USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 601 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 41 CYS SG : rot -160:sc= -6.34! USER MOD Set 1.2: A 51 THR OG1 : rot 80:sc= 0.911 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= -0.0978 USER MOD Single : A 10 THR OG1 : rot -19:sc= 0.777 USER MOD Single : A 16 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -97:sc= 0.581 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.4!) USER MOD Single : A 42 SER OG : rot 61:sc= 0.971 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -136:sc= -0.203! USER MOD Single : A 50 HIS : no HD1:sc= -0.493 K(o=-0.49,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.56) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -147:sc= 1.15 USER MOD Single : A 70 ASN : amide:sc= -0.0303 X(o=-0.03,f=-0.2) USER MOD Single : A 80 MET CE :methyl -129:sc= -0.454 (180deg=-2.39!) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.079 -14.839 -5.036 1.00 0.00 N ATOM 104 CA THR A 10 0.317 -13.413 -4.891 1.00 0.00 C ATOM 105 C THR A 10 0.169 -12.708 -6.241 1.00 0.00 C ATOM 106 O THR A 10 0.446 -13.295 -7.286 1.00 0.00 O ATOM 107 CB THR A 10 1.696 -13.226 -4.256 1.00 0.00 C ATOM 108 OG1 THR A 10 2.488 -14.261 -4.834 1.00 0.00 O ATOM 109 CG2 THR A 10 1.700 -13.546 -2.760 1.00 0.00 C ATOM 0 HA THR A 10 -0.423 -12.953 -4.236 1.00 0.00 H new ATOM 0 HB THR A 10 2.029 -12.200 -4.409 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.902 -14.952 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.702 -13.397 -2.359 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.001 -12.887 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.399 -14.583 -2.609 1.00 0.00 H new ATOM 117 N VAL A 11 -0.267 -11.459 -6.175 1.00 0.00 N ATOM 118 CA VAL A 11 -0.455 -10.668 -7.379 1.00 0.00 C ATOM 119 C VAL A 11 0.618 -9.579 -7.442 1.00 0.00 C ATOM 120 O VAL A 11 1.185 -9.202 -6.418 1.00 0.00 O ATOM 121 CB VAL A 11 -1.878 -10.107 -7.420 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.910 -11.235 -7.493 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.144 -9.197 -6.219 1.00 0.00 C ATOM 0 H VAL A 11 -0.496 -10.975 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.339 -11.291 -8.266 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.975 -9.505 -8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.913 -10.809 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.741 -11.825 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.812 -11.875 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.162 -8.812 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.019 -9.765 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.440 -8.365 -6.230 1.00 0.00 H new ATOM 133 N ARG A 12 0.864 -9.105 -8.654 1.00 0.00 N ATOM 134 CA ARG A 12 1.859 -8.067 -8.864 1.00 0.00 C ATOM 135 C ARG A 12 1.219 -6.683 -8.734 1.00 0.00 C ATOM 136 O ARG A 12 0.426 -6.280 -9.583 1.00 0.00 O ATOM 137 CB ARG A 12 2.506 -8.194 -10.245 1.00 0.00 C ATOM 138 CG ARG A 12 3.667 -9.190 -10.217 1.00 0.00 C ATOM 139 CD ARG A 12 4.147 -9.512 -11.634 1.00 0.00 C ATOM 140 NE ARG A 12 5.226 -10.524 -11.585 1.00 0.00 N ATOM 141 CZ ARG A 12 6.513 -10.239 -11.346 1.00 0.00 C ATOM 142 NH1 ARG A 12 6.890 -8.971 -11.134 1.00 0.00 N ATOM 143 NH2 ARG A 12 7.423 -11.222 -11.320 1.00 0.00 N ATOM 0 H ARG A 12 0.391 -9.421 -9.501 1.00 0.00 H new ATOM 0 HA ARG A 12 2.629 -8.188 -8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.761 -8.519 -10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.866 -7.219 -10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.491 -8.777 -9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.352 -10.107 -9.718 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.316 -9.884 -12.233 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.509 -8.605 -12.119 1.00 0.00 H new ATOM 0 HE ARG A 12 4.974 -11.500 -11.743 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.197 -8.223 -11.155 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.870 -8.754 -10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.136 -12.187 -11.482 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.403 -11.005 -11.138 1.00 0.00 H new ATOM 157 N VAL A 13 1.588 -5.994 -7.664 1.00 0.00 N ATOM 158 CA VAL A 13 1.059 -4.664 -7.412 1.00 0.00 C ATOM 159 C VAL A 13 2.161 -3.629 -7.649 1.00 0.00 C ATOM 160 O VAL A 13 3.340 -3.914 -7.444 1.00 0.00 O ATOM 161 CB VAL A 13 0.468 -4.595 -6.002 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.091 -3.158 -5.636 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.736 -5.529 -5.867 1.00 0.00 C ATOM 0 H VAL A 13 2.247 -6.331 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 13 0.246 -4.438 -8.103 1.00 0.00 H new ATOM 0 HB VAL A 13 1.232 -4.930 -5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.327 -3.137 -4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.980 -2.528 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.649 -2.784 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.137 -5.461 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.505 -5.238 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.425 -6.555 -6.066 1.00 0.00 H new ATOM 173 N VAL A 14 1.737 -2.449 -8.078 1.00 0.00 N ATOM 174 CA VAL A 14 2.672 -1.370 -8.346 1.00 0.00 C ATOM 175 C VAL A 14 2.689 -0.408 -7.156 1.00 0.00 C ATOM 176 O VAL A 14 1.642 0.080 -6.734 1.00 0.00 O ATOM 177 CB VAL A 14 2.315 -0.683 -9.666 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.933 0.715 -9.741 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.742 -1.537 -10.861 1.00 0.00 C ATOM 0 H VAL A 14 0.758 -2.217 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 14 3.683 -1.761 -8.462 1.00 0.00 H new ATOM 0 HB VAL A 14 1.231 -0.572 -9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.664 1.181 -10.689 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.558 1.323 -8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.018 0.638 -9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.477 -1.026 -11.787 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.820 -1.694 -10.829 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.234 -2.500 -10.820 1.00 0.00 H new ATOM 189 N ILE A 15 3.889 -0.165 -6.650 1.00 0.00 N ATOM 190 CA ILE A 15 4.055 0.730 -5.517 1.00 0.00 C ATOM 191 C ILE A 15 4.717 2.026 -5.989 1.00 0.00 C ATOM 192 O ILE A 15 5.941 2.103 -6.082 1.00 0.00 O ATOM 193 CB ILE A 15 4.812 0.029 -4.387 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.156 -1.308 -4.034 1.00 0.00 C ATOM 195 CG2 ILE A 15 4.945 0.942 -3.167 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.816 -1.090 -3.326 1.00 0.00 C ATOM 0 H ILE A 15 4.755 -0.572 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 15 3.085 1.001 -5.100 1.00 0.00 H new ATOM 0 HB ILE A 15 5.821 -0.190 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.002 -1.892 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.821 -1.886 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.487 0.419 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.490 1.844 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.953 1.214 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.370 -2.055 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.977 -0.526 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.145 -0.533 -3.980 1.00 0.00 H new ATOM 208 N ASN A 16 3.879 3.011 -6.275 1.00 0.00 N ATOM 209 CA ASN A 16 4.368 4.300 -6.735 1.00 0.00 C ATOM 210 C ASN A 16 4.805 5.134 -5.530 1.00 0.00 C ATOM 211 O ASN A 16 4.039 5.317 -4.585 1.00 0.00 O ATOM 212 CB ASN A 16 3.273 5.072 -7.473 1.00 0.00 C ATOM 213 CG ASN A 16 3.089 4.539 -8.895 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.905 4.752 -9.777 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.974 3.835 -9.069 1.00 0.00 N ATOM 0 H ASN A 16 2.864 2.943 -6.197 1.00 0.00 H new ATOM 0 HA ASN A 16 5.203 4.122 -7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.334 4.990 -6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.530 6.131 -7.508 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.760 3.436 -9.983 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.333 3.694 -8.288 1.00 0.00 H new ATOM 222 N PHE A 17 6.036 5.620 -5.602 1.00 0.00 N ATOM 223 CA PHE A 17 6.585 6.431 -4.529 1.00 0.00 C ATOM 224 C PHE A 17 7.497 7.528 -5.081 1.00 0.00 C ATOM 225 O PHE A 17 8.082 7.372 -6.152 1.00 0.00 O ATOM 226 CB PHE A 17 7.410 5.498 -3.640 1.00 0.00 C ATOM 227 CG PHE A 17 8.701 4.998 -4.291 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.845 5.725 -4.178 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.704 3.828 -4.984 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.043 5.261 -4.783 1.00 0.00 C ATOM 231 CE2 PHE A 17 9.903 3.364 -5.589 1.00 0.00 C ATOM 232 CZ PHE A 17 11.047 4.091 -5.475 1.00 0.00 C ATOM 0 H PHE A 17 6.669 5.467 -6.387 1.00 0.00 H new ATOM 0 HA PHE A 17 5.778 6.912 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.660 6.020 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.798 4.639 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.842 6.655 -3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.795 3.252 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.952 5.838 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.906 2.435 -6.139 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.959 3.739 -5.934 1.00 0.00 H new ATOM 242 N LYS A 18 7.590 8.612 -4.326 1.00 0.00 N ATOM 243 CA LYS A 18 8.421 9.735 -4.727 1.00 0.00 C ATOM 244 C LYS A 18 7.816 10.393 -5.969 1.00 0.00 C ATOM 245 O LYS A 18 8.472 11.194 -6.633 1.00 0.00 O ATOM 246 CB LYS A 18 9.872 9.287 -4.913 1.00 0.00 C ATOM 247 CG LYS A 18 10.654 9.405 -3.604 1.00 0.00 C ATOM 248 CD LYS A 18 12.134 9.684 -3.873 1.00 0.00 C ATOM 249 CE LYS A 18 13.012 9.112 -2.757 1.00 0.00 C ATOM 250 NZ LYS A 18 13.882 10.166 -2.190 1.00 0.00 N ATOM 0 H LYS A 18 7.104 8.737 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 18 8.443 10.492 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.896 8.255 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.349 9.895 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.234 10.206 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.552 8.483 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.423 9.246 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.296 10.759 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.384 8.690 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.624 8.299 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.471 9.761 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.494 10.550 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.293 10.929 -1.799 1.00 0.00 H new ATOM 264 N LYS A 19 6.572 10.032 -6.244 1.00 0.00 N ATOM 265 CA LYS A 19 5.871 10.578 -7.394 1.00 0.00 C ATOM 266 C LYS A 19 6.809 10.580 -8.604 1.00 0.00 C ATOM 267 O LYS A 19 6.698 11.437 -9.478 1.00 0.00 O ATOM 268 CB LYS A 19 5.290 11.954 -7.064 1.00 0.00 C ATOM 269 CG LYS A 19 3.875 11.830 -6.497 1.00 0.00 C ATOM 270 CD LYS A 19 3.395 13.165 -5.924 1.00 0.00 C ATOM 271 CE LYS A 19 1.928 13.419 -6.279 1.00 0.00 C ATOM 272 NZ LYS A 19 1.045 12.977 -5.177 1.00 0.00 N ATOM 0 H LYS A 19 6.031 9.368 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 19 5.017 9.951 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.932 12.460 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.273 12.570 -7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.193 11.500 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.857 11.068 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.516 13.164 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.012 13.975 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.773 14.480 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.672 12.886 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.053 13.156 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.181 11.960 -5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.279 13.504 -4.312 1.00 0.00 H new ATOM 286 N THR A 20 7.711 9.609 -8.614 1.00 0.00 N ATOM 287 CA THR A 20 8.667 9.489 -9.701 1.00 0.00 C ATOM 288 C THR A 20 9.088 8.029 -9.882 1.00 0.00 C ATOM 289 O THR A 20 9.018 7.490 -10.985 1.00 0.00 O ATOM 290 CB THR A 20 9.839 10.427 -9.407 1.00 0.00 C ATOM 291 OG1 THR A 20 10.141 10.186 -8.035 1.00 0.00 O ATOM 292 CG2 THR A 20 9.433 11.901 -9.446 1.00 0.00 C ATOM 0 H THR A 20 7.800 8.899 -7.887 1.00 0.00 H new ATOM 0 HA THR A 20 8.224 9.787 -10.651 1.00 0.00 H new ATOM 0 HB THR A 20 10.635 10.251 -10.130 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.709 10.869 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.302 12.523 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.047 12.146 -10.436 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.660 12.085 -8.700 1.00 0.00 H new ATOM 300 N GLN A 21 9.517 7.430 -8.780 1.00 0.00 N ATOM 301 CA GLN A 21 9.949 6.043 -8.803 1.00 0.00 C ATOM 302 C GLN A 21 8.795 5.120 -8.404 1.00 0.00 C ATOM 303 O GLN A 21 7.888 5.531 -7.682 1.00 0.00 O ATOM 304 CB GLN A 21 11.160 5.831 -7.892 1.00 0.00 C ATOM 305 CG GLN A 21 12.421 6.442 -8.505 1.00 0.00 C ATOM 306 CD GLN A 21 13.642 6.183 -7.620 1.00 0.00 C ATOM 307 OE1 GLN A 21 14.057 7.015 -6.830 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.192 4.985 -7.795 1.00 0.00 N ATOM 0 H GLN A 21 9.574 7.880 -7.866 1.00 0.00 H new ATOM 0 HA GLN A 21 10.252 5.794 -9.820 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.970 6.282 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.312 4.765 -7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.589 6.020 -9.496 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.283 7.515 -8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.794 4.335 -8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.011 4.716 -7.251 1.00 0.00 H new ATOM 317 N LYS A 22 8.866 3.891 -8.893 1.00 0.00 N ATOM 318 CA LYS A 22 7.839 2.907 -8.597 1.00 0.00 C ATOM 319 C LYS A 22 8.452 1.506 -8.640 1.00 0.00 C ATOM 320 O LYS A 22 9.435 1.277 -9.343 1.00 0.00 O ATOM 321 CB LYS A 22 6.642 3.084 -9.534 1.00 0.00 C ATOM 322 CG LYS A 22 7.070 2.962 -10.998 1.00 0.00 C ATOM 323 CD LYS A 22 6.115 2.052 -11.774 1.00 0.00 C ATOM 324 CE LYS A 22 6.120 2.397 -13.265 1.00 0.00 C ATOM 325 NZ LYS A 22 6.724 1.297 -14.050 1.00 0.00 N ATOM 0 H LYS A 22 9.619 3.554 -9.493 1.00 0.00 H new ATOM 0 HA LYS A 22 7.450 3.054 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.885 2.333 -9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.184 4.059 -9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.091 3.950 -11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.083 2.563 -11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.407 1.011 -11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.105 2.155 -11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.101 2.578 -13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.679 3.318 -13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.719 1.548 -15.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.703 1.143 -13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.174 0.426 -13.907 1.00 0.00 H new ATOM 339 N THR A 23 7.847 0.606 -7.880 1.00 0.00 N ATOM 340 CA THR A 23 8.321 -0.766 -7.822 1.00 0.00 C ATOM 341 C THR A 23 7.140 -1.738 -7.795 1.00 0.00 C ATOM 342 O THR A 23 6.013 -1.343 -7.501 1.00 0.00 O ATOM 343 CB THR A 23 9.244 -0.897 -6.609 1.00 0.00 C ATOM 344 OG1 THR A 23 9.635 -2.267 -6.616 1.00 0.00 O ATOM 345 CG2 THR A 23 8.497 -0.729 -5.284 1.00 0.00 C ATOM 0 H THR A 23 7.032 0.800 -7.299 1.00 0.00 H new ATOM 0 HA THR A 23 8.893 -1.024 -8.713 1.00 0.00 H new ATOM 0 HB THR A 23 10.038 -0.153 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.237 -2.439 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.198 -0.831 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.035 0.258 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.725 -1.494 -5.202 1.00 0.00 H new ATOM 353 N ILE A 24 7.439 -2.991 -8.106 1.00 0.00 N ATOM 354 CA ILE A 24 6.416 -4.023 -8.121 1.00 0.00 C ATOM 355 C ILE A 24 6.765 -5.096 -7.087 1.00 0.00 C ATOM 356 O ILE A 24 7.933 -5.438 -6.913 1.00 0.00 O ATOM 357 CB ILE A 24 6.228 -4.571 -9.537 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.570 -3.530 -10.445 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.450 -5.888 -9.516 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.893 -4.198 -11.643 1.00 0.00 C ATOM 0 H ILE A 24 8.375 -3.315 -8.350 1.00 0.00 H new ATOM 0 HA ILE A 24 5.450 -3.606 -7.835 1.00 0.00 H new ATOM 0 HB ILE A 24 7.212 -4.785 -9.954 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.834 -2.960 -9.878 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.320 -2.821 -10.795 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.330 -6.256 -10.535 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.996 -6.624 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.468 -5.724 -9.072 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.433 -3.436 -12.272 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.636 -4.747 -12.222 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.127 -4.888 -11.290 1.00 0.00 H new ATOM 372 N VAL A 25 5.730 -5.596 -6.428 1.00 0.00 N ATOM 373 CA VAL A 25 5.912 -6.623 -5.417 1.00 0.00 C ATOM 374 C VAL A 25 4.788 -7.654 -5.535 1.00 0.00 C ATOM 375 O VAL A 25 3.707 -7.345 -6.033 1.00 0.00 O ATOM 376 CB VAL A 25 5.993 -5.983 -4.030 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.142 -4.974 -3.958 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.664 -5.328 -3.650 1.00 0.00 C ATOM 0 H VAL A 25 4.762 -5.309 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 25 6.854 -7.150 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 25 6.195 -6.774 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.178 -4.534 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.085 -5.481 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.983 -4.188 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.749 -4.881 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.418 -4.555 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.876 -6.081 -3.641 1.00 0.00 H new ATOM 388 N ARG A 26 5.082 -8.858 -5.067 1.00 0.00 N ATOM 389 CA ARG A 26 4.109 -9.937 -5.114 1.00 0.00 C ATOM 390 C ARG A 26 3.617 -10.269 -3.704 1.00 0.00 C ATOM 391 O ARG A 26 4.357 -10.836 -2.901 1.00 0.00 O ATOM 392 CB ARG A 26 4.710 -11.194 -5.746 1.00 0.00 C ATOM 393 CG ARG A 26 3.977 -11.564 -7.036 1.00 0.00 C ATOM 394 CD ARG A 26 4.958 -12.047 -8.106 1.00 0.00 C ATOM 395 NE ARG A 26 4.341 -13.127 -8.908 1.00 0.00 N ATOM 396 CZ ARG A 26 4.087 -14.358 -8.441 1.00 0.00 C ATOM 397 NH1 ARG A 26 4.395 -14.671 -7.175 1.00 0.00 N ATOM 398 NH2 ARG A 26 3.525 -15.274 -9.241 1.00 0.00 N ATOM 0 H ARG A 26 5.980 -9.111 -4.654 1.00 0.00 H new ATOM 0 HA ARG A 26 3.271 -9.602 -5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.766 -11.029 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.653 -12.023 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.244 -12.344 -6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.426 -10.699 -7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.240 -11.217 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.872 -12.409 -7.636 1.00 0.00 H new ATOM 0 HE ARG A 26 4.094 -12.922 -9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.823 -13.973 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.202 -15.607 -6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.291 -15.035 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.331 -16.211 -8.887 1.00 0.00 H new ATOM 412 N VAL A 27 2.370 -9.901 -3.445 1.00 0.00 N ATOM 413 CA VAL A 27 1.770 -10.153 -2.146 1.00 0.00 C ATOM 414 C VAL A 27 0.320 -10.601 -2.337 1.00 0.00 C ATOM 415 O VAL A 27 -0.213 -10.536 -3.444 1.00 0.00 O ATOM 416 CB VAL A 27 1.901 -8.912 -1.260 1.00 0.00 C ATOM 417 CG1 VAL A 27 3.343 -8.729 -0.783 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.401 -7.663 -1.988 1.00 0.00 C ATOM 0 H VAL A 27 1.759 -9.430 -4.113 1.00 0.00 H new ATOM 0 HA VAL A 27 2.294 -10.959 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 27 1.274 -9.060 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.409 -7.840 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.650 -9.603 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.000 -8.613 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.505 -6.796 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.989 -7.510 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.352 -7.793 -2.254 1.00 0.00 H new ATOM 428 N SER A 28 -0.278 -11.045 -1.241 1.00 0.00 N ATOM 429 CA SER A 28 -1.656 -11.503 -1.274 1.00 0.00 C ATOM 430 C SER A 28 -2.604 -10.305 -1.364 1.00 0.00 C ATOM 431 O SER A 28 -2.490 -9.359 -0.587 1.00 0.00 O ATOM 432 CB SER A 28 -1.985 -12.348 -0.042 1.00 0.00 C ATOM 433 OG SER A 28 -2.484 -13.636 -0.396 1.00 0.00 O ATOM 0 H SER A 28 0.167 -11.097 -0.325 1.00 0.00 H new ATOM 0 HA SER A 28 -1.787 -12.129 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.090 -12.461 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.724 -11.828 0.568 1.00 0.00 H new ATOM 0 HG SER A 28 -2.681 -14.146 0.418 1.00 0.00 H new ATOM 439 N PRO A 29 -3.542 -10.388 -2.346 1.00 0.00 N ATOM 440 CA PRO A 29 -4.509 -9.322 -2.548 1.00 0.00 C ATOM 441 C PRO A 29 -5.590 -9.349 -1.465 1.00 0.00 C ATOM 442 O PRO A 29 -6.310 -8.370 -1.277 1.00 0.00 O ATOM 443 CB PRO A 29 -5.062 -9.552 -3.945 1.00 0.00 C ATOM 444 CG PRO A 29 -4.732 -10.995 -4.291 1.00 0.00 C ATOM 445 CD PRO A 29 -3.707 -11.493 -3.285 1.00 0.00 C ATOM 0 HA PRO A 29 -4.064 -8.330 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.138 -9.380 -3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.611 -8.866 -4.662 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.631 -11.611 -4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.337 -11.064 -5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.054 -12.394 -2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.764 -11.744 -3.771 1.00 0.00 H new ATOM 453 N HIS A 30 -5.668 -10.481 -0.780 1.00 0.00 N ATOM 454 CA HIS A 30 -6.648 -10.649 0.279 1.00 0.00 C ATOM 455 C HIS A 30 -6.267 -9.773 1.474 1.00 0.00 C ATOM 456 O HIS A 30 -7.017 -8.876 1.855 1.00 0.00 O ATOM 457 CB HIS A 30 -6.800 -12.125 0.650 1.00 0.00 C ATOM 458 CG HIS A 30 -7.641 -12.919 -0.321 1.00 0.00 C ATOM 459 ND1 HIS A 30 -9.020 -12.819 -0.374 1.00 0.00 N ATOM 460 CD2 HIS A 30 -7.284 -13.827 -1.274 1.00 0.00 C ATOM 461 CE1 HIS A 30 -9.462 -13.634 -1.321 1.00 0.00 C ATOM 462 NE2 HIS A 30 -8.385 -14.258 -1.877 1.00 0.00 N ATOM 0 H HIS A 30 -5.068 -11.291 -0.938 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.627 -10.320 -0.071 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.810 -12.577 0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.245 -12.196 1.642 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.276 -14.142 -1.500 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.495 -13.778 -1.603 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.420 -14.943 -2.632 1.00 0.00 H new ATOM 470 N ALA A 31 -5.101 -10.064 2.033 1.00 0.00 N ATOM 471 CA ALA A 31 -4.611 -9.315 3.177 1.00 0.00 C ATOM 472 C ALA A 31 -4.926 -7.830 2.981 1.00 0.00 C ATOM 473 O ALA A 31 -4.808 -7.308 1.874 1.00 0.00 O ATOM 474 CB ALA A 31 -3.114 -9.575 3.355 1.00 0.00 C ATOM 0 H ALA A 31 -4.481 -10.809 1.714 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.109 -9.640 4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.747 -9.013 4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.947 -10.639 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.581 -9.258 2.459 1.00 0.00 H new ATOM 480 N SER A 32 -5.320 -7.192 4.074 1.00 0.00 N ATOM 481 CA SER A 32 -5.652 -5.778 4.036 1.00 0.00 C ATOM 482 C SER A 32 -4.372 -4.941 3.994 1.00 0.00 C ATOM 483 O SER A 32 -3.335 -5.360 4.506 1.00 0.00 O ATOM 484 CB SER A 32 -6.507 -5.381 5.241 1.00 0.00 C ATOM 485 OG SER A 32 -7.365 -6.439 5.658 1.00 0.00 O ATOM 0 H SER A 32 -5.417 -7.628 4.991 1.00 0.00 H new ATOM 0 HA SER A 32 -6.233 -5.587 3.134 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.857 -5.094 6.068 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.106 -4.506 4.988 1.00 0.00 H new ATOM 0 HG SER A 32 -7.893 -6.147 6.430 1.00 0.00 H new ATOM 491 N LEU A 33 -4.487 -3.773 3.381 1.00 0.00 N ATOM 492 CA LEU A 33 -3.352 -2.873 3.266 1.00 0.00 C ATOM 493 C LEU A 33 -2.720 -2.677 4.646 1.00 0.00 C ATOM 494 O LEU A 33 -1.517 -2.444 4.754 1.00 0.00 O ATOM 495 CB LEU A 33 -3.771 -1.565 2.590 1.00 0.00 C ATOM 496 CG LEU A 33 -4.012 -1.638 1.081 1.00 0.00 C ATOM 497 CD1 LEU A 33 -4.762 -0.400 0.586 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.699 -1.853 0.326 1.00 0.00 C ATOM 0 H LEU A 33 -5.349 -3.428 2.958 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.586 -3.306 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.684 -1.209 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.000 -0.818 2.779 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.645 -2.501 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.921 -0.477 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.726 -0.332 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.175 0.492 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.899 -1.901 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.021 -1.025 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.240 -2.787 0.652 1.00 0.00 H new ATOM 510 N GLN A 34 -3.560 -2.779 5.665 1.00 0.00 N ATOM 511 CA GLN A 34 -3.098 -2.616 7.034 1.00 0.00 C ATOM 512 C GLN A 34 -1.979 -3.613 7.339 1.00 0.00 C ATOM 513 O GLN A 34 -1.053 -3.303 8.087 1.00 0.00 O ATOM 514 CB GLN A 34 -4.254 -2.770 8.024 1.00 0.00 C ATOM 515 CG GLN A 34 -3.737 -3.118 9.421 1.00 0.00 C ATOM 516 CD GLN A 34 -4.836 -2.944 10.472 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.805 -2.229 10.281 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.631 -3.637 11.588 1.00 0.00 N ATOM 0 H GLN A 34 -4.557 -2.972 5.571 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.699 -1.608 7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.828 -1.844 8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.932 -3.550 7.678 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.377 -4.147 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.888 -2.480 9.668 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.797 -4.217 11.682 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.308 -3.589 12.350 1.00 0.00 H new ATOM 527 N GLU A 35 -2.100 -4.791 6.743 1.00 0.00 N ATOM 528 CA GLU A 35 -1.110 -5.835 6.942 1.00 0.00 C ATOM 529 C GLU A 35 -0.038 -5.765 5.851 1.00 0.00 C ATOM 530 O GLU A 35 1.088 -6.216 6.053 1.00 0.00 O ATOM 531 CB GLU A 35 -1.768 -7.216 6.976 1.00 0.00 C ATOM 532 CG GLU A 35 -1.855 -7.746 8.408 1.00 0.00 C ATOM 533 CD GLU A 35 -0.475 -7.775 9.067 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.370 -8.557 8.580 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.296 -7.015 10.043 1.00 0.00 O ATOM 0 H GLU A 35 -2.869 -5.045 6.122 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.630 -5.674 7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.767 -7.157 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.196 -7.911 6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.528 -7.118 8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.281 -8.749 8.403 1.00 0.00 H new ATOM 542 N LEU A 36 -0.427 -5.196 4.720 1.00 0.00 N ATOM 543 CA LEU A 36 0.486 -5.061 3.598 1.00 0.00 C ATOM 544 C LEU A 36 1.139 -3.678 3.640 1.00 0.00 C ATOM 545 O LEU A 36 1.806 -3.273 2.689 1.00 0.00 O ATOM 546 CB LEU A 36 -0.235 -5.360 2.282 1.00 0.00 C ATOM 547 CG LEU A 36 -0.795 -6.776 2.130 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.639 -6.899 0.860 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.326 -7.817 2.176 1.00 0.00 C ATOM 0 H LEU A 36 -1.362 -4.823 4.556 1.00 0.00 H new ATOM 0 HA LEU A 36 1.288 -5.795 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.057 -4.652 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.458 -5.175 1.461 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.454 -6.975 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.025 -7.915 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.472 -6.197 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.023 -6.672 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.099 -8.815 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.029 -7.631 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.847 -7.748 3.131 1.00 0.00 H new ATOM 561 N ALA A 37 0.924 -2.992 4.753 1.00 0.00 N ATOM 562 CA ALA A 37 1.484 -1.663 4.932 1.00 0.00 C ATOM 563 C ALA A 37 3.008 -1.765 5.027 1.00 0.00 C ATOM 564 O ALA A 37 3.726 -1.056 4.323 1.00 0.00 O ATOM 565 CB ALA A 37 0.865 -1.011 6.170 1.00 0.00 C ATOM 0 H ALA A 37 0.370 -3.331 5.539 1.00 0.00 H new ATOM 0 HA ALA A 37 1.249 -1.029 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.285 -0.014 6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.215 -0.936 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.083 -1.618 7.049 1.00 0.00 H new ATOM 571 N PRO A 38 3.468 -2.675 5.926 1.00 0.00 N ATOM 572 CA PRO A 38 4.894 -2.878 6.122 1.00 0.00 C ATOM 573 C PRO A 38 5.500 -3.668 4.960 1.00 0.00 C ATOM 574 O PRO A 38 6.574 -3.328 4.467 1.00 0.00 O ATOM 575 CB PRO A 38 5.009 -3.600 7.455 1.00 0.00 C ATOM 576 CG PRO A 38 3.633 -4.185 7.732 1.00 0.00 C ATOM 577 CD PRO A 38 2.648 -3.531 6.777 1.00 0.00 C ATOM 0 HA PRO A 38 5.453 -1.943 6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.765 -4.384 7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.308 -2.913 8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.642 -5.266 7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.341 -4.002 8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.112 -4.276 6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.899 -2.952 7.317 1.00 0.00 H new ATOM 585 N ILE A 39 4.784 -4.708 4.557 1.00 0.00 N ATOM 586 CA ILE A 39 5.238 -5.549 3.462 1.00 0.00 C ATOM 587 C ILE A 39 5.506 -4.678 2.233 1.00 0.00 C ATOM 588 O ILE A 39 6.374 -4.995 1.421 1.00 0.00 O ATOM 589 CB ILE A 39 4.241 -6.681 3.207 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.307 -7.730 4.319 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.453 -7.298 1.824 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.928 -7.957 4.942 1.00 0.00 C ATOM 0 H ILE A 39 3.894 -4.987 4.969 1.00 0.00 H new ATOM 0 HA ILE A 39 6.179 -6.035 3.720 1.00 0.00 H new ATOM 0 HB ILE A 39 3.236 -6.260 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.687 -8.669 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.008 -7.406 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.731 -8.100 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.316 -6.533 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.463 -7.701 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.003 -8.707 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.562 -7.022 5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.235 -8.304 4.175 1.00 0.00 H new ATOM 604 N ILE A 40 4.745 -3.598 2.135 1.00 0.00 N ATOM 605 CA ILE A 40 4.890 -2.679 1.019 1.00 0.00 C ATOM 606 C ILE A 40 5.944 -1.626 1.364 1.00 0.00 C ATOM 607 O ILE A 40 6.983 -1.544 0.711 1.00 0.00 O ATOM 608 CB ILE A 40 3.533 -2.088 0.632 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.683 -3.112 -0.122 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.706 -0.791 -0.162 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.222 -2.662 -0.199 1.00 0.00 C ATOM 0 H ILE A 40 4.026 -3.339 2.810 1.00 0.00 H new ATOM 0 HA ILE A 40 5.245 -3.207 0.134 1.00 0.00 H new ATOM 0 HB ILE A 40 2.997 -1.837 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.079 -3.248 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.744 -4.079 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.726 -0.392 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.244 -0.062 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.271 -0.994 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.640 -3.408 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.822 -2.550 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.163 -1.707 -0.721 1.00 0.00 H new ATOM 623 N CYS A 41 5.640 -0.845 2.391 1.00 0.00 N ATOM 624 CA CYS A 41 6.549 0.200 2.831 1.00 0.00 C ATOM 625 C CYS A 41 7.961 -0.386 2.894 1.00 0.00 C ATOM 626 O CYS A 41 8.912 0.225 2.410 1.00 0.00 O ATOM 627 CB CYS A 41 6.118 0.795 4.173 1.00 0.00 C ATOM 628 SG CYS A 41 5.065 2.266 3.896 1.00 0.00 S ATOM 0 H CYS A 41 4.777 -0.915 2.931 1.00 0.00 H new ATOM 0 HA CYS A 41 6.531 1.025 2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.572 0.050 4.752 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.996 1.071 4.757 1.00 0.00 H new ATOM 0 HG CYS A 41 5.050 2.998 4.970 1.00 0.00 H new ATOM 634 N SER A 42 8.052 -1.564 3.494 1.00 0.00 N ATOM 635 CA SER A 42 9.332 -2.239 3.626 1.00 0.00 C ATOM 636 C SER A 42 9.985 -2.397 2.251 1.00 0.00 C ATOM 637 O SER A 42 11.173 -2.123 2.089 1.00 0.00 O ATOM 638 CB SER A 42 9.168 -3.605 4.296 1.00 0.00 C ATOM 639 OG SER A 42 8.691 -3.489 5.634 1.00 0.00 O ATOM 0 H SER A 42 7.261 -2.068 3.894 1.00 0.00 H new ATOM 0 HA SER A 42 9.976 -1.629 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.474 -4.213 3.715 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.125 -4.126 4.296 1.00 0.00 H new ATOM 0 HG SER A 42 7.816 -3.049 5.632 1.00 0.00 H new ATOM 645 N LYS A 43 9.179 -2.839 1.296 1.00 0.00 N ATOM 646 CA LYS A 43 9.663 -3.037 -0.059 1.00 0.00 C ATOM 647 C LYS A 43 10.241 -1.722 -0.587 1.00 0.00 C ATOM 648 O LYS A 43 11.152 -1.728 -1.413 1.00 0.00 O ATOM 649 CB LYS A 43 8.560 -3.623 -0.942 1.00 0.00 C ATOM 650 CG LYS A 43 8.297 -5.089 -0.591 1.00 0.00 C ATOM 651 CD LYS A 43 9.174 -6.019 -1.431 1.00 0.00 C ATOM 652 CE LYS A 43 8.874 -7.487 -1.119 1.00 0.00 C ATOM 653 NZ LYS A 43 9.998 -8.349 -1.546 1.00 0.00 N ATOM 0 H LYS A 43 8.194 -3.065 1.435 1.00 0.00 H new ATOM 0 HA LYS A 43 10.471 -3.768 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.644 -3.046 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.847 -3.542 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.495 -5.254 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.246 -5.324 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.004 -5.827 -2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.225 -5.809 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.700 -7.609 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.960 -7.793 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.777 -9.341 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.145 -8.245 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.863 -8.067 -1.042 1.00 0.00 H new ATOM 667 N CYS A 44 9.686 -0.627 -0.088 1.00 0.00 N ATOM 668 CA CYS A 44 10.135 0.692 -0.499 1.00 0.00 C ATOM 669 C CYS A 44 10.866 1.340 0.678 1.00 0.00 C ATOM 670 O CYS A 44 10.984 2.562 0.744 1.00 0.00 O ATOM 671 CB CYS A 44 8.972 1.556 -0.993 1.00 0.00 C ATOM 672 SG CYS A 44 9.025 1.692 -2.817 1.00 0.00 S ATOM 0 H CYS A 44 8.930 -0.626 0.597 1.00 0.00 H new ATOM 0 HA CYS A 44 10.819 0.599 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.024 1.118 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.029 2.548 -0.544 1.00 0.00 H new ATOM 0 HG CYS A 44 8.809 2.925 -3.167 1.00 0.00 H new ATOM 678 N GLU A 45 11.339 0.490 1.579 1.00 0.00 N ATOM 679 CA GLU A 45 12.056 0.964 2.751 1.00 0.00 C ATOM 680 C GLU A 45 11.404 2.237 3.293 1.00 0.00 C ATOM 681 O GLU A 45 12.090 3.122 3.803 1.00 0.00 O ATOM 682 CB GLU A 45 13.534 1.199 2.431 1.00 0.00 C ATOM 683 CG GLU A 45 14.292 -0.127 2.341 1.00 0.00 C ATOM 684 CD GLU A 45 15.670 0.072 1.706 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.401 0.957 2.201 1.00 0.00 O ATOM 686 OE2 GLU A 45 15.961 -0.666 0.740 1.00 0.00 O ATOM 0 H GLU A 45 11.240 -0.523 1.521 1.00 0.00 H new ATOM 0 HA GLU A 45 12.002 0.195 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.625 1.739 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.982 1.826 3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.405 -0.554 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.716 -0.840 1.752 1.00 0.00 H new ATOM 693 N PHE A 46 10.086 2.290 3.165 1.00 0.00 N ATOM 694 CA PHE A 46 9.333 3.440 3.636 1.00 0.00 C ATOM 695 C PHE A 46 8.981 3.295 5.118 1.00 0.00 C ATOM 696 O PHE A 46 9.143 2.221 5.696 1.00 0.00 O ATOM 697 CB PHE A 46 8.040 3.493 2.820 1.00 0.00 C ATOM 698 CG PHE A 46 8.055 4.534 1.699 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.235 4.910 1.135 1.00 0.00 C ATOM 700 CD2 PHE A 46 6.889 5.085 1.266 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.248 5.876 0.094 1.00 0.00 C ATOM 702 CE2 PHE A 46 6.903 6.051 0.226 1.00 0.00 C ATOM 703 CZ PHE A 46 8.082 6.426 -0.338 1.00 0.00 C ATOM 0 H PHE A 46 9.520 1.554 2.742 1.00 0.00 H new ATOM 0 HA PHE A 46 9.926 4.347 3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.855 2.510 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.208 3.708 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.161 4.474 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.952 4.787 1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.184 6.174 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.977 6.488 -0.117 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.092 7.161 -1.129 1.00 0.00 H new ATOM 713 N ASP A 47 8.506 4.391 5.691 1.00 0.00 N ATOM 714 CA ASP A 47 8.129 4.400 7.094 1.00 0.00 C ATOM 715 C ASP A 47 6.609 4.277 7.210 1.00 0.00 C ATOM 716 O ASP A 47 5.880 5.209 6.876 1.00 0.00 O ATOM 717 CB ASP A 47 8.551 5.706 7.770 1.00 0.00 C ATOM 718 CG ASP A 47 7.929 5.953 9.145 1.00 0.00 C ATOM 719 OD1 ASP A 47 6.731 6.308 9.171 1.00 0.00 O ATOM 720 OD2 ASP A 47 8.665 5.780 10.141 1.00 0.00 O ATOM 0 H ASP A 47 8.374 5.280 5.208 1.00 0.00 H new ATOM 0 HA ASP A 47 8.629 3.564 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.636 5.710 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.290 6.537 7.115 1.00 0.00 H new ATOM 725 N PRO A 48 6.164 3.088 7.698 1.00 0.00 N ATOM 726 CA PRO A 48 4.743 2.831 7.863 1.00 0.00 C ATOM 727 C PRO A 48 4.188 3.576 9.078 1.00 0.00 C ATOM 728 O PRO A 48 2.995 3.500 9.367 1.00 0.00 O ATOM 729 CB PRO A 48 4.628 1.321 7.989 1.00 0.00 C ATOM 730 CG PRO A 48 6.018 0.826 8.356 1.00 0.00 C ATOM 731 CD PRO A 48 6.998 1.961 8.104 1.00 0.00 C ATOM 0 HA PRO A 48 4.150 3.194 7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.901 1.047 8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.289 0.876 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.050 0.519 9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.283 -0.047 7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.571 2.196 9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.716 1.699 7.326 1.00 0.00 H new ATOM 739 N LEU A 49 5.081 4.281 9.758 1.00 0.00 N ATOM 740 CA LEU A 49 4.695 5.040 10.936 1.00 0.00 C ATOM 741 C LEU A 49 3.891 6.268 10.505 1.00 0.00 C ATOM 742 O LEU A 49 2.940 6.660 11.180 1.00 0.00 O ATOM 743 CB LEU A 49 5.925 5.375 11.783 1.00 0.00 C ATOM 744 CG LEU A 49 6.080 4.584 13.083 1.00 0.00 C ATOM 745 CD1 LEU A 49 7.501 4.708 13.634 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.027 5.006 14.110 1.00 0.00 C ATOM 0 H LEU A 49 6.070 4.343 9.516 1.00 0.00 H new ATOM 0 HA LEU A 49 4.047 4.444 11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.815 5.214 11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.894 6.437 12.028 1.00 0.00 H new ATOM 0 HG LEU A 49 5.911 3.530 12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.584 4.136 14.558 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.210 4.320 12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.723 5.756 13.834 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.159 4.429 15.025 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.139 6.067 14.331 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.031 4.823 13.706 1.00 0.00 H new ATOM 758 N HIS A 50 4.303 6.842 9.384 1.00 0.00 N ATOM 759 CA HIS A 50 3.633 8.018 8.856 1.00 0.00 C ATOM 760 C HIS A 50 3.509 7.898 7.335 1.00 0.00 C ATOM 761 O HIS A 50 3.986 8.761 6.600 1.00 0.00 O ATOM 762 CB HIS A 50 4.352 9.296 9.293 1.00 0.00 C ATOM 763 CG HIS A 50 5.043 9.184 10.631 1.00 0.00 C ATOM 764 ND1 HIS A 50 4.370 9.298 11.834 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.353 8.966 10.941 1.00 0.00 C ATOM 766 CE1 HIS A 50 5.245 9.155 12.818 1.00 0.00 C ATOM 767 NE2 HIS A 50 6.474 8.950 12.263 1.00 0.00 N ATOM 0 H HIS A 50 5.092 6.514 8.827 1.00 0.00 H new ATOM 0 HA HIS A 50 2.624 8.080 9.265 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.089 9.563 8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.629 10.111 9.336 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.156 8.830 10.232 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.024 9.194 13.874 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.343 8.808 12.779 1.00 0.00 H new ATOM 775 N THR A 51 2.865 6.821 6.909 1.00 0.00 N ATOM 776 CA THR A 51 2.673 6.577 5.490 1.00 0.00 C ATOM 777 C THR A 51 1.181 6.479 5.163 1.00 0.00 C ATOM 778 O THR A 51 0.406 5.930 5.944 1.00 0.00 O ATOM 779 CB THR A 51 3.460 5.320 5.115 1.00 0.00 C ATOM 780 OG1 THR A 51 4.770 5.804 4.828 1.00 0.00 O ATOM 781 CG2 THR A 51 2.992 4.708 3.793 1.00 0.00 C ATOM 0 H THR A 51 2.470 6.108 7.522 1.00 0.00 H new ATOM 0 HA THR A 51 3.052 7.406 4.892 1.00 0.00 H new ATOM 0 HB THR A 51 3.364 4.581 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.252 5.959 5.667 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.583 3.819 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.940 4.434 3.871 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.119 5.435 2.991 1.00 0.00 H new ATOM 789 N LEU A 52 0.824 7.021 4.008 1.00 0.00 N ATOM 790 CA LEU A 52 -0.561 7.002 3.569 1.00 0.00 C ATOM 791 C LEU A 52 -0.674 6.167 2.292 1.00 0.00 C ATOM 792 O LEU A 52 0.317 5.952 1.596 1.00 0.00 O ATOM 793 CB LEU A 52 -1.096 8.428 3.421 1.00 0.00 C ATOM 794 CG LEU A 52 -2.058 8.900 4.513 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.662 10.261 4.160 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.135 7.848 4.787 1.00 0.00 C ATOM 0 H LEU A 52 1.470 7.476 3.363 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.193 6.526 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.248 9.112 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.603 8.507 2.459 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.492 9.028 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.342 10.574 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.865 10.997 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.210 10.183 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.806 8.208 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.704 7.664 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.664 6.921 5.114 1.00 0.00 H new ATOM 808 N LEU A 53 -1.892 5.718 2.022 1.00 0.00 N ATOM 809 CA LEU A 53 -2.148 4.912 0.841 1.00 0.00 C ATOM 810 C LEU A 53 -3.211 5.598 -0.019 1.00 0.00 C ATOM 811 O LEU A 53 -4.406 5.458 0.236 1.00 0.00 O ATOM 812 CB LEU A 53 -2.509 3.479 1.239 1.00 0.00 C ATOM 813 CG LEU A 53 -1.450 2.718 2.039 1.00 0.00 C ATOM 814 CD1 LEU A 53 -1.982 1.358 2.497 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.150 2.587 1.243 1.00 0.00 C ATOM 0 H LEU A 53 -2.712 5.898 2.602 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.248 4.832 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.428 3.506 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.726 2.915 0.332 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.221 3.293 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.210 0.837 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.859 1.504 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.257 0.763 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.586 2.042 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.343 2.046 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.235 3.580 1.010 1.00 0.00 H new ATOM 827 N LEU A 54 -2.737 6.324 -1.021 1.00 0.00 N ATOM 828 CA LEU A 54 -3.632 7.032 -1.920 1.00 0.00 C ATOM 829 C LEU A 54 -3.987 6.124 -3.099 1.00 0.00 C ATOM 830 O LEU A 54 -3.313 5.124 -3.341 1.00 0.00 O ATOM 831 CB LEU A 54 -3.023 8.372 -2.337 1.00 0.00 C ATOM 832 CG LEU A 54 -2.709 9.348 -1.201 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.973 9.702 -0.416 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.606 8.798 -0.295 1.00 0.00 C ATOM 0 H LEU A 54 -1.745 6.437 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.566 7.277 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.102 8.175 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.708 8.860 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.334 10.273 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.721 10.397 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.698 10.166 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.402 8.796 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.402 9.511 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.929 7.851 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.700 8.640 -0.880 1.00 0.00 H new ATOM 846 N LYS A 55 -5.043 6.506 -3.802 1.00 0.00 N ATOM 847 CA LYS A 55 -5.495 5.739 -4.950 1.00 0.00 C ATOM 848 C LYS A 55 -4.315 5.502 -5.896 1.00 0.00 C ATOM 849 O LYS A 55 -3.779 4.397 -5.961 1.00 0.00 O ATOM 850 CB LYS A 55 -6.689 6.424 -5.617 1.00 0.00 C ATOM 851 CG LYS A 55 -7.801 6.697 -4.601 1.00 0.00 C ATOM 852 CD LYS A 55 -8.949 5.699 -4.763 1.00 0.00 C ATOM 853 CE LYS A 55 -9.770 6.006 -6.017 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.030 6.694 -5.655 1.00 0.00 N ATOM 0 H LYS A 55 -5.599 7.337 -3.599 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.855 4.759 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.368 7.361 -6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.072 5.795 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.399 6.633 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.176 7.712 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.550 4.687 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.593 5.735 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.189 6.631 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.993 5.081 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.576 6.895 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.590 6.084 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.811 7.586 -5.168 1.00 0.00 H new ATOM 868 N ASP A 56 -3.946 6.558 -6.606 1.00 0.00 N ATOM 869 CA ASP A 56 -2.840 6.479 -7.545 1.00 0.00 C ATOM 870 C ASP A 56 -2.078 7.806 -7.542 1.00 0.00 C ATOM 871 O ASP A 56 -2.531 8.784 -6.949 1.00 0.00 O ATOM 872 CB ASP A 56 -3.343 6.226 -8.968 1.00 0.00 C ATOM 873 CG ASP A 56 -4.684 6.882 -9.306 1.00 0.00 C ATOM 874 OD1 ASP A 56 -5.708 6.366 -8.809 1.00 0.00 O ATOM 875 OD2 ASP A 56 -4.653 7.883 -10.054 1.00 0.00 O ATOM 0 H ASP A 56 -4.393 7.473 -6.550 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.195 5.655 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.592 6.585 -9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.433 5.150 -9.120 1.00 0.00 H new ATOM 880 N TYR A 57 -0.935 7.797 -8.211 1.00 0.00 N ATOM 881 CA TYR A 57 -0.106 8.987 -8.292 1.00 0.00 C ATOM 882 C TYR A 57 -0.952 10.225 -8.596 1.00 0.00 C ATOM 883 O TYR A 57 -0.736 11.287 -8.015 1.00 0.00 O ATOM 884 CB TYR A 57 0.863 8.748 -9.452 1.00 0.00 C ATOM 885 CG TYR A 57 1.479 10.027 -10.022 1.00 0.00 C ATOM 886 CD1 TYR A 57 0.791 10.766 -10.963 1.00 0.00 C ATOM 887 CD2 TYR A 57 2.724 10.443 -9.594 1.00 0.00 C ATOM 888 CE1 TYR A 57 1.371 11.969 -11.499 1.00 0.00 C ATOM 889 CE2 TYR A 57 3.305 11.647 -10.130 1.00 0.00 C ATOM 890 CZ TYR A 57 2.600 12.351 -11.056 1.00 0.00 C ATOM 891 OH TYR A 57 3.148 13.488 -11.562 1.00 0.00 O ATOM 0 H TYR A 57 -0.563 6.984 -8.702 1.00 0.00 H new ATOM 0 HA TYR A 57 0.408 9.161 -7.347 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.664 8.091 -9.113 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.337 8.224 -10.250 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.183 10.441 -11.297 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.262 9.865 -8.857 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.843 12.556 -12.236 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.278 11.983 -9.804 1.00 0.00 H new ATOM 0 HH TYR A 57 4.026 13.638 -11.154 1.00 0.00 H new ATOM 901 N GLN A 58 -1.898 10.046 -9.507 1.00 0.00 N ATOM 902 CA GLN A 58 -2.777 11.136 -9.895 1.00 0.00 C ATOM 903 C GLN A 58 -3.708 11.505 -8.738 1.00 0.00 C ATOM 904 O GLN A 58 -3.565 12.569 -8.138 1.00 0.00 O ATOM 905 CB GLN A 58 -3.577 10.774 -11.148 1.00 0.00 C ATOM 906 CG GLN A 58 -3.913 12.024 -11.964 1.00 0.00 C ATOM 907 CD GLN A 58 -5.409 12.086 -12.282 1.00 0.00 C ATOM 908 OE1 GLN A 58 -6.256 11.735 -11.477 1.00 0.00 O ATOM 909 NE2 GLN A 58 -5.685 12.550 -13.498 1.00 0.00 N ATOM 0 H GLN A 58 -2.075 9.163 -9.987 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.164 12.005 -10.133 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.004 10.078 -11.761 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.497 10.264 -10.862 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.618 12.915 -11.409 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.340 12.022 -12.891 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.927 12.827 -14.122 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.654 12.629 -13.806 1.00 0.00 H new ATOM 918 N SER A 59 -4.640 10.605 -8.461 1.00 0.00 N ATOM 919 CA SER A 59 -5.594 10.823 -7.386 1.00 0.00 C ATOM 920 C SER A 59 -4.853 11.068 -6.070 1.00 0.00 C ATOM 921 O SER A 59 -3.708 10.648 -5.911 1.00 0.00 O ATOM 922 CB SER A 59 -6.546 9.634 -7.245 1.00 0.00 C ATOM 923 OG SER A 59 -7.851 9.935 -7.731 1.00 0.00 O ATOM 0 H SER A 59 -4.755 9.724 -8.962 1.00 0.00 H new ATOM 0 HA SER A 59 -6.189 11.703 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.144 8.781 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.608 9.341 -6.197 1.00 0.00 H new ATOM 0 HG SER A 59 -8.429 9.150 -7.625 1.00 0.00 H new ATOM 929 N GLN A 60 -5.536 11.748 -5.161 1.00 0.00 N ATOM 930 CA GLN A 60 -4.957 12.054 -3.864 1.00 0.00 C ATOM 931 C GLN A 60 -5.883 11.578 -2.743 1.00 0.00 C ATOM 932 O GLN A 60 -5.677 11.914 -1.578 1.00 0.00 O ATOM 933 CB GLN A 60 -4.663 13.550 -3.734 1.00 0.00 C ATOM 934 CG GLN A 60 -3.515 13.965 -4.658 1.00 0.00 C ATOM 935 CD GLN A 60 -3.831 15.284 -5.366 1.00 0.00 C ATOM 936 OE1 GLN A 60 -4.842 15.922 -5.123 1.00 0.00 O ATOM 937 NE2 GLN A 60 -2.913 15.656 -6.252 1.00 0.00 N ATOM 0 H GLN A 60 -6.485 12.096 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.010 11.522 -3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.557 14.123 -3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.407 13.786 -2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.597 14.069 -4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.338 13.184 -5.398 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.089 15.075 -6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.032 16.523 -6.777 1.00 0.00 H new ATOM 946 N GLU A 61 -6.885 10.804 -3.135 1.00 0.00 N ATOM 947 CA GLU A 61 -7.843 10.278 -2.178 1.00 0.00 C ATOM 948 C GLU A 61 -7.233 9.110 -1.402 1.00 0.00 C ATOM 949 O GLU A 61 -6.595 8.236 -1.988 1.00 0.00 O ATOM 950 CB GLU A 61 -9.139 9.857 -2.875 1.00 0.00 C ATOM 951 CG GLU A 61 -10.323 10.691 -2.382 1.00 0.00 C ATOM 952 CD GLU A 61 -11.345 10.906 -3.501 1.00 0.00 C ATOM 953 OE1 GLU A 61 -10.899 11.236 -4.621 1.00 0.00 O ATOM 954 OE2 GLU A 61 -12.548 10.736 -3.210 1.00 0.00 O ATOM 0 H GLU A 61 -7.054 10.529 -4.103 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.090 11.068 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.031 9.974 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.331 8.801 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.800 10.190 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.967 11.655 -2.019 1.00 0.00 H new ATOM 961 N PRO A 62 -7.455 9.132 -0.060 1.00 0.00 N ATOM 962 CA PRO A 62 -6.934 8.085 0.802 1.00 0.00 C ATOM 963 C PRO A 62 -7.747 6.797 0.654 1.00 0.00 C ATOM 964 O PRO A 62 -8.961 6.844 0.461 1.00 0.00 O ATOM 965 CB PRO A 62 -6.993 8.666 2.205 1.00 0.00 C ATOM 966 CG PRO A 62 -7.970 9.829 2.135 1.00 0.00 C ATOM 967 CD PRO A 62 -8.206 10.150 0.668 1.00 0.00 C ATOM 0 HA PRO A 62 -5.914 7.798 0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.328 7.918 2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.008 9.002 2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.908 9.570 2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.568 10.698 2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.267 10.112 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.856 11.152 0.421 1.00 0.00 H new ATOM 975 N LEU A 63 -7.045 5.678 0.749 1.00 0.00 N ATOM 976 CA LEU A 63 -7.686 4.380 0.628 1.00 0.00 C ATOM 977 C LEU A 63 -8.045 3.861 2.022 1.00 0.00 C ATOM 978 O LEU A 63 -7.631 4.436 3.028 1.00 0.00 O ATOM 979 CB LEU A 63 -6.806 3.421 -0.177 1.00 0.00 C ATOM 980 CG LEU A 63 -6.276 3.956 -1.510 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.916 3.341 -1.845 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.295 3.741 -2.631 1.00 0.00 C ATOM 0 H LEU A 63 -6.038 5.643 0.908 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.618 4.466 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.955 3.135 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.377 2.514 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.128 5.031 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.562 3.738 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.201 3.589 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.014 2.258 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.894 4.130 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.499 2.676 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.220 4.264 -2.387 1.00 0.00 H new ATOM 994 N ASP A 64 -8.810 2.780 2.037 1.00 0.00 N ATOM 995 CA ASP A 64 -9.230 2.177 3.290 1.00 0.00 C ATOM 996 C ASP A 64 -8.408 0.912 3.543 1.00 0.00 C ATOM 997 O ASP A 64 -8.484 -0.046 2.775 1.00 0.00 O ATOM 998 CB ASP A 64 -10.707 1.780 3.244 1.00 0.00 C ATOM 999 CG ASP A 64 -11.637 2.648 4.094 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.194 3.755 4.469 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.769 2.184 4.349 1.00 0.00 O ATOM 0 H ASP A 64 -9.150 2.306 1.201 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.079 2.909 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.046 1.817 2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.800 0.745 3.573 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.641 0.949 4.623 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.805 -0.183 4.986 1.00 0.00 C ATOM 1008 C LEU A 65 -7.662 -1.450 5.035 1.00 0.00 C ATOM 1009 O LEU A 65 -7.379 -2.422 4.337 1.00 0.00 O ATOM 1010 CB LEU A 65 -6.054 0.101 6.289 1.00 0.00 C ATOM 1011 CG LEU A 65 -5.217 1.381 6.314 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -5.023 1.881 7.747 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.883 1.179 5.593 1.00 0.00 C ATOM 0 H LEU A 65 -7.581 1.745 5.258 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.036 -0.346 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.780 0.149 7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.397 -0.743 6.498 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.761 2.155 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.425 2.792 7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.995 2.090 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.511 1.117 8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.308 2.104 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.321 0.385 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.069 0.904 4.555 1.00 0.00 H new ATOM 1025 N THR A 66 -8.693 -1.397 5.865 1.00 0.00 N ATOM 1026 CA THR A 66 -9.594 -2.527 6.013 1.00 0.00 C ATOM 1027 C THR A 66 -9.868 -3.173 4.654 1.00 0.00 C ATOM 1028 O THR A 66 -10.009 -4.391 4.557 1.00 0.00 O ATOM 1029 CB THR A 66 -10.859 -2.035 6.719 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.282 -0.922 5.936 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.565 -1.432 8.094 1.00 0.00 C ATOM 0 H THR A 66 -8.925 -0.589 6.442 1.00 0.00 H new ATOM 0 HA THR A 66 -9.148 -3.311 6.625 1.00 0.00 H new ATOM 0 HB THR A 66 -11.560 -2.863 6.828 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.099 -0.542 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.496 -1.099 8.552 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.098 -2.185 8.729 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.891 -0.582 7.982 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.936 -2.327 3.636 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.192 -2.799 2.286 1.00 0.00 C ATOM 1041 C LYS A 67 -8.880 -3.282 1.663 1.00 0.00 C ATOM 1042 O LYS A 67 -7.826 -2.691 1.889 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.901 -1.720 1.466 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.191 -1.269 2.153 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.421 -1.778 1.398 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.088 -2.931 2.152 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.415 -3.231 1.571 1.00 0.00 N ATOM 0 H LYS A 67 -9.818 -1.317 3.719 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.871 -3.651 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.238 -0.865 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.129 -2.105 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.210 -1.639 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.217 -0.181 2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.134 -0.964 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.129 -2.111 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.455 -3.818 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.196 -2.671 3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.854 -4.015 2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.021 -2.389 1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.304 -3.500 0.573 1.00 0.00 H new ATOM 1061 N SER A 68 -8.989 -4.353 0.890 1.00 0.00 N ATOM 1062 CA SER A 68 -7.825 -4.923 0.233 1.00 0.00 C ATOM 1063 C SER A 68 -7.893 -4.659 -1.273 1.00 0.00 C ATOM 1064 O SER A 68 -8.885 -4.128 -1.769 1.00 0.00 O ATOM 1065 CB SER A 68 -7.719 -6.425 0.505 1.00 0.00 C ATOM 1066 OG SER A 68 -8.399 -6.801 1.699 1.00 0.00 O ATOM 0 H SER A 68 -9.865 -4.841 0.704 1.00 0.00 H new ATOM 0 HA SER A 68 -6.934 -4.444 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.135 -6.976 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.669 -6.706 0.582 1.00 0.00 H new ATOM 0 HG SER A 68 -7.931 -7.553 2.119 1.00 0.00 H new ATOM 1072 N LEU A 69 -6.825 -5.043 -1.957 1.00 0.00 N ATOM 1073 CA LEU A 69 -6.751 -4.854 -3.396 1.00 0.00 C ATOM 1074 C LEU A 69 -8.033 -5.384 -4.042 1.00 0.00 C ATOM 1075 O LEU A 69 -8.485 -4.856 -5.057 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.474 -5.487 -3.954 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.176 -4.722 -3.689 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.111 -3.445 -4.530 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.003 -4.434 -2.197 1.00 0.00 C ATOM 0 H LEU A 69 -6.004 -5.484 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.686 -3.793 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.375 -6.488 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.591 -5.603 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.341 -5.352 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.179 -2.920 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.154 -3.704 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.954 -2.801 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.072 -3.889 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.841 -3.833 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.972 -5.374 -1.646 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.582 -6.421 -3.427 1.00 0.00 N ATOM 1092 CA ASN A 70 -9.803 -7.028 -3.930 1.00 0.00 C ATOM 1093 C ASN A 70 -10.986 -6.102 -3.637 1.00 0.00 C ATOM 1094 O ASN A 70 -11.682 -5.670 -4.555 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.073 -8.370 -3.246 1.00 0.00 C ATOM 1096 CG ASN A 70 -9.848 -9.533 -4.213 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.324 -9.541 -5.337 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.097 -10.512 -3.716 1.00 0.00 N ATOM 0 H ASN A 70 -8.204 -6.856 -2.585 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.684 -7.187 -5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.419 -8.480 -2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.098 -8.394 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.888 -11.333 -4.284 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.730 -10.442 -2.767 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.176 -5.824 -2.356 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.262 -4.958 -1.931 1.00 0.00 C ATOM 1107 C ASP A 71 -12.174 -3.630 -2.686 1.00 0.00 C ATOM 1108 O ASP A 71 -13.192 -3.079 -3.102 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.174 -4.657 -0.434 1.00 0.00 C ATOM 1110 CG ASP A 71 -11.965 -5.881 0.460 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -11.985 -7.000 -0.096 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -11.790 -5.670 1.680 1.00 0.00 O ATOM 0 H ASP A 71 -10.596 -6.183 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.202 -5.468 -2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.354 -3.959 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.090 -4.153 -0.126 1.00 0.00 H new ATOM 1117 N LEU A 72 -10.947 -3.154 -2.840 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.713 -1.901 -3.538 1.00 0.00 C ATOM 1119 C LEU A 72 -10.957 -2.102 -5.034 1.00 0.00 C ATOM 1120 O LEU A 72 -11.804 -1.433 -5.624 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.321 -1.357 -3.209 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.066 -1.010 -1.741 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -7.589 -1.190 -1.384 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -9.567 0.398 -1.414 1.00 0.00 C ATOM 0 H LEU A 72 -10.105 -3.613 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.416 -1.139 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.581 -2.094 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.151 -0.462 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.634 -1.705 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.435 -0.937 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.297 -2.226 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.981 -0.535 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.373 0.619 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.047 1.124 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.639 0.456 -1.605 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.199 -3.026 -5.606 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.323 -3.324 -7.023 1.00 0.00 C ATOM 1138 C GLY A 73 -9.248 -2.595 -7.832 1.00 0.00 C ATOM 1139 O GLY A 73 -9.493 -2.177 -8.963 1.00 0.00 O ATOM 0 H GLY A 73 -9.497 -3.578 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.236 -4.399 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.311 -3.029 -7.375 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.079 -2.464 -7.221 1.00 0.00 N ATOM 1144 CA LEU A 74 -6.966 -1.793 -7.870 1.00 0.00 C ATOM 1145 C LEU A 74 -5.764 -2.738 -7.917 1.00 0.00 C ATOM 1146 O LEU A 74 -5.697 -3.701 -7.156 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.672 -0.457 -7.185 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.837 0.533 -7.117 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.549 1.650 -6.112 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.170 1.082 -8.506 1.00 0.00 C ATOM 0 H LEU A 74 -7.879 -2.811 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.219 -1.547 -8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.333 -0.659 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.844 0.022 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.719 0.000 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.392 2.340 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.399 1.219 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.650 2.188 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.001 1.783 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.299 1.595 -8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.448 0.260 -9.165 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.844 -2.429 -8.819 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.647 -3.238 -8.975 1.00 0.00 C ATOM 1164 C ARG A 75 -2.405 -2.427 -8.602 1.00 0.00 C ATOM 1165 O ARG A 75 -1.321 -2.985 -8.437 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.506 -3.741 -10.414 1.00 0.00 C ATOM 1167 CG ARG A 75 -3.983 -5.190 -10.537 1.00 0.00 C ATOM 1168 CD ARG A 75 -2.917 -6.163 -10.032 1.00 0.00 C ATOM 1169 NE ARG A 75 -2.467 -7.040 -11.136 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.223 -7.996 -11.692 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -4.471 -8.205 -11.250 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -2.732 -8.743 -12.690 1.00 0.00 N ATOM 0 H ARG A 75 -4.903 -1.629 -9.449 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.738 -4.096 -8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.085 -3.105 -11.084 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.465 -3.669 -10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.902 -5.324 -9.966 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.219 -5.412 -11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.069 -5.609 -9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.320 -6.766 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.522 -6.908 -11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.845 -7.636 -10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.047 -8.933 -11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.782 -8.584 -13.027 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.308 -9.471 -13.113 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.604 -1.123 -8.479 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.513 -0.230 -8.128 1.00 0.00 C ATOM 1188 C GLU A 76 -1.988 0.817 -7.118 1.00 0.00 C ATOM 1189 O GLU A 76 -3.173 1.144 -7.069 1.00 0.00 O ATOM 1190 CB GLU A 76 -0.928 0.437 -9.374 1.00 0.00 C ATOM 1191 CG GLU A 76 -1.898 1.470 -9.951 1.00 0.00 C ATOM 1192 CD GLU A 76 -2.289 1.113 -11.386 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -1.529 1.509 -12.296 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -3.339 0.452 -11.541 1.00 0.00 O ATOM 0 H GLU A 76 -3.504 -0.664 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.721 -0.820 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.016 0.920 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.708 -0.320 -10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.792 1.522 -9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.437 2.458 -9.931 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.040 1.314 -6.338 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.347 2.317 -5.332 1.00 0.00 C ATOM 1203 C LEU A 77 -0.124 3.211 -5.120 1.00 0.00 C ATOM 1204 O LEU A 77 0.961 2.915 -5.620 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.853 1.652 -4.050 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.023 0.476 -3.531 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.443 0.783 -2.149 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.842 -0.816 -3.535 1.00 0.00 C ATOM 0 H LEU A 77 -0.058 1.041 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.158 2.961 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.903 2.409 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.871 1.304 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.181 0.326 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.143 -0.069 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.198 1.663 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.255 0.974 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.229 -1.636 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.716 -0.695 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.166 -1.038 -4.552 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.339 4.287 -4.377 1.00 0.00 N ATOM 1221 CA TYR A 78 0.733 5.226 -4.093 1.00 0.00 C ATOM 1222 C TYR A 78 0.943 5.377 -2.585 1.00 0.00 C ATOM 1223 O TYR A 78 -0.020 5.410 -1.820 1.00 0.00 O ATOM 1224 CB TYR A 78 0.281 6.569 -4.670 1.00 0.00 C ATOM 1225 CG TYR A 78 1.190 7.742 -4.301 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.387 7.924 -4.964 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.814 8.620 -3.304 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.243 9.029 -4.617 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.670 9.724 -2.956 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.842 9.874 -3.630 1.00 0.00 C ATOM 1231 OH TYR A 78 3.651 10.917 -3.301 1.00 0.00 O ATOM 0 H TYR A 78 -1.239 4.529 -3.963 1.00 0.00 H new ATOM 0 HA TYR A 78 1.672 4.880 -4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.232 6.488 -5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.729 6.782 -4.320 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.682 7.237 -5.744 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.123 8.479 -2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.182 9.183 -5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.388 10.417 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 78 3.237 11.437 -2.581 1.00 0.00 H new ATOM 1241 N ALA A 79 2.208 5.466 -2.202 1.00 0.00 N ATOM 1242 CA ALA A 79 2.557 5.613 -0.799 1.00 0.00 C ATOM 1243 C ALA A 79 3.004 7.053 -0.537 1.00 0.00 C ATOM 1244 O ALA A 79 4.060 7.474 -1.007 1.00 0.00 O ATOM 1245 CB ALA A 79 3.636 4.592 -0.431 1.00 0.00 C ATOM 0 H ALA A 79 3.004 5.439 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 79 1.692 5.416 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.898 4.702 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.259 3.585 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.521 4.761 -1.045 1.00 0.00 H new ATOM 1251 N MET A 80 2.177 7.768 0.211 1.00 0.00 N ATOM 1252 CA MET A 80 2.474 9.152 0.541 1.00 0.00 C ATOM 1253 C MET A 80 3.130 9.259 1.919 1.00 0.00 C ATOM 1254 O MET A 80 2.793 8.505 2.831 1.00 0.00 O ATOM 1255 CB MET A 80 1.181 9.969 0.526 1.00 0.00 C ATOM 1256 CG MET A 80 1.473 11.461 0.698 1.00 0.00 C ATOM 1257 SD MET A 80 0.562 12.406 -0.512 1.00 0.00 S ATOM 1258 CE MET A 80 -1.069 12.346 0.211 1.00 0.00 C ATOM 0 H MET A 80 1.302 7.415 0.598 1.00 0.00 H new ATOM 0 HA MET A 80 3.169 9.542 -0.202 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.653 9.804 -0.413 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.523 9.629 1.325 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.197 11.780 1.703 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.541 11.646 0.586 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.788 12.015 -0.539 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.071 11.648 1.048 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.346 13.338 0.566 1.00 0.00 H new ATOM 1268 N ASP A 81 4.054 10.201 2.028 1.00 0.00 N ATOM 1269 CA ASP A 81 4.760 10.417 3.280 1.00 0.00 C ATOM 1270 C ASP A 81 4.233 11.690 3.945 1.00 0.00 C ATOM 1271 O ASP A 81 4.526 12.796 3.495 1.00 0.00 O ATOM 1272 CB ASP A 81 6.261 10.594 3.042 1.00 0.00 C ATOM 1273 CG ASP A 81 7.154 9.587 3.770 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.602 8.840 4.606 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.369 9.588 3.475 1.00 0.00 O ATOM 0 H ASP A 81 4.331 10.824 1.270 1.00 0.00 H new ATOM 0 HA ASP A 81 4.596 9.546 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.455 10.522 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.546 11.600 3.351 1.00 0.00 H new