USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 35 THR OG1 : rot -65:sc= 0.0953 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.095 USER MOD Single : A 10 THR OG1 : rot 79:sc= 1.14 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 23 THR OG1 : rot 131:sc= 1.22 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.05) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.753 K(o=0.75,f=-0.15) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 158:sc= -1.85 (180deg=-4.87!) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00272 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.703 K(o=-0.7,f=-5.6!) USER MOD Single : A 76 CYS SG : rot 39:sc= 0.0458 USER MOD Single : A 80 HIS : no HE2:sc= 0.646 K(o=0.65,f=-2.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.223 USER MOD Single : A 82 HIS : no HE2:sc= -0.645 K(o=-0.64,f=-3.2!) USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= -0.0162 (180deg=-0.596) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 91 SER OG : rot -63:sc= 1.27 USER MOD Single : A 96 GLN : amide:sc= -0.394 K(o=-0.39,f=-3.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 103 CYS SG : rot 101:sc= 1.32 USER MOD Single : A 106 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.832 -14.465 -3.959 1.00 0.00 N ATOM 86 CA PHE A 9 8.570 -13.737 -3.803 1.00 0.00 C ATOM 87 C PHE A 9 7.681 -14.340 -2.688 1.00 0.00 C ATOM 88 O PHE A 9 8.086 -15.240 -1.950 1.00 0.00 O ATOM 89 CB PHE A 9 7.940 -13.608 -5.209 1.00 0.00 C ATOM 90 CG PHE A 9 6.497 -13.151 -5.317 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.469 -14.099 -5.162 1.00 0.00 C ATOM 92 CD2 PHE A 9 6.166 -11.812 -5.606 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.134 -13.705 -5.301 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.816 -11.417 -5.704 1.00 0.00 C ATOM 95 CZ PHE A 9 3.807 -12.380 -5.549 1.00 0.00 C ATOM 0 HA PHE A 9 8.722 -12.724 -3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.552 -12.913 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.017 -14.579 -5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.710 -15.127 -4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.951 -11.085 -5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.349 -14.441 -5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.561 -10.385 -5.896 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.770 -12.088 -5.623 1.00 0.00 H new ATOM 105 N THR A 10 6.492 -13.779 -2.469 1.00 0.00 N ATOM 106 CA THR A 10 5.510 -14.295 -1.532 1.00 0.00 C ATOM 107 C THR A 10 4.618 -15.319 -2.254 1.00 0.00 C ATOM 108 O THR A 10 5.146 -16.300 -2.774 1.00 0.00 O ATOM 109 CB THR A 10 4.784 -13.101 -0.883 1.00 0.00 C ATOM 110 OG1 THR A 10 5.702 -12.097 -0.500 1.00 0.00 O ATOM 111 CG2 THR A 10 4.043 -13.483 0.398 1.00 0.00 C ATOM 0 H THR A 10 6.184 -12.935 -2.952 1.00 0.00 H new ATOM 0 HA THR A 10 5.957 -14.848 -0.706 1.00 0.00 H new ATOM 0 HB THR A 10 4.083 -12.754 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.963 -11.575 -1.287 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.551 -12.602 0.810 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.296 -14.244 0.173 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.753 -13.876 1.126 1.00 0.00 H new ATOM 119 N ARG A 11 3.298 -15.091 -2.292 1.00 0.00 N ATOM 120 CA ARG A 11 2.197 -15.760 -2.979 1.00 0.00 C ATOM 121 C ARG A 11 0.968 -15.575 -2.127 1.00 0.00 C ATOM 122 O ARG A 11 0.249 -14.596 -2.290 1.00 0.00 O ATOM 123 CB ARG A 11 2.449 -17.220 -3.416 1.00 0.00 C ATOM 124 CG ARG A 11 2.927 -17.213 -4.874 1.00 0.00 C ATOM 125 CD ARG A 11 3.637 -18.497 -5.291 1.00 0.00 C ATOM 126 NE ARG A 11 4.052 -18.370 -6.693 1.00 0.00 N ATOM 127 CZ ARG A 11 4.829 -19.195 -7.392 1.00 0.00 C ATOM 128 NH1 ARG A 11 5.251 -20.340 -6.865 1.00 0.00 N ATOM 129 NH2 ARG A 11 5.169 -18.851 -8.625 1.00 0.00 N ATOM 0 H ARG A 11 2.929 -14.307 -1.754 1.00 0.00 H new ATOM 0 HA ARG A 11 2.066 -15.289 -3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.197 -17.684 -2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.536 -17.808 -3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.070 -17.053 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.602 -16.370 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.504 -18.673 -4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.973 -19.353 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 11 3.703 -17.551 -7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.980 -20.595 -5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.846 -20.964 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.836 -17.971 -9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.763 -19.466 -9.181 1.00 0.00 H new ATOM 143 N ASP A 12 0.781 -16.414 -1.119 1.00 0.00 N ATOM 144 CA ASP A 12 -0.489 -16.471 -0.396 1.00 0.00 C ATOM 145 C ASP A 12 -0.581 -15.438 0.740 1.00 0.00 C ATOM 146 O ASP A 12 -1.337 -15.610 1.697 1.00 0.00 O ATOM 147 CB ASP A 12 -0.711 -17.902 0.097 1.00 0.00 C ATOM 148 CG ASP A 12 -2.165 -18.152 0.510 1.00 0.00 C ATOM 149 OD1 ASP A 12 -3.091 -17.475 0.013 1.00 0.00 O ATOM 150 OD2 ASP A 12 -2.396 -19.069 1.332 1.00 0.00 O ATOM 0 H ASP A 12 1.489 -17.065 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.292 -16.199 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.433 -18.603 -0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.055 -18.098 0.945 1.00 0.00 H new ATOM 155 N ALA A 13 0.273 -14.407 0.702 1.00 0.00 N ATOM 156 CA ALA A 13 0.604 -13.444 1.752 1.00 0.00 C ATOM 157 C ALA A 13 1.171 -14.068 3.033 1.00 0.00 C ATOM 158 O ALA A 13 1.820 -13.374 3.812 1.00 0.00 O ATOM 159 CB ALA A 13 -0.601 -12.562 2.063 1.00 0.00 C ATOM 0 H ALA A 13 0.799 -14.210 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 13 1.413 -12.834 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.339 -11.851 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.897 -12.020 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.430 -13.184 2.401 1.00 0.00 H new ATOM 165 N SER A 14 0.991 -15.369 3.245 1.00 0.00 N ATOM 166 CA SER A 14 1.275 -16.034 4.497 1.00 0.00 C ATOM 167 C SER A 14 2.771 -16.011 4.810 1.00 0.00 C ATOM 168 O SER A 14 3.159 -16.077 5.976 1.00 0.00 O ATOM 169 CB SER A 14 0.758 -17.471 4.385 1.00 0.00 C ATOM 170 OG SER A 14 0.216 -17.906 5.612 1.00 0.00 O ATOM 0 H SER A 14 0.634 -15.999 2.527 1.00 0.00 H new ATOM 0 HA SER A 14 0.778 -15.516 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.002 -17.529 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.571 -18.133 4.087 1.00 0.00 H new ATOM 0 HG SER A 14 -0.110 -18.825 5.518 1.00 0.00 H new ATOM 176 N GLN A 15 3.612 -15.926 3.777 1.00 0.00 N ATOM 177 CA GLN A 15 5.060 -15.939 3.902 1.00 0.00 C ATOM 178 C GLN A 15 5.626 -14.559 4.261 1.00 0.00 C ATOM 179 O GLN A 15 6.835 -14.470 4.476 1.00 0.00 O ATOM 180 CB GLN A 15 5.700 -16.505 2.619 1.00 0.00 C ATOM 181 CG GLN A 15 5.169 -17.901 2.234 1.00 0.00 C ATOM 182 CD GLN A 15 3.889 -17.881 1.393 1.00 0.00 C ATOM 183 OE1 GLN A 15 3.768 -17.151 0.411 1.00 0.00 O ATOM 184 NE2 GLN A 15 2.900 -18.680 1.748 1.00 0.00 N ATOM 0 H GLN A 15 3.292 -15.845 2.812 1.00 0.00 H new ATOM 0 HA GLN A 15 5.317 -16.596 4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.517 -15.815 1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.780 -16.560 2.754 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.944 -18.431 1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.982 -18.469 3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.001 -19.285 2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.035 -18.692 1.208 1.00 0.00 H new ATOM 193 N LEU A 16 4.805 -13.496 4.339 1.00 0.00 N ATOM 194 CA LEU A 16 5.271 -12.229 4.904 1.00 0.00 C ATOM 195 C LEU A 16 5.542 -12.429 6.399 1.00 0.00 C ATOM 196 O LEU A 16 5.035 -13.363 7.029 1.00 0.00 O ATOM 197 CB LEU A 16 4.278 -11.061 4.692 1.00 0.00 C ATOM 198 CG LEU A 16 3.859 -10.764 3.237 1.00 0.00 C ATOM 199 CD1 LEU A 16 2.945 -9.536 3.164 1.00 0.00 C ATOM 200 CD2 LEU A 16 5.051 -10.527 2.308 1.00 0.00 C ATOM 0 H LEU A 16 3.835 -13.493 4.023 1.00 0.00 H new ATOM 0 HA LEU A 16 6.183 -11.948 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.378 -11.271 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.721 -10.157 5.110 1.00 0.00 H new ATOM 0 HG LEU A 16 3.329 -11.655 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.666 -9.351 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.047 -9.715 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.471 -8.667 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.691 -10.323 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.628 -9.675 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.684 -11.414 2.295 1.00 0.00 H new ATOM 212 N LYS A 17 6.312 -11.518 6.989 1.00 0.00 N ATOM 213 CA LYS A 17 6.656 -11.495 8.395 1.00 0.00 C ATOM 214 C LYS A 17 6.233 -10.144 8.918 1.00 0.00 C ATOM 215 O LYS A 17 6.729 -9.128 8.418 1.00 0.00 O ATOM 216 CB LYS A 17 8.164 -11.695 8.535 1.00 0.00 C ATOM 217 CG LYS A 17 8.579 -13.159 8.387 1.00 0.00 C ATOM 218 CD LYS A 17 8.204 -14.017 9.593 1.00 0.00 C ATOM 219 CE LYS A 17 8.761 -15.415 9.323 1.00 0.00 C ATOM 220 NZ LYS A 17 9.151 -16.098 10.566 1.00 0.00 N ATOM 0 H LYS A 17 6.728 -10.744 6.471 1.00 0.00 H new ATOM 0 HA LYS A 17 6.160 -12.286 8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.678 -11.098 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.487 -11.326 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.110 -13.574 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.657 -13.210 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.624 -13.603 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.122 -14.049 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.012 -16.010 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.625 -15.341 8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.524 -17.042 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.884 -15.543 11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.321 -16.192 11.186 1.00 0.00 H new ATOM 234 N GLY A 18 5.282 -10.137 9.841 1.00 0.00 N ATOM 235 CA GLY A 18 4.676 -8.935 10.372 1.00 0.00 C ATOM 236 C GLY A 18 3.377 -9.260 11.093 1.00 0.00 C ATOM 237 O GLY A 18 3.033 -10.436 11.283 1.00 0.00 O ATOM 0 H GLY A 18 4.904 -10.992 10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.367 -8.447 11.060 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.482 -8.232 9.562 1.00 0.00 H new ATOM 241 N THR A 19 2.640 -8.221 11.479 1.00 0.00 N ATOM 242 CA THR A 19 1.232 -8.340 11.841 1.00 0.00 C ATOM 243 C THR A 19 0.413 -8.184 10.551 1.00 0.00 C ATOM 244 O THR A 19 0.939 -7.730 9.531 1.00 0.00 O ATOM 245 CB THR A 19 0.869 -7.270 12.891 1.00 0.00 C ATOM 246 OG1 THR A 19 1.937 -7.079 13.801 1.00 0.00 O ATOM 247 CG2 THR A 19 -0.385 -7.634 13.696 1.00 0.00 C ATOM 0 H THR A 19 3.005 -7.271 11.549 1.00 0.00 H new ATOM 0 HA THR A 19 1.015 -9.309 12.291 1.00 0.00 H new ATOM 0 HB THR A 19 0.671 -6.355 12.332 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.689 -6.396 14.458 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.594 -6.846 14.420 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.233 -7.740 13.020 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.220 -8.575 14.221 1.00 0.00 H new ATOM 255 N PHE A 20 -0.874 -8.526 10.591 1.00 0.00 N ATOM 256 CA PHE A 20 -1.838 -8.290 9.526 1.00 0.00 C ATOM 257 C PHE A 20 -3.016 -7.547 10.139 1.00 0.00 C ATOM 258 O PHE A 20 -3.436 -7.857 11.257 1.00 0.00 O ATOM 259 CB PHE A 20 -2.280 -9.622 8.915 1.00 0.00 C ATOM 260 CG PHE A 20 -1.400 -10.084 7.776 1.00 0.00 C ATOM 261 CD1 PHE A 20 -0.112 -10.606 8.016 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.898 -10.022 6.462 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.685 -11.034 6.938 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.112 -10.481 5.397 1.00 0.00 C ATOM 265 CZ PHE A 20 0.190 -10.953 5.623 1.00 0.00 C ATOM 0 H PHE A 20 -1.286 -8.993 11.399 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.401 -7.696 8.723 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.285 -10.386 9.693 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.305 -9.526 8.556 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.262 -10.677 9.026 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.883 -9.622 6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.676 -11.424 7.120 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.512 -10.471 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.810 -11.253 4.791 1.00 0.00 H new ATOM 275 N LEU A 21 -3.505 -6.520 9.453 1.00 0.00 N ATOM 276 CA LEU A 21 -4.551 -5.634 9.931 1.00 0.00 C ATOM 277 C LEU A 21 -5.304 -5.044 8.747 1.00 0.00 C ATOM 278 O LEU A 21 -4.827 -5.081 7.608 1.00 0.00 O ATOM 279 CB LEU A 21 -3.976 -4.521 10.831 1.00 0.00 C ATOM 280 CG LEU A 21 -2.568 -3.961 10.526 1.00 0.00 C ATOM 281 CD1 LEU A 21 -1.428 -4.858 11.030 1.00 0.00 C ATOM 282 CD2 LEU A 21 -2.350 -3.528 9.075 1.00 0.00 C ATOM 0 H LEU A 21 -3.172 -6.277 8.520 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.246 -6.213 10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.675 -3.685 10.807 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.965 -4.898 11.854 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.532 -3.042 11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.469 -4.403 10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.506 -4.972 12.111 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.499 -5.837 10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.335 -3.149 8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.498 -4.382 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.062 -2.743 8.819 1.00 0.00 H new ATOM 294 N SER A 22 -6.477 -4.478 9.027 1.00 0.00 N ATOM 295 CA SER A 22 -7.370 -3.953 8.008 1.00 0.00 C ATOM 296 C SER A 22 -8.111 -2.700 8.471 1.00 0.00 C ATOM 297 O SER A 22 -8.231 -2.420 9.665 1.00 0.00 O ATOM 298 CB SER A 22 -8.373 -5.049 7.616 1.00 0.00 C ATOM 299 OG SER A 22 -7.738 -6.130 6.971 1.00 0.00 O ATOM 0 H SER A 22 -6.833 -4.372 9.977 1.00 0.00 H new ATOM 0 HA SER A 22 -6.769 -3.661 7.147 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.887 -5.408 8.508 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.133 -4.628 6.958 1.00 0.00 H new ATOM 0 HG SER A 22 -8.405 -6.809 6.737 1.00 0.00 H new ATOM 305 N THR A 23 -8.671 -1.973 7.504 1.00 0.00 N ATOM 306 CA THR A 23 -9.546 -0.831 7.722 1.00 0.00 C ATOM 307 C THR A 23 -10.550 -0.777 6.560 1.00 0.00 C ATOM 308 O THR A 23 -10.280 -1.284 5.463 1.00 0.00 O ATOM 309 CB THR A 23 -8.712 0.465 7.897 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.558 1.590 7.887 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.649 0.713 6.822 1.00 0.00 C ATOM 0 H THR A 23 -8.520 -2.173 6.515 1.00 0.00 H new ATOM 0 HA THR A 23 -10.113 -0.931 8.648 1.00 0.00 H new ATOM 0 HB THR A 23 -8.198 0.320 8.847 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.344 2.167 8.649 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.124 1.643 7.038 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.937 -0.113 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.129 0.785 5.846 1.00 0.00 H new ATOM 319 N THR A 24 -11.693 -0.130 6.789 1.00 0.00 N ATOM 320 CA THR A 24 -12.629 0.295 5.763 1.00 0.00 C ATOM 321 C THR A 24 -12.647 1.822 5.764 1.00 0.00 C ATOM 322 O THR A 24 -13.104 2.422 6.739 1.00 0.00 O ATOM 323 CB THR A 24 -14.023 -0.307 5.994 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.961 -1.716 5.914 1.00 0.00 O ATOM 325 CG2 THR A 24 -15.007 0.167 4.918 1.00 0.00 C ATOM 0 H THR A 24 -11.998 0.119 7.730 1.00 0.00 H new ATOM 0 HA THR A 24 -12.315 -0.065 4.783 1.00 0.00 H new ATOM 0 HB THR A 24 -14.359 0.014 6.980 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.854 -2.092 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.987 -0.272 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 24 -15.085 1.254 4.949 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.649 -0.143 3.936 1.00 0.00 H new ATOM 333 N LEU A 25 -12.180 2.452 4.681 1.00 0.00 N ATOM 334 CA LEU A 25 -12.305 3.888 4.485 1.00 0.00 C ATOM 335 C LEU A 25 -13.499 4.118 3.578 1.00 0.00 C ATOM 336 O LEU A 25 -13.598 3.489 2.518 1.00 0.00 O ATOM 337 CB LEU A 25 -11.072 4.501 3.798 1.00 0.00 C ATOM 338 CG LEU A 25 -9.703 4.371 4.494 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.829 5.536 4.036 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.760 4.409 6.024 1.00 0.00 C ATOM 0 H LEU A 25 -11.704 1.973 3.917 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.413 4.358 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.985 4.051 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.269 5.563 3.649 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.308 3.394 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.852 5.468 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.706 5.495 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.304 6.478 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.752 4.311 6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.191 5.356 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.377 3.587 6.386 1.00 0.00 H new ATOM 352 N LYS A 26 -14.380 5.054 3.933 1.00 0.00 N ATOM 353 CA LYS A 26 -15.356 5.589 2.985 1.00 0.00 C ATOM 354 C LYS A 26 -14.676 6.724 2.217 1.00 0.00 C ATOM 355 O LYS A 26 -13.987 7.551 2.820 1.00 0.00 O ATOM 356 CB LYS A 26 -16.622 6.022 3.747 1.00 0.00 C ATOM 357 CG LYS A 26 -17.830 6.266 2.823 1.00 0.00 C ATOM 358 CD LYS A 26 -19.115 6.592 3.610 1.00 0.00 C ATOM 359 CE LYS A 26 -19.599 5.384 4.430 1.00 0.00 C ATOM 360 NZ LYS A 26 -20.885 5.614 5.120 1.00 0.00 N ATOM 0 H LYS A 26 -14.437 5.456 4.869 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.684 4.845 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.880 5.255 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.409 6.934 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.604 7.088 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.998 5.382 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -18.930 7.434 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -19.898 6.900 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.700 4.524 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.840 5.130 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -21.151 4.761 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.789 6.415 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -21.622 5.828 4.418 1.00 0.00 H new ATOM 374 N LYS A 27 -14.801 6.733 0.893 1.00 0.00 N ATOM 375 CA LYS A 27 -14.200 7.687 -0.033 1.00 0.00 C ATOM 376 C LYS A 27 -14.942 9.015 0.090 1.00 0.00 C ATOM 377 O LYS A 27 -15.977 9.188 -0.548 1.00 0.00 O ATOM 378 CB LYS A 27 -14.273 7.077 -1.447 1.00 0.00 C ATOM 379 CG LYS A 27 -13.544 7.915 -2.509 1.00 0.00 C ATOM 380 CD LYS A 27 -13.036 7.022 -3.646 1.00 0.00 C ATOM 381 CE LYS A 27 -12.534 7.831 -4.849 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.766 6.986 -5.788 1.00 0.00 N ATOM 0 H LYS A 27 -15.360 6.030 0.408 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.152 7.886 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.843 6.076 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.319 6.968 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.218 8.673 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.707 8.443 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.229 6.390 -3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.838 6.358 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.382 8.276 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.907 8.652 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.342 7.584 -6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.013 6.488 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.402 6.291 -6.229 1.00 0.00 H new ATOM 396 N SER A 28 -14.457 9.930 0.920 1.00 0.00 N ATOM 397 CA SER A 28 -15.109 11.201 1.193 1.00 0.00 C ATOM 398 C SER A 28 -14.524 12.265 0.287 1.00 0.00 C ATOM 399 O SER A 28 -13.329 12.585 0.394 1.00 0.00 O ATOM 400 CB SER A 28 -14.913 11.589 2.650 1.00 0.00 C ATOM 401 OG SER A 28 -15.864 10.877 3.421 1.00 0.00 O ATOM 0 H SER A 28 -13.583 9.805 1.431 1.00 0.00 H new ATOM 0 HA SER A 28 -16.178 11.108 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.901 11.349 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.044 12.663 2.780 1.00 0.00 H new ATOM 0 HG SER A 28 -15.757 11.109 4.367 1.00 0.00 H new ATOM 407 N ASN A 29 -15.377 12.784 -0.601 1.00 0.00 N ATOM 408 CA ASN A 29 -15.020 13.627 -1.737 1.00 0.00 C ATOM 409 C ASN A 29 -13.827 12.993 -2.472 1.00 0.00 C ATOM 410 O ASN A 29 -13.618 11.783 -2.366 1.00 0.00 O ATOM 411 CB ASN A 29 -14.870 15.096 -1.270 1.00 0.00 C ATOM 412 CG ASN A 29 -16.199 15.843 -1.356 1.00 0.00 C ATOM 413 OD1 ASN A 29 -17.211 15.417 -0.800 1.00 0.00 O ATOM 414 ND2 ASN A 29 -16.252 16.942 -2.084 1.00 0.00 N ATOM 0 H ASN A 29 -16.382 12.618 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.806 13.679 -2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.504 15.118 -0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.126 15.601 -1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.135 17.443 -2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.410 17.291 -2.543 1.00 0.00 H new ATOM 421 N MET A 30 -13.094 13.794 -3.245 1.00 0.00 N ATOM 422 CA MET A 30 -11.748 13.585 -3.777 1.00 0.00 C ATOM 423 C MET A 30 -11.278 12.128 -3.896 1.00 0.00 C ATOM 424 O MET A 30 -11.182 11.612 -5.008 1.00 0.00 O ATOM 425 CB MET A 30 -10.743 14.421 -2.962 1.00 0.00 C ATOM 426 CG MET A 30 -11.112 15.908 -2.927 1.00 0.00 C ATOM 427 SD MET A 30 -9.755 16.998 -2.445 1.00 0.00 S ATOM 428 CE MET A 30 -10.545 18.622 -2.569 1.00 0.00 C ATOM 0 H MET A 30 -13.466 14.696 -3.544 1.00 0.00 H new ATOM 0 HA MET A 30 -11.796 13.920 -4.813 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.697 14.037 -1.943 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.747 14.307 -3.391 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.469 16.205 -3.913 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.940 16.049 -2.232 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.827 19.397 -2.300 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.887 18.783 -3.591 1.00 0.00 H new ATOM 0 HE3 MET A 30 -11.397 18.665 -1.890 1.00 0.00 H new ATOM 438 N GLY A 31 -10.897 11.472 -2.798 1.00 0.00 N ATOM 439 CA GLY A 31 -10.117 10.250 -2.837 1.00 0.00 C ATOM 440 C GLY A 31 -9.639 9.903 -1.440 1.00 0.00 C ATOM 441 O GLY A 31 -9.782 10.717 -0.518 1.00 0.00 O ATOM 0 H GLY A 31 -11.127 11.782 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.720 9.435 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.263 10.373 -3.504 1.00 0.00 H new ATOM 445 N PHE A 32 -9.116 8.692 -1.257 1.00 0.00 N ATOM 446 CA PHE A 32 -8.765 8.217 0.074 1.00 0.00 C ATOM 447 C PHE A 32 -7.633 9.060 0.650 1.00 0.00 C ATOM 448 O PHE A 32 -6.800 9.587 -0.092 1.00 0.00 O ATOM 449 CB PHE A 32 -8.400 6.729 0.067 1.00 0.00 C ATOM 450 CG PHE A 32 -9.422 5.836 -0.603 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.556 5.409 0.112 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.242 5.430 -1.939 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.490 4.552 -0.493 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.190 4.595 -2.554 1.00 0.00 C ATOM 455 CZ PHE A 32 -11.298 4.137 -1.822 1.00 0.00 C ATOM 0 H PHE A 32 -8.928 8.029 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.641 8.326 0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.442 6.605 -0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.264 6.396 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.709 5.741 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.375 5.761 -2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.353 4.213 0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.067 4.306 -3.587 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.005 3.463 -2.282 1.00 0.00 H new ATOM 465 N GLY A 33 -7.562 9.171 1.975 1.00 0.00 N ATOM 466 CA GLY A 33 -6.538 9.977 2.623 1.00 0.00 C ATOM 467 C GLY A 33 -5.202 9.249 2.714 1.00 0.00 C ATOM 468 O GLY A 33 -4.570 9.302 3.759 1.00 0.00 O ATOM 0 H GLY A 33 -8.205 8.710 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.406 10.907 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.871 10.247 3.625 1.00 0.00 H new ATOM 472 N PHE A 34 -4.748 8.578 1.658 1.00 0.00 N ATOM 473 CA PHE A 34 -3.405 8.025 1.547 1.00 0.00 C ATOM 474 C PHE A 34 -3.081 7.871 0.063 1.00 0.00 C ATOM 475 O PHE A 34 -3.996 7.889 -0.766 1.00 0.00 O ATOM 476 CB PHE A 34 -3.333 6.682 2.287 1.00 0.00 C ATOM 477 CG PHE A 34 -4.175 5.573 1.684 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.540 5.469 2.010 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.586 4.620 0.831 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.312 4.399 1.525 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.362 3.561 0.328 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.717 3.438 0.684 1.00 0.00 C ATOM 0 H PHE A 34 -5.322 8.400 0.834 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.670 8.686 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.294 6.355 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.647 6.836 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.999 6.218 2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.543 4.702 0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.354 4.314 1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.914 2.837 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.300 2.608 0.313 1.00 0.00 H new ATOM 492 N THR A 35 -1.811 7.679 -0.286 1.00 0.00 N ATOM 493 CA THR A 35 -1.389 7.383 -1.650 1.00 0.00 C ATOM 494 C THR A 35 -0.445 6.183 -1.627 1.00 0.00 C ATOM 495 O THR A 35 0.118 5.863 -0.579 1.00 0.00 O ATOM 496 CB THR A 35 -0.781 8.623 -2.330 1.00 0.00 C ATOM 497 OG1 THR A 35 0.431 9.056 -1.732 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.756 9.803 -2.379 1.00 0.00 C ATOM 0 H THR A 35 -1.039 7.725 0.379 1.00 0.00 H new ATOM 0 HA THR A 35 -2.254 7.117 -2.258 1.00 0.00 H new ATOM 0 HB THR A 35 -0.564 8.293 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.253 9.366 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.277 10.651 -2.868 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.646 9.516 -2.939 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.040 10.083 -1.364 1.00 0.00 H new ATOM 506 N ILE A 36 -0.274 5.508 -2.763 1.00 0.00 N ATOM 507 CA ILE A 36 0.411 4.229 -2.865 1.00 0.00 C ATOM 508 C ILE A 36 1.634 4.392 -3.785 1.00 0.00 C ATOM 509 O ILE A 36 1.737 5.387 -4.517 1.00 0.00 O ATOM 510 CB ILE A 36 -0.623 3.157 -3.311 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.921 3.197 -2.461 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.067 1.732 -3.183 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.053 4.030 -3.074 1.00 0.00 C ATOM 0 H ILE A 36 -0.619 5.849 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 36 0.811 3.883 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.840 3.399 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.276 2.177 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.684 3.598 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.823 1.016 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.820 1.630 -3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.198 1.537 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.921 4.004 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.721 5.061 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.322 3.618 -4.047 1.00 0.00 H new ATOM 525 N ILE A 37 2.569 3.446 -3.700 1.00 0.00 N ATOM 526 CA ILE A 37 3.712 3.218 -4.573 1.00 0.00 C ATOM 527 C ILE A 37 3.720 1.722 -4.891 1.00 0.00 C ATOM 528 O ILE A 37 3.316 0.894 -4.068 1.00 0.00 O ATOM 529 CB ILE A 37 5.019 3.715 -3.905 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.267 3.504 -4.790 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.248 3.149 -2.491 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.536 4.182 -4.243 1.00 0.00 C ATOM 0 H ILE A 37 2.539 2.758 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 37 3.640 3.784 -5.502 1.00 0.00 H new ATOM 0 HB ILE A 37 4.871 4.789 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.452 2.435 -4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.062 3.889 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.182 3.542 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.422 3.443 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.303 2.061 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.371 3.990 -4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.371 5.257 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.767 3.780 -3.256 1.00 0.00 H new ATOM 544 N GLY A 38 4.154 1.374 -6.094 1.00 0.00 N ATOM 545 CA GLY A 38 4.483 0.011 -6.480 1.00 0.00 C ATOM 546 C GLY A 38 5.710 0.019 -7.373 1.00 0.00 C ATOM 547 O GLY A 38 5.911 0.990 -8.109 1.00 0.00 O ATOM 0 H GLY A 38 4.290 2.049 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.670 -0.594 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.642 -0.443 -7.004 1.00 0.00 H new ATOM 551 N GLY A 39 6.470 -1.072 -7.338 1.00 0.00 N ATOM 552 CA GLY A 39 7.802 -1.236 -7.898 1.00 0.00 C ATOM 553 C GLY A 39 7.993 -0.940 -9.375 1.00 0.00 C ATOM 554 O GLY A 39 9.141 -0.924 -9.803 1.00 0.00 O ATOM 0 H GLY A 39 6.144 -1.925 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.482 -0.594 -7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.115 -2.265 -7.720 1.00 0.00 H new ATOM 558 N ASP A 40 6.905 -0.781 -10.134 1.00 0.00 N ATOM 559 CA ASP A 40 6.777 -0.530 -11.581 1.00 0.00 C ATOM 560 C ASP A 40 6.558 -1.866 -12.273 1.00 0.00 C ATOM 561 O ASP A 40 5.697 -2.001 -13.144 1.00 0.00 O ATOM 562 CB ASP A 40 8.000 0.169 -12.212 1.00 0.00 C ATOM 563 CG ASP A 40 7.727 0.801 -13.578 1.00 0.00 C ATOM 564 OD1 ASP A 40 6.569 1.179 -13.859 1.00 0.00 O ATOM 565 OD2 ASP A 40 8.700 1.048 -14.328 1.00 0.00 O ATOM 0 H ASP A 40 5.982 -0.830 -9.702 1.00 0.00 H new ATOM 0 HA ASP A 40 5.937 0.151 -11.715 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.353 0.943 -11.531 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.806 -0.557 -12.315 1.00 0.00 H new ATOM 570 N GLU A 41 7.329 -2.854 -11.828 1.00 0.00 N ATOM 571 CA GLU A 41 7.362 -4.230 -12.289 1.00 0.00 C ATOM 572 C GLU A 41 6.092 -5.003 -11.875 1.00 0.00 C ATOM 573 O GLU A 41 5.442 -4.633 -10.892 1.00 0.00 O ATOM 574 CB GLU A 41 8.625 -4.865 -11.688 1.00 0.00 C ATOM 575 CG GLU A 41 9.878 -4.507 -12.498 1.00 0.00 C ATOM 576 CD GLU A 41 10.081 -5.494 -13.649 1.00 0.00 C ATOM 577 OE1 GLU A 41 10.716 -6.545 -13.402 1.00 0.00 O ATOM 578 OE2 GLU A 41 9.576 -5.235 -14.768 1.00 0.00 O ATOM 0 H GLU A 41 7.999 -2.695 -11.075 1.00 0.00 H new ATOM 0 HA GLU A 41 7.388 -4.268 -13.378 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.748 -4.528 -10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.509 -5.948 -11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.785 -3.495 -12.893 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.752 -4.516 -11.847 1.00 0.00 H new ATOM 585 N PRO A 42 5.751 -6.102 -12.576 1.00 0.00 N ATOM 586 CA PRO A 42 4.486 -6.822 -12.427 1.00 0.00 C ATOM 587 C PRO A 42 4.555 -7.932 -11.356 1.00 0.00 C ATOM 588 O PRO A 42 3.910 -8.973 -11.500 1.00 0.00 O ATOM 589 CB PRO A 42 4.224 -7.361 -13.841 1.00 0.00 C ATOM 590 CG PRO A 42 5.621 -7.782 -14.286 1.00 0.00 C ATOM 591 CD PRO A 42 6.487 -6.663 -13.709 1.00 0.00 C ATOM 0 HA PRO A 42 3.676 -6.188 -12.066 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.528 -8.200 -13.835 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.800 -6.600 -14.495 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.899 -8.759 -13.890 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.703 -7.843 -15.371 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.455 -7.049 -13.389 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.682 -5.898 -14.461 1.00 0.00 H new ATOM 599 N ASP A 43 5.393 -7.744 -10.334 1.00 0.00 N ATOM 600 CA ASP A 43 5.570 -8.587 -9.152 1.00 0.00 C ATOM 601 C ASP A 43 6.574 -7.816 -8.285 1.00 0.00 C ATOM 602 O ASP A 43 7.781 -8.093 -8.284 1.00 0.00 O ATOM 603 CB ASP A 43 6.076 -10.016 -9.480 1.00 0.00 C ATOM 604 CG ASP A 43 4.999 -11.107 -9.507 1.00 0.00 C ATOM 605 OD1 ASP A 43 3.985 -11.040 -8.781 1.00 0.00 O ATOM 606 OD2 ASP A 43 5.228 -12.141 -10.186 1.00 0.00 O ATOM 0 H ASP A 43 6.013 -6.935 -10.311 1.00 0.00 H new ATOM 0 HA ASP A 43 4.619 -8.761 -8.649 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.570 -9.994 -10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.831 -10.293 -8.744 1.00 0.00 H new ATOM 611 N GLU A 44 6.091 -6.766 -7.624 1.00 0.00 N ATOM 612 CA GLU A 44 6.745 -5.988 -6.582 1.00 0.00 C ATOM 613 C GLU A 44 5.663 -5.675 -5.550 1.00 0.00 C ATOM 614 O GLU A 44 4.512 -5.453 -5.930 1.00 0.00 O ATOM 615 CB GLU A 44 7.325 -4.679 -7.152 1.00 0.00 C ATOM 616 CG GLU A 44 8.841 -4.775 -7.332 1.00 0.00 C ATOM 617 CD GLU A 44 9.577 -4.488 -6.017 1.00 0.00 C ATOM 618 OE1 GLU A 44 9.289 -3.458 -5.366 1.00 0.00 O ATOM 619 OE2 GLU A 44 10.420 -5.309 -5.588 1.00 0.00 O ATOM 0 H GLU A 44 5.155 -6.411 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 44 7.576 -6.541 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.856 -4.458 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.088 -3.852 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.105 -5.770 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.165 -4.067 -8.095 1.00 0.00 H new ATOM 626 N PHE A 45 6.009 -5.667 -4.261 1.00 0.00 N ATOM 627 CA PHE A 45 5.021 -5.477 -3.208 1.00 0.00 C ATOM 628 C PHE A 45 4.657 -4.000 -3.162 1.00 0.00 C ATOM 629 O PHE A 45 5.540 -3.144 -3.075 1.00 0.00 O ATOM 630 CB PHE A 45 5.538 -5.941 -1.838 1.00 0.00 C ATOM 631 CG PHE A 45 6.069 -7.363 -1.709 1.00 0.00 C ATOM 632 CD1 PHE A 45 5.924 -8.326 -2.732 1.00 0.00 C ATOM 633 CD2 PHE A 45 6.776 -7.703 -0.541 1.00 0.00 C ATOM 634 CE1 PHE A 45 6.567 -9.570 -2.625 1.00 0.00 C ATOM 635 CE2 PHE A 45 7.399 -8.955 -0.427 1.00 0.00 C ATOM 636 CZ PHE A 45 7.329 -9.873 -1.487 1.00 0.00 C ATOM 0 H PHE A 45 6.965 -5.790 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 45 4.145 -6.085 -3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.334 -5.260 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.727 -5.823 -1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.318 -8.105 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.840 -6.996 0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.475 -10.295 -3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.932 -9.213 0.476 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.861 -10.811 -1.426 1.00 0.00 H new ATOM 646 N LEU A 46 3.365 -3.695 -3.195 1.00 0.00 N ATOM 647 CA LEU A 46 2.875 -2.322 -3.202 1.00 0.00 C ATOM 648 C LEU A 46 2.884 -1.806 -1.765 1.00 0.00 C ATOM 649 O LEU A 46 2.607 -2.571 -0.837 1.00 0.00 O ATOM 650 CB LEU A 46 1.437 -2.312 -3.725 1.00 0.00 C ATOM 651 CG LEU A 46 1.295 -2.823 -5.174 1.00 0.00 C ATOM 652 CD1 LEU A 46 0.152 -3.831 -5.232 1.00 0.00 C ATOM 653 CD2 LEU A 46 0.995 -1.682 -6.143 1.00 0.00 C ATOM 0 H LEU A 46 2.625 -4.396 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 46 3.502 -1.695 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.819 -2.927 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.047 -1.296 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 46 2.238 -3.284 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.043 -4.199 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.369 -4.666 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.774 -3.349 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.901 -2.078 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.062 -1.197 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.807 -0.955 -6.112 1.00 0.00 H new ATOM 665 N GLN A 47 3.138 -0.510 -1.565 1.00 0.00 N ATOM 666 CA GLN A 47 3.218 0.087 -0.236 1.00 0.00 C ATOM 667 C GLN A 47 2.464 1.410 -0.190 1.00 0.00 C ATOM 668 O GLN A 47 2.396 2.124 -1.188 1.00 0.00 O ATOM 669 CB GLN A 47 4.674 0.328 0.183 1.00 0.00 C ATOM 670 CG GLN A 47 5.552 -0.928 0.111 1.00 0.00 C ATOM 671 CD GLN A 47 6.982 -0.665 0.564 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.913 -0.694 -0.236 1.00 0.00 O ATOM 673 NE2 GLN A 47 7.178 -0.380 1.843 1.00 0.00 N ATOM 0 H GLN A 47 3.294 0.153 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 47 2.761 -0.618 0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.104 1.099 -0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.690 0.714 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.115 -1.709 0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.561 -1.303 -0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.388 -0.362 2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.119 -0.178 2.182 1.00 0.00 H new ATOM 682 N VAL A 48 1.938 1.790 0.975 1.00 0.00 N ATOM 683 CA VAL A 48 1.436 3.134 1.207 1.00 0.00 C ATOM 684 C VAL A 48 2.634 4.098 1.126 1.00 0.00 C ATOM 685 O VAL A 48 3.537 4.043 1.966 1.00 0.00 O ATOM 686 CB VAL A 48 0.723 3.159 2.574 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.344 4.582 2.990 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.553 2.300 2.539 1.00 0.00 C ATOM 0 H VAL A 48 1.850 1.171 1.781 1.00 0.00 H new ATOM 0 HA VAL A 48 0.705 3.446 0.461 1.00 0.00 H new ATOM 0 HB VAL A 48 1.425 2.753 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.156 4.557 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.244 5.192 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.327 5.012 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.040 2.332 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.233 2.689 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.292 1.270 2.298 1.00 0.00 H new ATOM 698 N LYS A 49 2.669 4.950 0.096 1.00 0.00 N ATOM 699 CA LYS A 49 3.713 5.949 -0.158 1.00 0.00 C ATOM 700 C LYS A 49 3.631 7.077 0.869 1.00 0.00 C ATOM 701 O LYS A 49 4.653 7.493 1.404 1.00 0.00 O ATOM 702 CB LYS A 49 3.548 6.495 -1.585 1.00 0.00 C ATOM 703 CG LYS A 49 4.811 7.142 -2.181 1.00 0.00 C ATOM 704 CD LYS A 49 4.479 7.762 -3.556 1.00 0.00 C ATOM 705 CE LYS A 49 5.446 7.465 -4.715 1.00 0.00 C ATOM 706 NZ LYS A 49 6.726 8.185 -4.613 1.00 0.00 N ATOM 0 H LYS A 49 1.938 4.963 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 49 4.695 5.485 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.233 5.680 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.745 7.232 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.190 7.910 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.598 6.395 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.486 7.421 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.421 8.844 -3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.643 6.393 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.964 7.729 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.328 7.939 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.549 9.210 -4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.207 7.915 -3.731 1.00 0.00 H new ATOM 720 N SER A 50 2.419 7.540 1.179 1.00 0.00 N ATOM 721 CA SER A 50 2.150 8.433 2.289 1.00 0.00 C ATOM 722 C SER A 50 0.731 8.218 2.782 1.00 0.00 C ATOM 723 O SER A 50 -0.151 7.807 2.020 1.00 0.00 O ATOM 724 CB SER A 50 2.339 9.892 1.872 1.00 0.00 C ATOM 725 OG SER A 50 1.681 10.224 0.659 1.00 0.00 O ATOM 0 H SER A 50 1.583 7.294 0.648 1.00 0.00 H new ATOM 0 HA SER A 50 2.854 8.212 3.091 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.968 10.540 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.404 10.096 1.766 1.00 0.00 H new ATOM 0 HG SER A 50 1.839 11.168 0.449 1.00 0.00 H new ATOM 731 N VAL A 51 0.502 8.597 4.031 1.00 0.00 N ATOM 732 CA VAL A 51 -0.824 8.886 4.551 1.00 0.00 C ATOM 733 C VAL A 51 -1.024 10.396 4.361 1.00 0.00 C ATOM 734 O VAL A 51 -0.073 11.173 4.498 1.00 0.00 O ATOM 735 CB VAL A 51 -0.931 8.428 6.022 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.371 8.576 6.529 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.552 6.948 6.201 1.00 0.00 C ATOM 0 H VAL A 51 1.244 8.714 4.721 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.614 8.345 4.029 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.241 9.059 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.427 8.248 7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.675 9.621 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.036 7.964 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.643 6.674 7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.220 6.327 5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.476 6.793 5.873 1.00 0.00 H new ATOM 747 N ILE A 52 -2.232 10.823 3.999 1.00 0.00 N ATOM 748 CA ILE A 52 -2.603 12.226 3.993 1.00 0.00 C ATOM 749 C ILE A 52 -2.834 12.622 5.458 1.00 0.00 C ATOM 750 O ILE A 52 -3.710 12.028 6.098 1.00 0.00 O ATOM 751 CB ILE A 52 -3.884 12.466 3.168 1.00 0.00 C ATOM 752 CG1 ILE A 52 -3.810 12.075 1.692 1.00 0.00 C ATOM 753 CG2 ILE A 52 -4.291 13.912 3.133 1.00 0.00 C ATOM 754 CD1 ILE A 52 -2.767 12.753 0.813 1.00 0.00 C ATOM 0 H ILE A 52 -2.981 10.198 3.701 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.817 12.826 3.534 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.591 11.826 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.638 11.000 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.789 12.262 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.198 14.020 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.478 14.262 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.492 14.504 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.843 12.368 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.940 13.829 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.771 12.547 1.206 1.00 0.00 H new ATOM 766 N PRO A 53 -2.113 13.625 5.986 1.00 0.00 N ATOM 767 CA PRO A 53 -2.436 14.188 7.286 1.00 0.00 C ATOM 768 C PRO A 53 -3.839 14.781 7.229 1.00 0.00 C ATOM 769 O PRO A 53 -4.218 15.310 6.185 1.00 0.00 O ATOM 770 CB PRO A 53 -1.393 15.275 7.528 1.00 0.00 C ATOM 771 CG PRO A 53 -0.901 15.681 6.142 1.00 0.00 C ATOM 772 CD PRO A 53 -1.132 14.442 5.287 1.00 0.00 C ATOM 0 HA PRO A 53 -2.421 13.449 8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.826 16.125 8.055 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.573 14.903 8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.454 16.539 5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.152 15.962 6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.494 14.718 4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.202 13.892 5.145 1.00 0.00 H new ATOM 780 N ASP A 54 -4.603 14.728 8.324 1.00 0.00 N ATOM 781 CA ASP A 54 -5.975 15.265 8.441 1.00 0.00 C ATOM 782 C ASP A 54 -7.003 14.499 7.586 1.00 0.00 C ATOM 783 O ASP A 54 -8.206 14.773 7.646 1.00 0.00 O ATOM 784 CB ASP A 54 -5.961 16.772 8.112 1.00 0.00 C ATOM 785 CG ASP A 54 -7.162 17.570 8.605 1.00 0.00 C ATOM 786 OD1 ASP A 54 -7.679 17.297 9.707 1.00 0.00 O ATOM 787 OD2 ASP A 54 -7.497 18.600 7.969 1.00 0.00 O ATOM 0 H ASP A 54 -4.277 14.296 9.188 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.303 15.123 9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.058 17.209 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.891 16.888 7.030 1.00 0.00 H new ATOM 792 N GLY A 55 -6.557 13.500 6.813 1.00 0.00 N ATOM 793 CA GLY A 55 -7.396 12.695 5.943 1.00 0.00 C ATOM 794 C GLY A 55 -8.048 11.538 6.706 1.00 0.00 C ATOM 795 O GLY A 55 -7.587 11.160 7.780 1.00 0.00 O ATOM 0 H GLY A 55 -5.574 13.229 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.170 13.322 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.797 12.300 5.122 1.00 0.00 H new ATOM 799 N PRO A 56 -9.095 10.904 6.152 1.00 0.00 N ATOM 800 CA PRO A 56 -9.861 9.870 6.846 1.00 0.00 C ATOM 801 C PRO A 56 -9.025 8.639 7.192 1.00 0.00 C ATOM 802 O PRO A 56 -9.327 7.959 8.167 1.00 0.00 O ATOM 803 CB PRO A 56 -11.019 9.509 5.910 1.00 0.00 C ATOM 804 CG PRO A 56 -10.562 9.986 4.537 1.00 0.00 C ATOM 805 CD PRO A 56 -9.658 11.172 4.846 1.00 0.00 C ATOM 0 HA PRO A 56 -10.214 10.244 7.807 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.213 8.436 5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.943 10.001 6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.026 9.204 4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.407 10.279 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.875 11.273 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.222 12.105 4.846 1.00 0.00 H new ATOM 813 N ALA A 57 -7.980 8.356 6.412 1.00 0.00 N ATOM 814 CA ALA A 57 -7.067 7.257 6.679 1.00 0.00 C ATOM 815 C ALA A 57 -6.330 7.495 7.999 1.00 0.00 C ATOM 816 O ALA A 57 -6.210 6.576 8.807 1.00 0.00 O ATOM 817 CB ALA A 57 -6.084 7.152 5.512 1.00 0.00 C ATOM 0 H ALA A 57 -7.747 8.889 5.574 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.618 6.321 6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.390 6.332 5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.633 6.965 4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.528 8.085 5.420 1.00 0.00 H new ATOM 823 N ALA A 58 -5.853 8.730 8.200 1.00 0.00 N ATOM 824 CA ALA A 58 -5.227 9.156 9.437 1.00 0.00 C ATOM 825 C ALA A 58 -6.264 9.170 10.561 1.00 0.00 C ATOM 826 O ALA A 58 -5.939 8.737 11.666 1.00 0.00 O ATOM 827 CB ALA A 58 -4.588 10.539 9.255 1.00 0.00 C ATOM 0 H ALA A 58 -5.896 9.464 7.493 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.438 8.454 9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.121 10.850 10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.833 10.491 8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.356 11.261 8.976 1.00 0.00 H new ATOM 833 N GLN A 59 -7.495 9.638 10.307 1.00 0.00 N ATOM 834 CA GLN A 59 -8.544 9.726 11.329 1.00 0.00 C ATOM 835 C GLN A 59 -9.076 8.348 11.755 1.00 0.00 C ATOM 836 O GLN A 59 -9.673 8.254 12.825 1.00 0.00 O ATOM 837 CB GLN A 59 -9.719 10.614 10.867 1.00 0.00 C ATOM 838 CG GLN A 59 -9.314 12.063 10.540 1.00 0.00 C ATOM 839 CD GLN A 59 -10.252 13.102 11.155 1.00 0.00 C ATOM 840 OE1 GLN A 59 -10.271 13.290 12.369 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.018 13.818 10.348 1.00 0.00 N ATOM 0 H GLN A 59 -7.790 9.966 9.387 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.071 10.186 12.196 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.175 10.166 9.984 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.480 10.627 11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.300 12.240 10.899 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.297 12.194 9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.993 13.653 9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.633 14.535 10.732 1.00 0.00 H new ATOM 850 N ASP A 60 -8.883 7.280 10.970 1.00 0.00 N ATOM 851 CA ASP A 60 -9.181 5.905 11.407 1.00 0.00 C ATOM 852 C ASP A 60 -8.009 5.300 12.195 1.00 0.00 C ATOM 853 O ASP A 60 -8.081 4.168 12.671 1.00 0.00 O ATOM 854 CB ASP A 60 -9.532 5.008 10.207 1.00 0.00 C ATOM 855 CG ASP A 60 -10.189 3.702 10.669 1.00 0.00 C ATOM 856 OD1 ASP A 60 -11.163 3.748 11.455 1.00 0.00 O ATOM 857 OD2 ASP A 60 -9.796 2.606 10.209 1.00 0.00 O ATOM 0 H ASP A 60 -8.518 7.341 10.019 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.046 5.956 12.068 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.206 5.540 9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.629 4.784 9.640 1.00 0.00 H new ATOM 862 N GLY A 61 -6.893 6.032 12.280 1.00 0.00 N ATOM 863 CA GLY A 61 -5.681 5.705 13.016 1.00 0.00 C ATOM 864 C GLY A 61 -4.813 4.666 12.315 1.00 0.00 C ATOM 865 O GLY A 61 -3.609 4.618 12.559 1.00 0.00 O ATOM 0 H GLY A 61 -6.814 6.929 11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.098 6.614 13.166 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.953 5.334 14.004 1.00 0.00 H new ATOM 869 N LYS A 62 -5.412 3.839 11.458 1.00 0.00 N ATOM 870 CA LYS A 62 -4.871 2.544 11.075 1.00 0.00 C ATOM 871 C LYS A 62 -3.910 2.610 9.909 1.00 0.00 C ATOM 872 O LYS A 62 -2.993 1.789 9.854 1.00 0.00 O ATOM 873 CB LYS A 62 -6.053 1.610 10.777 1.00 0.00 C ATOM 874 CG LYS A 62 -6.509 0.969 12.092 1.00 0.00 C ATOM 875 CD LYS A 62 -7.984 0.607 12.062 1.00 0.00 C ATOM 876 CE LYS A 62 -8.374 -0.120 13.344 1.00 0.00 C ATOM 877 NZ LYS A 62 -9.836 -0.250 13.425 1.00 0.00 N ATOM 0 H LYS A 62 -6.300 4.057 11.006 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.274 2.160 11.902 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.872 2.168 10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.758 0.841 10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.919 0.073 12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.320 1.657 12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.585 1.509 11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.193 -0.025 11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.911 -1.107 13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.001 0.427 14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.092 -0.747 14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.269 0.695 13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.182 -0.791 12.607 1.00 0.00 H new ATOM 891 N MET A 63 -4.137 3.491 8.940 1.00 0.00 N ATOM 892 CA MET A 63 -3.228 3.627 7.813 1.00 0.00 C ATOM 893 C MET A 63 -1.933 4.247 8.321 1.00 0.00 C ATOM 894 O MET A 63 -1.982 5.302 8.955 1.00 0.00 O ATOM 895 CB MET A 63 -3.856 4.522 6.751 1.00 0.00 C ATOM 896 CG MET A 63 -3.220 4.333 5.370 1.00 0.00 C ATOM 897 SD MET A 63 -3.831 2.931 4.408 1.00 0.00 S ATOM 898 CE MET A 63 -5.613 3.235 4.498 1.00 0.00 C ATOM 0 H MET A 63 -4.941 4.119 8.914 1.00 0.00 H new ATOM 0 HA MET A 63 -3.026 2.653 7.368 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.923 4.310 6.687 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.755 5.564 7.054 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.377 5.243 4.791 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.144 4.219 5.499 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.111 2.728 3.671 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.000 2.854 5.443 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.803 4.306 4.434 1.00 0.00 H new ATOM 908 N GLU A 64 -0.795 3.630 8.013 1.00 0.00 N ATOM 909 CA GLU A 64 0.526 4.173 8.308 1.00 0.00 C ATOM 910 C GLU A 64 1.368 4.116 7.037 1.00 0.00 C ATOM 911 O GLU A 64 0.980 3.509 6.034 1.00 0.00 O ATOM 912 CB GLU A 64 1.172 3.442 9.495 1.00 0.00 C ATOM 913 CG GLU A 64 0.412 3.783 10.789 1.00 0.00 C ATOM 914 CD GLU A 64 0.867 3.006 12.025 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.949 2.374 12.015 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.105 3.009 13.019 1.00 0.00 O ATOM 0 H GLU A 64 -0.766 2.725 7.544 1.00 0.00 H new ATOM 0 HA GLU A 64 0.448 5.215 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.155 2.366 9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.218 3.733 9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.521 4.849 10.987 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.650 3.595 10.630 1.00 0.00 H new ATOM 923 N THR A 65 2.501 4.813 7.033 1.00 0.00 N ATOM 924 CA THR A 65 3.296 4.958 5.827 1.00 0.00 C ATOM 925 C THR A 65 4.317 3.819 5.775 1.00 0.00 C ATOM 926 O THR A 65 4.868 3.429 6.801 1.00 0.00 O ATOM 927 CB THR A 65 3.935 6.352 5.809 1.00 0.00 C ATOM 928 OG1 THR A 65 2.962 7.366 6.004 1.00 0.00 O ATOM 929 CG2 THR A 65 4.573 6.610 4.452 1.00 0.00 C ATOM 0 H THR A 65 2.885 5.284 7.852 1.00 0.00 H new ATOM 0 HA THR A 65 2.683 4.884 4.929 1.00 0.00 H new ATOM 0 HB THR A 65 4.673 6.379 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.397 8.244 5.990 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.025 7.602 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.341 5.860 4.262 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.811 6.554 3.675 1.00 0.00 H new ATOM 937 N GLY A 66 4.572 3.288 4.577 1.00 0.00 N ATOM 938 CA GLY A 66 5.439 2.138 4.362 1.00 0.00 C ATOM 939 C GLY A 66 4.672 0.820 4.389 1.00 0.00 C ATOM 940 O GLY A 66 5.183 -0.171 3.871 1.00 0.00 O ATOM 0 H GLY A 66 4.171 3.657 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.945 2.242 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.213 2.121 5.129 1.00 0.00 H new ATOM 944 N ASP A 67 3.446 0.813 4.920 1.00 0.00 N ATOM 945 CA ASP A 67 2.617 -0.379 5.072 1.00 0.00 C ATOM 946 C ASP A 67 2.447 -1.072 3.713 1.00 0.00 C ATOM 947 O ASP A 67 2.242 -0.398 2.703 1.00 0.00 O ATOM 948 CB ASP A 67 1.216 0.011 5.556 1.00 0.00 C ATOM 949 CG ASP A 67 1.012 0.364 7.023 1.00 0.00 C ATOM 950 OD1 ASP A 67 1.873 -0.011 7.845 1.00 0.00 O ATOM 951 OD2 ASP A 67 -0.109 0.787 7.391 1.00 0.00 O ATOM 0 H ASP A 67 2.994 1.660 5.264 1.00 0.00 H new ATOM 0 HA ASP A 67 3.104 -1.039 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.890 0.866 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.545 -0.815 5.320 1.00 0.00 H new ATOM 956 N VAL A 68 2.491 -2.405 3.673 1.00 0.00 N ATOM 957 CA VAL A 68 2.441 -3.200 2.440 1.00 0.00 C ATOM 958 C VAL A 68 0.991 -3.591 2.164 1.00 0.00 C ATOM 959 O VAL A 68 0.372 -4.213 3.025 1.00 0.00 O ATOM 960 CB VAL A 68 3.364 -4.433 2.580 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.097 -5.537 1.541 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.830 -4.003 2.430 1.00 0.00 C ATOM 0 H VAL A 68 2.564 -2.977 4.515 1.00 0.00 H new ATOM 0 HA VAL A 68 2.802 -2.620 1.591 1.00 0.00 H new ATOM 0 HB VAL A 68 3.153 -4.845 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.785 -6.366 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.071 -5.891 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.246 -5.137 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.477 -4.875 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.978 -3.551 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.077 -3.277 3.205 1.00 0.00 H new ATOM 972 N ILE A 69 0.455 -3.242 0.990 1.00 0.00 N ATOM 973 CA ILE A 69 -0.845 -3.665 0.495 1.00 0.00 C ATOM 974 C ILE A 69 -0.769 -5.145 0.160 1.00 0.00 C ATOM 975 O ILE A 69 0.005 -5.560 -0.701 1.00 0.00 O ATOM 976 CB ILE A 69 -1.332 -2.807 -0.691 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.507 -1.314 -0.334 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.705 -3.310 -1.174 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.233 -0.476 -0.344 1.00 0.00 C ATOM 0 H ILE A 69 0.942 -2.630 0.335 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.596 -3.513 1.270 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.562 -2.900 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.215 -0.873 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.956 -1.247 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.042 -2.699 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.620 -4.349 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.426 -3.239 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.473 0.554 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.475 -0.881 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.211 -0.501 -1.339 1.00 0.00 H new ATOM 991 N VAL A 70 -1.610 -5.923 0.837 1.00 0.00 N ATOM 992 CA VAL A 70 -1.812 -7.328 0.535 1.00 0.00 C ATOM 993 C VAL A 70 -3.049 -7.499 -0.351 1.00 0.00 C ATOM 994 O VAL A 70 -2.959 -8.105 -1.417 1.00 0.00 O ATOM 995 CB VAL A 70 -1.961 -8.156 1.823 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.752 -9.623 1.468 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.054 -7.762 2.996 1.00 0.00 C ATOM 0 H VAL A 70 -2.174 -5.587 1.618 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.935 -7.693 0.000 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.965 -7.952 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.853 -10.233 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.498 -9.930 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.755 -9.757 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.252 -8.417 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.010 -7.860 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.255 -6.729 3.280 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.213 -7.030 0.103 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.492 -7.238 -0.563 1.00 0.00 C ATOM 1009 C TYR A 71 -6.228 -5.901 -0.590 1.00 0.00 C ATOM 1010 O TYR A 71 -6.030 -5.068 0.303 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.353 -8.297 0.155 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.757 -9.680 0.400 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -5.048 -9.942 1.586 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -6.011 -10.747 -0.481 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -4.585 -11.227 1.896 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -5.518 -12.039 -0.204 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.801 -12.285 0.990 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.328 -13.527 1.290 1.00 0.00 O ATOM 0 H TYR A 71 -4.290 -6.485 0.961 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.311 -7.608 -1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.645 -7.886 1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.267 -8.428 -0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.856 -9.132 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.589 -10.575 -1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.065 -11.406 2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.688 -12.842 -0.905 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.558 -14.148 0.567 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.100 -5.720 -1.581 1.00 0.00 N ATOM 1029 CA ILE A 72 -7.961 -4.549 -1.720 1.00 0.00 C ATOM 1030 C ILE A 72 -9.370 -5.060 -1.949 1.00 0.00 C ATOM 1031 O ILE A 72 -9.608 -5.827 -2.879 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.508 -3.618 -2.870 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.104 -3.061 -2.561 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.529 -2.479 -3.113 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.589 -2.068 -3.604 1.00 0.00 C ATOM 0 H ILE A 72 -7.230 -6.402 -2.328 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.908 -3.941 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.460 -4.198 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.124 -2.572 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.402 -3.892 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.179 -1.844 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.496 -2.907 -3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.631 -1.883 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.596 -1.721 -3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.535 -2.557 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.268 -1.217 -3.663 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.297 -4.552 -1.147 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.723 -4.823 -1.107 1.00 0.00 C ATOM 1049 C ASN A 73 -12.016 -6.288 -0.837 1.00 0.00 C ATOM 1050 O ASN A 73 -12.397 -6.617 0.281 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.445 -4.250 -2.338 1.00 0.00 C ATOM 1052 CG ASN A 73 -13.846 -3.752 -2.011 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -14.199 -3.493 -0.861 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.648 -3.492 -3.024 1.00 0.00 N ATOM 0 H ASN A 73 -10.038 -3.869 -0.435 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.143 -4.290 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.858 -3.429 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.506 -5.017 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.564 -3.075 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.353 -3.708 -3.976 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.796 -7.149 -1.828 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.727 -8.590 -1.644 1.00 0.00 C ATOM 1063 C GLU A 74 -10.935 -9.253 -2.791 1.00 0.00 C ATOM 1064 O GLU A 74 -11.345 -10.297 -3.302 1.00 0.00 O ATOM 1065 CB GLU A 74 -13.148 -9.160 -1.453 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.117 -10.292 -0.420 1.00 0.00 C ATOM 1067 CD GLU A 74 -14.487 -10.946 -0.279 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -14.815 -11.802 -1.132 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -15.229 -10.597 0.667 1.00 0.00 O ATOM 0 H GLU A 74 -11.659 -6.857 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.172 -8.824 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.825 -8.372 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.532 -9.532 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.383 -11.040 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.798 -9.899 0.545 1.00 0.00 H new ATOM 1076 N VAL A 75 -9.834 -8.624 -3.224 1.00 0.00 N ATOM 1077 CA VAL A 75 -8.973 -9.035 -4.336 1.00 0.00 C ATOM 1078 C VAL A 75 -7.530 -9.146 -3.827 1.00 0.00 C ATOM 1079 O VAL A 75 -7.043 -8.225 -3.162 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.066 -8.011 -5.494 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.253 -8.469 -6.715 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.509 -7.758 -5.962 1.00 0.00 C ATOM 0 H VAL A 75 -9.504 -7.767 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.299 -10.003 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.660 -7.086 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.340 -7.727 -7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.205 -8.579 -6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.636 -9.426 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.506 -7.032 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.947 -8.693 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.098 -7.370 -5.131 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.835 -10.242 -4.144 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.404 -10.437 -3.925 1.00 0.00 C ATOM 1094 C CYS A 76 -4.559 -9.601 -4.899 1.00 0.00 C ATOM 1095 O CYS A 76 -4.527 -9.886 -6.098 1.00 0.00 O ATOM 1096 CB CYS A 76 -5.076 -11.936 -4.039 1.00 0.00 C ATOM 1097 SG CYS A 76 -5.722 -12.683 -5.570 1.00 0.00 S ATOM 0 H CYS A 76 -7.277 -11.052 -4.579 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.151 -10.090 -2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.995 -12.071 -4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.493 -12.461 -3.180 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.577 -11.847 -6.555 1.00 0.00 H new ATOM 1103 N VAL A 77 -3.844 -8.586 -4.403 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.105 -7.643 -5.240 1.00 0.00 C ATOM 1105 C VAL A 77 -1.609 -7.558 -4.907 1.00 0.00 C ATOM 1106 O VAL A 77 -0.946 -6.701 -5.477 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.773 -6.251 -5.206 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.229 -6.275 -5.692 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.716 -5.583 -3.826 1.00 0.00 C ATOM 0 H VAL A 77 -3.763 -8.397 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.151 -8.033 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.181 -5.655 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.645 -5.269 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.263 -6.634 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.814 -6.939 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.203 -4.609 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.229 -6.210 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.676 -5.455 -3.527 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.047 -8.376 -4.007 1.00 0.00 N ATOM 1120 CA LEU A 78 0.305 -8.127 -3.483 1.00 0.00 C ATOM 1121 C LEU A 78 1.415 -8.179 -4.549 1.00 0.00 C ATOM 1122 O LEU A 78 2.492 -7.648 -4.294 1.00 0.00 O ATOM 1123 CB LEU A 78 0.571 -9.006 -2.245 1.00 0.00 C ATOM 1124 CG LEU A 78 1.353 -10.316 -2.478 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.848 -10.127 -2.193 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.858 -11.431 -1.548 1.00 0.00 C ATOM 0 H LEU A 78 -1.501 -9.208 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 78 0.339 -7.089 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.118 -8.409 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.389 -9.259 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 78 1.192 -10.587 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.373 -11.067 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.250 -9.360 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.985 -9.820 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.428 -12.341 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.993 -11.126 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.199 -11.619 -1.736 1.00 0.00 H new ATOM 1138 N GLY A 79 1.171 -8.785 -5.716 1.00 0.00 N ATOM 1139 CA GLY A 79 2.067 -8.732 -6.871 1.00 0.00 C ATOM 1140 C GLY A 79 1.441 -8.032 -8.080 1.00 0.00 C ATOM 1141 O GLY A 79 2.033 -8.076 -9.157 1.00 0.00 O ATOM 0 H GLY A 79 0.329 -9.336 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.983 -8.212 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.350 -9.747 -7.151 1.00 0.00 H new ATOM 1145 N HIS A 80 0.231 -7.466 -7.967 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.419 -6.796 -9.098 1.00 0.00 C ATOM 1147 C HIS A 80 0.354 -5.525 -9.468 1.00 0.00 C ATOM 1148 O HIS A 80 1.131 -4.976 -8.681 1.00 0.00 O ATOM 1149 CB HIS A 80 -1.903 -6.478 -8.800 1.00 0.00 C ATOM 1150 CG HIS A 80 -2.937 -7.367 -9.465 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -4.245 -7.010 -9.708 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -2.771 -8.634 -9.961 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -4.856 -8.042 -10.309 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -3.990 -9.049 -10.520 1.00 0.00 N ATOM 0 H HIS A 80 -0.315 -7.460 -7.105 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.405 -7.477 -9.949 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.052 -6.530 -7.722 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.097 -5.448 -9.099 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.675 -6.116 -9.472 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.860 -9.213 -9.928 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.900 -8.061 -10.585 1.00 0.00 H new ATOM 1162 N THR A 81 0.089 -5.023 -10.672 1.00 0.00 N ATOM 1163 CA THR A 81 0.708 -3.815 -11.165 1.00 0.00 C ATOM 1164 C THR A 81 0.134 -2.633 -10.380 1.00 0.00 C ATOM 1165 O THR A 81 -1.068 -2.588 -10.089 1.00 0.00 O ATOM 1166 CB THR A 81 0.475 -3.719 -12.688 1.00 0.00 C ATOM 1167 OG1 THR A 81 -0.900 -3.818 -13.013 1.00 0.00 O ATOM 1168 CG2 THR A 81 1.207 -4.848 -13.426 1.00 0.00 C ATOM 0 H THR A 81 -0.564 -5.451 -11.328 1.00 0.00 H new ATOM 0 HA THR A 81 1.788 -3.813 -11.015 1.00 0.00 H new ATOM 0 HB THR A 81 0.859 -2.747 -12.997 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.012 -3.752 -13.984 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.027 -4.759 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.277 -4.777 -13.230 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.837 -5.812 -13.075 1.00 0.00 H new ATOM 1176 N HIS A 82 0.962 -1.632 -10.071 1.00 0.00 N ATOM 1177 CA HIS A 82 0.462 -0.344 -9.590 1.00 0.00 C ATOM 1178 C HIS A 82 -0.455 0.296 -10.635 1.00 0.00 C ATOM 1179 O HIS A 82 -1.330 1.075 -10.277 1.00 0.00 O ATOM 1180 CB HIS A 82 1.640 0.554 -9.190 1.00 0.00 C ATOM 1181 CG HIS A 82 1.285 1.669 -8.231 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.796 2.946 -8.253 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.445 1.593 -7.152 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.251 3.632 -7.237 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.427 2.844 -6.531 1.00 0.00 N ATOM 0 H HIS A 82 1.978 -1.689 -10.145 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.145 -0.490 -8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.414 -0.065 -8.736 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.069 0.991 -10.092 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.472 3.308 -8.925 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.106 0.720 -6.837 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.448 4.671 -7.019 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.345 -0.062 -11.912 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.339 0.296 -12.906 1.00 0.00 C ATOM 1195 C ALA A 83 -2.734 -0.228 -12.535 1.00 0.00 C ATOM 1196 O ALA A 83 -3.698 0.543 -12.526 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.893 -0.246 -14.259 1.00 0.00 C ATOM 0 H ALA A 83 0.435 -0.606 -12.280 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.419 1.382 -12.951 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.631 0.016 -15.017 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.070 0.189 -14.525 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.799 -1.330 -14.203 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.876 -1.529 -12.286 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.136 -2.179 -11.922 1.00 0.00 C ATOM 1205 C ASP A 84 -4.610 -1.665 -10.559 1.00 0.00 C ATOM 1206 O ASP A 84 -5.725 -1.184 -10.437 1.00 0.00 O ATOM 1207 CB ASP A 84 -3.931 -3.697 -11.919 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.176 -4.465 -11.491 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -5.432 -4.567 -10.271 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.835 -5.088 -12.360 1.00 0.00 O ATOM 0 H ASP A 84 -2.093 -2.181 -12.333 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.911 -1.940 -12.650 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.637 -4.020 -12.917 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.109 -3.946 -11.248 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.765 -1.651 -9.536 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.111 -1.203 -8.191 1.00 0.00 C ATOM 1217 C VAL A 85 -4.547 0.261 -8.165 1.00 0.00 C ATOM 1218 O VAL A 85 -5.553 0.587 -7.527 1.00 0.00 O ATOM 1219 CB VAL A 85 -2.973 -1.581 -7.223 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -2.969 -0.779 -5.915 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.149 -3.068 -6.904 1.00 0.00 C ATOM 0 H VAL A 85 -2.796 -1.958 -9.620 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.999 -1.725 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.023 -1.354 -7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.138 -1.106 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.859 0.282 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.907 -0.943 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.364 -3.388 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.123 -3.228 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.085 -3.648 -7.825 1.00 0.00 H new ATOM 1231 N VAL A 86 -3.891 1.154 -8.899 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.388 2.517 -9.011 1.00 0.00 C ATOM 1233 C VAL A 86 -5.749 2.514 -9.724 1.00 0.00 C ATOM 1234 O VAL A 86 -6.647 3.248 -9.298 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.315 3.413 -9.652 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.863 4.815 -9.935 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.121 3.520 -8.679 1.00 0.00 C ATOM 0 H VAL A 86 -3.032 0.963 -9.415 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.575 2.952 -8.029 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.005 2.971 -10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.082 5.426 -10.388 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.710 4.744 -10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.187 5.274 -9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.350 4.153 -9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.456 3.956 -7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.713 2.526 -8.493 1.00 0.00 H new ATOM 1247 N LYS A 87 -5.966 1.652 -10.729 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.286 1.572 -11.369 1.00 0.00 C ATOM 1249 C LYS A 87 -8.324 1.077 -10.365 1.00 0.00 C ATOM 1250 O LYS A 87 -9.461 1.539 -10.377 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.241 0.758 -12.683 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.785 -0.691 -12.679 1.00 0.00 C ATOM 1253 CD LYS A 87 -9.258 -0.848 -13.054 1.00 0.00 C ATOM 1254 CE LYS A 87 -9.459 -0.692 -14.562 1.00 0.00 C ATOM 1255 NZ LYS A 87 -9.941 0.651 -14.944 1.00 0.00 N ATOM 0 H LYS A 87 -5.264 1.016 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.597 2.571 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.795 1.317 -13.437 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.203 0.720 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.188 -1.285 -13.371 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.635 -1.113 -11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.616 -1.827 -12.735 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.853 -0.103 -12.525 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.516 -0.892 -15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.173 -1.440 -14.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.521 0.580 -15.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.514 1.047 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.128 1.273 -15.126 1.00 0.00 H new ATOM 1269 N LEU A 88 -7.940 0.173 -9.466 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.816 -0.415 -8.471 1.00 0.00 C ATOM 1271 C LEU A 88 -9.262 0.684 -7.520 1.00 0.00 C ATOM 1272 O LEU A 88 -10.451 0.765 -7.216 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.102 -1.551 -7.717 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.057 -2.897 -8.465 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.074 -3.830 -7.748 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.447 -3.542 -8.490 1.00 0.00 C ATOM 0 H LEU A 88 -6.983 -0.176 -9.413 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.688 -0.855 -8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.081 -1.238 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.600 -1.701 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.734 -2.726 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.034 -4.786 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.082 -3.378 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.406 -3.989 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.398 -4.492 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.786 -3.715 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.147 -2.878 -8.997 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.355 1.545 -7.056 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.715 2.665 -6.196 1.00 0.00 C ATOM 1290 C PHE A 89 -9.619 3.661 -6.928 1.00 0.00 C ATOM 1291 O PHE A 89 -10.597 4.137 -6.344 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.457 3.343 -5.651 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.743 2.558 -4.565 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.377 2.361 -3.324 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.444 2.050 -4.766 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.705 1.711 -2.279 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.775 1.394 -3.719 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.391 1.253 -2.466 1.00 0.00 C ATOM 0 H PHE A 89 -7.359 1.484 -7.266 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.284 2.279 -5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.764 3.513 -6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.728 4.322 -5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.387 2.713 -3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.962 2.165 -5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.198 1.563 -1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.783 0.997 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.856 0.794 -1.648 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.337 3.961 -8.200 1.00 0.00 N ATOM 1309 CA GLN A 90 -10.168 4.864 -8.990 1.00 0.00 C ATOM 1310 C GLN A 90 -11.541 4.259 -9.310 1.00 0.00 C ATOM 1311 O GLN A 90 -12.498 5.014 -9.498 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.432 5.274 -10.272 1.00 0.00 C ATOM 1313 CG GLN A 90 -8.217 6.175 -9.985 1.00 0.00 C ATOM 1314 CD GLN A 90 -7.609 6.740 -11.267 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -7.674 6.138 -12.334 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -7.019 7.925 -11.201 1.00 0.00 N ATOM 0 H GLN A 90 -8.533 3.587 -8.704 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.352 5.755 -8.389 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.102 4.380 -10.801 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.122 5.798 -10.933 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.520 6.996 -9.335 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.461 5.604 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.968 8.421 -10.311 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.616 8.341 -12.040 1.00 0.00 H new ATOM 1325 N SER A 91 -11.673 2.926 -9.340 1.00 0.00 N ATOM 1326 CA SER A 91 -12.941 2.263 -9.636 1.00 0.00 C ATOM 1327 C SER A 91 -13.990 2.512 -8.541 1.00 0.00 C ATOM 1328 O SER A 91 -15.183 2.363 -8.803 1.00 0.00 O ATOM 1329 CB SER A 91 -12.731 0.769 -9.939 1.00 0.00 C ATOM 1330 OG SER A 91 -12.426 -0.035 -8.812 1.00 0.00 O ATOM 0 H SER A 91 -10.903 2.282 -9.160 1.00 0.00 H new ATOM 0 HA SER A 91 -13.347 2.711 -10.543 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.633 0.379 -10.411 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.924 0.671 -10.665 1.00 0.00 H new ATOM 0 HG SER A 91 -11.574 0.255 -8.424 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.573 2.936 -7.343 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.443 3.241 -6.213 1.00 0.00 C ATOM 1338 C VAL A 92 -14.921 4.681 -6.410 1.00 0.00 C ATOM 1339 O VAL A 92 -14.073 5.578 -6.418 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.664 3.110 -4.881 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.611 3.111 -3.670 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.804 1.844 -4.833 1.00 0.00 C ATOM 0 H VAL A 92 -12.586 3.080 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.284 2.549 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.010 3.980 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -14.029 3.017 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.174 4.044 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.302 2.272 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.278 1.798 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.442 0.967 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.079 1.865 -5.647 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.222 4.951 -6.610 1.00 0.00 N ATOM 1353 CA PRO A 93 -16.691 6.322 -6.672 1.00 0.00 C ATOM 1354 C PRO A 93 -16.773 6.933 -5.268 1.00 0.00 C ATOM 1355 O PRO A 93 -16.619 6.259 -4.244 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.036 6.254 -7.390 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.573 4.881 -7.022 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.333 4.023 -6.762 1.00 0.00 C ATOM 0 HA PRO A 93 -16.011 6.979 -7.214 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.706 7.048 -7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.920 6.363 -8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.210 4.931 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.178 4.465 -7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.460 3.417 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.155 3.335 -7.589 1.00 0.00 H new ATOM 1366 N ILE A 94 -16.993 8.243 -5.232 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.141 9.020 -4.018 1.00 0.00 C ATOM 1368 C ILE A 94 -18.377 8.506 -3.274 1.00 0.00 C ATOM 1369 O ILE A 94 -19.412 8.198 -3.874 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.178 10.527 -4.371 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -15.845 10.943 -5.043 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -17.433 11.377 -3.117 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -15.827 12.375 -5.588 1.00 0.00 C ATOM 0 H ILE A 94 -17.075 8.807 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.293 8.902 -3.343 1.00 0.00 H new ATOM 0 HB ILE A 94 -17.998 10.700 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.038 10.833 -4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -15.635 10.254 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -17.455 12.432 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -18.390 11.097 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -16.636 11.206 -2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.857 12.580 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -16.609 12.488 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.003 13.077 -4.773 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.252 8.420 -1.954 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.282 7.991 -1.032 1.00 0.00 C ATOM 1387 C GLY A 95 -19.355 6.478 -0.857 1.00 0.00 C ATOM 1388 O GLY A 95 -20.181 6.037 -0.056 1.00 0.00 O ATOM 0 H GLY A 95 -17.382 8.662 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.103 8.452 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.247 8.354 -1.384 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.524 5.683 -1.543 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.474 4.236 -1.322 1.00 0.00 C ATOM 1394 C GLN A 96 -17.280 3.925 -0.431 1.00 0.00 C ATOM 1395 O GLN A 96 -16.466 4.808 -0.161 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.371 3.472 -2.651 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.455 3.822 -3.677 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.885 3.477 -3.282 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -21.211 3.158 -2.142 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.790 3.559 -4.236 1.00 0.00 N ATOM 0 H GLN A 96 -17.877 6.020 -2.256 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.395 3.913 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.394 3.669 -3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.417 2.403 -2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.403 4.892 -3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.223 3.309 -4.610 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.512 3.825 -5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.768 3.357 -4.030 1.00 0.00 H new ATOM 1409 N SER A 97 -17.133 2.684 0.019 1.00 0.00 N ATOM 1410 CA SER A 97 -16.020 2.254 0.815 1.00 0.00 C ATOM 1411 C SER A 97 -15.449 0.962 0.257 1.00 0.00 C ATOM 1412 O SER A 97 -16.136 0.213 -0.445 1.00 0.00 O ATOM 1413 CB SER A 97 -16.509 2.067 2.243 1.00 0.00 C ATOM 1414 OG SER A 97 -17.681 1.276 2.322 1.00 0.00 O ATOM 0 H SER A 97 -17.807 1.942 -0.171 1.00 0.00 H new ATOM 0 HA SER A 97 -15.223 2.998 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.721 1.601 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.704 3.043 2.686 1.00 0.00 H new ATOM 0 HG SER A 97 -17.952 1.185 3.259 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.202 0.695 0.624 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.514 -0.550 0.328 1.00 0.00 C ATOM 1422 C VAL A 98 -12.801 -1.053 1.571 1.00 0.00 C ATOM 1423 O VAL A 98 -12.443 -0.251 2.434 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.549 -0.363 -0.855 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.362 -0.135 -2.127 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.557 0.796 -0.647 1.00 0.00 C ATOM 0 H VAL A 98 -13.629 1.356 1.149 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.242 -1.306 0.033 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.950 -1.270 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.686 -0.001 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.003 -0.997 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.978 0.757 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.904 0.876 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.108 1.728 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.956 0.605 0.242 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.567 -2.360 1.645 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.690 -2.945 2.648 1.00 0.00 C ATOM 1438 C ASN A 99 -10.253 -2.847 2.146 1.00 0.00 C ATOM 1439 O ASN A 99 -10.034 -2.728 0.938 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.052 -4.418 2.870 1.00 0.00 C ATOM 1441 CG ASN A 99 -11.867 -4.752 4.335 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -10.788 -5.123 4.785 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -12.915 -4.578 5.114 1.00 0.00 N ATOM 0 H ASN A 99 -12.982 -3.042 1.010 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.802 -2.411 3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.083 -4.603 2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.420 -5.059 2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.840 -4.753 6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.801 -4.269 4.715 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.267 -2.922 3.034 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.851 -2.984 2.686 1.00 0.00 C ATOM 1452 C LEU A 100 -7.204 -3.870 3.750 1.00 0.00 C ATOM 1453 O LEU A 100 -7.564 -3.757 4.922 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.226 -1.571 2.713 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.834 -0.536 1.739 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.463 0.890 2.144 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.427 -0.742 0.278 1.00 0.00 C ATOM 0 H LEU A 100 -9.434 -2.942 4.040 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.701 -3.382 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.311 -1.178 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.162 -1.663 2.495 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.911 -0.690 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.905 1.595 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.840 1.093 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.379 1.000 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.894 0.024 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.343 -0.669 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.753 -1.727 -0.055 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.246 -4.716 3.375 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.476 -5.555 4.295 1.00 0.00 C ATOM 1471 C VAL A 101 -4.027 -5.175 4.075 1.00 0.00 C ATOM 1472 O VAL A 101 -3.534 -5.344 2.953 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.646 -7.060 4.006 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -5.058 -7.938 5.121 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -7.112 -7.456 3.786 1.00 0.00 C ATOM 0 H VAL A 101 -5.976 -4.841 2.399 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.817 -5.393 5.317 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.092 -7.235 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.203 -8.989 4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.992 -7.732 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.561 -7.716 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.174 -8.526 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.691 -7.219 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.514 -6.905 2.936 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.363 -4.657 5.109 1.00 0.00 N ATOM 1486 CA LEU A 102 -1.938 -4.370 5.047 1.00 0.00 C ATOM 1487 C LEU A 102 -1.168 -5.362 5.926 1.00 0.00 C ATOM 1488 O LEU A 102 -1.759 -6.117 6.707 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.604 -2.886 5.348 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.406 -1.817 4.567 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.756 -0.426 4.543 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.533 -2.100 3.082 1.00 0.00 C ATOM 0 H LEU A 102 -3.797 -4.428 6.003 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.606 -4.513 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.756 -2.713 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.544 -2.729 5.147 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.352 -1.849 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.385 0.260 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.647 -0.058 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.774 -0.491 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.108 -1.305 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.540 -2.146 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.042 -3.053 2.935 1.00 0.00 H new ATOM 1504 N CYS A 103 0.157 -5.370 5.788 1.00 0.00 N ATOM 1505 CA CYS A 103 1.079 -6.133 6.623 1.00 0.00 C ATOM 1506 C CYS A 103 2.052 -5.142 7.266 1.00 0.00 C ATOM 1507 O CYS A 103 2.397 -4.132 6.641 1.00 0.00 O ATOM 1508 CB CYS A 103 1.788 -7.191 5.763 1.00 0.00 C ATOM 1509 SG CYS A 103 2.770 -8.314 6.797 1.00 0.00 S ATOM 0 H CYS A 103 0.632 -4.827 5.067 1.00 0.00 H new ATOM 0 HA CYS A 103 0.560 -6.670 7.417 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.050 -7.761 5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.435 -6.700 5.036 1.00 0.00 H new ATOM 0 HG CYS A 103 2.121 -9.428 6.966 1.00 0.00 H new ATOM 1515 N ARG A 104 2.448 -5.393 8.518 1.00 0.00 N ATOM 1516 CA ARG A 104 3.087 -4.419 9.400 1.00 0.00 C ATOM 1517 C ARG A 104 4.384 -4.948 9.970 1.00 0.00 C ATOM 1518 O ARG A 104 4.383 -6.034 10.546 1.00 0.00 O ATOM 1519 CB ARG A 104 2.120 -4.081 10.536 1.00 0.00 C ATOM 1520 CG ARG A 104 2.554 -2.820 11.295 1.00 0.00 C ATOM 1521 CD ARG A 104 1.363 -2.068 11.888 1.00 0.00 C ATOM 1522 NE ARG A 104 0.620 -1.362 10.842 1.00 0.00 N ATOM 1523 CZ ARG A 104 -0.200 -0.334 11.067 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.693 -0.119 12.280 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.544 0.471 10.078 1.00 0.00 N ATOM 0 H ARG A 104 2.328 -6.307 8.955 1.00 0.00 H new ATOM 0 HA ARG A 104 3.325 -3.527 8.821 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.119 -3.935 10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.064 -4.921 11.228 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.242 -3.097 12.094 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.099 -2.160 10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.703 -2.769 12.399 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.713 -1.356 12.636 1.00 0.00 H new ATOM 0 HE ARG A 104 0.737 -1.677 9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.446 -0.742 13.049 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.319 0.669 12.444 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.183 0.308 9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.171 1.256 10.254 1.00 0.00 H new ATOM 1539 N GLY A 105 5.450 -4.161 9.877 1.00 0.00 N ATOM 1540 CA GLY A 105 6.812 -4.591 10.164 1.00 0.00 C ATOM 1541 C GLY A 105 7.736 -4.245 9.001 1.00 0.00 C ATOM 1542 O GLY A 105 8.944 -4.129 9.193 1.00 0.00 O ATOM 0 H GLY A 105 5.389 -3.183 9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.168 -4.109 11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.830 -5.666 10.344 1.00 0.00 H new ATOM 1546 N TYR A 106 7.180 -4.057 7.803 1.00 0.00 N ATOM 1547 CA TYR A 106 7.894 -3.543 6.650 1.00 0.00 C ATOM 1548 C TYR A 106 8.213 -2.061 6.875 1.00 0.00 C ATOM 1549 O TYR A 106 7.363 -1.338 7.405 1.00 0.00 O ATOM 1550 CB TYR A 106 7.047 -3.750 5.386 1.00 0.00 C ATOM 1551 CG TYR A 106 7.249 -5.124 4.779 1.00 0.00 C ATOM 1552 CD1 TYR A 106 8.454 -5.373 4.104 1.00 0.00 C ATOM 1553 CD2 TYR A 106 6.287 -6.149 4.901 1.00 0.00 C ATOM 1554 CE1 TYR A 106 8.717 -6.635 3.561 1.00 0.00 C ATOM 1555 CE2 TYR A 106 6.559 -7.436 4.391 1.00 0.00 C ATOM 1556 CZ TYR A 106 7.780 -7.679 3.713 1.00 0.00 C ATOM 1557 OH TYR A 106 8.070 -8.910 3.205 1.00 0.00 O ATOM 0 H TYR A 106 6.200 -4.264 7.611 1.00 0.00 H new ATOM 0 HA TYR A 106 8.833 -4.080 6.517 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.994 -3.614 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.304 -2.988 4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 106 9.184 -4.584 4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.342 -5.948 5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 106 9.638 -6.810 3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.840 -8.232 4.517 1.00 0.00 H new ATOM 0 HH TYR A 106 7.635 -9.599 3.749 1.00 0.00 H new ATOM 1567 N PRO A 107 9.416 -1.592 6.507 1.00 0.00 N ATOM 1568 CA PRO A 107 9.706 -0.172 6.427 1.00 0.00 C ATOM 1569 C PRO A 107 9.133 0.425 5.145 1.00 0.00 C ATOM 1570 O PRO A 107 8.633 -0.274 4.262 1.00 0.00 O ATOM 1571 CB PRO A 107 11.231 -0.073 6.420 1.00 0.00 C ATOM 1572 CG PRO A 107 11.665 -1.368 5.733 1.00 0.00 C ATOM 1573 CD PRO A 107 10.569 -2.373 6.083 1.00 0.00 C ATOM 0 HA PRO A 107 9.262 0.377 7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 107 11.574 0.806 5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 107 11.634 0.001 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.752 -1.235 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 107 12.639 -1.701 6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.322 -2.994 5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.897 -3.044 6.877 1.00 0.00 H new ATOM 1581 N LEU A 108 9.319 1.733 4.994 1.00 0.00 N ATOM 1582 CA LEU A 108 9.218 2.381 3.689 1.00 0.00 C ATOM 1583 C LEU A 108 10.229 1.777 2.718 1.00 0.00 C ATOM 1584 O LEU A 108 11.286 1.309 3.160 1.00 0.00 O ATOM 1585 CB LEU A 108 9.516 3.884 3.792 1.00 0.00 C ATOM 1586 CG LEU A 108 8.231 4.707 4.028 1.00 0.00 C ATOM 1587 CD1 LEU A 108 8.200 5.297 5.443 1.00 0.00 C ATOM 1588 CD2 LEU A 108 8.086 5.787 2.958 1.00 0.00 C ATOM 0 H LEU A 108 9.541 2.367 5.761 1.00 0.00 H new ATOM 0 HA LEU A 108 8.200 2.228 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.216 4.061 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.002 4.222 2.877 1.00 0.00 H new ATOM 0 HG LEU A 108 7.374 4.039 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.283 5.871 5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.234 4.490 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.061 5.951 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.175 6.358 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.947 6.455 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.032 5.320 1.975 1.00 0.00 H new ATOM 1600 N PRO A 109 10.005 1.901 1.401 1.00 0.00 N ATOM 1601 CA PRO A 109 11.045 1.630 0.445 1.00 0.00 C ATOM 1602 C PRO A 109 12.121 2.708 0.587 1.00 0.00 C ATOM 1603 O PRO A 109 11.860 3.890 0.852 1.00 0.00 O ATOM 1604 CB PRO A 109 10.379 1.611 -0.931 1.00 0.00 C ATOM 1605 CG PRO A 109 9.151 2.498 -0.755 1.00 0.00 C ATOM 1606 CD PRO A 109 8.849 2.478 0.739 1.00 0.00 C ATOM 0 HA PRO A 109 11.540 0.672 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 109 11.044 1.998 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 109 10.102 0.599 -1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.346 3.512 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.307 2.120 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.658 3.486 1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.955 1.889 0.943 1.00 0.00 H new