 O ATOM 352 OE2 GLU A 22 -2.169 -16.046 6.090 1.00 0.00 O ATOM 0 H GLU A 22 -2.122 -11.007 8.559 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.979 -11.092 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.010 -12.475 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.045 -13.322 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.521 -13.977 5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.327 -13.271 4.529 1.00 0.00 H new ATOM 359 N GLU A 23 -5.348 -11.497 6.450 1.00 0.00 N ATOM 360 CA GLU A 23 -6.730 -11.732 6.855 1.00 0.00 C ATOM 361 C GLU A 23 -7.588 -12.110 5.650 1.00 0.00 C ATOM 362 O GLU A 23 -7.184 -11.912 4.500 1.00 0.00 O ATOM 363 CB GLU A 23 -7.292 -10.477 7.554 1.00 0.00 C ATOM 364 CG GLU A 23 -8.639 -10.689 8.239 1.00 0.00 C ATOM 365 CD GLU A 23 -8.639 -11.863 9.208 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.247 -11.682 10.374 1.00 0.00 O ATOM 367 OE2 GLU A 23 -9.036 -12.976 8.802 1.00 0.00 O ATOM 0 H GLU A 23 -5.245 -10.957 5.591 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.754 -12.565 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.570 -10.135 8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.394 -9.680 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.913 -9.782 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.404 -10.852 7.480 1.00 0.00 H new ATOM 374 N LEU A 24 -8.761 -12.668 5.925 1.00 0.00 N ATOM 375 CA LEU A 24 -9.696 -13.078 4.888 1.00 0.00 C ATOM 376 C LEU A 24 -10.495 -11.882 4.374 1.00 0.00 C ATOM 377 O LEU A 24 -10.947 -11.037 5.158 1.00 0.00 O ATOM 378 CB LEU A 24 -10.653 -14.149 5.436 1.00 0.00 C ATOM 379 CG LEU A 24 -9.979 -15.421 5.983 1.00 0.00 C ATOM 380 CD1 LEU A 24 -11.022 -16.388 6.540 1.00 0.00 C ATOM 381 CD2 LEU A 24 -9.140 -16.098 4.899 1.00 0.00 C ATOM 0 H LEU A 24 -9.089 -12.848 6.874 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.126 -13.495 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.251 -13.705 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.342 -14.436 4.642 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.314 -15.130 6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.524 -17.280 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.571 -15.905 7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.716 -16.670 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.673 -16.994 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.781 -16.372 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.367 -15.411 4.555 1.00 0.00 H new ATOM 393 N ILE A 25 -10.659 -11.811 3.058 1.00 0.00 N ATOM 394 CA ILE A 25 -11.474 -10.779 2.432 1.00 0.00 C ATOM 395 C ILE A 25 -12.945 -11.189 2.490 1.00 0.00 C ATOM 396 O ILE A 25 -13.474 -11.816 1.568 1.00 0.00 O ATOM 397 CB ILE A 25 -11.042 -10.523 0.964 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.540 -10.183 0.901 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.879 -9.405 0.341 1.00 0.00 C ATOM 400 CD1 ILE A 25 -9.011 -9.970 -0.505 1.00 0.00 C ATOM 0 H ILE A 25 -10.233 -12.463 2.399 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.331 -9.848 2.981 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.214 -11.432 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.358 -9.282 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.976 -10.988 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.560 -9.242 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.932 -9.688 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.743 -8.487 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.947 -9.735 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.159 -10.877 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.546 -9.144 -0.974 1.00 0.00 H new ATOM 412 N VAL A 26 -13.576 -10.874 3.614 1.00 0.00 N ATOM 413 CA VAL A 26 -14.979 -11.204 3.845 1.00 0.00 C ATOM 414 C VAL A 26 -15.895 -10.307 3.024 1.00 0.00 C ATOM 415 O VAL A 26 -17.009 -10.697 2.664 1.00 0.00 O ATOM 416 CB VAL A 26 -15.347 -11.070 5.342 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.678 -12.173 6.162 1.00 0.00 C ATOM 418 CG2 VAL A 26 -14.962 -9.688 5.873 1.00 0.00 C ATOM 0 H VAL A 26 -13.132 -10.384 4.390 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.119 -12.240 3.535 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.427 -11.181 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.949 -12.061 7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.011 -13.147 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.596 -12.099 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.230 -9.616 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.888 -9.541 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.494 -8.921 5.310 1.00 0.00 H new ATOM 428 N GLU A 27 -15.420 -9.105 2.736 1.00 0.00 N ATOM 429 CA GLU A 27 -16.190 -8.125 1.987 1.00 0.00 C ATOM 430 C GLU A 27 -15.373 -7.618 0.802 1.00 0.00 C ATOM 431 O GLU A 27 -14.235 -7.179 0.966 1.00 0.00 O ATOM 432 CB GLU A 27 -16.603 -6.976 2.913 1.00 0.00 C ATOM 433 CG GLU A 27 -17.563 -7.409 4.018 1.00 0.00 C ATOM 434 CD GLU A 27 -18.007 -6.259 4.907 1.00 0.00 C ATOM 435 OE1 GLU A 27 -18.957 -5.542 4.526 1.00 0.00 O ATOM 436 OE2 GLU A 27 -17.418 -6.072 5.991 1.00 0.00 O ATOM 0 H GLU A 27 -14.493 -8.783 3.014 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.096 -8.590 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.710 -6.544 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.072 -6.191 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.441 -7.872 3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.081 -8.170 4.632 1.00 0.00 H new ATOM 443 N MET A 28 -15.954 -7.702 -0.388 1.00 0.00 N ATOM 444 CA MET A 28 -15.252 -7.359 -1.622 1.00 0.00 C ATOM 445 C MET A 28 -16.204 -6.718 -2.631 1.00 0.00 C ATOM 446 O MET A 28 -17.374 -7.098 -2.727 1.00 0.00 O ATOM 447 CB MET A 28 -14.598 -8.617 -2.220 1.00 0.00 C ATOM 448 CG MET A 28 -15.558 -9.787 -2.366 1.00 0.00 C ATOM 449 SD MET A 28 -14.780 -11.258 -3.061 1.00 0.00 S ATOM 450 CE MET A 28 -16.208 -12.324 -3.254 1.00 0.00 C ATOM 0 H MET A 28 -16.917 -8.007 -0.527 1.00 0.00 H new ATOM 0 HA MET A 28 -14.473 -6.633 -1.388 1.00 0.00 H new ATOM 0 HB2 MET A 28 -14.184 -8.372 -3.198 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.763 -8.919 -1.588 1.00 0.00 H new ATOM 0 HG2 MET A 28 -15.975 -10.031 -1.389 1.00 0.00 H new ATOM 0 HG3 MET A 28 -16.391 -9.489 -3.003 1.00 0.00 H new ATOM 0 HE1 MET A 28 -15.910 -13.244 -3.756 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.619 -12.563 -2.273 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.965 -11.814 -3.850 1.00 0.00 H new ATOM 460 N GLU A 29 -15.683 -5.745 -3.372 1.00 0.00 N ATOM 461 CA GLU A 29 -16.457 -4.989 -4.358 1.00 0.00 C ATOM 462 C GLU A 29 -17.066 -5.908 -5.415 1.00 0.00 C ATOM 463 O GLU A 29 -18.276 -5.898 -5.648 1.00 0.00 O ATOM 464 CB GLU A 29 -15.541 -3.961 -5.036 1.00 0.00 C ATOM 465 CG GLU A 29 -16.238 -3.040 -6.033 1.00 0.00 C ATOM 466 CD GLU A 29 -17.203 -2.077 -5.364 1.00 0.00 C ATOM 467 OE1 GLU A 29 -16.742 -1.056 -4.815 1.00 0.00 O ATOM 468 OE2 GLU A 29 -18.425 -2.330 -5.391 1.00 0.00 O ATOM 0 H GLU A 29 -14.707 -5.455 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.274 -4.485 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.072 -3.350 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.741 -4.493 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.488 -2.472 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.779 -3.643 -6.762 1.00 0.00 H new ATOM 475 N ASN A 30 -16.214 -6.704 -6.046 1.00 0.00 N ATOM 476 CA ASN A 30 -16.621 -7.541 -7.172 1.00 0.00 C ATOM 477 C ASN A 30 -17.090 -8.912 -6.675 1.00 0.00 C ATOM 478 O ASN A 30 -16.564 -9.421 -5.684 1.00 0.00 O ATOM 479 CB ASN A 30 -15.438 -7.695 -8.140 1.00 0.00 C ATOM 480 CG ASN A 30 -15.814 -8.375 -9.446 1.00 0.00 C ATOM 481 OD1 ASN A 30 -15.747 -9.598 -9.564 1.00 0.00 O ATOM 482 ND2 ASN A 30 -16.212 -7.584 -10.433 1.00 0.00 N ATOM 0 H ASN A 30 -15.229 -6.790 -5.797 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.453 -7.068 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.025 -6.710 -8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.651 -8.270 -7.652 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.477 -7.985 -11.333 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.253 -6.575 -10.293 1.00 0.00 H new ATOM 489 N PRO A 31 -18.109 -9.516 -7.333 1.00 0.00 N ATOM 490 CA PRO A 31 -18.588 -10.868 -7.000 1.00 0.00 C ATOM 491 C PRO A 31 -17.450 -11.895 -6.954 1.00 0.00 C ATOM 492 O PRO A 31 -17.509 -12.869 -6.200 1.00 0.00 O ATOM 493 CB PRO A 31 -19.585 -11.199 -8.134 1.00 0.00 C ATOM 494 CG PRO A 31 -19.367 -10.145 -9.173 1.00 0.00 C ATOM 495 CD PRO A 31 -18.900 -8.928 -8.426 1.00 0.00 C ATOM 0 HA PRO A 31 -19.039 -10.905 -6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.403 -12.194 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.612 -11.186 -7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.625 -10.464 -9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.287 -9.939 -9.721 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.299 -8.270 -9.055 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.735 -8.336 -8.051 1.00 0.00 H new ATOM 503 N ALA A 32 -16.421 -11.680 -7.770 1.00 0.00 N ATOM 504 CA ALA A 32 -15.235 -12.529 -7.747 1.00 0.00 C ATOM 505 C ALA A 32 -14.272 -12.060 -6.667 1.00 0.00 C ATOM 506 O ALA A 32 -14.008 -12.784 -5.702 1.00 0.00 O ATOM 507 CB ALA A 32 -14.539 -12.531 -9.101 1.00 0.00 C ATOM 0 H ALA A 32 -16.385 -10.925 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.553 -13.547 -7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.658 -13.172 -9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.223 -12.908 -9.861 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.236 -11.515 -9.356 1.00 0.00 H new ATOM 513 N LEU A 33 -13.758 -10.837 -6.839 1.00 0.00 N ATOM 514 CA LEU A 33 -12.785 -10.266 -5.913 1.00 0.00 C ATOM 515 C LEU A 33 -12.319 -8.891 -6.401 1.00 0.00 C ATOM 516 O LEU A 33 -12.694 -7.857 -5.841 1.00 0.00 O ATOM 517 CB LEU A 33 -11.577 -11.206 -5.767 1.00 0.00 C ATOM 518 CG LEU A 33 -10.590 -10.842 -4.643 1.00 0.00 C ATOM 519 CD1 LEU A 33 -11.304 -10.757 -3.296 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.444 -11.852 -4.587 1.00 0.00 C ATOM 0 H LEU A 33 -14.004 -10.224 -7.616 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.264 -10.147 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.944 -12.217 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.035 -11.223 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.171 -9.860 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.585 -10.499 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.079 -9.992 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.759 -11.720 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.757 -11.578 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.845 -12.847 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.912 -11.852 -5.538 1.00 0.00 H new ATOM 532 N TRP A 34 -11.520 -8.897 -7.468 1.00 0.00 N ATOM 533 CA TRP A 34 -10.917 -7.680 -8.012 1.00 0.00 C ATOM 534 C TRP A 34 -11.972 -6.812 -8.694 1.00 0.00 C ATOM 535 O TRP A 34 -12.619 -7.255 -9.644 1.00 0.00 O ATOM 536 CB TRP A 34 -9.812 -8.048 -9.015 1.00 0.00 C ATOM 537 CG TRP A 34 -8.695 -8.850 -8.411 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.759 -10.138 -7.956 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.344 -8.421 -8.203 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.537 -10.529 -7.471 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.651 -9.494 -7.614 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.653 -7.233 -8.458 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.306 -9.414 -7.275 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.316 -7.155 -8.122 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.655 -8.240 -7.536 1.00 0.00 C ATOM 0 H TRP A 34 -11.273 -9.744 -7.979 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.483 -7.112 -7.190 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -10.252 -8.614 -9.836 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.401 -7.133 -9.443 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.643 -10.757 -7.976 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.323 -11.442 -7.069 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.156 -6.391 -8.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.793 -10.249 -6.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.772 -6.242 -8.315 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.609 -8.148 -7.285 1.00 0.00 H new ATOM 556 N GLY A 35 -12.128 -5.575 -8.219 1.00 0.00 N ATOM 557 CA GLY A 35 -13.155 -4.698 -8.756 1.00 0.00 C ATOM 558 C GLY A 35 -12.931 -3.238 -8.406 1.00 0.00 C ATOM 559 O GLY A 35 -12.907 -2.379 -9.292 1.00 0.00 O ATOM 0 H GLY A 35 -11.563 -5.167 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -13.186 -4.805 -9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -14.128 -5.012 -8.377 1.00 0.00 H new ATOM 563 N GLY A 36 -12.754 -2.953 -7.119 1.00 0.00 N ATOM 564 CA GLY A 36 -12.615 -1.577 -6.672 1.00 0.00 C ATOM 565 C GLY A 36 -12.060 -1.485 -5.266 1.00 0.00 C ATOM 566 O GLY A 36 -10.944 -1.011 -5.062 1.00 0.00 O ATOM 0 H GLY A 36 -12.704 -3.651 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.958 -1.039 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.587 -1.085 -6.710 1.00 0.00 H new ATOM 570 N LYS A 37 -12.837 -1.948 -4.294 1.00 0.00 N ATOM 571 CA LYS A 37 -12.412 -1.953 -2.896 1.00 0.00 C ATOM 572 C LYS A 37 -12.719 -3.298 -2.236 1.00 0.00 C ATOM 573 O LYS A 37 -13.522 -4.080 -2.747 1.00 0.00 O ATOM 574 CB LYS A 37 -13.075 -0.788 -2.124 1.00 0.00 C ATOM 575 CG LYS A 37 -14.597 -0.645 -2.306 1.00 0.00 C ATOM 576 CD LYS A 37 -15.405 -1.770 -1.647 1.00 0.00 C ATOM 577 CE LYS A 37 -15.294 -1.759 -0.123 1.00 0.00 C ATOM 578 NZ LYS A 37 -15.971 -0.583 0.488 1.00 0.00 N ATOM 0 H LYS A 37 -13.771 -2.328 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.332 -1.809 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.865 -0.915 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.602 0.144 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.916 0.311 -1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.826 -0.621 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.453 -1.675 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.058 -2.731 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.731 -2.674 0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.242 -1.757 0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.956 -0.673 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.474 0.287 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.957 -0.540 0.159 1.00 0.00 H new ATOM 592 N VAL A 38 -12.064 -3.557 -1.111 1.00 0.00 N ATOM 593 CA VAL A 38 -12.293 -4.760 -0.313 1.00 0.00 C ATOM 594 C VAL A 38 -12.109 -4.432 1.166 1.00 0.00 C ATOM 595 O VAL A 38 -11.647 -3.342 1.516 1.00 0.00 O ATOM 596 CB VAL A 38 -11.339 -5.929 -0.700 1.00 0.00 C ATOM 597 CG1 VAL A 38 -11.595 -6.406 -2.128 1.00 0.00 C ATOM 598 CG2 VAL A 38 -9.876 -5.527 -0.519 1.00 0.00 C ATOM 0 H VAL A 38 -11.354 -2.936 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.313 -5.089 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.549 -6.760 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.913 -7.222 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.624 -6.755 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.431 -5.582 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.232 -6.362 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.653 -4.670 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.698 -5.262 0.523 1.00 0.00 H new ATOM 608 N THR A 39 -12.485 -5.363 2.029 1.00 0.00 N ATOM 609 CA THR A 39 -12.339 -5.192 3.468 1.00 0.00 C ATOM 610 C THR A 39 -11.964 -6.523 4.125 1.00 0.00 C ATOM 611 O THR A 39 -12.627 -7.542 3.904 1.00 0.00 O ATOM 612 CB THR A 39 -13.646 -4.650 4.095 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.069 -3.474 3.388 1.00 0.00 O ATOM 614 CG2 THR A 39 -13.454 -4.315 5.572 1.00 0.00 C ATOM 0 H THR A 39 -12.898 -6.254 1.755 1.00 0.00 H new ATOM 0 HA THR A 39 -11.543 -4.468 3.643 1.00 0.00 H new ATOM 0 HB THR A 39 -14.408 -5.426 4.016 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.897 -3.133 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.390 -3.937 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.156 -5.213 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.679 -3.556 5.675 1.00 0.00 H new ATOM 622 N LEU A 40 -10.886 -6.514 4.908 1.00 0.00 N ATOM 623 CA LEU A 40 -10.465 -7.698 5.654 1.00 0.00 C ATOM 624 C LEU A 40 -11.386 -7.919 6.854 1.00 0.00 C ATOM 625 O LEU A 40 -12.000 -6.975 7.352 1.00 0.00 O ATOM 626 CB LEU A 40 -9.004 -7.569 6.125 1.00 0.00 C ATOM 627 CG LEU A 40 -7.926 -7.629 5.023 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.143 -8.832 4.109 1.00 0.00 C ATOM 629 CD2 LEU A 40 -7.877 -6.335 4.219 1.00 0.00 C ATOM 0 H LEU A 40 -10.288 -5.699 5.042 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.531 -8.558 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.898 -6.624 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.804 -8.364 6.844 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.961 -7.748 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.369 -8.850 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.093 -9.749 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.122 -8.757 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.107 -6.412 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.844 -6.163 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.645 -5.502 4.883 1.00 0.00 H new ATOM 641 N ALA A 41 -11.458 -9.163 7.322 1.00 0.00 N ATOM 642 CA ALA A 41 -12.349 -9.544 8.424 1.00 0.00 C ATOM 643 C ALA A 41 -12.063 -8.760 9.712 1.00 0.00 C ATOM 644 O ALA A 41 -12.901 -8.709 10.615 1.00 0.00 O ATOM 645 CB ALA A 41 -12.247 -11.043 8.681 1.00 0.00 C ATOM 0 H ALA A 41 -10.904 -9.935 6.952 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.365 -9.292 8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.911 -11.318 9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.536 -11.587 7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.221 -11.298 8.945 1.00 0.00 H new ATOM 651 N ASN A 42 -10.877 -8.157 9.800 1.00 0.00 N ATOM 652 CA ASN A 42 -10.495 -7.373 10.982 1.00 0.00 C ATOM 653 C ASN A 42 -10.878 -5.905 10.822 1.00 0.00 C ATOM 654 O ASN A 42 -10.496 -5.063 11.638 1.00 0.00 O ATOM 655 CB ASN A 42 -8.991 -7.497 11.258 1.00 0.00 C ATOM 656 CG ASN A 42 -8.615 -8.858 11.816 1.00 0.00 C ATOM 657 OD1 ASN A 42 -9.404 -9.500 12.511 1.00 0.00 O ATOM 658 ND2 ASN A 42 -7.406 -9.304 11.523 1.00 0.00 N ATOM 0 H ASN A 42 -10.164 -8.194 9.071 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.042 -7.779 11.833 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.439 -7.321 10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.689 -6.722 11.963 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.097 -10.210 11.876 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.782 -8.742 10.944 1.00 0.00 H new ATOM 665 N GLY A 43 -11.634 -5.606 9.770 1.00 0.00 N ATOM 666 CA GLY A 43 -12.123 -4.255 9.556 1.00 0.00 C ATOM 667 C GLY A 43 -11.065 -3.330 8.993 1.00 0.00 C ATOM 668 O GLY A 43 -11.048 -2.136 9.298 1.00 0.00 O ATOM 0 H GLY A 43 -11.918 -6.279 9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.973 -4.285 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.486 -3.851 10.501 1.00 0.00 H new ATOM 672 N TRP A 44 -10.169 -3.881 8.182 1.00 0.00 N ATOM 673 CA TRP A 44 -9.155 -3.087 7.499 1.00 0.00 C ATOM 674 C TRP A 44 -9.508 -3.009 6.013 1.00 0.00 C ATOM 675 O TRP A 44 -9.559 -4.036 5.337 1.00 0.00 O ATOM 676 CB TRP A 44 -7.768 -3.725 7.697 1.00 0.00 C ATOM 677 CG TRP A 44 -6.618 -2.787 7.448 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.007 -1.986 8.371 1.00 0.00 C ATOM 679 CD2 TRP A 44 -5.941 -2.551 6.205 1.00 0.00 C ATOM 680 NE1 TRP A 44 -4.993 -1.273 7.781 1.00 0.00 N ATOM 681 CE2 TRP A 44 -4.934 -1.598 6.454 1.00 0.00 C ATOM 682 CE3 TRP A 44 -6.087 -3.050 4.911 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -4.079 -1.138 5.455 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -5.240 -2.591 3.921 1.00 0.00 C ATOM 685 CH2 TRP A 44 -4.248 -1.643 4.197 1.00 0.00 C ATOM 0 H TRP A 44 -10.125 -4.880 7.981 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.127 -2.080 7.914 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.698 -4.106 8.716 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.675 -4.581 7.029 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.282 -1.923 9.414 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.382 -0.608 8.256 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.849 -3.782 4.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.311 -0.409 5.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.345 -2.971 2.915 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -3.603 -1.304 3.400 1.00 0.00 H new ATOM 696 N GLN A 45 -9.781 -1.806 5.514 1.00 0.00 N ATOM 697 CA GLN A 45 -10.186 -1.631 4.119 1.00 0.00 C ATOM 698 C GLN A 45 -8.973 -1.490 3.208 1.00 0.00 C ATOM 699 O GLN A 45 -7.998 -0.815 3.546 1.00 0.00 O ATOM 700 CB GLN A 45 -11.095 -0.406 3.936 1.00 0.00 C ATOM 701 CG GLN A 45 -12.427 -0.476 4.670 1.00 0.00 C ATOM 702 CD GLN A 45 -12.287 -0.289 6.167 1.00 0.00 C ATOM 703 OE1 GLN A 45 -12.186 -1.255 6.921 1.00 0.00 O ATOM 704 NE2 GLN A 45 -12.245 0.959 6.601 1.00 0.00 N ATOM 0 H GLN A 45 -9.730 -0.940 6.051 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.745 -2.526 3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.557 0.480 4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.290 -0.273 2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.095 0.290 4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.895 -1.440 4.472 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.333 1.732 5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.125 1.149 7.596 1.00 0.00 H new ATOM 713 N LEU A 46 -9.064 -2.117 2.043 1.00 0.00 N ATOM 714 CA LEU A 46 -8.004 -2.093 1.047 1.00 0.00 C ATOM 715 C LEU A 46 -8.609 -1.868 -0.333 1.00 0.00 C ATOM 716 O LEU A 46 -9.671 -2.406 -0.643 1.00 0.00 O ATOM 717 CB LEU A 46 -7.234 -3.424 1.070 1.00 0.00 C ATOM 718 CG LEU A 46 -6.142 -3.581 -0.002 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.017 -2.573 0.213 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.604 -5.009 -0.009 1.00 0.00 C ATOM 0 H LEU A 46 -9.881 -2.660 1.762 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.313 -1.281 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.773 -3.539 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.949 -4.239 0.956 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.586 -3.379 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.258 -2.705 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.419 -1.561 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.569 -2.731 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.832 -5.103 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.179 -5.242 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.416 -5.703 -0.226 1.00 0.00 H new ATOM 732 N GLU A 47 -7.955 -1.056 -1.148 1.00 0.00 N ATOM 733 CA GLU A 47 -8.393 -0.851 -2.522 1.00 0.00 C ATOM 734 C GLU A 47 -7.893 -1.999 -3.398 1.00 0.00 C ATOM 735 O GLU A 47 -6.721 -2.374 -3.325 1.00 0.00 O ATOM 736 CB GLU A 47 -7.873 0.488 -3.051 1.00 0.00 C ATOM 737 CG GLU A 47 -8.429 0.862 -4.417 1.00 0.00 C ATOM 738 CD GLU A 47 -7.806 2.133 -4.970 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.303 3.234 -4.651 1.00 0.00 O ATOM 740 OE2 GLU A 47 -6.810 2.035 -5.717 1.00 0.00 O ATOM 0 H GLU A 47 -7.122 -0.529 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.482 -0.832 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.125 1.273 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.785 0.448 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.254 0.042 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.509 0.993 -4.343 1.00 0.00 H new ATOM 747 N LEU A 48 -8.779 -2.553 -4.219 1.00 0.00 N ATOM 748 CA LEU A 48 -8.434 -3.687 -5.071 1.00 0.00 C ATOM 749 C LEU A 48 -8.929 -3.449 -6.499 1.00 0.00 C ATOM 750 O LEU A 48 -10.110 -3.663 -6.796 1.00 0.00 O ATOM 751 CB LEU A 48 -9.036 -4.982 -4.512 1.00 0.00 C ATOM 752 CG LEU A 48 -8.495 -6.275 -5.144 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.985 -6.385 -4.945 1.00 0.00 C ATOM 754 CD2 LEU A 48 -9.202 -7.497 -4.569 1.00 0.00 C ATOM 0 H LEU A 48 -9.744 -2.235 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.349 -3.787 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.853 -5.016 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.117 -4.952 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.697 -6.237 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.624 -7.307 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.493 -5.533 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.758 -6.394 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.802 -8.400 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.039 -7.538 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.271 -7.428 -4.772 1.00 0.00 H new ATOM 766 N PRO A 49 -8.034 -2.990 -7.397 1.00 0.00 N ATOM 767 CA PRO A 49 -8.389 -2.677 -8.790 1.00 0.00 C ATOM 768 C PRO A 49 -8.930 -3.892 -9.546 1.00 0.00 C ATOM 769 O PRO A 49 -8.649 -5.038 -9.187 1.00 0.00 O ATOM 770 CB PRO A 49 -7.059 -2.206 -9.409 1.00 0.00 C ATOM 771 CG PRO A 49 -6.206 -1.820 -8.246 1.00 0.00 C ATOM 772 CD PRO A 49 -6.604 -2.741 -7.126 1.00 0.00 C ATOM 0 HA PRO A 49 -9.185 -1.934 -8.844 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.593 -2.999 -9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.214 -1.363 -10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.148 -1.927 -8.484 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.367 -0.777 -7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.024 -3.664 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.452 -2.280 -6.150 1.00 0.00 H new ATOM 780 N ALA A 50 -9.707 -3.639 -10.594 1.00 0.00 N ATOM 781 CA ALA A 50 -10.252 -4.709 -11.420 1.00 0.00 C ATOM 782 C ALA A 50 -9.178 -5.250 -12.361 1.00 0.00 C ATOM 783 O ALA A 50 -9.083 -4.842 -13.521 1.00 0.00 O ATOM 784 CB ALA A 50 -11.468 -4.217 -12.200 1.00 0.00 C ATOM 0 H ALA A 50 -9.973 -2.700 -10.891 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.577 -5.522 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.861 -5.029 -12.811 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.236 -3.882 -11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.176 -3.387 -12.844 1.00 0.00 H new ATOM 790 N MET A 51 -8.343 -6.142 -11.835 1.00 0.00 N ATOM 791 CA MET A 51 -7.256 -6.741 -12.605 1.00 0.00 C ATOM 792 C MET A 51 -7.500 -8.238 -12.805 1.00 0.00 C ATOM 793 O MET A 51 -8.558 -8.759 -12.434 1.00 0.00 O ATOM 794 CB MET A 51 -5.911 -6.507 -11.899 1.00 0.00 C ATOM 795 CG MET A 51 -5.538 -5.035 -11.759 1.00 0.00 C ATOM 796 SD MET A 51 -5.368 -4.203 -13.351 1.00 0.00 S ATOM 797 CE MET A 51 -4.946 -2.541 -12.828 1.00 0.00 C ATOM 0 H MET A 51 -8.399 -6.468 -10.870 1.00 0.00 H new ATOM 0 HA MET A 51 -7.223 -6.265 -13.585 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.948 -6.959 -10.908 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.126 -7.020 -12.454 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.300 -4.526 -11.168 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.600 -4.953 -11.209 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.809 -1.908 -13.704 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.750 -2.139 -12.211 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.022 -2.565 -12.250 1.00 0.00 H new ATOM 807 N ALA A 52 -6.516 -8.916 -13.393 1.00 0.00 N ATOM 808 CA ALA A 52 -6.616 -10.338 -13.707 1.00 0.00 C ATOM 809 C ALA A 52 -6.763 -11.185 -12.444 1.00 0.00 C ATOM 810 O ALA A 52 -5.789 -11.435 -11.732 1.00 0.00 O ATOM 811 CB ALA A 52 -5.396 -10.783 -14.508 1.00 0.00 C ATOM 0 H ALA A 52 -5.628 -8.494 -13.665 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.513 -10.487 -14.308 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.479 -11.845 -14.738 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.343 -10.214 -15.436 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.493 -10.608 -13.923 1.00 0.00 H new ATOM 817 N ALA A 53 -7.990 -11.613 -12.168 1.00 0.00 N ATOM 818 CA ALA A 53 -8.269 -12.497 -11.042 1.00 0.00 C ATOM 819 C ALA A 53 -7.995 -13.948 -11.431 1.00 0.00 C ATOM 820 O ALA A 53 -7.815 -14.814 -10.572 1.00 0.00 O ATOM 821 CB ALA A 53 -9.714 -12.328 -10.583 1.00 0.00 C ATOM 0 H ALA A 53 -8.814 -11.359 -12.714 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.612 -12.231 -10.214 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.909 -12.994 -9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.879 -11.296 -10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.388 -12.574 -11.404 1.00 0.00 H new ATOM 827 N ASP A 54 -7.940 -14.192 -12.740 1.00 0.00 N ATOM 828 CA ASP A 54 -7.724 -15.534 -13.283 1.00 0.00 C ATOM 829 C ASP A 54 -6.275 -15.981 -13.103 1.00 0.00 C ATOM 830 O ASP A 54 -5.928 -17.118 -13.436 1.00 0.00 O ATOM 831 CB ASP A 54 -8.087 -15.572 -14.774 1.00 0.00 C ATOM 832 CG ASP A 54 -7.111 -14.779 -15.633 1.00 0.00 C ATOM 833 OD1 ASP A 54 -7.136 -13.534 -15.573 1.00 0.00 O ATOM 834 OD2 ASP A 54 -6.314 -15.397 -16.379 1.00 0.00 O ATOM 0 H ASP A 54 -8.043 -13.469 -13.452 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.369 -16.218 -12.732 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.106 -16.608 -15.114 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.092 -15.173 -14.910 1.00 0.00 H new ATOM 839 N THR A 55 -5.435 -15.081 -12.592 1.00 0.00 N ATOM 840 CA THR A 55 -4.027 -15.382 -12.362 1.00 0.00 C ATOM 841 C THR A 55 -3.880 -16.608 -11.446 1.00 0.00 C ATOM 842 O THR A 55 -4.588 -16.730 -10.445 1.00 0.00 O ATOM 843 CB THR A 55 -3.284 -14.164 -11.751 1.00 0.00 C ATOM 844 OG1 THR A 55 -1.884 -14.447 -11.632 1.00 0.00 O ATOM 845 CG2 THR A 55 -3.848 -13.787 -10.382 1.00 0.00 C ATOM 0 H THR A 55 -5.709 -14.134 -12.329 1.00 0.00 H new ATOM 0 HA THR A 55 -3.573 -15.607 -13.327 1.00 0.00 H new ATOM 0 HB THR A 55 -3.432 -13.319 -12.424 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.425 -13.671 -11.247 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.302 -12.930 -9.987 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.903 -13.531 -10.481 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.742 -14.631 -9.700 1.00 0.00 H new ATOM 853 N PRO A 56 -2.976 -17.545 -11.793 1.00 0.00 N ATOM 854 CA PRO A 56 -2.789 -18.790 -11.042 1.00 0.00 C ATOM 855 C PRO A 56 -1.797 -18.644 -9.886 1.00 0.00 C ATOM 856 O PRO A 56 -1.351 -19.639 -9.308 1.00 0.00 O ATOM 857 CB PRO A 56 -2.226 -19.718 -12.116 1.00 0.00 C ATOM 858 CG PRO A 56 -1.373 -18.819 -12.946 1.00 0.00 C ATOM 859 CD PRO A 56 -2.068 -17.478 -12.959 1.00 0.00 C ATOM 0 HA PRO A 56 -3.707 -19.138 -10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.645 -20.531 -11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.020 -20.175 -12.707 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.371 -18.735 -12.525 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.262 -19.211 -13.957 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.357 -16.657 -12.867 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.618 -17.320 -13.887 1.00 0.00 H new ATOM 867 N LEU A 57 -1.446 -17.407 -9.554 1.00 0.00 N ATOM 868 CA LEU A 57 -0.479 -17.139 -8.493 1.00 0.00 C ATOM 869 C LEU A 57 -0.901 -15.932 -7.652 1.00 0.00 C ATOM 870 O LEU A 57 -1.643 -15.068 -8.126 1.00 0.00 O ATOM 871 CB LEU A 57 0.928 -16.944 -9.104 1.00 0.00 C ATOM 872 CG LEU A 57 1.017 -16.025 -10.343 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.887 -14.550 -9.965 1.00 0.00 C ATOM 874 CD2 LEU A 57 2.320 -16.273 -11.101 1.00 0.00 C ATOM 0 H LEU A 57 -1.817 -16.571 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.446 -17.997 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.583 -16.541 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.321 -17.924 -9.376 1.00 0.00 H new ATOM 0 HG LEU A 57 0.179 -16.271 -10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.955 -13.937 -10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.076 -14.382 -9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.689 -14.278 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.366 -15.617 -11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.167 -16.067 -10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.359 -17.312 -11.428 1.00 0.00 H new ATOM 886 N PRO A 58 -0.459 -15.873 -6.377 1.00 0.00 N ATOM 887 CA PRO A 58 -0.733 -14.729 -5.503 1.00 0.00 C ATOM 888 C PRO A 58 0.068 -13.500 -5.933 1.00 0.00 C ATOM 889 O PRO A 58 1.281 -13.426 -5.720 1.00 0.00 O ATOM 890 CB PRO A 58 -0.294 -15.222 -4.115 1.00 0.00 C ATOM 891 CG PRO A 58 0.740 -16.262 -4.393 1.00 0.00 C ATOM 892 CD PRO A 58 0.334 -16.917 -5.690 1.00 0.00 C ATOM 0 HA PRO A 58 -1.777 -14.417 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.114 -14.408 -3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.134 -15.637 -3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.731 -15.815 -4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.786 -16.992 -3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.203 -17.212 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.255 -17.818 -5.517 1.00 0.00 H new ATOM 900 N ILE A 59 -0.612 -12.552 -6.564 1.00 0.00 N ATOM 901 CA ILE A 59 0.036 -11.355 -7.091 1.00 0.00 C ATOM 902 C ILE A 59 0.082 -10.243 -6.039 1.00 0.00 C ATOM 903 O ILE A 59 -0.867 -10.050 -5.272 1.00 0.00 O ATOM 904 CB ILE A 59 -0.684 -10.843 -8.370 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.041 -9.537 -8.879 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.177 -10.655 -8.113 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.705 -8.959 -10.114 1.00 0.00 C ATOM 0 H ILE A 59 -1.619 -12.588 -6.725 1.00 0.00 H new ATOM 0 HA ILE A 59 1.058 -11.629 -7.353 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.569 -11.597 -9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.073 -8.794 -8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.010 -9.724 -9.099 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.660 -10.296 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.618 -11.607 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.320 -9.927 -7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.193 -8.042 -10.407 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.650 -9.681 -10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.750 -8.737 -9.895 1.00 0.00 H new ATOM 919 N THR A 60 1.205 -9.533 -6.001 1.00 0.00 N ATOM 920 CA THR A 60 1.387 -8.403 -5.101 1.00 0.00 C ATOM 921 C THR A 60 1.068 -7.092 -5.822 1.00 0.00 C ATOM 922 O THR A 60 1.564 -6.843 -6.925 1.00 0.00 O ATOM 923 CB THR A 60 2.834 -8.354 -4.567 1.00 0.00 C ATOM 924 OG1 THR A 60 3.157 -9.592 -3.921 1.00 0.00 O ATOM 925 CG2 THR A 60 3.026 -7.199 -3.590 1.00 0.00 C ATOM 0 H THR A 60 2.013 -9.726 -6.593 1.00 0.00 H new ATOM 0 HA THR A 60 0.704 -8.530 -4.261 1.00 0.00 H new ATOM 0 HB THR A 60 3.501 -8.197 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.077 -9.556 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.056 -7.192 -3.232 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.811 -6.257 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.349 -7.321 -2.745 1.00 0.00 H new ATOM 933 N VAL A 61 0.239 -6.261 -5.197 1.00 0.00 N ATOM 934 CA VAL A 61 -0.163 -4.982 -5.771 1.00 0.00 C ATOM 935 C VAL A 61 0.071 -3.846 -4.776 1.00 0.00 C ATOM 936 O VAL A 61 0.467 -4.086 -3.629 1.00 0.00 O ATOM 937 CB VAL A 61 -1.651 -5.001 -6.205 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.881 -6.049 -7.293 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.569 -5.252 -5.008 1.00 0.00 C ATOM 0 H VAL A 61 -0.171 -6.454 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 61 0.451 -4.813 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.896 -4.021 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.931 -6.047 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.264 -5.815 -8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.612 -7.034 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.607 -5.260 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.325 -6.214 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.431 -4.461 -4.271 1.00 0.00 H new ATOM 949 N GLU A 62 -0.162 -2.615 -5.223 1.00 0.00 N ATOM 950 CA GLU A 62 0.008 -1.438 -4.375 1.00 0.00 C ATOM 951 C GLU A 62 -1.120 -1.360 -3.349 1.00 0.00 C ATOM 952 O GLU A 62 -2.298 -1.345 -3.707 1.00 0.00 O ATOM 953 CB GLU A 62 0.041 -0.152 -5.221 1.00 0.00 C ATOM 954 CG GLU A 62 1.291 0.009 -6.088 1.00 0.00 C ATOM 955 CD GLU A 62 1.438 -1.072 -7.149 1.00 0.00 C ATOM 956 OE1 GLU A 62 0.643 -1.073 -8.113 1.00 0.00 O ATOM 957 OE2 GLU A 62 2.349 -1.923 -7.030 1.00 0.00 O ATOM 0 H GLU A 62 -0.471 -2.406 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 62 0.960 -1.530 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.837 -0.135 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.036 0.707 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.262 0.984 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.172 -0.001 -5.446 1.00 0.00 H new ATOM 964 N ALA A 63 -0.756 -1.318 -2.073 1.00 0.00 N ATOM 965 CA ALA A 63 -1.737 -1.278 -0.994 1.00 0.00 C ATOM 966 C ALA A 63 -2.235 0.146 -0.746 1.00 0.00 C ATOM 967 O ALA A 63 -1.490 0.996 -0.253 1.00 0.00 O ATOM 968 CB ALA A 63 -1.138 -1.858 0.286 1.00 0.00 C ATOM 0 H ALA A 63 0.214 -1.311 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.591 -1.884 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.880 -1.822 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.841 -2.892 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.265 -1.274 0.576 1.00 0.00 H new ATOM 974 N ARG A 64 -3.493 0.407 -1.097 1.00 0.00 N ATOM 975 CA ARG A 64 -4.132 1.680 -0.770 1.00 0.00 C ATOM 976 C ARG A 64 -5.073 1.489 0.416 1.00 0.00 C ATOM 977 O ARG A 64 -6.058 0.754 0.322 1.00 0.00 O ATOM 978 CB ARG A 64 -4.916 2.262 -1.964 1.00 0.00 C ATOM 979 CG ARG A 64 -4.055 2.685 -3.156 1.00 0.00 C ATOM 980 CD ARG A 64 -3.658 1.502 -4.030 1.00 0.00 C ATOM 981 NE ARG A 64 -2.788 1.905 -5.140 1.00 0.00 N ATOM 982 CZ ARG A 64 -3.144 1.881 -6.428 1.00 0.00 C ATOM 983 NH1 ARG A 64 -4.396 1.604 -6.777 1.00 0.00 N ATOM 984 NH2 ARG A 64 -2.252 2.180 -7.363 1.00 0.00 N ATOM 0 H ARG A 64 -4.089 -0.245 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.344 2.389 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.639 1.519 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.484 3.126 -1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.602 3.411 -3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.156 3.184 -2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.146 0.757 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.555 1.027 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.847 2.226 -4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.094 1.408 -6.060 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.659 1.588 -7.762 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.299 2.427 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.520 2.163 -8.347 1.00 0.00 H new ATOM 998 N LYS A 65 -4.747 2.132 1.533 1.00 0.00 N ATOM 999 CA LYS A 65 -5.584 2.084 2.728 1.00 0.00 C ATOM 1000 C LYS A 65 -6.771 3.028 2.573 1.00 0.00 C ATOM 1001 O LYS A 65 -6.598 4.214 2.284 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.760 2.453 3.975 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.591 2.707 5.238 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.471 1.517 5.616 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.241 1.766 6.912 1.00 0.00 C ATOM 1006 NZ LYS A 65 -8.152 2.938 6.812 1.00 0.00 N ATOM 0 H LYS A 65 -3.903 2.696 1.636 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.960 1.069 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.052 1.649 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.174 3.346 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.922 2.937 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.220 3.584 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.175 1.315 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.851 0.628 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.821 0.878 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.535 1.926 7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.496 3.192 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.637 3.744 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.960 2.698 6.203 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.969 2.490 2.757 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.196 3.269 2.654 1.00 0.00 C ATOM 1022 C LEU A 66 -9.686 3.661 4.046 1.00 0.00 C ATOM 1023 O LEU A 66 -9.642 4.865 4.379 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.265 2.459 1.910 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.906 2.092 0.459 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -10.986 1.214 -0.163 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.682 3.352 -0.380 1.00 0.00 C ATOM 1028 OXT LEU A 66 -10.068 2.758 4.818 1.00 0.00 O ATOM 0 H LEU A 66 -8.118 1.506 2.981 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.997 4.181 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.456 1.541 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.194 3.028 1.906 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.976 1.524 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.709 0.968 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.087 0.296 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.935 1.749 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.429 3.069 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.592 3.953 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.865 3.933 0.048 1.00 0.00 H new TER 1040 LEU A 66