USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 ASN : amide:sc= 0.276 K(o=0.28,f=-0.6) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 1.18 K(o=2.2,f=-7.3!) USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 1.05 USER MOD Single : A 2 LYS NZ :NH3+ 157:sc= 0.361 (180deg=-0.221) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= 1.21 (180deg=1.06) USER MOD Single : A 9 THR OG1 : rot -35:sc= 0.298 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.294 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0759 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.8) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -2.53! (180deg=-3.75!) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.135) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 1.22 (180deg=0.874) USER MOD Single : A 32 MET CE :methyl -118:sc= 0 (180deg=-0.286) USER MOD Single : A 34 ASN : amide:sc= -2.1 K(o=-2.1,f=-4.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -2.49 K(o=-2.5,f=-8.8!) USER MOD Single : A 44 THR OG1 : rot 26:sc= 0.71 USER MOD Single : A 51 THR OG1 : rot -81:sc= 1.69 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= -0.0366 (180deg=-0.241) USER MOD Single : A 71 ASN : amide:sc= -0.0603 K(o=-0.06,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= -0.0452 (180deg=-0.318) USER MOD Single : A 78 LYS NZ :NH3+ 142:sc= 1.21 (180deg=0.972) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0188) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0706) USER MOD Single : A 97 ASN : amide:sc= 1.2 K(o=1.2,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.991 3.520 -8.620 1.00 0.00 N ATOM 21 CA LYS A 2 -12.686 2.879 -8.654 1.00 0.00 C ATOM 22 C LYS A 2 -11.751 3.563 -7.668 1.00 0.00 C ATOM 23 O LYS A 2 -11.130 4.582 -7.981 1.00 0.00 O ATOM 24 CB LYS A 2 -12.111 2.906 -10.071 1.00 0.00 C ATOM 25 CG LYS A 2 -13.063 2.337 -11.113 1.00 0.00 C ATOM 26 CD LYS A 2 -12.418 2.250 -12.486 1.00 0.00 C ATOM 27 CE LYS A 2 -11.346 1.171 -12.536 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.899 -0.178 -12.241 1.00 0.00 N ATOM 0 HA LYS A 2 -12.793 1.835 -8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.863 3.934 -10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.180 2.339 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.389 1.345 -10.802 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.954 2.962 -11.170 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.182 2.039 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.977 3.213 -12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.883 1.165 -13.523 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.561 1.406 -11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.277 -0.905 -12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.958 -0.311 -11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.849 -0.262 -12.656 1.00 0.00 H new ATOM 42 N ARG A 3 -11.682 3.003 -6.468 1.00 0.00 N ATOM 43 CA ARG A 3 -10.944 3.604 -5.366 1.00 0.00 C ATOM 44 C ARG A 3 -9.438 3.546 -5.605 1.00 0.00 C ATOM 45 O ARG A 3 -8.891 2.486 -5.911 1.00 0.00 O ATOM 46 CB ARG A 3 -11.284 2.874 -4.063 1.00 0.00 C ATOM 47 CG ARG A 3 -10.770 3.574 -2.821 1.00 0.00 C ATOM 48 CD ARG A 3 -11.534 4.859 -2.561 1.00 0.00 C ATOM 49 NE ARG A 3 -12.903 4.609 -2.114 1.00 0.00 N ATOM 50 CZ ARG A 3 -13.742 5.565 -1.715 1.00 0.00 C ATOM 51 NH1 ARG A 3 -13.368 6.842 -1.743 1.00 0.00 N ATOM 52 NH2 ARG A 3 -14.957 5.239 -1.289 1.00 0.00 N ATOM 0 H ARG A 3 -12.135 2.120 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.236 4.652 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.366 2.768 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.867 1.868 -4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.865 2.911 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.709 3.796 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.009 5.445 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.555 5.457 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.236 3.645 -2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.435 7.093 -2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.014 7.569 -1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.245 4.261 -1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.602 5.967 -0.983 1.00 0.00 H new ATOM 66 N LYS A 4 -8.775 4.691 -5.476 1.00 0.00 N ATOM 67 CA LYS A 4 -7.322 4.744 -5.548 1.00 0.00 C ATOM 68 C LYS A 4 -6.709 4.465 -4.183 1.00 0.00 C ATOM 69 O LYS A 4 -7.050 5.110 -3.191 1.00 0.00 O ATOM 70 CB LYS A 4 -6.849 6.105 -6.058 1.00 0.00 C ATOM 71 CG LYS A 4 -7.225 6.377 -7.503 1.00 0.00 C ATOM 72 CD LYS A 4 -6.528 5.419 -8.460 1.00 0.00 C ATOM 73 CE LYS A 4 -5.009 5.526 -8.382 1.00 0.00 C ATOM 74 NZ LYS A 4 -4.513 6.854 -8.833 1.00 0.00 N ATOM 0 H LYS A 4 -9.223 5.594 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.995 3.976 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.273 6.887 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.765 6.165 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.305 6.286 -7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.961 7.403 -7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.830 4.397 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.853 5.627 -9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.687 5.350 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.560 4.745 -8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.492 6.797 -9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.011 7.134 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.689 7.561 -8.091 1.00 0.00 H new ATOM 88 N ILE A 5 -5.822 3.487 -4.141 1.00 0.00 N ATOM 89 CA ILE A 5 -5.095 3.159 -2.924 1.00 0.00 C ATOM 90 C ILE A 5 -3.596 3.185 -3.198 1.00 0.00 C ATOM 91 O ILE A 5 -3.133 2.628 -4.193 1.00 0.00 O ATOM 92 CB ILE A 5 -5.481 1.760 -2.382 1.00 0.00 C ATOM 93 CG1 ILE A 5 -6.982 1.687 -2.073 1.00 0.00 C ATOM 94 CG2 ILE A 5 -4.666 1.425 -1.136 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.439 0.326 -1.580 1.00 0.00 C ATOM 0 H ILE A 5 -5.585 2.901 -4.942 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.360 3.903 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.255 1.025 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.226 2.437 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.542 1.944 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.951 0.439 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.605 1.428 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.860 2.169 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.511 0.352 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.228 -0.426 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.907 0.074 -0.663 1.00 0.00 H new ATOM 107 N ILE A 6 -2.845 3.853 -2.340 1.00 0.00 N ATOM 108 CA ILE A 6 -1.396 3.831 -2.437 1.00 0.00 C ATOM 109 C ILE A 6 -0.830 2.890 -1.382 1.00 0.00 C ATOM 110 O ILE A 6 -1.162 2.987 -0.201 1.00 0.00 O ATOM 111 CB ILE A 6 -0.741 5.236 -2.308 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.135 5.960 -1.002 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.089 6.088 -3.523 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.516 6.588 -1.015 1.00 0.00 C ATOM 0 H ILE A 6 -3.212 4.415 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.153 3.474 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 6 0.338 5.087 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.083 5.248 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.399 6.738 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.626 7.070 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.719 5.602 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.171 6.202 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.704 7.073 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.572 7.328 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.266 5.815 -1.184 1.00 0.00 H new ATOM 126 N ALA A 7 -0.006 1.955 -1.817 1.00 0.00 N ATOM 127 CA ALA A 7 0.535 0.949 -0.922 1.00 0.00 C ATOM 128 C ALA A 7 2.039 0.830 -1.089 1.00 0.00 C ATOM 129 O ALA A 7 2.518 0.388 -2.129 1.00 0.00 O ATOM 130 CB ALA A 7 -0.134 -0.394 -1.173 1.00 0.00 C ATOM 0 H ALA A 7 0.304 1.871 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 7 0.330 1.257 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.281 -1.140 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.207 -0.304 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.043 -0.702 -2.203 1.00 0.00 H new ATOM 136 N VAL A 8 2.776 1.230 -0.071 1.00 0.00 N ATOM 137 CA VAL A 8 4.225 1.147 -0.110 1.00 0.00 C ATOM 138 C VAL A 8 4.693 -0.126 0.581 1.00 0.00 C ATOM 139 O VAL A 8 4.410 -0.353 1.758 1.00 0.00 O ATOM 140 CB VAL A 8 4.888 2.375 0.546 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.402 2.274 0.466 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.401 3.654 -0.113 1.00 0.00 C ATOM 0 H VAL A 8 2.396 1.616 0.794 1.00 0.00 H new ATOM 0 HA VAL A 8 4.526 1.127 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 8 4.604 2.399 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.850 3.150 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.735 1.375 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.709 2.224 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.878 4.512 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.655 3.637 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.320 3.732 -0.001 1.00 0.00 H new ATOM 152 N THR A 9 5.381 -0.962 -0.171 1.00 0.00 N ATOM 153 CA THR A 9 5.923 -2.201 0.349 1.00 0.00 C ATOM 154 C THR A 9 7.434 -2.086 0.500 1.00 0.00 C ATOM 155 O THR A 9 8.111 -1.588 -0.400 1.00 0.00 O ATOM 156 CB THR A 9 5.577 -3.389 -0.577 1.00 0.00 C ATOM 157 OG1 THR A 9 5.910 -3.070 -1.938 1.00 0.00 O ATOM 158 CG2 THR A 9 4.100 -3.743 -0.483 1.00 0.00 C ATOM 0 H THR A 9 5.580 -0.802 -1.159 1.00 0.00 H new ATOM 0 HA THR A 9 5.475 -2.385 1.325 1.00 0.00 H new ATOM 0 HB THR A 9 6.162 -4.250 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.741 -2.119 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.884 -4.582 -1.145 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.856 -4.018 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.500 -2.883 -0.780 1.00 0.00 H new ATOM 166 N ALA A 10 7.959 -2.533 1.634 1.00 0.00 N ATOM 167 CA ALA A 10 9.389 -2.437 1.891 1.00 0.00 C ATOM 168 C ALA A 10 9.851 -3.533 2.840 1.00 0.00 C ATOM 169 O ALA A 10 9.065 -4.054 3.627 1.00 0.00 O ATOM 170 CB ALA A 10 9.731 -1.069 2.465 1.00 0.00 C ATOM 0 H ALA A 10 7.420 -2.963 2.385 1.00 0.00 H new ATOM 0 HA ALA A 10 9.911 -2.566 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.803 -1.011 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.444 -0.294 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.191 -0.921 3.400 1.00 0.00 H new ATOM 176 N CYS A 11 11.123 -3.886 2.749 1.00 0.00 N ATOM 177 CA CYS A 11 11.724 -4.843 3.660 1.00 0.00 C ATOM 178 C CYS A 11 13.237 -4.748 3.580 1.00 0.00 C ATOM 179 O CYS A 11 13.793 -4.519 2.509 1.00 0.00 O ATOM 180 CB CYS A 11 11.269 -6.268 3.337 1.00 0.00 C ATOM 181 SG CYS A 11 11.801 -7.500 4.552 1.00 0.00 S ATOM 0 H CYS A 11 11.764 -3.519 2.045 1.00 0.00 H new ATOM 0 HA CYS A 11 11.400 -4.605 4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.181 -6.285 3.269 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.654 -6.549 2.357 1.00 0.00 H new ATOM 0 HG CYS A 11 11.369 -8.674 4.198 1.00 0.00 H new ATOM 187 N ALA A 12 13.902 -4.903 4.714 1.00 0.00 N ATOM 188 CA ALA A 12 15.349 -4.817 4.756 1.00 0.00 C ATOM 189 C ALA A 12 15.988 -6.176 4.486 1.00 0.00 C ATOM 190 O ALA A 12 17.054 -6.260 3.877 1.00 0.00 O ATOM 191 CB ALA A 12 15.804 -4.273 6.101 1.00 0.00 C ATOM 0 H ALA A 12 13.462 -5.089 5.615 1.00 0.00 H new ATOM 0 HA ALA A 12 15.672 -4.133 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.892 -4.213 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.383 -3.279 6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.463 -4.936 6.896 1.00 0.00 H new ATOM 197 N THR A 13 15.331 -7.239 4.933 1.00 0.00 N ATOM 198 CA THR A 13 15.874 -8.581 4.787 1.00 0.00 C ATOM 199 C THR A 13 15.155 -9.373 3.691 1.00 0.00 C ATOM 200 O THR A 13 15.702 -9.587 2.606 1.00 0.00 O ATOM 201 CB THR A 13 15.803 -9.353 6.124 1.00 0.00 C ATOM 202 OG1 THR A 13 14.521 -9.149 6.747 1.00 0.00 O ATOM 203 CG2 THR A 13 16.908 -8.903 7.068 1.00 0.00 C ATOM 0 H THR A 13 14.424 -7.197 5.398 1.00 0.00 H new ATOM 0 HA THR A 13 16.918 -8.470 4.494 1.00 0.00 H new ATOM 0 HB THR A 13 15.937 -10.414 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.486 -9.644 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.838 -9.460 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 13 17.878 -9.088 6.607 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.801 -7.838 7.272 1.00 0.00 H new ATOM 211 N GLY A 14 13.922 -9.782 3.969 1.00 0.00 N ATOM 212 CA GLY A 14 13.183 -10.626 3.048 1.00 0.00 C ATOM 213 C GLY A 14 12.451 -9.836 1.983 1.00 0.00 C ATOM 214 O GLY A 14 11.217 -9.796 1.963 1.00 0.00 O ATOM 0 H GLY A 14 13.418 -9.542 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.872 -11.322 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.464 -11.224 3.608 1.00 0.00 H new ATOM 218 N VAL A 15 13.213 -9.229 1.083 1.00 0.00 N ATOM 219 CA VAL A 15 12.657 -8.417 0.012 1.00 0.00 C ATOM 220 C VAL A 15 11.810 -9.251 -0.948 1.00 0.00 C ATOM 221 O VAL A 15 10.979 -8.716 -1.682 1.00 0.00 O ATOM 222 CB VAL A 15 13.769 -7.693 -0.775 1.00 0.00 C ATOM 223 CG1 VAL A 15 14.420 -6.625 0.089 1.00 0.00 C ATOM 224 CG2 VAL A 15 14.815 -8.678 -1.278 1.00 0.00 C ATOM 0 H VAL A 15 14.231 -9.286 1.076 1.00 0.00 H new ATOM 0 HA VAL A 15 12.014 -7.673 0.483 1.00 0.00 H new ATOM 0 HB VAL A 15 13.312 -7.214 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.202 -6.123 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.669 -5.896 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.856 -7.089 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 15 15.586 -8.140 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.267 -9.193 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 15 14.342 -9.407 -1.935 1.00 0.00 H new ATOM 234 N ALA A 16 12.019 -10.566 -0.930 1.00 0.00 N ATOM 235 CA ALA A 16 11.207 -11.483 -1.721 1.00 0.00 C ATOM 236 C ALA A 16 9.736 -11.365 -1.337 1.00 0.00 C ATOM 237 O ALA A 16 8.845 -11.515 -2.175 1.00 0.00 O ATOM 238 CB ALA A 16 11.681 -12.915 -1.528 1.00 0.00 C ATOM 0 H ALA A 16 12.745 -11.019 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 16 11.317 -11.215 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.064 -13.586 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.721 -13.000 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.599 -13.187 -0.476 1.00 0.00 H new ATOM 244 N HIS A 17 9.492 -11.074 -0.062 1.00 0.00 N ATOM 245 CA HIS A 17 8.134 -10.919 0.443 1.00 0.00 C ATOM 246 C HIS A 17 7.531 -9.615 -0.053 1.00 0.00 C ATOM 247 O HIS A 17 6.327 -9.527 -0.283 1.00 0.00 O ATOM 248 CB HIS A 17 8.113 -10.966 1.976 1.00 0.00 C ATOM 249 CG HIS A 17 8.265 -12.349 2.531 1.00 0.00 C ATOM 250 ND1 HIS A 17 8.039 -12.668 3.854 1.00 0.00 N ATOM 251 CD2 HIS A 17 8.606 -13.509 1.921 1.00 0.00 C ATOM 252 CE1 HIS A 17 8.228 -13.963 4.030 1.00 0.00 C ATOM 253 NE2 HIS A 17 8.572 -14.495 2.871 1.00 0.00 N ATOM 0 H HIS A 17 10.220 -10.941 0.640 1.00 0.00 H new ATOM 0 HA HIS A 17 7.534 -11.748 0.068 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.915 -10.337 2.362 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.175 -10.541 2.332 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.768 -12.007 4.582 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.858 -13.634 0.878 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.120 -14.496 4.963 1.00 0.00 H new ATOM 262 N THR A 18 8.386 -8.618 -0.241 1.00 0.00 N ATOM 263 CA THR A 18 7.966 -7.310 -0.718 1.00 0.00 C ATOM 264 C THR A 18 7.345 -7.410 -2.107 1.00 0.00 C ATOM 265 O THR A 18 6.250 -6.900 -2.349 1.00 0.00 O ATOM 266 CB THR A 18 9.168 -6.352 -0.760 1.00 0.00 C ATOM 267 OG1 THR A 18 9.857 -6.388 0.496 1.00 0.00 O ATOM 268 CG2 THR A 18 8.731 -4.931 -1.061 1.00 0.00 C ATOM 0 H THR A 18 9.388 -8.695 -0.067 1.00 0.00 H new ATOM 0 HA THR A 18 7.216 -6.923 -0.028 1.00 0.00 H new ATOM 0 HB THR A 18 9.835 -6.679 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.624 -5.778 0.466 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.604 -4.279 -1.084 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.231 -4.901 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.044 -4.590 -0.287 1.00 0.00 H new ATOM 276 N TYR A 19 8.037 -8.096 -3.009 1.00 0.00 N ATOM 277 CA TYR A 19 7.583 -8.216 -4.390 1.00 0.00 C ATOM 278 C TYR A 19 6.342 -9.098 -4.492 1.00 0.00 C ATOM 279 O TYR A 19 5.470 -8.857 -5.329 1.00 0.00 O ATOM 280 CB TYR A 19 8.705 -8.759 -5.278 1.00 0.00 C ATOM 281 CG TYR A 19 9.832 -7.772 -5.482 1.00 0.00 C ATOM 282 CD1 TYR A 19 10.859 -7.660 -4.555 1.00 0.00 C ATOM 283 CD2 TYR A 19 9.864 -6.946 -6.597 1.00 0.00 C ATOM 284 CE1 TYR A 19 11.885 -6.753 -4.732 1.00 0.00 C ATOM 285 CE2 TYR A 19 10.887 -6.037 -6.784 1.00 0.00 C ATOM 286 CZ TYR A 19 11.895 -5.944 -5.848 1.00 0.00 C ATOM 287 OH TYR A 19 12.917 -5.040 -6.026 1.00 0.00 O ATOM 0 H TYR A 19 8.914 -8.577 -2.810 1.00 0.00 H new ATOM 0 HA TYR A 19 7.312 -7.220 -4.741 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.104 -9.670 -4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.291 -9.034 -6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.856 -8.293 -3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.075 -7.015 -7.331 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.675 -6.678 -4.000 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.897 -5.403 -7.658 1.00 0.00 H new ATOM 0 HH TYR A 19 12.777 -4.548 -6.862 1.00 0.00 H new ATOM 297 N MET A 20 6.254 -10.104 -3.628 1.00 0.00 N ATOM 298 CA MET A 20 5.086 -10.977 -3.604 1.00 0.00 C ATOM 299 C MET A 20 3.866 -10.227 -3.085 1.00 0.00 C ATOM 300 O MET A 20 2.774 -10.325 -3.651 1.00 0.00 O ATOM 301 CB MET A 20 5.335 -12.208 -2.735 1.00 0.00 C ATOM 302 CG MET A 20 4.134 -13.137 -2.663 1.00 0.00 C ATOM 303 SD MET A 20 3.745 -13.900 -4.251 1.00 0.00 S ATOM 304 CE MET A 20 2.301 -14.864 -3.811 1.00 0.00 C ATOM 0 H MET A 20 6.971 -10.334 -2.940 1.00 0.00 H new ATOM 0 HA MET A 20 4.899 -11.303 -4.627 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.189 -12.758 -3.130 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.600 -11.887 -1.728 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.328 -13.918 -1.928 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.267 -12.577 -2.312 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.938 -15.398 -4.689 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.565 -15.581 -3.034 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.519 -14.200 -3.441 1.00 0.00 H new ATOM 314 N ALA A 21 4.061 -9.477 -2.006 1.00 0.00 N ATOM 315 CA ALA A 21 2.983 -8.698 -1.413 1.00 0.00 C ATOM 316 C ALA A 21 2.440 -7.690 -2.412 1.00 0.00 C ATOM 317 O ALA A 21 1.235 -7.456 -2.476 1.00 0.00 O ATOM 318 CB ALA A 21 3.467 -7.991 -0.159 1.00 0.00 C ATOM 0 H ALA A 21 4.956 -9.393 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 21 2.178 -9.380 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.649 -7.413 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.810 -8.729 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.289 -7.322 -0.413 1.00 0.00 H new ATOM 324 N ALA A 22 3.340 -7.110 -3.199 1.00 0.00 N ATOM 325 CA ALA A 22 2.963 -6.157 -4.231 1.00 0.00 C ATOM 326 C ALA A 22 1.986 -6.780 -5.223 1.00 0.00 C ATOM 327 O ALA A 22 0.958 -6.190 -5.552 1.00 0.00 O ATOM 328 CB ALA A 22 4.205 -5.662 -4.955 1.00 0.00 C ATOM 0 H ALA A 22 4.343 -7.287 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 22 2.465 -5.313 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.916 -4.949 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.872 -5.176 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.719 -6.506 -5.415 1.00 0.00 H new ATOM 334 N GLN A 23 2.311 -7.982 -5.683 1.00 0.00 N ATOM 335 CA GLN A 23 1.472 -8.689 -6.643 1.00 0.00 C ATOM 336 C GLN A 23 0.140 -9.098 -6.028 1.00 0.00 C ATOM 337 O GLN A 23 -0.902 -9.000 -6.672 1.00 0.00 O ATOM 338 CB GLN A 23 2.195 -9.925 -7.183 1.00 0.00 C ATOM 339 CG GLN A 23 3.339 -9.593 -8.127 1.00 0.00 C ATOM 340 CD GLN A 23 2.868 -8.875 -9.376 1.00 0.00 C ATOM 341 OE1 GLN A 23 1.745 -9.071 -9.839 1.00 0.00 O ATOM 342 NE2 GLN A 23 3.725 -8.040 -9.937 1.00 0.00 N ATOM 0 H GLN A 23 3.152 -8.489 -5.406 1.00 0.00 H new ATOM 0 HA GLN A 23 1.271 -8.003 -7.466 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.582 -10.505 -6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.477 -10.558 -7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.067 -8.971 -7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.851 -10.513 -8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.648 -7.903 -9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.464 -7.533 -10.782 1.00 0.00 H new ATOM 351 N ALA A 24 0.174 -9.548 -4.782 1.00 0.00 N ATOM 352 CA ALA A 24 -1.036 -10.006 -4.109 1.00 0.00 C ATOM 353 C ALA A 24 -1.976 -8.844 -3.802 1.00 0.00 C ATOM 354 O ALA A 24 -3.182 -8.928 -4.052 1.00 0.00 O ATOM 355 CB ALA A 24 -0.679 -10.762 -2.840 1.00 0.00 C ATOM 0 H ALA A 24 1.022 -9.606 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.561 -10.683 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.592 -11.098 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.063 -11.626 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.125 -10.105 -2.169 1.00 0.00 H new ATOM 361 N LEU A 25 -1.421 -7.764 -3.263 1.00 0.00 N ATOM 362 CA LEU A 25 -2.203 -6.561 -2.976 1.00 0.00 C ATOM 363 C LEU A 25 -2.812 -5.995 -4.248 1.00 0.00 C ATOM 364 O LEU A 25 -3.996 -5.651 -4.288 1.00 0.00 O ATOM 365 CB LEU A 25 -1.329 -5.493 -2.312 1.00 0.00 C ATOM 366 CG LEU A 25 -0.926 -5.780 -0.868 1.00 0.00 C ATOM 367 CD1 LEU A 25 0.050 -4.722 -0.374 1.00 0.00 C ATOM 368 CD2 LEU A 25 -2.156 -5.832 0.028 1.00 0.00 C ATOM 0 H LEU A 25 -0.434 -7.694 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.005 -6.843 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.424 -5.368 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.862 -4.543 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.433 -6.752 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.330 -4.938 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.942 -4.729 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.421 -3.740 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.850 -6.038 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.675 -4.874 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.824 -6.621 -0.317 1.00 0.00 H new ATOM 380 N LYS A 26 -1.993 -5.907 -5.286 1.00 0.00 N ATOM 381 CA LYS A 26 -2.438 -5.387 -6.566 1.00 0.00 C ATOM 382 C LYS A 26 -3.545 -6.259 -7.140 1.00 0.00 C ATOM 383 O LYS A 26 -4.558 -5.754 -7.621 1.00 0.00 O ATOM 384 CB LYS A 26 -1.259 -5.325 -7.538 1.00 0.00 C ATOM 385 CG LYS A 26 -1.569 -4.616 -8.844 1.00 0.00 C ATOM 386 CD LYS A 26 -0.364 -4.626 -9.769 1.00 0.00 C ATOM 387 CE LYS A 26 -0.618 -3.813 -11.024 1.00 0.00 C ATOM 388 NZ LYS A 26 0.543 -3.856 -11.950 1.00 0.00 N ATOM 0 H LYS A 26 -1.014 -6.191 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.833 -4.382 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.426 -4.818 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.929 -6.340 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.412 -5.102 -9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.868 -3.588 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.502 -4.224 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.123 -5.653 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.503 -4.195 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.828 -2.779 -10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.333 -3.289 -12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.382 -3.468 -11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.728 -4.841 -12.230 1.00 0.00 H new ATOM 402 N LYS A 27 -3.347 -7.567 -7.060 1.00 0.00 N ATOM 403 CA LYS A 27 -4.281 -8.535 -7.611 1.00 0.00 C ATOM 404 C LYS A 27 -5.646 -8.421 -6.945 1.00 0.00 C ATOM 405 O LYS A 27 -6.676 -8.369 -7.621 1.00 0.00 O ATOM 406 CB LYS A 27 -3.716 -9.939 -7.414 1.00 0.00 C ATOM 407 CG LYS A 27 -4.383 -11.004 -8.262 1.00 0.00 C ATOM 408 CD LYS A 27 -3.567 -12.287 -8.280 1.00 0.00 C ATOM 409 CE LYS A 27 -2.396 -12.219 -9.260 1.00 0.00 C ATOM 410 NZ LYS A 27 -1.378 -11.196 -8.885 1.00 0.00 N ATOM 0 H LYS A 27 -2.533 -7.986 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.412 -8.334 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.650 -9.924 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.814 -10.213 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.380 -11.210 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.508 -10.636 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.188 -12.487 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.214 -13.122 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.917 -13.197 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.777 -11.996 -10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.460 -11.450 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.675 -10.265 -9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.288 -11.159 -7.850 1.00 0.00 H new ATOM 424 N GLY A 28 -5.638 -8.369 -5.617 1.00 0.00 N ATOM 425 CA GLY A 28 -6.871 -8.269 -4.860 1.00 0.00 C ATOM 426 C GLY A 28 -7.647 -7.013 -5.189 1.00 0.00 C ATOM 427 O GLY A 28 -8.841 -7.070 -5.489 1.00 0.00 O ATOM 0 H GLY A 28 -4.792 -8.395 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.492 -9.141 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.643 -8.283 -3.794 1.00 0.00 H new ATOM 431 N ALA A 29 -6.964 -5.876 -5.149 1.00 0.00 N ATOM 432 CA ALA A 29 -7.588 -4.598 -5.460 1.00 0.00 C ATOM 433 C ALA A 29 -8.123 -4.579 -6.889 1.00 0.00 C ATOM 434 O ALA A 29 -9.249 -4.145 -7.129 1.00 0.00 O ATOM 435 CB ALA A 29 -6.606 -3.459 -5.244 1.00 0.00 C ATOM 0 H ALA A 29 -5.976 -5.814 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.432 -4.463 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.090 -2.512 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.282 -3.450 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.741 -3.597 -5.892 1.00 0.00 H new ATOM 441 N LYS A 30 -7.320 -5.072 -7.829 1.00 0.00 N ATOM 442 CA LYS A 30 -7.722 -5.137 -9.234 1.00 0.00 C ATOM 443 C LYS A 30 -8.933 -6.042 -9.415 1.00 0.00 C ATOM 444 O LYS A 30 -9.799 -5.776 -10.245 1.00 0.00 O ATOM 445 CB LYS A 30 -6.567 -5.641 -10.103 1.00 0.00 C ATOM 446 CG LYS A 30 -5.509 -4.587 -10.383 1.00 0.00 C ATOM 447 CD LYS A 30 -6.040 -3.513 -11.316 1.00 0.00 C ATOM 448 CE LYS A 30 -4.996 -2.448 -11.605 1.00 0.00 C ATOM 449 NZ LYS A 30 -5.473 -1.476 -12.623 1.00 0.00 N ATOM 0 H LYS A 30 -6.384 -5.433 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.990 -4.128 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.098 -6.492 -9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.967 -6.002 -11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.187 -4.132 -9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.631 -5.057 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.360 -3.971 -12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.920 -3.048 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.750 -1.920 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.079 -2.922 -11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.822 -0.666 -12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.506 -1.937 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.425 -1.144 -12.367 1.00 0.00 H new ATOM 463 N LYS A 31 -8.987 -7.105 -8.627 1.00 0.00 N ATOM 464 CA LYS A 31 -10.095 -8.046 -8.675 1.00 0.00 C ATOM 465 C LYS A 31 -11.377 -7.392 -8.166 1.00 0.00 C ATOM 466 O LYS A 31 -12.461 -7.632 -8.694 1.00 0.00 O ATOM 467 CB LYS A 31 -9.762 -9.273 -7.828 1.00 0.00 C ATOM 468 CG LYS A 31 -10.837 -10.344 -7.829 1.00 0.00 C ATOM 469 CD LYS A 31 -10.498 -11.458 -6.852 1.00 0.00 C ATOM 470 CE LYS A 31 -10.419 -10.931 -5.431 1.00 0.00 C ATOM 471 NZ LYS A 31 -10.019 -11.987 -4.469 1.00 0.00 N ATOM 0 H LYS A 31 -8.269 -7.339 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.252 -8.352 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.831 -9.709 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.585 -8.954 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.797 -9.901 -7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.944 -10.756 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.254 -12.241 -6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.546 -11.912 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.703 -10.111 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.388 -10.524 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.140 -11.636 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.614 -12.828 -4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.022 -12.239 -4.624 1.00 0.00 H new ATOM 485 N MET A 32 -11.235 -6.549 -7.151 1.00 0.00 N ATOM 486 CA MET A 32 -12.380 -5.883 -6.535 1.00 0.00 C ATOM 487 C MET A 32 -12.762 -4.613 -7.296 1.00 0.00 C ATOM 488 O MET A 32 -13.660 -3.883 -6.886 1.00 0.00 O ATOM 489 CB MET A 32 -12.075 -5.551 -5.070 1.00 0.00 C ATOM 490 CG MET A 32 -11.911 -6.774 -4.181 1.00 0.00 C ATOM 491 SD MET A 32 -13.423 -7.750 -4.054 1.00 0.00 S ATOM 492 CE MET A 32 -12.905 -9.022 -2.905 1.00 0.00 C ATOM 0 H MET A 32 -10.336 -6.308 -6.734 1.00 0.00 H new ATOM 0 HA MET A 32 -13.228 -6.567 -6.577 1.00 0.00 H new ATOM 0 HB2 MET A 32 -11.162 -4.957 -5.025 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.879 -4.931 -4.673 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.111 -7.400 -4.576 1.00 0.00 H new ATOM 0 HG3 MET A 32 -11.604 -6.455 -3.185 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.963 -9.996 -3.390 1.00 0.00 H new ATOM 0 HE2 MET A 32 -11.878 -8.833 -2.592 1.00 0.00 H new ATOM 0 HE3 MET A 32 -13.558 -9.012 -2.032 1.00 0.00 H new ATOM 502 N GLY A 33 -12.069 -4.351 -8.400 1.00 0.00 N ATOM 503 CA GLY A 33 -12.415 -3.222 -9.246 1.00 0.00 C ATOM 504 C GLY A 33 -11.777 -1.921 -8.793 1.00 0.00 C ATOM 505 O GLY A 33 -12.152 -0.839 -9.256 1.00 0.00 O ATOM 0 H GLY A 33 -11.273 -4.901 -8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.106 -3.434 -10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.498 -3.103 -9.258 1.00 0.00 H new ATOM 509 N ASN A 34 -10.796 -2.025 -7.908 1.00 0.00 N ATOM 510 CA ASN A 34 -10.128 -0.852 -7.362 1.00 0.00 C ATOM 511 C ASN A 34 -8.828 -0.584 -8.105 1.00 0.00 C ATOM 512 O ASN A 34 -8.375 -1.403 -8.911 1.00 0.00 O ATOM 513 CB ASN A 34 -9.844 -1.034 -5.867 1.00 0.00 C ATOM 514 CG ASN A 34 -11.108 -1.144 -5.038 1.00 0.00 C ATOM 515 OD1 ASN A 34 -11.677 -0.140 -4.617 1.00 0.00 O ATOM 516 ND2 ASN A 34 -11.545 -2.364 -4.784 1.00 0.00 N ATOM 0 H ASN A 34 -10.444 -2.913 -7.551 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.792 0.003 -7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.241 -1.931 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.252 -0.191 -5.509 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.384 -2.498 -4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.044 -3.172 -5.152 1.00 0.00 H new ATOM 523 N LEU A 35 -8.231 0.563 -7.833 1.00 0.00 N ATOM 524 CA LEU A 35 -6.995 0.957 -8.485 1.00 0.00 C ATOM 525 C LEU A 35 -5.914 1.216 -7.446 1.00 0.00 C ATOM 526 O LEU A 35 -5.872 2.279 -6.825 1.00 0.00 O ATOM 527 CB LEU A 35 -7.220 2.205 -9.335 1.00 0.00 C ATOM 528 CG LEU A 35 -8.236 2.052 -10.466 1.00 0.00 C ATOM 529 CD1 LEU A 35 -8.505 3.395 -11.120 1.00 0.00 C ATOM 530 CD2 LEU A 35 -7.737 1.051 -11.498 1.00 0.00 C ATOM 0 H LEU A 35 -8.586 1.242 -7.160 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.669 0.146 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.547 3.015 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.265 2.508 -9.765 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.169 1.678 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.231 3.270 -11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.901 4.088 -10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.576 3.793 -11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.473 0.954 -12.296 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.792 1.399 -11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.588 0.082 -11.022 1.00 0.00 H new ATOM 542 N ILE A 36 -5.048 0.239 -7.250 1.00 0.00 N ATOM 543 CA ILE A 36 -4.003 0.348 -6.259 1.00 0.00 C ATOM 544 C ILE A 36 -2.665 0.599 -6.940 1.00 0.00 C ATOM 545 O ILE A 36 -2.381 0.045 -8.004 1.00 0.00 O ATOM 546 CB ILE A 36 -3.923 -0.924 -5.384 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.947 -0.717 -4.222 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.518 -2.129 -6.221 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.870 -1.897 -3.278 1.00 0.00 C ATOM 0 H ILE A 36 -5.051 -0.640 -7.768 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.241 1.189 -5.608 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.912 -1.117 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.953 -0.519 -4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.246 0.168 -3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.468 -3.013 -5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.255 -2.289 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.541 -1.949 -6.670 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.160 -1.679 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.854 -2.083 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.541 -2.780 -3.826 1.00 0.00 H new ATOM 561 N LYS A 37 -1.865 1.459 -6.347 1.00 0.00 N ATOM 562 CA LYS A 37 -0.532 1.710 -6.843 1.00 0.00 C ATOM 563 C LYS A 37 0.465 1.262 -5.794 1.00 0.00 C ATOM 564 O LYS A 37 0.623 1.905 -4.755 1.00 0.00 O ATOM 565 CB LYS A 37 -0.343 3.192 -7.173 1.00 0.00 C ATOM 566 CG LYS A 37 0.123 3.447 -8.602 1.00 0.00 C ATOM 567 CD LYS A 37 1.472 2.800 -8.884 1.00 0.00 C ATOM 568 CE LYS A 37 1.925 3.072 -10.310 1.00 0.00 C ATOM 569 NZ LYS A 37 3.263 2.491 -10.599 1.00 0.00 N ATOM 0 H LYS A 37 -2.117 1.997 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.373 1.149 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.285 3.715 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.383 3.619 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.619 3.059 -9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.192 4.521 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.215 3.183 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.404 1.725 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.194 2.659 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.954 4.148 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.528 2.702 -11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.967 2.903 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.231 1.460 -10.463 1.00 0.00 H new ATOM 583 N VAL A 38 1.105 0.135 -6.054 1.00 0.00 N ATOM 584 CA VAL A 38 2.021 -0.448 -5.091 1.00 0.00 C ATOM 585 C VAL A 38 3.447 0.028 -5.333 1.00 0.00 C ATOM 586 O VAL A 38 4.021 -0.184 -6.405 1.00 0.00 O ATOM 587 CB VAL A 38 1.986 -1.990 -5.132 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.846 -2.569 -4.019 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.555 -2.501 -5.028 1.00 0.00 C ATOM 0 H VAL A 38 1.007 -0.393 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 38 1.693 -0.117 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 38 2.393 -2.318 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.811 -3.658 -4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.876 -2.234 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.468 -2.231 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.555 -3.591 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.116 -2.165 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.031 -2.114 -5.862 1.00 0.00 H new ATOM 599 N GLU A 39 4.002 0.671 -4.320 1.00 0.00 N ATOM 600 CA GLU A 39 5.359 1.172 -4.363 1.00 0.00 C ATOM 601 C GLU A 39 6.290 0.149 -3.731 1.00 0.00 C ATOM 602 O GLU A 39 5.950 -0.470 -2.726 1.00 0.00 O ATOM 603 CB GLU A 39 5.439 2.510 -3.623 1.00 0.00 C ATOM 604 CG GLU A 39 6.809 3.164 -3.656 1.00 0.00 C ATOM 605 CD GLU A 39 6.788 4.566 -3.082 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.420 5.506 -3.822 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.133 4.730 -1.894 1.00 0.00 O ATOM 0 H GLU A 39 3.519 0.860 -3.442 1.00 0.00 H new ATOM 0 HA GLU A 39 5.663 1.333 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.712 3.196 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.149 2.355 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.515 2.553 -3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.168 3.200 -4.685 1.00 0.00 H new ATOM 614 N THR A 40 7.447 -0.049 -4.328 1.00 0.00 N ATOM 615 CA THR A 40 8.374 -1.057 -3.851 1.00 0.00 C ATOM 616 C THR A 40 9.684 -0.422 -3.393 1.00 0.00 C ATOM 617 O THR A 40 10.429 0.142 -4.197 1.00 0.00 O ATOM 618 CB THR A 40 8.646 -2.106 -4.944 1.00 0.00 C ATOM 619 OG1 THR A 40 7.399 -2.598 -5.458 1.00 0.00 O ATOM 620 CG2 THR A 40 9.464 -3.266 -4.395 1.00 0.00 C ATOM 0 H THR A 40 7.769 0.473 -5.143 1.00 0.00 H new ATOM 0 HA THR A 40 7.916 -1.554 -2.996 1.00 0.00 H new ATOM 0 HB THR A 40 9.215 -1.631 -5.743 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.573 -3.265 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.642 -3.993 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.418 -2.894 -4.023 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.918 -3.743 -3.581 1.00 0.00 H new ATOM 628 N GLN A 41 9.938 -0.493 -2.096 1.00 0.00 N ATOM 629 CA GLN A 41 11.169 0.015 -1.523 1.00 0.00 C ATOM 630 C GLN A 41 11.972 -1.143 -0.942 1.00 0.00 C ATOM 631 O GLN A 41 11.416 -2.014 -0.276 1.00 0.00 O ATOM 632 CB GLN A 41 10.853 1.042 -0.431 1.00 0.00 C ATOM 633 CG GLN A 41 12.079 1.707 0.176 1.00 0.00 C ATOM 634 CD GLN A 41 11.747 2.469 1.441 1.00 0.00 C ATOM 635 OE1 GLN A 41 10.830 2.107 2.169 1.00 0.00 O ATOM 636 NE2 GLN A 41 12.483 3.533 1.707 1.00 0.00 N ATOM 0 H GLN A 41 9.298 -0.903 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 41 11.757 0.504 -2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.206 1.813 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.291 0.550 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.830 0.949 0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.519 2.389 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.238 3.802 1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.297 4.086 2.544 1.00 0.00 H new ATOM 645 N GLY A 42 13.262 -1.171 -1.213 1.00 0.00 N ATOM 646 CA GLY A 42 14.100 -2.213 -0.658 1.00 0.00 C ATOM 647 C GLY A 42 15.004 -1.676 0.427 1.00 0.00 C ATOM 648 O GLY A 42 14.665 -1.704 1.608 1.00 0.00 O ATOM 0 H GLY A 42 13.746 -0.495 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.474 -3.007 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.704 -2.657 -1.450 1.00 0.00 H new ATOM 652 N ALA A 43 16.149 -1.163 0.018 1.00 0.00 N ATOM 653 CA ALA A 43 17.098 -0.576 0.944 1.00 0.00 C ATOM 654 C ALA A 43 17.691 0.679 0.331 1.00 0.00 C ATOM 655 O ALA A 43 18.483 0.597 -0.611 1.00 0.00 O ATOM 656 CB ALA A 43 18.191 -1.572 1.305 1.00 0.00 C ATOM 0 H ALA A 43 16.446 -1.141 -0.958 1.00 0.00 H new ATOM 0 HA ALA A 43 16.579 -0.311 1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.890 -1.108 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 43 17.744 -2.450 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 43 18.723 -1.872 0.402 1.00 0.00 H new ATOM 662 N THR A 44 17.273 1.835 0.851 1.00 0.00 N ATOM 663 CA THR A 44 17.660 3.150 0.318 1.00 0.00 C ATOM 664 C THR A 44 17.380 3.257 -1.186 1.00 0.00 C ATOM 665 O THR A 44 17.994 4.059 -1.891 1.00 0.00 O ATOM 666 CB THR A 44 19.143 3.507 0.618 1.00 0.00 C ATOM 667 OG1 THR A 44 20.025 2.418 0.309 1.00 0.00 O ATOM 668 CG2 THR A 44 19.314 3.893 2.076 1.00 0.00 C ATOM 0 H THR A 44 16.653 1.889 1.659 1.00 0.00 H new ATOM 0 HA THR A 44 17.038 3.878 0.839 1.00 0.00 H new ATOM 0 HB THR A 44 19.404 4.353 -0.018 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.621 1.857 -0.386 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.358 4.139 2.267 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.690 4.759 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.016 3.058 2.711 1.00 0.00 H new ATOM 676 N GLY A 45 16.421 2.472 -1.661 1.00 0.00 N ATOM 677 CA GLY A 45 16.078 2.471 -3.067 1.00 0.00 C ATOM 678 C GLY A 45 14.601 2.236 -3.280 1.00 0.00 C ATOM 679 O GLY A 45 14.032 1.293 -2.726 1.00 0.00 O ATOM 0 H GLY A 45 15.871 1.831 -1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.363 3.424 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.648 1.696 -3.580 1.00 0.00 H new ATOM 683 N ILE A 46 13.976 3.102 -4.066 1.00 0.00 N ATOM 684 CA ILE A 46 12.547 3.009 -4.328 1.00 0.00 C ATOM 685 C ILE A 46 12.297 2.779 -5.816 1.00 0.00 C ATOM 686 O ILE A 46 12.733 3.567 -6.655 1.00 0.00 O ATOM 687 CB ILE A 46 11.807 4.289 -3.872 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.032 4.524 -2.375 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.318 4.189 -4.180 1.00 0.00 C ATOM 690 CD1 ILE A 46 11.424 5.809 -1.858 1.00 0.00 C ATOM 0 H ILE A 46 14.439 3.880 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 46 12.160 2.165 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 46 12.211 5.138 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.613 3.686 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.104 4.535 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.817 5.099 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.176 4.064 -5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.895 3.332 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.626 5.904 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.861 6.656 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.347 5.794 -2.023 1.00 0.00 H new ATOM 702 N GLU A 47 11.604 1.696 -6.137 1.00 0.00 N ATOM 703 CA GLU A 47 11.389 1.316 -7.526 1.00 0.00 C ATOM 704 C GLU A 47 10.135 1.974 -8.097 1.00 0.00 C ATOM 705 O GLU A 47 10.225 2.867 -8.937 1.00 0.00 O ATOM 706 CB GLU A 47 11.304 -0.207 -7.646 1.00 0.00 C ATOM 707 CG GLU A 47 12.555 -0.919 -7.152 1.00 0.00 C ATOM 708 CD GLU A 47 13.785 -0.602 -7.982 1.00 0.00 C ATOM 709 OE1 GLU A 47 14.347 0.503 -7.836 1.00 0.00 O ATOM 710 OE2 GLU A 47 14.196 -1.453 -8.791 1.00 0.00 O ATOM 0 H GLU A 47 11.181 1.066 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 47 12.238 1.670 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.444 -0.562 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.130 -0.474 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.741 -0.638 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.383 -1.995 -7.164 1.00 0.00 H new ATOM 717 N ASN A 48 8.965 1.550 -7.627 1.00 0.00 N ATOM 718 CA ASN A 48 7.701 2.083 -8.140 1.00 0.00 C ATOM 719 C ASN A 48 7.330 3.375 -7.427 1.00 0.00 C ATOM 720 O ASN A 48 6.334 3.430 -6.712 1.00 0.00 O ATOM 721 CB ASN A 48 6.557 1.075 -7.979 1.00 0.00 C ATOM 722 CG ASN A 48 6.800 -0.231 -8.708 1.00 0.00 C ATOM 723 OD1 ASN A 48 7.528 -0.284 -9.699 1.00 0.00 O ATOM 724 ND2 ASN A 48 6.170 -1.292 -8.232 1.00 0.00 N ATOM 0 H ASN A 48 8.863 0.844 -6.897 1.00 0.00 H new ATOM 0 HA ASN A 48 7.847 2.281 -9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.410 0.869 -6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.634 1.522 -8.348 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.279 -2.197 -8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.576 -1.205 -7.408 1.00 0.00 H new ATOM 731 N GLU A 49 8.150 4.398 -7.623 1.00 0.00 N ATOM 732 CA GLU A 49 7.953 5.700 -6.989 1.00 0.00 C ATOM 733 C GLU A 49 6.576 6.280 -7.327 1.00 0.00 C ATOM 734 O GLU A 49 6.282 6.586 -8.488 1.00 0.00 O ATOM 735 CB GLU A 49 9.071 6.644 -7.441 1.00 0.00 C ATOM 736 CG GLU A 49 9.037 8.025 -6.809 1.00 0.00 C ATOM 737 CD GLU A 49 10.230 8.864 -7.222 1.00 0.00 C ATOM 738 OE1 GLU A 49 10.360 9.170 -8.427 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.059 9.207 -6.350 1.00 0.00 O ATOM 0 H GLU A 49 8.972 4.352 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 49 7.992 5.581 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.031 6.181 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.017 6.755 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.117 8.534 -7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.020 7.927 -5.724 1.00 0.00 H new ATOM 746 N LEU A 50 5.732 6.409 -6.309 1.00 0.00 N ATOM 747 CA LEU A 50 4.376 6.922 -6.481 1.00 0.00 C ATOM 748 C LEU A 50 4.385 8.421 -6.763 1.00 0.00 C ATOM 749 O LEU A 50 5.175 9.168 -6.182 1.00 0.00 O ATOM 750 CB LEU A 50 3.538 6.636 -5.234 1.00 0.00 C ATOM 751 CG LEU A 50 3.446 5.162 -4.839 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.618 4.997 -3.576 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.858 4.341 -5.974 1.00 0.00 C ATOM 0 H LEU A 50 5.966 6.163 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 50 3.933 6.413 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.957 7.195 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.530 7.016 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 50 4.453 4.798 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.564 3.941 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.083 5.552 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.612 5.379 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.800 3.295 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.858 4.707 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.493 4.431 -6.855 1.00 0.00 H new ATOM 765 N THR A 51 3.506 8.858 -7.656 1.00 0.00 N ATOM 766 CA THR A 51 3.419 10.264 -8.011 1.00 0.00 C ATOM 767 C THR A 51 2.649 11.038 -6.947 1.00 0.00 C ATOM 768 O THR A 51 1.900 10.450 -6.164 1.00 0.00 O ATOM 769 CB THR A 51 2.721 10.464 -9.372 1.00 0.00 C ATOM 770 OG1 THR A 51 1.340 10.080 -9.281 1.00 0.00 O ATOM 771 CG2 THR A 51 3.409 9.657 -10.462 1.00 0.00 C ATOM 0 H THR A 51 2.844 8.257 -8.146 1.00 0.00 H new ATOM 0 HA THR A 51 4.440 10.640 -8.079 1.00 0.00 H new ATOM 0 HB THR A 51 2.785 11.520 -9.633 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.266 9.106 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.897 9.816 -11.411 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.447 9.977 -10.552 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.377 8.598 -10.206 1.00 0.00 H new ATOM 779 N GLU A 52 2.829 12.353 -6.932 1.00 0.00 N ATOM 780 CA GLU A 52 2.108 13.216 -6.005 1.00 0.00 C ATOM 781 C GLU A 52 0.606 13.096 -6.242 1.00 0.00 C ATOM 782 O GLU A 52 -0.193 13.083 -5.301 1.00 0.00 O ATOM 783 CB GLU A 52 2.543 14.669 -6.196 1.00 0.00 C ATOM 784 CG GLU A 52 1.840 15.649 -5.272 1.00 0.00 C ATOM 785 CD GLU A 52 2.027 17.081 -5.708 1.00 0.00 C ATOM 786 OE1 GLU A 52 3.053 17.690 -5.349 1.00 0.00 O ATOM 787 OE2 GLU A 52 1.153 17.606 -6.428 1.00 0.00 O ATOM 0 H GLU A 52 3.470 12.846 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 52 2.337 12.905 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.619 14.740 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.356 14.961 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.775 15.417 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.222 15.527 -4.258 1.00 0.00 H new ATOM 794 N LYS A 53 0.240 12.993 -7.512 1.00 0.00 N ATOM 795 CA LYS A 53 -1.155 12.879 -7.908 1.00 0.00 C ATOM 796 C LYS A 53 -1.776 11.605 -7.350 1.00 0.00 C ATOM 797 O LYS A 53 -2.845 11.646 -6.743 1.00 0.00 O ATOM 798 CB LYS A 53 -1.272 12.900 -9.433 1.00 0.00 C ATOM 799 CG LYS A 53 -0.708 14.165 -10.063 1.00 0.00 C ATOM 800 CD LYS A 53 -0.709 14.089 -11.579 1.00 0.00 C ATOM 801 CE LYS A 53 0.123 12.917 -12.078 1.00 0.00 C ATOM 802 NZ LYS A 53 0.255 12.920 -13.556 1.00 0.00 N ATOM 0 H LYS A 53 0.898 12.986 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.698 13.730 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.750 12.035 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.321 12.801 -9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.297 15.024 -9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.310 14.325 -9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.733 13.989 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.315 15.018 -11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.114 12.957 -11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.337 11.983 -11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.829 12.106 -13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.688 12.856 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.717 13.800 -13.861 1.00 0.00 H new ATOM 816 N ASP A 54 -1.095 10.477 -7.536 1.00 0.00 N ATOM 817 CA ASP A 54 -1.597 9.196 -7.043 1.00 0.00 C ATOM 818 C ASP A 54 -1.779 9.230 -5.536 1.00 0.00 C ATOM 819 O ASP A 54 -2.754 8.693 -5.011 1.00 0.00 O ATOM 820 CB ASP A 54 -0.662 8.042 -7.424 1.00 0.00 C ATOM 821 CG ASP A 54 -0.820 7.607 -8.867 1.00 0.00 C ATOM 822 OD1 ASP A 54 -1.918 7.128 -9.228 1.00 0.00 O ATOM 823 OD2 ASP A 54 0.147 7.746 -9.647 1.00 0.00 O ATOM 0 H ASP A 54 -0.200 10.423 -8.021 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.565 9.026 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.371 8.346 -7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.857 7.192 -6.770 1.00 0.00 H new ATOM 828 N VAL A 55 -0.850 9.880 -4.857 1.00 0.00 N ATOM 829 CA VAL A 55 -0.903 10.003 -3.410 1.00 0.00 C ATOM 830 C VAL A 55 -2.119 10.817 -2.965 1.00 0.00 C ATOM 831 O VAL A 55 -2.805 10.449 -2.014 1.00 0.00 O ATOM 832 CB VAL A 55 0.382 10.657 -2.858 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.257 10.907 -1.367 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.594 9.790 -3.156 1.00 0.00 C ATOM 0 H VAL A 55 -0.044 10.334 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.988 8.994 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 55 0.518 11.617 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.173 11.368 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.586 11.572 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.094 9.960 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.490 10.268 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.466 8.813 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.696 9.666 -4.234 1.00 0.00 H new ATOM 844 N ASN A 56 -2.390 11.911 -3.667 1.00 0.00 N ATOM 845 CA ASN A 56 -3.496 12.795 -3.305 1.00 0.00 C ATOM 846 C ASN A 56 -4.844 12.178 -3.653 1.00 0.00 C ATOM 847 O ASN A 56 -5.829 12.388 -2.944 1.00 0.00 O ATOM 848 CB ASN A 56 -3.352 14.163 -3.979 1.00 0.00 C ATOM 849 CG ASN A 56 -2.419 15.092 -3.222 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.848 15.835 -2.342 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.139 15.062 -3.558 1.00 0.00 N ATOM 0 H ASN A 56 -1.862 12.208 -4.488 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.455 12.933 -2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.978 14.026 -4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.334 14.629 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.472 15.669 -3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.819 14.432 -4.294 1.00 0.00 H new ATOM 858 N ILE A 57 -4.894 11.419 -4.740 1.00 0.00 N ATOM 859 CA ILE A 57 -6.133 10.768 -5.148 1.00 0.00 C ATOM 860 C ILE A 57 -6.393 9.530 -4.290 1.00 0.00 C ATOM 861 O ILE A 57 -7.539 9.211 -3.965 1.00 0.00 O ATOM 862 CB ILE A 57 -6.110 10.372 -6.644 1.00 0.00 C ATOM 863 CG1 ILE A 57 -5.782 11.589 -7.518 1.00 0.00 C ATOM 864 CG2 ILE A 57 -7.447 9.776 -7.063 1.00 0.00 C ATOM 865 CD1 ILE A 57 -6.745 12.745 -7.352 1.00 0.00 C ATOM 0 H ILE A 57 -4.098 11.239 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.939 11.487 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.334 9.620 -6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.775 11.932 -7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.777 11.281 -8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.410 9.504 -8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.652 8.887 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.238 10.509 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.444 13.566 -8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.751 12.421 -7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.734 13.082 -6.315 1.00 0.00 H new ATOM 877 N GLY A 58 -5.322 8.834 -3.930 1.00 0.00 N ATOM 878 CA GLY A 58 -5.438 7.692 -3.049 1.00 0.00 C ATOM 879 C GLY A 58 -5.924 8.082 -1.669 1.00 0.00 C ATOM 880 O GLY A 58 -5.411 9.026 -1.067 1.00 0.00 O ATOM 0 H GLY A 58 -4.371 9.043 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.127 6.968 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.469 7.200 -2.966 1.00 0.00 H new ATOM 884 N GLU A 59 -6.916 7.362 -1.168 1.00 0.00 N ATOM 885 CA GLU A 59 -7.508 7.680 0.126 1.00 0.00 C ATOM 886 C GLU A 59 -6.605 7.183 1.248 1.00 0.00 C ATOM 887 O GLU A 59 -6.014 7.970 1.989 1.00 0.00 O ATOM 888 CB GLU A 59 -8.886 7.027 0.260 1.00 0.00 C ATOM 889 CG GLU A 59 -9.674 6.968 -1.036 1.00 0.00 C ATOM 890 CD GLU A 59 -10.314 8.280 -1.434 1.00 0.00 C ATOM 891 OE1 GLU A 59 -10.068 9.308 -0.773 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.095 8.278 -2.411 1.00 0.00 O ATOM 0 H GLU A 59 -7.329 6.555 -1.635 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.618 8.762 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.760 6.014 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.466 7.577 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.010 6.643 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.453 6.211 -0.940 1.00 0.00 H new ATOM 899 N VAL A 60 -6.482 5.866 1.340 1.00 0.00 N ATOM 900 CA VAL A 60 -5.721 5.238 2.404 1.00 0.00 C ATOM 901 C VAL A 60 -4.351 4.793 1.914 1.00 0.00 C ATOM 902 O VAL A 60 -4.170 4.471 0.737 1.00 0.00 O ATOM 903 CB VAL A 60 -6.469 4.024 2.996 1.00 0.00 C ATOM 904 CG1 VAL A 60 -7.738 4.475 3.700 1.00 0.00 C ATOM 905 CG2 VAL A 60 -6.795 3.006 1.912 1.00 0.00 C ATOM 0 H VAL A 60 -6.904 5.210 0.683 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.595 5.988 3.184 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.817 3.545 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.254 3.607 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.482 5.162 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.390 4.980 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.322 2.160 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.426 3.471 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.871 2.657 1.451 1.00 0.00 H new ATOM 915 N VAL A 61 -3.395 4.790 2.826 1.00 0.00 N ATOM 916 CA VAL A 61 -2.037 4.386 2.522 1.00 0.00 C ATOM 917 C VAL A 61 -1.724 3.062 3.197 1.00 0.00 C ATOM 918 O VAL A 61 -1.700 2.975 4.424 1.00 0.00 O ATOM 919 CB VAL A 61 -1.017 5.436 3.007 1.00 0.00 C ATOM 920 CG1 VAL A 61 0.374 5.102 2.493 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.437 6.834 2.586 1.00 0.00 C ATOM 0 H VAL A 61 -3.540 5.068 3.797 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.959 4.288 1.439 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.990 5.413 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.082 5.853 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.673 4.121 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.367 5.092 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.702 7.557 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.500 6.883 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.411 7.067 3.017 1.00 0.00 H new ATOM 931 N ILE A 62 -1.497 2.035 2.404 1.00 0.00 N ATOM 932 CA ILE A 62 -1.161 0.732 2.941 1.00 0.00 C ATOM 933 C ILE A 62 0.351 0.585 3.048 1.00 0.00 C ATOM 934 O ILE A 62 1.054 0.596 2.042 1.00 0.00 O ATOM 935 CB ILE A 62 -1.726 -0.413 2.071 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.255 -0.350 2.031 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.260 -1.762 2.600 1.00 0.00 C ATOM 938 CD1 ILE A 62 -3.891 -1.431 1.180 1.00 0.00 C ATOM 0 H ILE A 62 -1.539 2.077 1.386 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.614 0.661 3.930 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.350 -0.293 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.639 -0.429 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.559 0.625 1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.667 -2.558 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.171 -1.805 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.608 -1.891 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.975 -1.320 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.537 -1.341 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.619 -2.411 1.573 1.00 0.00 H new ATOM 950 N PHE A 63 0.848 0.472 4.265 1.00 0.00 N ATOM 951 CA PHE A 63 2.267 0.263 4.486 1.00 0.00 C ATOM 952 C PHE A 63 2.546 -1.179 4.855 1.00 0.00 C ATOM 953 O PHE A 63 2.407 -1.571 6.013 1.00 0.00 O ATOM 954 CB PHE A 63 2.809 1.184 5.582 1.00 0.00 C ATOM 955 CG PHE A 63 3.124 2.579 5.120 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.546 2.817 3.824 1.00 0.00 C ATOM 957 CD2 PHE A 63 3.009 3.651 5.989 1.00 0.00 C ATOM 958 CE1 PHE A 63 3.844 4.097 3.401 1.00 0.00 C ATOM 959 CE2 PHE A 63 3.308 4.934 5.573 1.00 0.00 C ATOM 960 CZ PHE A 63 3.725 5.157 4.278 1.00 0.00 C ATOM 0 H PHE A 63 0.290 0.521 5.117 1.00 0.00 H new ATOM 0 HA PHE A 63 2.775 0.502 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.078 1.238 6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.713 0.740 5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.643 1.991 3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.682 3.482 7.004 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.170 4.269 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.215 5.761 6.261 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.958 6.159 3.950 1.00 0.00 H new ATOM 970 N ALA A 64 2.901 -1.973 3.860 1.00 0.00 N ATOM 971 CA ALA A 64 3.373 -3.319 4.102 1.00 0.00 C ATOM 972 C ALA A 64 4.887 -3.293 4.091 1.00 0.00 C ATOM 973 O ALA A 64 5.520 -3.455 3.046 1.00 0.00 O ATOM 974 CB ALA A 64 2.835 -4.279 3.054 1.00 0.00 C ATOM 0 H ALA A 64 2.870 -1.705 2.876 1.00 0.00 H new ATOM 0 HA ALA A 64 3.015 -3.672 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.204 -5.284 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.745 -4.279 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.169 -3.963 2.066 1.00 0.00 H new ATOM 980 N VAL A 65 5.473 -3.068 5.251 1.00 0.00 N ATOM 981 CA VAL A 65 6.886 -2.760 5.317 1.00 0.00 C ATOM 982 C VAL A 65 7.615 -3.586 6.361 1.00 0.00 C ATOM 983 O VAL A 65 7.073 -4.541 6.918 1.00 0.00 O ATOM 984 CB VAL A 65 7.124 -1.258 5.601 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.681 -0.411 4.416 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.405 -0.825 6.871 1.00 0.00 C ATOM 0 H VAL A 65 4.997 -3.093 6.153 1.00 0.00 H new ATOM 0 HA VAL A 65 7.291 -3.014 4.338 1.00 0.00 H new ATOM 0 HB VAL A 65 8.193 -1.106 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.857 0.642 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.250 -0.697 3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.619 -0.571 4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.588 0.235 7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.334 -0.995 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.778 -1.404 7.716 1.00 0.00 H new ATOM 996 N ASP A 66 8.847 -3.181 6.610 1.00 0.00 N ATOM 997 CA ASP A 66 9.760 -3.893 7.487 1.00 0.00 C ATOM 998 C ASP A 66 10.821 -2.918 7.976 1.00 0.00 C ATOM 999 O ASP A 66 11.288 -2.994 9.112 1.00 0.00 O ATOM 1000 CB ASP A 66 10.400 -5.059 6.727 1.00 0.00 C ATOM 1001 CG ASP A 66 11.478 -5.768 7.513 1.00 0.00 C ATOM 1002 OD1 ASP A 66 11.160 -6.368 8.561 1.00 0.00 O ATOM 1003 OD2 ASP A 66 12.649 -5.743 7.072 1.00 0.00 O ATOM 0 H ASP A 66 9.248 -2.336 6.203 1.00 0.00 H new ATOM 0 HA ASP A 66 9.224 -4.300 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.625 -5.777 6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.826 -4.686 5.796 1.00 0.00 H new ATOM 1008 N THR A 67 11.182 -1.998 7.095 1.00 0.00 N ATOM 1009 CA THR A 67 12.042 -0.882 7.442 1.00 0.00 C ATOM 1010 C THR A 67 11.258 0.419 7.246 1.00 0.00 C ATOM 1011 O THR A 67 10.064 0.376 6.934 1.00 0.00 O ATOM 1012 CB THR A 67 13.332 -0.882 6.585 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.263 0.090 7.081 1.00 0.00 O ATOM 1014 CG2 THR A 67 13.025 -0.602 5.119 1.00 0.00 C ATOM 0 H THR A 67 10.886 -2.006 6.119 1.00 0.00 H new ATOM 0 HA THR A 67 12.349 -0.973 8.484 1.00 0.00 H new ATOM 0 HB THR A 67 13.776 -1.875 6.658 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.074 0.077 6.531 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.952 -0.609 4.545 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.354 -1.370 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.549 0.374 5.027 1.00 0.00 H new ATOM 1022 N LYS A 68 11.904 1.561 7.435 1.00 0.00 N ATOM 1023 CA LYS A 68 11.228 2.841 7.285 1.00 0.00 C ATOM 1024 C LYS A 68 11.127 3.229 5.814 1.00 0.00 C ATOM 1025 O LYS A 68 11.898 2.756 4.980 1.00 0.00 O ATOM 1026 CB LYS A 68 11.966 3.942 8.047 1.00 0.00 C ATOM 1027 CG LYS A 68 13.280 4.345 7.399 1.00 0.00 C ATOM 1028 CD LYS A 68 13.901 5.551 8.082 1.00 0.00 C ATOM 1029 CE LYS A 68 15.232 5.922 7.451 1.00 0.00 C ATOM 1030 NZ LYS A 68 16.242 4.846 7.617 1.00 0.00 N ATOM 0 H LYS A 68 12.889 1.627 7.691 1.00 0.00 H new ATOM 0 HA LYS A 68 10.225 2.733 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.322 4.818 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.160 3.603 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.976 3.507 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.111 4.571 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.218 6.398 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.046 5.337 9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.087 6.123 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.604 6.842 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.189 5.223 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.217 4.494 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.029 4.066 6.963 1.00 0.00 H new ATOM 1044 N VAL A 69 10.185 4.106 5.509 1.00 0.00 N ATOM 1045 CA VAL A 69 10.001 4.592 4.154 1.00 0.00 C ATOM 1046 C VAL A 69 10.334 6.079 4.081 1.00 0.00 C ATOM 1047 O VAL A 69 10.285 6.785 5.089 1.00 0.00 O ATOM 1048 CB VAL A 69 8.558 4.374 3.650 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.181 2.903 3.700 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.572 5.199 4.455 1.00 0.00 C ATOM 0 H VAL A 69 9.532 4.498 6.188 1.00 0.00 H new ATOM 0 HA VAL A 69 10.675 4.022 3.515 1.00 0.00 H new ATOM 0 HB VAL A 69 8.515 4.704 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.160 2.777 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.862 2.331 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.250 2.544 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.563 5.028 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.624 4.907 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.820 6.256 4.360 1.00 0.00 H new ATOM 1060 N ARG A 70 10.675 6.552 2.894 1.00 0.00 N ATOM 1061 CA ARG A 70 10.997 7.960 2.705 1.00 0.00 C ATOM 1062 C ARG A 70 9.758 8.739 2.291 1.00 0.00 C ATOM 1063 O ARG A 70 9.523 9.851 2.756 1.00 0.00 O ATOM 1064 CB ARG A 70 12.077 8.125 1.637 1.00 0.00 C ATOM 1065 CG ARG A 70 12.505 9.570 1.433 1.00 0.00 C ATOM 1066 CD ARG A 70 13.439 9.718 0.245 1.00 0.00 C ATOM 1067 NE ARG A 70 13.944 11.082 0.120 1.00 0.00 N ATOM 1068 CZ ARG A 70 14.148 11.703 -1.039 1.00 0.00 C ATOM 1069 NH1 ARG A 70 13.846 11.105 -2.191 1.00 0.00 N ATOM 1070 NH2 ARG A 70 14.639 12.929 -1.043 1.00 0.00 N ATOM 0 H ARG A 70 10.736 5.985 2.048 1.00 0.00 H new ATOM 0 HA ARG A 70 11.367 8.350 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.948 7.531 1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.708 7.726 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.623 10.193 1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.001 9.933 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.276 9.029 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.913 9.440 -0.668 1.00 0.00 H new ATOM 0 HE ARG A 70 14.154 11.593 0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.455 10.163 -2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.006 11.589 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.859 13.393 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.798 13.412 -1.927 1.00 0.00 H new ATOM 1084 N ASN A 71 8.958 8.120 1.438 1.00 0.00 N ATOM 1085 CA ASN A 71 7.813 8.773 0.812 1.00 0.00 C ATOM 1086 C ASN A 71 6.696 9.081 1.807 1.00 0.00 C ATOM 1087 O ASN A 71 5.711 9.729 1.451 1.00 0.00 O ATOM 1088 CB ASN A 71 7.303 7.921 -0.348 1.00 0.00 C ATOM 1089 CG ASN A 71 8.216 8.029 -1.557 1.00 0.00 C ATOM 1090 OD1 ASN A 71 9.371 8.443 -1.442 1.00 0.00 O ATOM 1091 ND2 ASN A 71 7.733 7.617 -2.711 1.00 0.00 N ATOM 0 H ASN A 71 9.082 7.147 1.157 1.00 0.00 H new ATOM 0 HA ASN A 71 8.149 9.736 0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.234 6.880 -0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.297 8.239 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.320 7.635 -3.545 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.772 7.280 -2.771 1.00 0.00 H new ATOM 1098 N LYS A 72 6.852 8.614 3.048 1.00 0.00 N ATOM 1099 CA LYS A 72 5.910 8.931 4.128 1.00 0.00 C ATOM 1100 C LYS A 72 5.638 10.439 4.214 1.00 0.00 C ATOM 1101 O LYS A 72 4.608 10.856 4.736 1.00 0.00 O ATOM 1102 CB LYS A 72 6.428 8.418 5.478 1.00 0.00 C ATOM 1103 CG LYS A 72 7.757 9.022 5.908 1.00 0.00 C ATOM 1104 CD LYS A 72 8.130 8.585 7.316 1.00 0.00 C ATOM 1105 CE LYS A 72 9.443 9.204 7.773 1.00 0.00 C ATOM 1106 NZ LYS A 72 9.422 10.689 7.693 1.00 0.00 N ATOM 0 H LYS A 72 7.625 8.012 3.332 1.00 0.00 H new ATOM 0 HA LYS A 72 4.973 8.426 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.682 8.628 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.534 7.334 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.539 8.720 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.696 10.109 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.335 8.868 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.210 7.498 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.648 8.900 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.257 8.820 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.227 11.077 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.491 10.984 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.534 11.046 8.099 1.00 0.00 H new ATOM 1120 N GLU A 73 6.581 11.232 3.703 1.00 0.00 N ATOM 1121 CA GLU A 73 6.456 12.694 3.637 1.00 0.00 C ATOM 1122 C GLU A 73 5.063 13.117 3.184 1.00 0.00 C ATOM 1123 O GLU A 73 4.413 13.954 3.811 1.00 0.00 O ATOM 1124 CB GLU A 73 7.457 13.264 2.628 1.00 0.00 C ATOM 1125 CG GLU A 73 8.890 12.819 2.832 1.00 0.00 C ATOM 1126 CD GLU A 73 9.762 13.180 1.650 1.00 0.00 C ATOM 1127 OE1 GLU A 73 9.573 12.585 0.570 1.00 0.00 O ATOM 1128 OE2 GLU A 73 10.632 14.062 1.799 1.00 0.00 O ATOM 0 H GLU A 73 7.458 10.879 3.321 1.00 0.00 H new ATOM 0 HA GLU A 73 6.649 13.075 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.142 12.978 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.419 14.352 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.290 13.282 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.917 11.741 2.988 1.00 0.00 H new ATOM 1135 N ARG A 74 4.617 12.525 2.084 1.00 0.00 N ATOM 1136 CA ARG A 74 3.378 12.927 1.440 1.00 0.00 C ATOM 1137 C ARG A 74 2.172 12.251 2.077 1.00 0.00 C ATOM 1138 O ARG A 74 1.057 12.770 2.019 1.00 0.00 O ATOM 1139 CB ARG A 74 3.452 12.618 -0.057 1.00 0.00 C ATOM 1140 CG ARG A 74 3.698 11.153 -0.381 1.00 0.00 C ATOM 1141 CD ARG A 74 4.664 10.995 -1.547 1.00 0.00 C ATOM 1142 NE ARG A 74 6.027 11.419 -1.201 1.00 0.00 N ATOM 1143 CZ ARG A 74 7.074 11.325 -2.027 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.913 10.866 -3.264 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.283 11.698 -1.619 1.00 0.00 N ATOM 0 H ARG A 74 5.101 11.758 1.617 1.00 0.00 H new ATOM 0 HA ARG A 74 3.251 14.001 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.520 12.931 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.249 13.215 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.100 10.647 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.752 10.669 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.680 9.952 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.307 11.581 -2.394 1.00 0.00 H new ATOM 0 HE ARG A 74 6.185 11.810 -0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.988 10.584 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.715 10.796 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.414 12.057 -0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.080 11.625 -2.252 1.00 0.00 H new ATOM 1159 N PHE A 75 2.396 11.096 2.690 1.00 0.00 N ATOM 1160 CA PHE A 75 1.333 10.370 3.359 1.00 0.00 C ATOM 1161 C PHE A 75 1.068 10.941 4.753 1.00 0.00 C ATOM 1162 O PHE A 75 0.117 10.542 5.425 1.00 0.00 O ATOM 1163 CB PHE A 75 1.696 8.891 3.456 1.00 0.00 C ATOM 1164 CG PHE A 75 2.108 8.285 2.141 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.276 8.363 1.034 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.326 7.644 2.013 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.657 7.809 -0.173 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.711 7.090 0.808 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.874 7.172 -0.286 1.00 0.00 C ATOM 0 H PHE A 75 3.309 10.643 2.736 1.00 0.00 H new ATOM 0 HA PHE A 75 0.421 10.479 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.509 8.771 4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.841 8.340 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.321 8.861 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.985 7.576 2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.001 7.875 -1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.666 6.593 0.722 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.172 6.738 -1.229 1.00 0.00 H new ATOM 1179 N ASP A 76 1.911 11.875 5.181 1.00 0.00 N ATOM 1180 CA ASP A 76 1.738 12.533 6.473 1.00 0.00 C ATOM 1181 C ASP A 76 0.442 13.333 6.481 1.00 0.00 C ATOM 1182 O ASP A 76 0.245 14.219 5.644 1.00 0.00 O ATOM 1183 CB ASP A 76 2.920 13.459 6.768 1.00 0.00 C ATOM 1184 CG ASP A 76 2.828 14.113 8.135 1.00 0.00 C ATOM 1185 OD1 ASP A 76 2.107 15.120 8.276 1.00 0.00 O ATOM 1186 OD2 ASP A 76 3.502 13.634 9.072 1.00 0.00 O ATOM 0 H ASP A 76 2.722 12.194 4.652 1.00 0.00 H new ATOM 0 HA ASP A 76 1.693 11.767 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.847 12.889 6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.969 14.233 6.002 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.445 13.006 7.407 1.00 0.00 N ATOM 1192 CA GLY A 77 -1.725 13.677 7.474 1.00 0.00 C ATOM 1193 C GLY A 77 -2.807 12.875 6.790 1.00 0.00 C ATOM 1194 O GLY A 77 -3.997 13.161 6.937 1.00 0.00 O ATOM 0 H GLY A 77 -0.301 12.286 8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.997 13.841 8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.647 14.658 7.006 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.390 11.860 6.049 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.314 10.996 5.336 1.00 0.00 C ATOM 1200 C LYS A 78 -3.661 9.778 6.181 1.00 0.00 C ATOM 1201 O LYS A 78 -3.068 9.557 7.239 1.00 0.00 O ATOM 1202 CB LYS A 78 -2.712 10.554 4.001 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.540 11.693 3.008 1.00 0.00 C ATOM 1204 CD LYS A 78 -1.956 11.216 1.685 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.775 10.089 1.070 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.215 10.442 0.917 1.00 0.00 N ATOM 0 H LYS A 78 -1.408 11.614 5.926 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.227 11.558 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.742 10.092 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.351 9.790 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.506 12.166 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.888 12.453 3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.910 12.052 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.933 10.875 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.361 9.836 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.687 9.199 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.576 10.047 0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.755 10.049 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.319 11.477 0.905 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.611 8.985 5.711 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.050 7.809 6.447 1.00 0.00 C ATOM 1222 C VAL A 79 -4.149 6.622 6.118 1.00 0.00 C ATOM 1223 O VAL A 79 -4.068 6.201 4.970 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.513 7.457 6.121 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -7.013 6.366 7.047 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.397 8.691 6.215 1.00 0.00 C ATOM 0 H VAL A 79 -5.093 9.134 4.824 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.984 8.035 7.511 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.558 7.086 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.049 6.129 6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.398 5.475 6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.952 6.709 8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.426 8.420 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.349 9.096 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.050 9.442 5.506 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.469 6.091 7.126 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.463 5.060 6.909 1.00 0.00 C ATOM 1238 C VAL A 80 -2.831 3.754 7.615 1.00 0.00 C ATOM 1239 O VAL A 80 -3.370 3.766 8.720 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.077 5.535 7.407 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -0.015 4.477 7.162 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.685 6.846 6.739 1.00 0.00 C ATOM 0 H VAL A 80 -3.596 6.358 8.102 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.422 4.875 5.836 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.148 5.701 8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.948 4.838 7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.282 3.564 7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.052 4.269 6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.293 7.162 7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.642 6.705 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.425 7.611 6.976 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.543 2.637 6.955 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.719 1.310 7.528 1.00 0.00 C ATOM 1254 C LEU A 81 -1.389 0.560 7.429 1.00 0.00 C ATOM 1255 O LEU A 81 -0.900 0.302 6.330 1.00 0.00 O ATOM 1256 CB LEU A 81 -3.844 0.565 6.780 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.306 -0.777 7.378 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.356 -1.907 7.013 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.450 -0.675 8.888 1.00 0.00 C ATOM 0 H LEU A 81 -2.179 2.628 6.002 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.009 1.379 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.709 1.226 6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.511 0.385 5.758 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.281 -1.007 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.713 -2.839 7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.312 -2.010 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.360 -1.684 7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.777 -1.635 9.288 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.489 -0.407 9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.187 0.090 9.132 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.802 0.229 8.573 1.00 0.00 N ATOM 1272 CA GLU A 82 0.531 -0.363 8.602 1.00 0.00 C ATOM 1273 C GLU A 82 0.492 -1.833 9.008 1.00 0.00 C ATOM 1274 O GLU A 82 -0.046 -2.184 10.059 1.00 0.00 O ATOM 1275 CB GLU A 82 1.428 0.412 9.565 1.00 0.00 C ATOM 1276 CG GLU A 82 1.641 1.860 9.157 1.00 0.00 C ATOM 1277 CD GLU A 82 2.442 2.637 10.176 1.00 0.00 C ATOM 1278 OE1 GLU A 82 3.562 2.204 10.514 1.00 0.00 O ATOM 1279 OE2 GLU A 82 1.954 3.684 10.652 1.00 0.00 O ATOM 0 H GLU A 82 -1.227 0.360 9.491 1.00 0.00 H new ATOM 0 HA GLU A 82 0.937 -0.305 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.988 0.384 10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.396 -0.086 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.154 1.891 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.673 2.341 9.017 1.00 0.00 H new ATOM 1286 N VAL A 83 1.078 -2.680 8.171 1.00 0.00 N ATOM 1287 CA VAL A 83 1.161 -4.112 8.431 1.00 0.00 C ATOM 1288 C VAL A 83 2.540 -4.639 8.033 1.00 0.00 C ATOM 1289 O VAL A 83 3.247 -4.005 7.249 1.00 0.00 O ATOM 1290 CB VAL A 83 0.079 -4.907 7.657 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.304 -4.640 8.230 1.00 0.00 C ATOM 1292 CG2 VAL A 83 0.115 -4.563 6.175 1.00 0.00 C ATOM 0 H VAL A 83 1.509 -2.393 7.292 1.00 0.00 H new ATOM 0 HA VAL A 83 0.994 -4.254 9.499 1.00 0.00 H new ATOM 0 HB VAL A 83 0.297 -5.969 7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.046 -5.209 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.329 -4.943 9.277 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.530 -3.576 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.653 -5.132 5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.071 -3.497 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.094 -4.813 5.767 1.00 0.00 H new ATOM 1302 N PRO A 84 2.953 -5.789 8.585 1.00 0.00 N ATOM 1303 CA PRO A 84 4.197 -6.455 8.185 1.00 0.00 C ATOM 1304 C PRO A 84 4.158 -6.856 6.715 1.00 0.00 C ATOM 1305 O PRO A 84 3.123 -7.292 6.216 1.00 0.00 O ATOM 1306 CB PRO A 84 4.251 -7.699 9.082 1.00 0.00 C ATOM 1307 CG PRO A 84 3.342 -7.387 10.220 1.00 0.00 C ATOM 1308 CD PRO A 84 2.255 -6.525 9.647 1.00 0.00 C ATOM 0 HA PRO A 84 5.069 -5.811 8.296 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.922 -8.589 8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.266 -7.893 9.428 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.931 -8.298 10.654 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.875 -6.867 11.016 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.431 -7.120 9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.834 -5.854 10.395 1.00 0.00 H new ATOM 1316 N VAL A 85 5.286 -6.706 6.032 1.00 0.00 N ATOM 1317 CA VAL A 85 5.368 -6.972 4.595 1.00 0.00 C ATOM 1318 C VAL A 85 5.005 -8.424 4.255 1.00 0.00 C ATOM 1319 O VAL A 85 4.512 -8.714 3.164 1.00 0.00 O ATOM 1320 CB VAL A 85 6.778 -6.636 4.050 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.842 -7.525 4.681 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.815 -6.743 2.532 1.00 0.00 C ATOM 0 H VAL A 85 6.164 -6.400 6.451 1.00 0.00 H new ATOM 0 HA VAL A 85 4.637 -6.324 4.112 1.00 0.00 H new ATOM 0 HB VAL A 85 7.000 -5.605 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.820 -7.264 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.844 -7.379 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.624 -8.569 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.816 -6.502 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.557 -7.759 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.098 -6.045 2.100 1.00 0.00 H new ATOM 1332 N SER A 86 5.232 -9.330 5.192 1.00 0.00 N ATOM 1333 CA SER A 86 4.940 -10.741 4.979 1.00 0.00 C ATOM 1334 C SER A 86 3.437 -11.032 5.024 1.00 0.00 C ATOM 1335 O SER A 86 2.983 -12.055 4.507 1.00 0.00 O ATOM 1336 CB SER A 86 5.677 -11.576 6.023 1.00 0.00 C ATOM 1337 OG SER A 86 7.064 -11.278 6.002 1.00 0.00 O ATOM 0 H SER A 86 5.619 -9.114 6.111 1.00 0.00 H new ATOM 0 HA SER A 86 5.286 -11.010 3.981 1.00 0.00 H new ATOM 0 HB2 SER A 86 5.270 -11.374 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.523 -12.637 5.825 1.00 0.00 H new ATOM 0 HG SER A 86 7.525 -11.819 6.677 1.00 0.00 H new ATOM 1343 N ALA A 87 2.671 -10.128 5.625 1.00 0.00 N ATOM 1344 CA ALA A 87 1.237 -10.343 5.818 1.00 0.00 C ATOM 1345 C ALA A 87 0.446 -10.327 4.498 1.00 0.00 C ATOM 1346 O ALA A 87 -0.264 -11.289 4.204 1.00 0.00 O ATOM 1347 CB ALA A 87 0.670 -9.319 6.795 1.00 0.00 C ATOM 0 H ALA A 87 3.016 -9.239 5.987 1.00 0.00 H new ATOM 0 HA ALA A 87 1.123 -11.342 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.398 -9.494 6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.175 -9.415 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.827 -8.315 6.401 1.00 0.00 H new ATOM 1353 N PRO A 88 0.553 -9.252 3.676 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.257 -9.095 2.451 1.00 0.00 C ATOM 1355 C PRO A 88 -0.083 -10.226 1.441 1.00 0.00 C ATOM 1356 O PRO A 88 -0.879 -10.357 0.517 1.00 0.00 O ATOM 1357 CB PRO A 88 0.241 -7.780 1.850 1.00 0.00 C ATOM 1358 CG PRO A 88 0.839 -7.047 2.991 1.00 0.00 C ATOM 1359 CD PRO A 88 1.450 -8.097 3.864 1.00 0.00 C ATOM 0 HA PRO A 88 -1.320 -9.109 2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.976 -7.957 1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.576 -7.215 1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.590 -6.335 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.083 -6.478 3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.472 -8.327 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.488 -7.782 4.907 1.00 0.00 H new ATOM 1367 N ILE A 89 0.955 -11.033 1.608 1.00 0.00 N ATOM 1368 CA ILE A 89 1.165 -12.178 0.734 1.00 0.00 C ATOM 1369 C ILE A 89 -0.023 -13.130 0.820 1.00 0.00 C ATOM 1370 O ILE A 89 -0.597 -13.525 -0.196 1.00 0.00 O ATOM 1371 CB ILE A 89 2.462 -12.934 1.086 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.670 -12.023 0.858 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.580 -14.213 0.264 1.00 0.00 C ATOM 1374 CD1 ILE A 89 5.000 -12.701 1.098 1.00 0.00 C ATOM 0 H ILE A 89 1.661 -10.917 2.336 1.00 0.00 H new ATOM 0 HA ILE A 89 1.260 -11.801 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 89 2.432 -13.218 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.643 -11.649 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.590 -11.158 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.502 -14.731 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.728 -14.860 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.595 -13.964 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.808 -11.992 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.049 -13.051 2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.103 -13.550 0.422 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.391 -13.491 2.040 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.541 -14.350 2.259 1.00 0.00 C ATOM 1388 C LYS A 90 -2.782 -13.532 2.596 1.00 0.00 C ATOM 1389 O LYS A 90 -3.891 -13.872 2.182 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.265 -15.352 3.382 1.00 0.00 C ATOM 1391 CG LYS A 90 -0.195 -16.384 3.053 1.00 0.00 C ATOM 1392 CD LYS A 90 -0.497 -17.139 1.766 1.00 0.00 C ATOM 1393 CE LYS A 90 -1.887 -17.767 1.769 1.00 0.00 C ATOM 1394 NZ LYS A 90 -2.097 -18.699 2.908 1.00 0.00 N ATOM 0 H LYS A 90 0.090 -13.202 2.892 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.723 -14.895 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.963 -14.805 4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.192 -15.872 3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.771 -15.887 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.112 -17.093 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.412 -16.457 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.250 -17.919 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.637 -16.977 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.040 -18.304 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.017 -19.172 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.340 -19.412 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.081 -18.166 3.801 1.00 0.00 H new ATOM 1408 N ASP A 91 -2.589 -12.451 3.336 1.00 0.00 N ATOM 1409 CA ASP A 91 -3.701 -11.655 3.844 1.00 0.00 C ATOM 1410 C ASP A 91 -3.968 -10.433 2.972 1.00 0.00 C ATOM 1411 O ASP A 91 -4.392 -9.400 3.477 1.00 0.00 O ATOM 1412 CB ASP A 91 -3.408 -11.200 5.279 1.00 0.00 C ATOM 1413 CG ASP A 91 -3.428 -12.338 6.280 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -2.454 -13.116 6.324 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -4.414 -12.452 7.040 1.00 0.00 O ATOM 0 H ASP A 91 -1.668 -12.102 3.601 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.590 -12.286 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.432 -10.716 5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.144 -10.452 5.574 1.00 0.00 H new ATOM 1420 N ALA A 92 -3.748 -10.557 1.667 1.00 0.00 N ATOM 1421 CA ALA A 92 -3.973 -9.442 0.743 1.00 0.00 C ATOM 1422 C ALA A 92 -5.384 -8.881 0.887 1.00 0.00 C ATOM 1423 O ALA A 92 -5.565 -7.679 1.083 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.733 -9.879 -0.692 1.00 0.00 C ATOM 0 H ALA A 92 -3.416 -11.413 1.223 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.263 -8.655 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.905 -9.037 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.705 -10.224 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.417 -10.690 -0.945 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.374 -9.765 0.829 1.00 0.00 N ATOM 1431 CA GLU A 93 -7.772 -9.364 0.937 1.00 0.00 C ATOM 1432 C GLU A 93 -8.046 -8.778 2.317 1.00 0.00 C ATOM 1433 O GLU A 93 -8.844 -7.852 2.467 1.00 0.00 O ATOM 1434 CB GLU A 93 -8.686 -10.569 0.691 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.441 -11.269 -0.637 1.00 0.00 C ATOM 1436 CD GLU A 93 -8.766 -10.400 -1.828 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -7.872 -9.674 -2.299 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -9.916 -10.466 -2.312 1.00 0.00 O ATOM 0 H GLU A 93 -6.233 -10.768 0.707 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.977 -8.604 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.549 -11.287 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.724 -10.239 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.397 -11.577 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.044 -12.176 -0.680 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.345 -9.304 3.312 1.00 0.00 N ATOM 1446 CA LYS A 94 -7.513 -8.877 4.692 1.00 0.00 C ATOM 1447 C LYS A 94 -6.990 -7.453 4.860 1.00 0.00 C ATOM 1448 O LYS A 94 -7.607 -6.625 5.527 1.00 0.00 O ATOM 1449 CB LYS A 94 -6.763 -9.842 5.618 1.00 0.00 C ATOM 1450 CG LYS A 94 -6.879 -9.523 7.101 1.00 0.00 C ATOM 1451 CD LYS A 94 -8.306 -9.656 7.603 1.00 0.00 C ATOM 1452 CE LYS A 94 -8.373 -9.553 9.118 1.00 0.00 C ATOM 1453 NZ LYS A 94 -7.837 -8.258 9.619 1.00 0.00 N ATOM 0 H LYS A 94 -6.646 -10.036 3.185 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.571 -8.888 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.137 -10.851 5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.708 -9.842 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.232 -10.193 7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.524 -8.508 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.924 -8.878 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.718 -10.613 7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.407 -9.666 9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.809 -10.373 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.996 -8.190 10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.817 -8.205 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.323 -7.473 9.141 1.00 0.00 H new ATOM 1467 N VAL A 95 -5.861 -7.176 4.222 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.227 -5.867 4.298 1.00 0.00 C ATOM 1469 C VAL A 95 -6.046 -4.816 3.548 1.00 0.00 C ATOM 1470 O VAL A 95 -6.270 -3.713 4.051 1.00 0.00 O ATOM 1471 CB VAL A 95 -3.796 -5.920 3.721 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.128 -4.557 3.778 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -2.966 -6.952 4.464 1.00 0.00 C ATOM 0 H VAL A 95 -5.361 -7.848 3.640 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.176 -5.585 5.350 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.865 -6.213 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.122 -4.627 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.710 -3.842 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.072 -4.222 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.959 -6.978 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.914 -6.686 5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.428 -7.934 4.360 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.500 -5.172 2.351 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.292 -4.263 1.524 1.00 0.00 C ATOM 1485 C ILE A 96 -8.609 -3.914 2.213 1.00 0.00 C ATOM 1486 O ILE A 96 -9.005 -2.749 2.261 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.570 -4.877 0.133 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.247 -5.142 -0.588 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.459 -3.960 -0.699 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.396 -5.903 -1.886 1.00 0.00 C ATOM 0 H ILE A 96 -6.334 -6.086 1.929 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.713 -3.349 1.389 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.098 -5.821 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.759 -4.189 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.589 -5.702 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.640 -4.414 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.409 -3.811 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.965 -2.998 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.414 -6.051 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.855 -6.872 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.027 -5.335 -2.570 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.272 -4.924 2.768 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.533 -4.702 3.473 1.00 0.00 C ATOM 1504 C ASN A 97 -10.317 -3.898 4.748 1.00 0.00 C ATOM 1505 O ASN A 97 -11.123 -3.037 5.081 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.228 -6.023 3.810 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.045 -6.566 2.650 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.212 -6.211 2.483 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -11.449 -7.436 1.853 1.00 0.00 N ATOM 0 H ASN A 97 -8.962 -5.896 2.745 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.176 -4.133 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.479 -6.760 4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.880 -5.877 4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.958 -7.839 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.480 -7.705 2.025 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.224 -4.174 5.451 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.907 -3.459 6.682 1.00 0.00 C ATOM 1518 C ALA A 98 -8.684 -1.977 6.406 1.00 0.00 C ATOM 1519 O ALA A 98 -9.159 -1.117 7.151 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.683 -4.062 7.350 1.00 0.00 C ATOM 0 H ALA A 98 -8.543 -4.887 5.190 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.756 -3.558 7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.462 -3.515 8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.877 -5.108 7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.830 -3.996 6.674 1.00 0.00 H new ATOM 1526 N ALA A 99 -7.972 -1.685 5.324 1.00 0.00 N ATOM 1527 CA ALA A 99 -7.701 -0.308 4.932 1.00 0.00 C ATOM 1528 C ALA A 99 -8.996 0.435 4.620 1.00 0.00 C ATOM 1529 O ALA A 99 -9.148 1.607 4.947 1.00 0.00 O ATOM 1530 CB ALA A 99 -6.767 -0.273 3.734 1.00 0.00 C ATOM 0 H ALA A 99 -7.571 -2.386 4.701 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.215 0.194 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.574 0.762 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.827 -0.760 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.229 -0.796 2.897 1.00 0.00 H new ATOM 1536 N LEU A 100 -9.928 -0.254 3.981 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.220 0.332 3.660 1.00 0.00 C ATOM 1538 C LEU A 100 -12.102 0.435 4.904 1.00 0.00 C ATOM 1539 O LEU A 100 -12.911 1.352 5.031 1.00 0.00 O ATOM 1540 CB LEU A 100 -11.921 -0.486 2.573 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.191 -0.530 1.229 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -11.933 -1.419 0.244 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -11.030 0.876 0.666 1.00 0.00 C ATOM 0 H LEU A 100 -9.814 -1.220 3.674 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.050 1.341 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.050 -1.507 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.918 -0.075 2.415 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.200 -0.953 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.397 -1.437 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.996 -2.431 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.938 -1.028 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.509 0.828 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.013 1.325 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.453 1.483 1.363 1.00 0.00 H new ATOM 1555 N ALA A 101 -11.928 -0.500 5.826 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.764 -0.575 7.021 1.00 0.00 C ATOM 1557 C ALA A 101 -12.547 0.613 7.953 1.00 0.00 C ATOM 1558 O ALA A 101 -13.498 1.123 8.543 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.509 -1.878 7.765 1.00 0.00 C ATOM 0 H ALA A 101 -11.211 -1.223 5.771 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.802 -0.544 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.139 -1.919 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.743 -2.720 7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.461 -1.929 8.061 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.303 1.064 8.074 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.979 2.141 9.003 1.00 0.00 C ATOM 1567 C LEU A 102 -11.471 3.508 8.512 1.00 0.00 C ATOM 1568 O LEU A 102 -11.365 4.506 9.227 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.477 2.147 9.324 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.540 2.091 8.125 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -8.609 3.383 7.348 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -7.115 1.810 8.573 1.00 0.00 C ATOM 0 H LEU A 102 -10.508 0.704 7.545 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.518 1.946 9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.251 3.047 9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.260 1.296 9.970 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.858 1.277 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.934 3.330 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.628 3.542 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.314 4.211 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.460 1.774 7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.782 2.601 9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.079 0.853 9.094 1.00 0.00 H new ATOM 1584 N ILE A 103 -12.000 3.556 7.291 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.648 4.766 6.792 1.00 0.00 C ATOM 1586 C ILE A 103 -14.146 4.533 6.610 1.00 0.00 C ATOM 1587 O ILE A 103 -14.958 5.439 6.811 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.036 5.275 5.463 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -11.976 4.158 4.418 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.652 5.857 5.706 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.479 4.616 3.062 1.00 0.00 C ATOM 0 H ILE A 103 -11.993 2.776 6.633 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.480 5.538 7.543 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.681 6.062 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.324 3.365 4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.970 3.726 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.235 6.210 4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.725 6.690 6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.002 5.088 6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.464 3.770 2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.143 5.388 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.472 5.020 3.161 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.506 3.310 6.243 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.901 2.934 6.053 1.00 0.00 C ATOM 1605 C ASP A 104 -16.078 1.439 6.288 1.00 0.00 C ATOM 1606 O ASP A 104 -16.496 1.017 7.365 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.373 3.315 4.641 1.00 0.00 C ATOM 1608 CG ASP A 104 -17.741 2.753 4.300 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -18.751 3.277 4.813 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -17.811 1.791 3.508 1.00 0.00 O ATOM 0 H ASP A 104 -13.843 2.554 6.069 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.510 3.476 6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -16.401 4.401 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.647 2.955 3.912 1.00 0.00 H new