USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 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 36 MET CE :methyl -126:sc= -1.15 (180deg=-1.75!) USER MOD Set 1.2: A 40 ASN : amide:sc= 0.722 K(o=-0.43,f=-1.6) USER MOD Single : A 15 HIS : no HE2:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.179) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3.1!) USER MOD Single : A 35 GLN : amide:sc= -6.55! C(o=-6.5!,f=-8.9!) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= -0.0377 (180deg=-0.22) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.384 (180deg=-0.901) USER MOD Single : A 57 CYS SG : rot 73:sc= 0.635 USER MOD Single : A 59 HIS : +bothHN:sc= -0.202 K(o=-0.2,f=-1.9) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc=-0.00168 (180deg=-0.0733) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.608 F(o=-2.4!,f=-0.61) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 67:sc= 1.24 USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= -0.218 (180deg=-0.302) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.133) USER MOD Single : A 80 ASN : amide:sc= -0.0189 K(o=-0.019,f=-0.84) USER MOD Single : A 81 SER OG : rot 68:sc= 0.253 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.374 F(o=-2!,f=-0.37) USER MOD Single : A 86 HIS : no HE2:sc= 0.244 K(o=0.24,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 0.009 -12.250 -6.825 1.00 0.00 N ATOM 115 CA VAL A 10 -1.101 -11.422 -6.402 1.00 0.00 C ATOM 116 C VAL A 10 -0.625 -9.987 -6.261 1.00 0.00 C ATOM 117 O VAL A 10 0.288 -9.700 -5.486 1.00 0.00 O ATOM 118 CB VAL A 10 -1.685 -11.907 -5.058 1.00 0.00 C ATOM 119 CG1 VAL A 10 -2.775 -10.964 -4.569 1.00 0.00 C ATOM 120 CG2 VAL A 10 -2.220 -13.323 -5.188 1.00 0.00 C ATOM 0 HA VAL A 10 -1.887 -11.488 -7.154 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.883 -11.909 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.171 -11.327 -3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.358 -9.967 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.578 -10.923 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.627 -13.647 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.005 -13.347 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.412 -13.992 -5.483 1.00 0.00 H new ATOM 130 N ASP A 11 -1.224 -9.092 -7.024 1.00 0.00 N ATOM 131 CA ASP A 11 -0.806 -7.703 -7.011 1.00 0.00 C ATOM 132 C ASP A 11 -1.944 -6.816 -6.532 1.00 0.00 C ATOM 133 O ASP A 11 -3.008 -6.766 -7.151 1.00 0.00 O ATOM 134 CB ASP A 11 -0.351 -7.276 -8.405 1.00 0.00 C ATOM 135 CG ASP A 11 0.425 -5.980 -8.383 1.00 0.00 C ATOM 136 OD1 ASP A 11 -0.201 -4.899 -8.305 1.00 0.00 O ATOM 137 OD2 ASP A 11 1.669 -6.036 -8.454 1.00 0.00 O ATOM 0 H ASP A 11 -1.997 -9.300 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 11 0.032 -7.596 -6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.269 -8.061 -8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.222 -7.164 -9.051 1.00 0.00 H new ATOM 142 N VAL A 12 -1.715 -6.122 -5.432 1.00 0.00 N ATOM 143 CA VAL A 12 -2.734 -5.273 -4.837 1.00 0.00 C ATOM 144 C VAL A 12 -2.437 -3.807 -5.130 1.00 0.00 C ATOM 145 O VAL A 12 -1.318 -3.341 -4.919 1.00 0.00 O ATOM 146 CB VAL A 12 -2.816 -5.488 -3.311 1.00 0.00 C ATOM 147 CG1 VAL A 12 -3.889 -4.607 -2.692 1.00 0.00 C ATOM 148 CG2 VAL A 12 -3.074 -6.953 -2.989 1.00 0.00 C ATOM 0 H VAL A 12 -0.827 -6.129 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.693 -5.544 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.856 -5.204 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.925 -4.779 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.656 -3.560 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.857 -4.850 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.128 -7.084 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.016 -7.264 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.262 -7.562 -3.388 1.00 0.00 H new ATOM 158 N GLU A 13 -3.434 -3.081 -5.617 1.00 0.00 N ATOM 159 CA GLU A 13 -3.251 -1.680 -5.953 1.00 0.00 C ATOM 160 C GLU A 13 -3.977 -0.792 -4.946 1.00 0.00 C ATOM 161 O GLU A 13 -5.198 -0.849 -4.801 1.00 0.00 O ATOM 162 CB GLU A 13 -3.728 -1.395 -7.385 1.00 0.00 C ATOM 163 CG GLU A 13 -5.197 -1.703 -7.627 1.00 0.00 C ATOM 164 CD GLU A 13 -5.616 -1.475 -9.064 1.00 0.00 C ATOM 165 OE1 GLU A 13 -5.181 -0.472 -9.668 1.00 0.00 O ATOM 166 OE2 GLU A 13 -6.395 -2.291 -9.592 1.00 0.00 O ATOM 0 H GLU A 13 -4.374 -3.439 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.187 -1.450 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.546 -0.345 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.126 -1.981 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.395 -2.740 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.807 -1.080 -6.972 1.00 0.00 H new ATOM 173 N ILE A 14 -3.208 0.011 -4.237 1.00 0.00 N ATOM 174 CA ILE A 14 -3.749 0.900 -3.225 1.00 0.00 C ATOM 175 C ILE A 14 -3.504 2.343 -3.648 1.00 0.00 C ATOM 176 O ILE A 14 -2.400 2.685 -4.071 1.00 0.00 O ATOM 177 CB ILE A 14 -3.089 0.637 -1.852 1.00 0.00 C ATOM 178 CG1 ILE A 14 -3.144 -0.861 -1.517 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.778 1.449 -0.771 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.523 -1.220 -0.183 1.00 0.00 C ATOM 0 H ILE A 14 -2.195 0.066 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.819 0.717 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.044 0.945 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.185 -1.185 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.635 -1.417 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.302 1.253 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.698 2.510 -1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.830 1.168 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.603 -2.295 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.472 -0.930 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.046 -0.694 0.615 1.00 0.00 H new ATOM 192 N HIS A 15 -4.523 3.185 -3.558 1.00 0.00 N ATOM 193 CA HIS A 15 -4.386 4.562 -4.009 1.00 0.00 C ATOM 194 C HIS A 15 -4.657 5.528 -2.867 1.00 0.00 C ATOM 195 O HIS A 15 -5.804 5.742 -2.477 1.00 0.00 O ATOM 196 CB HIS A 15 -5.355 4.845 -5.160 1.00 0.00 C ATOM 197 CG HIS A 15 -5.142 3.977 -6.363 1.00 0.00 C ATOM 198 ND1 HIS A 15 -5.862 2.825 -6.602 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.281 4.100 -7.397 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.451 2.277 -7.729 1.00 0.00 C ATOM 201 NE2 HIS A 15 -4.493 3.030 -8.232 1.00 0.00 N ATOM 0 H HIS A 15 -5.440 2.944 -3.183 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.363 4.704 -4.358 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.376 4.710 -4.803 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.256 5.889 -5.456 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -6.598 2.455 -6.001 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.561 4.892 -7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.834 1.366 -8.165 1.00 0.00 H new ATOM 210 N PHE A 16 -3.604 6.154 -2.380 1.00 0.00 N ATOM 211 CA PHE A 16 -3.718 7.081 -1.273 1.00 0.00 C ATOM 212 C PHE A 16 -3.765 8.502 -1.795 1.00 0.00 C ATOM 213 O PHE A 16 -2.955 8.877 -2.637 1.00 0.00 O ATOM 214 CB PHE A 16 -2.532 6.941 -0.314 1.00 0.00 C ATOM 215 CG PHE A 16 -2.470 5.632 0.420 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.569 5.155 1.113 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.302 4.891 0.436 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.505 3.963 1.806 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.233 3.696 1.124 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.336 3.232 1.809 1.00 0.00 C ATOM 0 H PHE A 16 -2.655 6.036 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.637 6.850 -0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.609 7.070 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.575 7.750 0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.488 5.722 1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.434 5.251 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.369 3.604 2.345 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.316 3.125 1.126 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.284 2.297 2.347 1.00 0.00 H new ATOM 230 N PRO A 17 -4.714 9.311 -1.316 1.00 0.00 N ATOM 231 CA PRO A 17 -4.765 10.722 -1.669 1.00 0.00 C ATOM 232 C PRO A 17 -3.554 11.437 -1.086 1.00 0.00 C ATOM 233 O PRO A 17 -3.329 11.430 0.125 1.00 0.00 O ATOM 234 CB PRO A 17 -6.072 11.226 -1.043 1.00 0.00 C ATOM 235 CG PRO A 17 -6.808 10.013 -0.585 1.00 0.00 C ATOM 236 CD PRO A 17 -5.786 8.932 -0.389 1.00 0.00 C ATOM 0 HA PRO A 17 -4.743 10.900 -2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.870 11.897 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.660 11.787 -1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.342 10.213 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.553 9.712 -1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.432 8.894 0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.191 7.948 -0.623 1.00 0.00 H new ATOM 244 N LEU A 18 -2.772 12.034 -1.983 1.00 0.00 N ATOM 245 CA LEU A 18 -1.436 12.540 -1.675 1.00 0.00 C ATOM 246 C LEU A 18 -1.425 13.499 -0.482 1.00 0.00 C ATOM 247 O LEU A 18 -0.535 13.430 0.365 1.00 0.00 O ATOM 248 CB LEU A 18 -0.854 13.214 -2.926 1.00 0.00 C ATOM 249 CG LEU A 18 0.657 13.468 -2.914 1.00 0.00 C ATOM 250 CD1 LEU A 18 1.192 13.492 -4.336 1.00 0.00 C ATOM 251 CD2 LEU A 18 0.990 14.778 -2.212 1.00 0.00 C ATOM 0 H LEU A 18 -3.050 12.182 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.814 11.693 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.091 12.594 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.361 14.168 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 18 1.132 12.657 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.267 13.673 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.994 12.533 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.700 14.287 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.069 14.931 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.503 15.603 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.636 14.739 -1.182 1.00 0.00 H new ATOM 263 N LYS A 19 -2.401 14.388 -0.417 1.00 0.00 N ATOM 264 CA LYS A 19 -2.443 15.381 0.651 1.00 0.00 C ATOM 265 C LYS A 19 -2.989 14.787 1.945 1.00 0.00 C ATOM 266 O LYS A 19 -2.704 15.286 3.034 1.00 0.00 O ATOM 267 CB LYS A 19 -3.250 16.611 0.229 1.00 0.00 C ATOM 268 CG LYS A 19 -2.507 17.492 -0.768 1.00 0.00 C ATOM 269 CD LYS A 19 -3.247 18.789 -1.080 1.00 0.00 C ATOM 270 CE LYS A 19 -4.227 18.636 -2.232 1.00 0.00 C ATOM 271 NZ LYS A 19 -5.591 18.247 -1.783 1.00 0.00 N ATOM 0 H LYS A 19 -3.171 14.446 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.418 15.700 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.193 16.287 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.496 17.199 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.520 17.729 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.353 16.936 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.784 19.120 -0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.524 19.567 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.285 19.576 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.850 17.885 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.271 18.418 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.599 17.238 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.858 18.813 -0.952 1.00 0.00 H new ATOM 285 N ARG A 20 -3.770 13.722 1.830 1.00 0.00 N ATOM 286 CA ARG A 20 -4.313 13.057 3.012 1.00 0.00 C ATOM 287 C ARG A 20 -3.295 12.114 3.640 1.00 0.00 C ATOM 288 O ARG A 20 -3.188 12.039 4.862 1.00 0.00 O ATOM 289 CB ARG A 20 -5.574 12.267 2.661 1.00 0.00 C ATOM 290 CG ARG A 20 -6.871 12.987 2.982 1.00 0.00 C ATOM 291 CD ARG A 20 -7.116 14.178 2.073 1.00 0.00 C ATOM 292 NE ARG A 20 -8.423 14.778 2.333 1.00 0.00 N ATOM 293 CZ ARG A 20 -9.054 15.614 1.508 1.00 0.00 C ATOM 294 NH1 ARG A 20 -8.489 16.005 0.375 1.00 0.00 N ATOM 295 NH2 ARG A 20 -10.260 16.068 1.825 1.00 0.00 N ATOM 0 H ARG A 20 -4.041 13.301 0.941 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.560 13.838 3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.557 12.031 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.556 11.319 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.703 12.288 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.849 13.324 4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.334 14.922 2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.058 13.862 1.031 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.886 14.540 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.560 15.666 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.983 16.645 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.701 15.777 2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.746 16.708 1.196 1.00 0.00 H new ATOM 309 N ILE A 21 -2.520 11.426 2.808 1.00 0.00 N ATOM 310 CA ILE A 21 -1.546 10.462 3.308 1.00 0.00 C ATOM 311 C ILE A 21 -0.392 11.184 3.994 1.00 0.00 C ATOM 312 O ILE A 21 0.251 10.638 4.885 1.00 0.00 O ATOM 313 CB ILE A 21 -1.010 9.539 2.187 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.098 8.444 2.761 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.270 10.344 1.128 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.749 7.600 3.838 1.00 0.00 C ATOM 0 H ILE A 21 -2.546 11.517 1.792 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.058 9.829 4.033 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.867 9.057 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.225 7.792 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.798 8.910 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.097 9.673 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.948 11.074 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.572 10.862 1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.040 6.851 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.047 8.238 4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.629 7.103 3.429 1.00 0.00 H new ATOM 328 N ALA A 22 -0.152 12.425 3.584 1.00 0.00 N ATOM 329 CA ALA A 22 0.872 13.248 4.208 1.00 0.00 C ATOM 330 C ALA A 22 0.441 13.658 5.611 1.00 0.00 C ATOM 331 O ALA A 22 1.271 13.836 6.505 1.00 0.00 O ATOM 332 CB ALA A 22 1.149 14.476 3.355 1.00 0.00 C ATOM 0 H ALA A 22 -0.654 12.881 2.822 1.00 0.00 H new ATOM 0 HA ALA A 22 1.790 12.665 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.917 15.085 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.494 14.164 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.235 15.061 3.252 1.00 0.00 H new ATOM 338 N ALA A 23 -0.866 13.767 5.804 1.00 0.00 N ATOM 339 CA ALA A 23 -1.429 14.216 7.068 1.00 0.00 C ATOM 340 C ALA A 23 -1.339 13.114 8.116 1.00 0.00 C ATOM 341 O ALA A 23 -1.227 11.935 7.787 1.00 0.00 O ATOM 342 CB ALA A 23 -2.876 14.644 6.871 1.00 0.00 C ATOM 0 H ALA A 23 -1.563 13.548 5.092 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.854 15.072 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.289 14.979 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.919 15.460 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.458 13.800 6.499 1.00 0.00 H new ATOM 348 N GLU A 24 -1.382 13.510 9.382 1.00 0.00 N ATOM 349 CA GLU A 24 -1.278 12.567 10.485 1.00 0.00 C ATOM 350 C GLU A 24 -2.644 11.986 10.814 1.00 0.00 C ATOM 351 O GLU A 24 -2.752 10.912 11.400 1.00 0.00 O ATOM 352 CB GLU A 24 -0.684 13.243 11.718 1.00 0.00 C ATOM 353 CG GLU A 24 0.683 13.856 11.474 1.00 0.00 C ATOM 354 CD GLU A 24 1.314 14.385 12.743 1.00 0.00 C ATOM 355 OE1 GLU A 24 0.918 15.476 13.201 1.00 0.00 O ATOM 356 OE2 GLU A 24 2.212 13.711 13.284 1.00 0.00 O ATOM 0 H GLU A 24 -1.489 14.483 9.670 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.615 11.757 10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.366 14.021 12.060 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.607 12.511 12.522 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.339 13.108 11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.590 14.667 10.752 1.00 0.00 H new ATOM 363 N GLY A 25 -3.687 12.704 10.418 1.00 0.00 N ATOM 364 CA GLY A 25 -5.037 12.211 10.589 1.00 0.00 C ATOM 365 C GLY A 25 -5.493 11.424 9.379 1.00 0.00 C ATOM 366 O GLY A 25 -6.647 11.516 8.959 1.00 0.00 O ATOM 0 H GLY A 25 -3.620 13.623 9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.086 11.579 11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.714 13.049 10.757 1.00 0.00 H new ATOM 370 N TYR A 26 -4.572 10.647 8.822 1.00 0.00 N ATOM 371 CA TYR A 26 -4.828 9.891 7.603 1.00 0.00 C ATOM 372 C TYR A 26 -5.875 8.802 7.829 1.00 0.00 C ATOM 373 O TYR A 26 -6.703 8.545 6.960 1.00 0.00 O ATOM 374 CB TYR A 26 -3.522 9.283 7.066 1.00 0.00 C ATOM 375 CG TYR A 26 -2.728 8.496 8.092 1.00 0.00 C ATOM 376 CD1 TYR A 26 -3.000 7.157 8.343 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.700 9.097 8.804 1.00 0.00 C ATOM 378 CE1 TYR A 26 -2.271 6.443 9.275 1.00 0.00 C ATOM 379 CE2 TYR A 26 -0.966 8.389 9.738 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.255 7.063 9.968 1.00 0.00 C ATOM 381 OH TYR A 26 -0.523 6.356 10.894 1.00 0.00 O ATOM 0 H TYR A 26 -3.633 10.524 9.200 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.226 10.581 6.859 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.758 8.628 6.227 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.895 10.085 6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.794 6.666 7.801 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.469 10.137 8.626 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.497 5.403 9.459 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.170 8.874 10.284 1.00 0.00 H new ATOM 0 HH TYR A 26 0.155 6.942 11.291 1.00 0.00 H new ATOM 391 N ALA A 27 -5.861 8.191 9.010 1.00 0.00 N ATOM 392 CA ALA A 27 -6.776 7.094 9.316 1.00 0.00 C ATOM 393 C ALA A 27 -8.213 7.587 9.427 1.00 0.00 C ATOM 394 O ALA A 27 -9.154 6.798 9.501 1.00 0.00 O ATOM 395 CB ALA A 27 -6.356 6.394 10.599 1.00 0.00 C ATOM 0 H ALA A 27 -5.227 8.436 9.771 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.728 6.380 8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.048 5.579 10.812 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.349 5.993 10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.369 7.107 11.424 1.00 0.00 H new ATOM 401 N GLU A 28 -8.371 8.901 9.434 1.00 0.00 N ATOM 402 CA GLU A 28 -9.684 9.514 9.521 1.00 0.00 C ATOM 403 C GLU A 28 -10.225 9.838 8.132 1.00 0.00 C ATOM 404 O GLU A 28 -11.358 10.303 7.990 1.00 0.00 O ATOM 405 CB GLU A 28 -9.602 10.778 10.375 1.00 0.00 C ATOM 406 CG GLU A 28 -9.186 10.499 11.808 1.00 0.00 C ATOM 407 CD GLU A 28 -8.792 11.749 12.559 1.00 0.00 C ATOM 408 OE1 GLU A 28 -9.687 12.502 12.989 1.00 0.00 O ATOM 409 OE2 GLU A 28 -7.579 11.982 12.736 1.00 0.00 O ATOM 0 H GLU A 28 -7.600 9.566 9.380 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.372 8.810 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.890 11.469 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.573 11.274 10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.008 10.011 12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.348 9.801 11.809 1.00 0.00 H new ATOM 416 N ASP A 29 -9.419 9.584 7.104 1.00 0.00 N ATOM 417 CA ASP A 29 -9.843 9.838 5.732 1.00 0.00 C ATOM 418 C ASP A 29 -10.688 8.686 5.207 1.00 0.00 C ATOM 419 O ASP A 29 -10.253 7.532 5.181 1.00 0.00 O ATOM 420 CB ASP A 29 -8.654 10.074 4.804 1.00 0.00 C ATOM 421 CG ASP A 29 -9.100 10.216 3.362 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.603 11.298 2.994 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.973 9.241 2.602 1.00 0.00 O ATOM 0 H ASP A 29 -8.476 9.205 7.195 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.445 10.747 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.122 10.974 5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.953 9.244 4.890 1.00 0.00 H new ATOM 428 N GLU A 30 -11.884 9.027 4.747 1.00 0.00 N ATOM 429 CA GLU A 30 -12.901 8.045 4.395 1.00 0.00 C ATOM 430 C GLU A 30 -12.445 7.188 3.225 1.00 0.00 C ATOM 431 O GLU A 30 -12.829 6.022 3.099 1.00 0.00 O ATOM 432 CB GLU A 30 -14.202 8.759 4.029 1.00 0.00 C ATOM 433 CG GLU A 30 -15.429 7.869 4.111 1.00 0.00 C ATOM 434 CD GLU A 30 -15.729 7.428 5.531 1.00 0.00 C ATOM 435 OE1 GLU A 30 -15.069 6.489 6.021 1.00 0.00 O ATOM 436 OE2 GLU A 30 -16.627 8.017 6.163 1.00 0.00 O ATOM 0 H GLU A 30 -12.177 9.994 4.607 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.066 7.397 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.338 9.612 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.117 9.154 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.290 8.404 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.279 6.990 3.484 1.00 0.00 H new ATOM 443 N LEU A 31 -11.613 7.770 2.382 1.00 0.00 N ATOM 444 CA LEU A 31 -11.138 7.098 1.202 1.00 0.00 C ATOM 445 C LEU A 31 -10.067 6.091 1.606 1.00 0.00 C ATOM 446 O LEU A 31 -10.000 4.983 1.070 1.00 0.00 O ATOM 447 CB LEU A 31 -10.621 8.147 0.209 1.00 0.00 C ATOM 448 CG LEU A 31 -10.286 7.657 -1.203 1.00 0.00 C ATOM 449 CD1 LEU A 31 -8.907 7.047 -1.229 1.00 0.00 C ATOM 450 CD2 LEU A 31 -11.320 6.653 -1.692 1.00 0.00 C ATOM 0 H LEU A 31 -11.253 8.717 2.501 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.937 6.545 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.370 8.934 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.725 8.602 0.632 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.305 8.515 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.681 6.702 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.173 7.794 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.870 6.203 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.058 6.321 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.340 5.795 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.303 7.123 -1.710 1.00 0.00 H new ATOM 462 N LEU A 32 -9.264 6.471 2.591 1.00 0.00 N ATOM 463 CA LEU A 32 -8.232 5.614 3.134 1.00 0.00 C ATOM 464 C LEU A 32 -8.866 4.423 3.833 1.00 0.00 C ATOM 465 O LEU A 32 -8.407 3.286 3.705 1.00 0.00 O ATOM 466 CB LEU A 32 -7.405 6.421 4.123 1.00 0.00 C ATOM 467 CG LEU A 32 -5.901 6.197 4.063 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.249 7.224 3.153 1.00 0.00 C ATOM 469 CD2 LEU A 32 -5.288 6.236 5.453 1.00 0.00 C ATOM 0 H LEU A 32 -9.315 7.388 3.034 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.592 5.244 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.603 7.480 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.749 6.188 5.131 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.719 5.206 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.173 7.051 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.662 7.134 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.444 8.226 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.213 6.073 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.478 7.208 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.733 5.454 6.069 1.00 0.00 H new ATOM 481 N LEU A 33 -9.951 4.699 4.545 1.00 0.00 N ATOM 482 CA LEU A 33 -10.634 3.690 5.333 1.00 0.00 C ATOM 483 C LEU A 33 -11.278 2.637 4.433 1.00 0.00 C ATOM 484 O LEU A 33 -11.059 1.437 4.615 1.00 0.00 O ATOM 485 CB LEU A 33 -11.697 4.368 6.204 1.00 0.00 C ATOM 486 CG LEU A 33 -12.044 3.658 7.518 1.00 0.00 C ATOM 487 CD1 LEU A 33 -12.763 2.341 7.270 1.00 0.00 C ATOM 488 CD2 LEU A 33 -10.790 3.433 8.347 1.00 0.00 C ATOM 0 H LEU A 33 -10.378 5.624 4.590 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.907 3.184 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.357 5.377 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.610 4.468 5.616 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.723 4.304 8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.993 1.867 8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.689 2.529 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.124 1.683 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.054 2.928 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.088 2.816 7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.327 4.393 8.575 1.00 0.00 H new ATOM 500 N ASN A 34 -12.027 3.075 3.427 1.00 0.00 N ATOM 501 CA ASN A 34 -12.758 2.128 2.595 1.00 0.00 C ATOM 502 C ASN A 34 -11.814 1.378 1.669 1.00 0.00 C ATOM 503 O ASN A 34 -12.026 0.202 1.396 1.00 0.00 O ATOM 504 CB ASN A 34 -13.892 2.799 1.796 1.00 0.00 C ATOM 505 CG ASN A 34 -13.437 3.483 0.517 1.00 0.00 C ATOM 506 OD1 ASN A 34 -13.313 2.848 -0.531 1.00 0.00 O ATOM 507 ND2 ASN A 34 -13.226 4.785 0.576 1.00 0.00 N ATOM 0 H ASN A 34 -12.143 4.056 3.172 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.226 1.411 3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.639 2.046 1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.383 3.535 2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.951 5.296 -0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.338 5.280 1.461 1.00 0.00 H new ATOM 514 N GLN A 35 -10.759 2.038 1.206 1.00 0.00 N ATOM 515 CA GLN A 35 -9.816 1.389 0.308 1.00 0.00 C ATOM 516 C GLN A 35 -9.054 0.295 1.055 1.00 0.00 C ATOM 517 O GLN A 35 -8.876 -0.813 0.540 1.00 0.00 O ATOM 518 CB GLN A 35 -8.861 2.417 -0.316 1.00 0.00 C ATOM 519 CG GLN A 35 -7.576 2.648 0.454 1.00 0.00 C ATOM 520 CD GLN A 35 -6.765 3.767 -0.142 1.00 0.00 C ATOM 521 OE1 GLN A 35 -5.881 3.537 -0.953 1.00 0.00 O ATOM 522 NE2 GLN A 35 -7.107 4.990 0.220 1.00 0.00 N ATOM 0 H GLN A 35 -10.538 3.007 1.434 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.367 0.923 -0.509 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.609 2.090 -1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.386 3.368 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.811 2.881 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.985 1.732 0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.853 5.130 0.902 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.626 5.794 -0.182 1.00 0.00 H new ATOM 531 N MET A 36 -8.659 0.589 2.293 1.00 0.00 N ATOM 532 CA MET A 36 -7.926 -0.372 3.101 1.00 0.00 C ATOM 533 C MET A 36 -8.878 -1.229 3.918 1.00 0.00 C ATOM 534 O MET A 36 -8.457 -1.985 4.787 1.00 0.00 O ATOM 535 CB MET A 36 -6.915 0.320 4.011 1.00 0.00 C ATOM 536 CG MET A 36 -5.808 1.021 3.245 1.00 0.00 C ATOM 537 SD MET A 36 -5.073 -0.032 1.979 1.00 0.00 S ATOM 538 CE MET A 36 -4.385 -1.355 2.968 1.00 0.00 C ATOM 0 H MET A 36 -8.835 1.482 2.753 1.00 0.00 H new ATOM 0 HA MET A 36 -7.374 -1.020 2.420 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.435 1.048 4.635 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.474 -0.417 4.682 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.207 1.921 2.778 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.034 1.340 3.942 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.327 -1.472 2.733 1.00 0.00 H new ATOM 0 HE2 MET A 36 -4.498 -1.115 4.025 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.911 -2.284 2.749 1.00 0.00 H new ATOM 548 N GLY A 37 -10.169 -1.055 3.680 1.00 0.00 N ATOM 549 CA GLY A 37 -11.139 -2.028 4.130 1.00 0.00 C ATOM 550 C GLY A 37 -11.440 -3.029 3.031 1.00 0.00 C ATOM 551 O GLY A 37 -11.785 -4.182 3.293 1.00 0.00 O ATOM 0 H GLY A 37 -10.562 -0.256 3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.759 -2.548 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.057 -1.523 4.430 1.00 0.00 H new ATOM 555 N LYS A 38 -11.293 -2.573 1.789 1.00 0.00 N ATOM 556 CA LYS A 38 -11.523 -3.406 0.613 1.00 0.00 C ATOM 557 C LYS A 38 -10.365 -4.360 0.355 1.00 0.00 C ATOM 558 O LYS A 38 -10.468 -5.560 0.602 1.00 0.00 O ATOM 559 CB LYS A 38 -11.715 -2.533 -0.623 1.00 0.00 C ATOM 560 CG LYS A 38 -13.014 -1.748 -0.635 1.00 0.00 C ATOM 561 CD LYS A 38 -13.114 -0.872 -1.872 1.00 0.00 C ATOM 562 CE LYS A 38 -14.421 -0.100 -1.909 1.00 0.00 C ATOM 563 NZ LYS A 38 -15.603 -1.001 -1.961 1.00 0.00 N ATOM 0 H LYS A 38 -11.012 -1.617 1.571 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.421 -3.991 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.881 -1.835 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.678 -3.165 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.858 -2.436 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.076 -1.128 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.278 -0.173 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.032 -1.492 -2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.490 0.537 -1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.429 0.557 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.447 -0.452 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.441 -1.745 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.748 -1.437 -1.028 1.00 0.00 H new ATOM 577 N VAL A 39 -9.253 -3.819 -0.130 1.00 0.00 N ATOM 578 CA VAL A 39 -8.129 -4.645 -0.564 1.00 0.00 C ATOM 579 C VAL A 39 -7.255 -5.025 0.623 1.00 0.00 C ATOM 580 O VAL A 39 -6.033 -4.884 0.598 1.00 0.00 O ATOM 581 CB VAL A 39 -7.281 -3.932 -1.643 1.00 0.00 C ATOM 582 CG1 VAL A 39 -8.067 -3.812 -2.940 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.828 -2.556 -1.170 1.00 0.00 C ATOM 0 H VAL A 39 -9.104 -2.815 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.541 -5.552 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.391 -4.535 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.457 -3.308 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.333 -4.807 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.975 -3.235 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.234 -2.080 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.701 -1.941 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.225 -2.662 -0.268 1.00 0.00 H new ATOM 593 N ASN A 40 -7.896 -5.530 1.659 1.00 0.00 N ATOM 594 CA ASN A 40 -7.222 -5.748 2.919 1.00 0.00 C ATOM 595 C ASN A 40 -7.684 -7.026 3.612 1.00 0.00 C ATOM 596 O ASN A 40 -6.951 -7.597 4.414 1.00 0.00 O ATOM 597 CB ASN A 40 -7.460 -4.540 3.810 1.00 0.00 C ATOM 598 CG ASN A 40 -6.705 -4.620 5.112 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.249 -5.001 6.149 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.433 -4.289 5.058 1.00 0.00 N ATOM 0 H ASN A 40 -8.881 -5.796 1.651 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.157 -5.872 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.163 -3.637 3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.526 -4.451 4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.856 -4.343 5.897 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.024 -3.979 4.177 1.00 0.00 H new ATOM 607 N ASP A 41 -8.887 -7.489 3.302 1.00 0.00 N ATOM 608 CA ASP A 41 -9.402 -8.693 3.947 1.00 0.00 C ATOM 609 C ASP A 41 -8.954 -9.930 3.183 1.00 0.00 C ATOM 610 O ASP A 41 -8.968 -11.040 3.711 1.00 0.00 O ATOM 611 CB ASP A 41 -10.931 -8.661 4.061 1.00 0.00 C ATOM 612 CG ASP A 41 -11.637 -9.036 2.774 1.00 0.00 C ATOM 613 OD1 ASP A 41 -11.800 -8.157 1.906 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.044 -10.211 2.627 1.00 0.00 O ATOM 0 H ASP A 41 -9.515 -7.061 2.622 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.996 -8.731 4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.244 -9.344 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.245 -7.661 4.361 1.00 0.00 H new ATOM 619 N THR A 42 -8.543 -9.724 1.940 1.00 0.00 N ATOM 620 CA THR A 42 -8.031 -10.802 1.103 1.00 0.00 C ATOM 621 C THR A 42 -6.730 -10.391 0.401 1.00 0.00 C ATOM 622 O THR A 42 -6.641 -10.421 -0.824 1.00 0.00 O ATOM 623 CB THR A 42 -9.083 -11.203 0.051 1.00 0.00 C ATOM 624 OG1 THR A 42 -9.783 -10.034 -0.398 1.00 0.00 O ATOM 625 CG2 THR A 42 -10.074 -12.208 0.620 1.00 0.00 C ATOM 0 H THR A 42 -8.554 -8.811 1.485 1.00 0.00 H new ATOM 0 HA THR A 42 -7.819 -11.654 1.749 1.00 0.00 H new ATOM 0 HB THR A 42 -8.568 -11.671 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.451 -10.290 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.804 -12.472 -0.145 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.541 -13.104 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.587 -11.768 1.475 1.00 0.00 H new ATOM 633 N PRO A 43 -5.696 -9.998 1.170 1.00 0.00 N ATOM 634 CA PRO A 43 -4.450 -9.480 0.629 1.00 0.00 C ATOM 635 C PRO A 43 -3.311 -10.498 0.620 1.00 0.00 C ATOM 636 O PRO A 43 -2.139 -10.113 0.638 1.00 0.00 O ATOM 637 CB PRO A 43 -4.155 -8.376 1.626 1.00 0.00 C ATOM 638 CG PRO A 43 -4.589 -8.952 2.939 1.00 0.00 C ATOM 639 CD PRO A 43 -5.646 -9.986 2.640 1.00 0.00 C ATOM 0 HA PRO A 43 -4.535 -9.179 -0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.096 -8.117 1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.704 -7.465 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.745 -9.403 3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.985 -8.173 3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.379 -10.963 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.609 -9.715 3.074 1.00 0.00 H new ATOM 647 N GLU A 44 -3.663 -11.786 0.613 1.00 0.00 N ATOM 648 CA GLU A 44 -2.686 -12.884 0.591 1.00 0.00 C ATOM 649 C GLU A 44 -1.930 -13.015 1.919 1.00 0.00 C ATOM 650 O GLU A 44 -1.970 -14.064 2.559 1.00 0.00 O ATOM 651 CB GLU A 44 -1.694 -12.700 -0.568 1.00 0.00 C ATOM 652 CG GLU A 44 -0.608 -13.766 -0.643 1.00 0.00 C ATOM 653 CD GLU A 44 -1.153 -15.133 -0.989 1.00 0.00 C ATOM 654 OE1 GLU A 44 -1.470 -15.366 -2.175 1.00 0.00 O ATOM 655 OE2 GLU A 44 -1.258 -15.986 -0.082 1.00 0.00 O ATOM 0 H GLU A 44 -4.633 -12.100 0.622 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.246 -13.807 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.248 -12.696 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.221 -11.723 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.130 -13.474 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.089 -13.818 0.314 1.00 0.00 H new ATOM 662 N GLU A 45 -1.257 -11.949 2.328 1.00 0.00 N ATOM 663 CA GLU A 45 -0.385 -11.994 3.497 1.00 0.00 C ATOM 664 C GLU A 45 -1.193 -12.055 4.804 1.00 0.00 C ATOM 665 O GLU A 45 -1.453 -13.140 5.323 1.00 0.00 O ATOM 666 CB GLU A 45 0.576 -10.797 3.484 1.00 0.00 C ATOM 667 CG GLU A 45 1.552 -10.784 4.647 1.00 0.00 C ATOM 668 CD GLU A 45 2.355 -9.502 4.735 1.00 0.00 C ATOM 669 OE1 GLU A 45 1.807 -8.486 5.219 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.544 -9.515 4.362 1.00 0.00 O ATOM 0 H GLU A 45 -1.297 -11.040 1.868 1.00 0.00 H new ATOM 0 HA GLU A 45 0.205 -12.909 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.138 -10.804 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.006 -9.875 3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.001 -10.925 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.235 -11.628 4.550 1.00 0.00 H new ATOM 677 N GLU A 46 -1.590 -10.902 5.336 1.00 0.00 N ATOM 678 CA GLU A 46 -2.396 -10.864 6.554 1.00 0.00 C ATOM 679 C GLU A 46 -3.648 -10.024 6.341 1.00 0.00 C ATOM 680 O GLU A 46 -4.645 -10.509 5.813 1.00 0.00 O ATOM 681 CB GLU A 46 -1.594 -10.315 7.738 1.00 0.00 C ATOM 682 CG GLU A 46 -0.448 -11.209 8.183 1.00 0.00 C ATOM 683 CD GLU A 46 0.305 -10.643 9.371 1.00 0.00 C ATOM 684 OE1 GLU A 46 1.134 -9.731 9.179 1.00 0.00 O ATOM 685 OE2 GLU A 46 0.073 -11.104 10.504 1.00 0.00 O ATOM 0 H GLU A 46 -1.369 -9.986 4.946 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.689 -11.888 6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.194 -9.337 7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.269 -10.163 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.839 -12.193 8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.243 -11.348 7.352 1.00 0.00 H new ATOM 692 N GLY A 47 -3.582 -8.755 6.727 1.00 0.00 N ATOM 693 CA GLY A 47 -4.695 -7.856 6.501 1.00 0.00 C ATOM 694 C GLY A 47 -4.629 -6.612 7.360 1.00 0.00 C ATOM 695 O GLY A 47 -4.147 -5.574 6.920 1.00 0.00 O ATOM 0 H GLY A 47 -2.778 -8.334 7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.714 -7.566 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.628 -8.382 6.703 1.00 0.00 H new ATOM 699 N MET A 48 -5.090 -6.711 8.591 1.00 0.00 N ATOM 700 CA MET A 48 -5.095 -5.569 9.495 1.00 0.00 C ATOM 701 C MET A 48 -3.702 -4.927 9.639 1.00 0.00 C ATOM 702 O MET A 48 -3.557 -3.708 9.461 1.00 0.00 O ATOM 703 CB MET A 48 -5.649 -5.971 10.864 1.00 0.00 C ATOM 704 CG MET A 48 -5.689 -4.821 11.844 1.00 0.00 C ATOM 705 SD MET A 48 -6.635 -3.430 11.219 1.00 0.00 S ATOM 706 CE MET A 48 -5.906 -2.139 12.204 1.00 0.00 C ATOM 0 H MET A 48 -5.467 -7.570 8.992 1.00 0.00 H new ATOM 0 HA MET A 48 -5.748 -4.815 9.055 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.655 -6.371 10.740 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.036 -6.772 11.277 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.124 -5.161 12.783 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.672 -4.497 12.063 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.371 -1.185 11.955 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.064 -2.354 13.261 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.836 -2.086 12.000 1.00 0.00 H new ATOM 716 N PRO A 49 -2.641 -5.718 9.913 1.00 0.00 N ATOM 717 CA PRO A 49 -1.301 -5.165 10.067 1.00 0.00 C ATOM 718 C PRO A 49 -0.795 -4.651 8.733 1.00 0.00 C ATOM 719 O PRO A 49 0.006 -3.725 8.673 1.00 0.00 O ATOM 720 CB PRO A 49 -0.465 -6.349 10.551 1.00 0.00 C ATOM 721 CG PRO A 49 -1.190 -7.550 10.060 1.00 0.00 C ATOM 722 CD PRO A 49 -2.643 -7.188 10.041 1.00 0.00 C ATOM 0 HA PRO A 49 -1.261 -4.323 10.758 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.548 -6.308 10.152 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.379 -6.355 11.638 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.847 -7.831 9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.011 -8.405 10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.162 -7.661 9.207 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.147 -7.509 10.953 1.00 0.00 H new ATOM 730 N LEU A 50 -1.304 -5.268 7.670 1.00 0.00 N ATOM 731 CA LEU A 50 -1.011 -4.868 6.306 1.00 0.00 C ATOM 732 C LEU A 50 -1.397 -3.424 6.075 1.00 0.00 C ATOM 733 O LEU A 50 -0.626 -2.642 5.540 1.00 0.00 O ATOM 734 CB LEU A 50 -1.789 -5.762 5.349 1.00 0.00 C ATOM 735 CG LEU A 50 -0.978 -6.849 4.679 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.885 -7.922 4.142 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.165 -6.263 3.548 1.00 0.00 C ATOM 0 H LEU A 50 -1.936 -6.066 7.737 1.00 0.00 H new ATOM 0 HA LEU A 50 0.060 -4.970 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.608 -6.228 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.237 -5.137 4.577 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.307 -7.287 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.287 -8.697 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.457 -8.359 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.569 -7.489 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.416 -7.052 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.834 -5.811 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.510 -5.503 3.941 1.00 0.00 H new ATOM 749 N ARG A 51 -2.586 -3.073 6.524 1.00 0.00 N ATOM 750 CA ARG A 51 -3.072 -1.711 6.416 1.00 0.00 C ATOM 751 C ARG A 51 -2.208 -0.781 7.244 1.00 0.00 C ATOM 752 O ARG A 51 -1.777 0.263 6.765 1.00 0.00 O ATOM 753 CB ARG A 51 -4.538 -1.658 6.847 1.00 0.00 C ATOM 754 CG ARG A 51 -5.001 -0.335 7.433 1.00 0.00 C ATOM 755 CD ARG A 51 -6.466 -0.408 7.827 1.00 0.00 C ATOM 756 NE ARG A 51 -6.870 0.693 8.696 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.098 0.827 9.194 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.057 -0.021 8.838 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.370 1.813 10.038 1.00 0.00 N ATOM 0 H ARG A 51 -3.238 -3.718 6.971 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.010 -1.377 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.161 -1.890 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.710 -2.442 7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.396 -0.086 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.854 0.463 6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.081 -0.400 6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.655 -1.354 8.334 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.173 1.399 8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.853 -0.776 8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.997 0.083 9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.638 2.471 10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.311 1.914 10.418 1.00 0.00 H new ATOM 773 N ALA A 52 -1.936 -1.182 8.471 1.00 0.00 N ATOM 774 CA ALA A 52 -1.116 -0.382 9.359 1.00 0.00 C ATOM 775 C ALA A 52 0.292 -0.165 8.794 1.00 0.00 C ATOM 776 O ALA A 52 0.757 0.970 8.729 1.00 0.00 O ATOM 777 CB ALA A 52 -1.041 -1.036 10.726 1.00 0.00 C ATOM 0 H ALA A 52 -2.271 -2.057 8.875 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.585 0.598 9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.423 -0.428 11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.044 -1.121 11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.602 -2.029 10.631 1.00 0.00 H new ATOM 783 N TRP A 53 0.961 -1.241 8.365 1.00 0.00 N ATOM 784 CA TRP A 53 2.337 -1.114 7.891 1.00 0.00 C ATOM 785 C TRP A 53 2.406 -0.463 6.516 1.00 0.00 C ATOM 786 O TRP A 53 3.267 0.378 6.275 1.00 0.00 O ATOM 787 CB TRP A 53 3.116 -2.453 7.945 1.00 0.00 C ATOM 788 CG TRP A 53 2.866 -3.473 6.853 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.200 -4.658 6.983 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.347 -3.441 5.498 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.221 -5.351 5.796 1.00 0.00 N ATOM 792 CE2 TRP A 53 2.916 -4.624 4.871 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.086 -2.524 4.749 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.207 -4.915 3.541 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.374 -2.813 3.431 1.00 0.00 C ATOM 796 CH2 TRP A 53 3.936 -4.001 2.838 1.00 0.00 C ATOM 0 H TRP A 53 0.580 -2.187 8.337 1.00 0.00 H new ATOM 0 HA TRP A 53 2.842 -0.444 8.587 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.181 -2.219 7.944 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.895 -2.928 8.901 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.724 -5.002 7.890 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.788 -6.260 5.632 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.427 -1.601 5.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.868 -5.832 3.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.948 -2.109 2.847 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.179 -4.199 1.804 1.00 0.00 H new ATOM 807 N VAL A 54 1.498 -0.837 5.623 1.00 0.00 N ATOM 808 CA VAL A 54 1.474 -0.275 4.278 1.00 0.00 C ATOM 809 C VAL A 54 1.242 1.231 4.329 1.00 0.00 C ATOM 810 O VAL A 54 2.003 2.002 3.744 1.00 0.00 O ATOM 811 CB VAL A 54 0.386 -0.951 3.420 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.100 -0.041 2.299 1.00 0.00 C ATOM 813 CG2 VAL A 54 0.895 -2.260 2.837 1.00 0.00 C ATOM 0 H VAL A 54 0.769 -1.527 5.805 1.00 0.00 H new ATOM 0 HA VAL A 54 2.444 -0.464 3.818 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.458 -1.156 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.866 -0.556 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.519 0.870 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.737 0.215 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.111 -2.720 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.766 -2.065 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.174 -2.935 3.646 1.00 0.00 H new ATOM 823 N ILE A 55 0.200 1.643 5.046 1.00 0.00 N ATOM 824 CA ILE A 55 -0.088 3.058 5.215 1.00 0.00 C ATOM 825 C ILE A 55 1.077 3.777 5.900 1.00 0.00 C ATOM 826 O ILE A 55 1.451 4.880 5.504 1.00 0.00 O ATOM 827 CB ILE A 55 -1.383 3.268 6.028 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.591 2.770 5.237 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.558 4.730 6.404 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.889 2.850 6.008 1.00 0.00 C ATOM 0 H ILE A 55 -0.454 1.018 5.516 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.227 3.484 4.221 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.306 2.690 6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.684 3.356 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.418 1.736 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.478 4.851 6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.710 5.055 7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.612 5.335 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.705 2.481 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.815 2.241 6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.084 3.886 6.285 1.00 0.00 H new ATOM 842 N LYS A 56 1.657 3.135 6.910 1.00 0.00 N ATOM 843 CA LYS A 56 2.764 3.725 7.655 1.00 0.00 C ATOM 844 C LYS A 56 3.971 3.938 6.744 1.00 0.00 C ATOM 845 O LYS A 56 4.528 5.033 6.686 1.00 0.00 O ATOM 846 CB LYS A 56 3.151 2.825 8.832 1.00 0.00 C ATOM 847 CG LYS A 56 3.395 3.572 10.134 1.00 0.00 C ATOM 848 CD LYS A 56 4.559 4.543 10.029 1.00 0.00 C ATOM 849 CE LYS A 56 4.808 5.253 11.349 1.00 0.00 C ATOM 850 NZ LYS A 56 5.948 6.203 11.264 1.00 0.00 N ATOM 0 H LYS A 56 1.379 2.207 7.231 1.00 0.00 H new ATOM 0 HA LYS A 56 2.441 4.693 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.360 2.092 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.052 2.270 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.493 4.117 10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.593 2.855 10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.458 4.005 9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.353 5.279 9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.908 5.792 11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.008 4.515 12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.291 6.420 12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.716 5.774 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.635 7.080 10.801 1.00 0.00 H new ATOM 864 N CYS A 57 4.354 2.893 6.018 1.00 0.00 N ATOM 865 CA CYS A 57 5.506 2.958 5.125 1.00 0.00 C ATOM 866 C CYS A 57 5.265 3.958 4.002 1.00 0.00 C ATOM 867 O CYS A 57 6.158 4.727 3.642 1.00 0.00 O ATOM 868 CB CYS A 57 5.813 1.579 4.542 1.00 0.00 C ATOM 869 SG CYS A 57 6.150 0.315 5.788 1.00 0.00 S ATOM 0 H CYS A 57 3.882 1.989 6.030 1.00 0.00 H new ATOM 0 HA CYS A 57 6.365 3.292 5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.969 1.257 3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.674 1.660 3.878 1.00 0.00 H new ATOM 0 HG CYS A 57 5.041 -0.018 6.380 1.00 0.00 H new ATOM 875 N ALA A 58 4.053 3.953 3.458 1.00 0.00 N ATOM 876 CA ALA A 58 3.680 4.896 2.415 1.00 0.00 C ATOM 877 C ALA A 58 3.752 6.322 2.940 1.00 0.00 C ATOM 878 O ALA A 58 4.217 7.226 2.249 1.00 0.00 O ATOM 879 CB ALA A 58 2.284 4.594 1.899 1.00 0.00 C ATOM 0 H ALA A 58 3.312 3.304 3.724 1.00 0.00 H new ATOM 0 HA ALA A 58 4.384 4.793 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.022 5.309 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.258 3.584 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.569 4.671 2.718 1.00 0.00 H new ATOM 885 N HIS A 59 3.298 6.508 4.174 1.00 0.00 N ATOM 886 CA HIS A 59 3.342 7.807 4.827 1.00 0.00 C ATOM 887 C HIS A 59 4.783 8.285 4.956 1.00 0.00 C ATOM 888 O HIS A 59 5.111 9.412 4.586 1.00 0.00 O ATOM 889 CB HIS A 59 2.690 7.721 6.214 1.00 0.00 C ATOM 890 CG HIS A 59 2.403 9.051 6.841 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.742 9.186 8.042 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.659 10.307 6.415 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.597 10.469 8.319 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.148 11.173 7.350 1.00 0.00 N ATOM 0 H HIS A 59 2.892 5.767 4.745 1.00 0.00 H new ATOM 0 HA HIS A 59 2.789 8.523 4.219 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.758 7.162 6.131 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.344 7.153 6.876 1.00 0.00 H new ATOM 0 HD1 HIS A 59 1.416 8.416 8.626 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.172 10.580 5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.109 10.874 9.193 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.188 12.191 7.303 1.00 0.00 H new ATOM 903 N GLU A 60 5.642 7.409 5.469 1.00 0.00 N ATOM 904 CA GLU A 60 7.046 7.742 5.668 1.00 0.00 C ATOM 905 C GLU A 60 7.721 8.064 4.343 1.00 0.00 C ATOM 906 O GLU A 60 8.438 9.052 4.233 1.00 0.00 O ATOM 907 CB GLU A 60 7.783 6.591 6.354 1.00 0.00 C ATOM 908 CG GLU A 60 7.193 6.207 7.697 1.00 0.00 C ATOM 909 CD GLU A 60 7.096 7.376 8.653 1.00 0.00 C ATOM 910 OE1 GLU A 60 8.064 7.622 9.402 1.00 0.00 O ATOM 911 OE2 GLU A 60 6.042 8.041 8.681 1.00 0.00 O ATOM 0 H GLU A 60 5.389 6.463 5.754 1.00 0.00 H new ATOM 0 HA GLU A 60 7.090 8.623 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.770 5.720 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.828 6.870 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.200 5.785 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.805 5.426 8.147 1.00 0.00 H new ATOM 918 N ALA A 61 7.477 7.233 3.338 1.00 0.00 N ATOM 919 CA ALA A 61 8.076 7.424 2.025 1.00 0.00 C ATOM 920 C ALA A 61 7.603 8.727 1.390 1.00 0.00 C ATOM 921 O ALA A 61 8.402 9.493 0.853 1.00 0.00 O ATOM 922 CB ALA A 61 7.751 6.247 1.118 1.00 0.00 C ATOM 0 H ALA A 61 6.867 6.419 3.408 1.00 0.00 H new ATOM 0 HA ALA A 61 9.157 7.482 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.206 6.405 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.144 5.330 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.670 6.162 1.006 1.00 0.00 H new ATOM 928 N LEU A 62 6.301 8.981 1.482 1.00 0.00 N ATOM 929 CA LEU A 62 5.701 10.178 0.905 1.00 0.00 C ATOM 930 C LEU A 62 6.300 11.431 1.535 1.00 0.00 C ATOM 931 O LEU A 62 6.675 12.357 0.834 1.00 0.00 O ATOM 932 CB LEU A 62 4.172 10.123 1.093 1.00 0.00 C ATOM 933 CG LEU A 62 3.318 11.209 0.406 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.466 12.567 1.078 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.656 11.305 -1.073 1.00 0.00 C ATOM 0 H LEU A 62 5.637 8.368 1.955 1.00 0.00 H new ATOM 0 HA LEU A 62 5.916 10.218 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.827 9.152 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.965 10.163 2.163 1.00 0.00 H new ATOM 0 HG LEU A 62 2.275 10.909 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.847 13.299 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.149 12.495 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.509 12.881 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.042 12.077 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.709 11.560 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.459 10.347 -1.554 1.00 0.00 H new ATOM 947 N GLU A 63 6.412 11.441 2.853 1.00 0.00 N ATOM 948 CA GLU A 63 6.929 12.605 3.564 1.00 0.00 C ATOM 949 C GLU A 63 8.455 12.696 3.463 1.00 0.00 C ATOM 950 O GLU A 63 9.021 13.787 3.541 1.00 0.00 O ATOM 951 CB GLU A 63 6.493 12.552 5.029 1.00 0.00 C ATOM 952 CG GLU A 63 5.010 12.831 5.237 1.00 0.00 C ATOM 953 CD GLU A 63 4.690 14.310 5.232 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.517 14.891 4.140 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.609 14.899 6.331 1.00 0.00 O ATOM 0 H GLU A 63 6.153 10.659 3.454 1.00 0.00 H new ATOM 0 HA GLU A 63 6.517 13.499 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.729 11.568 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.074 13.278 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.437 12.336 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.692 12.397 6.185 1.00 0.00 H new ATOM 962 N LYS A 64 9.119 11.553 3.299 1.00 0.00 N ATOM 963 CA LYS A 64 10.571 11.526 3.130 1.00 0.00 C ATOM 964 C LYS A 64 10.956 12.247 1.843 1.00 0.00 C ATOM 965 O LYS A 64 11.818 13.124 1.842 1.00 0.00 O ATOM 966 CB LYS A 64 11.083 10.074 3.115 1.00 0.00 C ATOM 967 CG LYS A 64 12.604 9.926 3.086 1.00 0.00 C ATOM 968 CD LYS A 64 13.171 10.026 1.676 1.00 0.00 C ATOM 969 CE LYS A 64 14.679 9.813 1.655 1.00 0.00 C ATOM 970 NZ LYS A 64 15.412 10.867 2.407 1.00 0.00 N ATOM 0 H LYS A 64 8.675 10.635 3.280 1.00 0.00 H new ATOM 0 HA LYS A 64 11.036 12.041 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.700 9.560 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.667 9.567 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.053 10.698 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.881 8.965 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.690 9.284 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.937 11.005 1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.911 8.838 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.027 9.799 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.435 10.747 2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.123 11.804 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.191 10.788 3.420 1.00 0.00 H new ATOM 984 N ASN A 65 10.302 11.879 0.756 1.00 0.00 N ATOM 985 CA ASN A 65 10.526 12.525 -0.526 1.00 0.00 C ATOM 986 C ASN A 65 9.188 12.917 -1.153 1.00 0.00 C ATOM 987 O ASN A 65 8.702 12.274 -2.083 1.00 0.00 O ATOM 988 CB ASN A 65 11.379 11.640 -1.467 1.00 0.00 C ATOM 989 CG ASN A 65 10.944 10.175 -1.562 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.649 9.921 -1.593 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.784 9.277 -1.653 1.00 0.00 N flip ATOM 0 H ASN A 65 9.608 11.132 0.735 1.00 0.00 H new ATOM 0 HA ASN A 65 11.100 13.437 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.356 12.074 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.415 11.673 -1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.778 9.504 -1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.485 8.307 -1.755 1.00 0.00 H new ATOM 998 N PRO A 66 8.576 13.998 -0.639 1.00 0.00 N ATOM 999 CA PRO A 66 7.226 14.433 -1.036 1.00 0.00 C ATOM 1000 C PRO A 66 7.178 15.051 -2.434 1.00 0.00 C ATOM 1001 O PRO A 66 6.509 16.057 -2.669 1.00 0.00 O ATOM 1002 CB PRO A 66 6.869 15.459 0.041 1.00 0.00 C ATOM 1003 CG PRO A 66 8.177 16.027 0.458 1.00 0.00 C ATOM 1004 CD PRO A 66 9.153 14.886 0.391 1.00 0.00 C ATOM 0 HA PRO A 66 6.528 13.598 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.207 16.231 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.353 14.992 0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.479 16.841 -0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.123 16.438 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.150 15.227 0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.245 14.380 1.352 1.00 0.00 H new ATOM 1012 N LYS A 67 7.895 14.424 -3.353 1.00 0.00 N ATOM 1013 CA LYS A 67 7.904 14.818 -4.750 1.00 0.00 C ATOM 1014 C LYS A 67 7.529 13.620 -5.617 1.00 0.00 C ATOM 1015 O LYS A 67 7.445 13.722 -6.842 1.00 0.00 O ATOM 1016 CB LYS A 67 9.291 15.336 -5.139 1.00 0.00 C ATOM 1017 CG LYS A 67 9.692 16.608 -4.409 1.00 0.00 C ATOM 1018 CD LYS A 67 11.125 17.018 -4.720 1.00 0.00 C ATOM 1019 CE LYS A 67 12.131 16.025 -4.155 1.00 0.00 C ATOM 1020 NZ LYS A 67 13.532 16.451 -4.399 1.00 0.00 N ATOM 0 H LYS A 67 8.491 13.622 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 67 7.178 15.616 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.030 14.561 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.313 15.521 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.015 17.415 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.583 16.459 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.256 17.094 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.318 18.007 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.968 15.914 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.966 15.046 -4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.184 15.747 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.697 16.532 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.698 17.373 -3.947 1.00 0.00 H new ATOM 1034 N ILE A 68 7.301 12.487 -4.959 1.00 0.00 N ATOM 1035 CA ILE A 68 6.985 11.242 -5.648 1.00 0.00 C ATOM 1036 C ILE A 68 5.509 11.162 -5.998 1.00 0.00 C ATOM 1037 O ILE A 68 4.749 12.106 -5.780 1.00 0.00 O ATOM 1038 CB ILE A 68 7.348 10.006 -4.801 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.580 10.014 -3.467 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.848 9.949 -4.574 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.729 8.733 -2.677 1.00 0.00 C ATOM 0 H ILE A 68 7.330 12.407 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 68 7.583 11.242 -6.559 1.00 0.00 H new ATOM 0 HB ILE A 68 7.052 9.109 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.931 10.849 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.523 10.187 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.092 9.072 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.359 9.886 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.171 10.848 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.162 8.810 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.351 7.897 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.781 8.568 -2.446 1.00 0.00 H new ATOM 1053 N ARG A 69 5.116 10.018 -6.532 1.00 0.00 N ATOM 1054 CA ARG A 69 3.738 9.804 -6.951 1.00 0.00 C ATOM 1055 C ARG A 69 3.280 8.377 -6.674 1.00 0.00 C ATOM 1056 O ARG A 69 2.086 8.100 -6.681 1.00 0.00 O ATOM 1057 CB ARG A 69 3.566 10.120 -8.436 1.00 0.00 C ATOM 1058 CG ARG A 69 4.590 9.449 -9.334 1.00 0.00 C ATOM 1059 CD ARG A 69 4.043 9.259 -10.736 1.00 0.00 C ATOM 1060 NE ARG A 69 2.982 8.255 -10.759 1.00 0.00 N ATOM 1061 CZ ARG A 69 1.745 8.469 -11.199 1.00 0.00 C ATOM 1062 NH1 ARG A 69 1.382 9.661 -11.653 1.00 0.00 N ATOM 1063 NH2 ARG A 69 0.871 7.478 -11.177 1.00 0.00 N ATOM 0 H ARG A 69 5.732 9.220 -6.687 1.00 0.00 H new ATOM 0 HA ARG A 69 3.117 10.482 -6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.568 9.814 -8.749 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.627 11.199 -8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.496 10.053 -9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.869 8.482 -8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.658 10.207 -11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.848 8.956 -11.405 1.00 0.00 H new ATOM 0 HE ARG A 69 3.206 7.322 -10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.055 10.428 -11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.430 9.811 -11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.148 6.561 -10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.081 7.630 -11.512 1.00 0.00 H new ATOM 1077 N GLU A 70 4.224 7.464 -6.470 1.00 0.00 N ATOM 1078 CA GLU A 70 3.885 6.093 -6.118 1.00 0.00 C ATOM 1079 C GLU A 70 5.107 5.341 -5.597 1.00 0.00 C ATOM 1080 O GLU A 70 6.246 5.728 -5.866 1.00 0.00 O ATOM 1081 CB GLU A 70 3.272 5.374 -7.324 1.00 0.00 C ATOM 1082 CG GLU A 70 4.142 5.402 -8.571 1.00 0.00 C ATOM 1083 CD GLU A 70 3.461 4.782 -9.774 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.553 5.425 -10.344 1.00 0.00 O ATOM 1085 OE2 GLU A 70 3.836 3.657 -10.164 1.00 0.00 O ATOM 0 H GLU A 70 5.225 7.649 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 70 3.147 6.116 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.076 4.336 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.310 5.830 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.407 6.434 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.073 4.871 -8.372 1.00 0.00 H new ATOM 1092 N VAL A 71 4.861 4.281 -4.836 1.00 0.00 N ATOM 1093 CA VAL A 71 5.927 3.443 -4.301 1.00 0.00 C ATOM 1094 C VAL A 71 5.577 1.970 -4.477 1.00 0.00 C ATOM 1095 O VAL A 71 4.400 1.601 -4.575 1.00 0.00 O ATOM 1096 CB VAL A 71 6.211 3.726 -2.806 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.804 5.112 -2.617 1.00 0.00 C ATOM 1098 CG2 VAL A 71 4.953 3.570 -1.970 1.00 0.00 C ATOM 0 H VAL A 71 3.923 3.980 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 71 6.830 3.685 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 71 6.940 2.991 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.994 5.285 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.740 5.186 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.104 5.861 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.183 3.775 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.195 4.271 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.576 2.552 -2.066 1.00 0.00 H new ATOM 1108 N TYR A 72 6.596 1.131 -4.516 1.00 0.00 N ATOM 1109 CA TYR A 72 6.403 -0.282 -4.780 1.00 0.00 C ATOM 1110 C TYR A 72 6.715 -1.097 -3.534 1.00 0.00 C ATOM 1111 O TYR A 72 7.845 -1.099 -3.040 1.00 0.00 O ATOM 1112 CB TYR A 72 7.274 -0.703 -5.966 1.00 0.00 C ATOM 1113 CG TYR A 72 7.039 0.168 -7.182 1.00 0.00 C ATOM 1114 CD1 TYR A 72 5.956 -0.059 -8.017 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.874 1.242 -7.470 1.00 0.00 C ATOM 1116 CE1 TYR A 72 5.712 0.751 -9.108 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.632 2.063 -8.556 1.00 0.00 C ATOM 1118 CZ TYR A 72 6.550 1.811 -9.373 1.00 0.00 C ATOM 1119 OH TYR A 72 6.293 2.631 -10.448 1.00 0.00 O ATOM 0 H TYR A 72 7.567 1.405 -4.368 1.00 0.00 H new ATOM 0 HA TYR A 72 5.361 -0.470 -5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.325 -0.651 -5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.064 -1.742 -6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.291 -0.885 -7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.725 1.438 -6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.867 0.554 -9.751 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.287 2.897 -8.763 1.00 0.00 H new ATOM 0 HH TYR A 72 5.461 3.124 -10.292 1.00 0.00 H new ATOM 1129 N LEU A 73 5.702 -1.777 -3.021 1.00 0.00 N ATOM 1130 CA LEU A 73 5.828 -2.491 -1.763 1.00 0.00 C ATOM 1131 C LEU A 73 5.854 -3.997 -1.947 1.00 0.00 C ATOM 1132 O LEU A 73 5.119 -4.565 -2.759 1.00 0.00 O ATOM 1133 CB LEU A 73 4.692 -2.110 -0.813 1.00 0.00 C ATOM 1134 CG LEU A 73 4.926 -0.839 -0.001 1.00 0.00 C ATOM 1135 CD1 LEU A 73 3.741 -0.565 0.909 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.206 -0.969 0.810 1.00 0.00 C ATOM 0 H LEU A 73 4.783 -1.849 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 73 6.784 -2.195 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.778 -1.988 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.523 -2.937 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 73 5.031 0.003 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.924 0.345 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.841 -0.440 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.606 -1.403 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.366 -0.058 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.122 -1.818 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.049 -1.125 0.137 1.00 0.00 H new ATOM 1148 N LYS A 74 6.708 -4.627 -1.166 1.00 0.00 N ATOM 1149 CA LYS A 74 6.807 -6.069 -1.113 1.00 0.00 C ATOM 1150 C LYS A 74 6.535 -6.526 0.319 1.00 0.00 C ATOM 1151 O LYS A 74 7.259 -6.135 1.237 1.00 0.00 O ATOM 1152 CB LYS A 74 8.204 -6.509 -1.561 1.00 0.00 C ATOM 1153 CG LYS A 74 8.424 -8.014 -1.537 1.00 0.00 C ATOM 1154 CD LYS A 74 7.553 -8.733 -2.554 1.00 0.00 C ATOM 1155 CE LYS A 74 7.812 -10.226 -2.543 1.00 0.00 C ATOM 1156 NZ LYS A 74 9.219 -10.546 -2.906 1.00 0.00 N ATOM 0 H LYS A 74 7.359 -4.146 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 74 6.075 -6.521 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.380 -6.144 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.945 -6.035 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.473 -8.230 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.207 -8.396 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.502 -8.542 -2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.749 -8.335 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.592 -10.626 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.136 -10.717 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.335 -11.578 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.447 -10.114 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.859 -10.170 -2.178 1.00 0.00 H new ATOM 1170 N PRO A 75 5.447 -7.305 0.518 1.00 0.00 N ATOM 1171 CA PRO A 75 5.039 -7.856 1.814 1.00 0.00 C ATOM 1172 C PRO A 75 6.193 -8.205 2.747 1.00 0.00 C ATOM 1173 O PRO A 75 7.245 -8.683 2.316 1.00 0.00 O ATOM 1174 CB PRO A 75 4.314 -9.132 1.408 1.00 0.00 C ATOM 1175 CG PRO A 75 3.720 -8.840 0.074 1.00 0.00 C ATOM 1176 CD PRO A 75 4.484 -7.684 -0.525 1.00 0.00 C ATOM 0 HA PRO A 75 4.453 -7.131 2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.002 -9.976 1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.543 -9.394 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.782 -9.715 -0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.663 -8.591 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.989 -7.976 -1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.821 -6.856 -0.774 1.00 0.00 H new ATOM 1184 N ARG A 76 5.961 -7.974 4.040 1.00 0.00 N ATOM 1185 CA ARG A 76 6.932 -8.301 5.075 1.00 0.00 C ATOM 1186 C ARG A 76 7.162 -9.799 5.091 1.00 0.00 C ATOM 1187 O ARG A 76 8.259 -10.271 5.395 1.00 0.00 O ATOM 1188 CB ARG A 76 6.441 -7.840 6.449 1.00 0.00 C ATOM 1189 CG ARG A 76 6.117 -6.356 6.524 1.00 0.00 C ATOM 1190 CD ARG A 76 5.709 -5.942 7.932 1.00 0.00 C ATOM 1191 NE ARG A 76 4.546 -6.690 8.413 1.00 0.00 N ATOM 1192 CZ ARG A 76 3.869 -6.388 9.521 1.00 0.00 C ATOM 1193 NH1 ARG A 76 4.226 -5.351 10.263 1.00 0.00 N ATOM 1194 NH2 ARG A 76 2.829 -7.126 9.886 1.00 0.00 N ATOM 0 H ARG A 76 5.100 -7.558 4.394 1.00 0.00 H new ATOM 0 HA ARG A 76 7.866 -7.784 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.551 -8.410 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.203 -8.073 7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.986 -5.777 6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.311 -6.123 5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.546 -6.099 8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.484 -4.876 7.944 1.00 0.00 H new ATOM 0 HE ARG A 76 4.234 -7.493 7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.023 -4.778 9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.704 -5.126 11.110 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.547 -7.925 9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.312 -6.894 10.734 1.00 0.00 H new ATOM 1208 N ALA A 77 6.113 -10.544 4.761 1.00 0.00 N ATOM 1209 CA ALA A 77 6.223 -11.976 4.569 1.00 0.00 C ATOM 1210 C ALA A 77 6.765 -12.250 3.171 1.00 0.00 C ATOM 1211 O ALA A 77 6.053 -12.730 2.285 1.00 0.00 O ATOM 1212 CB ALA A 77 4.878 -12.656 4.778 1.00 0.00 C ATOM 0 H ALA A 77 5.173 -10.172 4.621 1.00 0.00 H new ATOM 0 HA ALA A 77 6.912 -12.388 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.986 -13.730 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.527 -12.464 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.156 -12.261 4.063 1.00 0.00 H new ATOM 1218 N VAL A 78 8.038 -11.918 2.984 1.00 0.00 N ATOM 1219 CA VAL A 78 8.705 -12.057 1.693 1.00 0.00 C ATOM 1220 C VAL A 78 8.663 -13.505 1.210 1.00 0.00 C ATOM 1221 O VAL A 78 8.737 -13.774 0.010 1.00 0.00 O ATOM 1222 CB VAL A 78 10.173 -11.579 1.771 1.00 0.00 C ATOM 1223 CG1 VAL A 78 10.812 -11.548 0.390 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.258 -10.209 2.428 1.00 0.00 C ATOM 0 H VAL A 78 8.636 -11.545 3.721 1.00 0.00 H new ATOM 0 HA VAL A 78 8.169 -11.430 0.980 1.00 0.00 H new ATOM 0 HB VAL A 78 10.725 -12.291 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.844 -11.208 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.793 -12.549 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.257 -10.865 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.300 -9.891 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.684 -9.489 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.851 -10.264 3.438 1.00 0.00 H new ATOM 1234 N LYS A 79 8.499 -14.428 2.159 1.00 0.00 N ATOM 1235 CA LYS A 79 8.426 -15.856 1.859 1.00 0.00 C ATOM 1236 C LYS A 79 7.291 -16.166 0.883 1.00 0.00 C ATOM 1237 O LYS A 79 7.335 -17.170 0.166 1.00 0.00 O ATOM 1238 CB LYS A 79 8.240 -16.661 3.150 1.00 0.00 C ATOM 1239 CG LYS A 79 8.370 -18.165 2.956 1.00 0.00 C ATOM 1240 CD LYS A 79 8.197 -18.922 4.264 1.00 0.00 C ATOM 1241 CE LYS A 79 9.243 -18.522 5.294 1.00 0.00 C ATOM 1242 NZ LYS A 79 10.631 -18.760 4.816 1.00 0.00 N ATOM 0 H LYS A 79 8.414 -14.207 3.151 1.00 0.00 H new ATOM 0 HA LYS A 79 9.365 -16.144 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.978 -16.333 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.257 -16.441 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.623 -18.505 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.347 -18.393 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.201 -18.731 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.265 -19.993 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.122 -17.467 5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.077 -19.084 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.296 -18.634 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.710 -19.729 4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.859 -18.083 4.060 1.00 0.00 H new ATOM 1256 N ASN A 80 6.287 -15.292 0.837 1.00 0.00 N ATOM 1257 CA ASN A 80 5.159 -15.478 -0.071 1.00 0.00 C ATOM 1258 C ASN A 80 5.638 -15.460 -1.513 1.00 0.00 C ATOM 1259 O ASN A 80 5.117 -16.190 -2.359 1.00 0.00 O ATOM 1260 CB ASN A 80 4.115 -14.380 0.099 1.00 0.00 C ATOM 1261 CG ASN A 80 3.369 -14.453 1.406 1.00 0.00 C ATOM 1262 OD1 ASN A 80 3.168 -15.529 1.970 1.00 0.00 O ATOM 1263 ND2 ASN A 80 2.940 -13.305 1.893 1.00 0.00 N ATOM 0 H ASN A 80 6.232 -14.453 1.415 1.00 0.00 H new ATOM 0 HA ASN A 80 4.708 -16.440 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.605 -13.409 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.400 -14.440 -0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.419 -13.286 2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.129 -12.436 1.393 1.00 0.00 H new ATOM 1270 N SER A 81 6.639 -14.609 -1.768 1.00 0.00 N ATOM 1271 CA SER A 81 7.291 -14.492 -3.074 1.00 0.00 C ATOM 1272 C SER A 81 6.388 -13.825 -4.117 1.00 0.00 C ATOM 1273 O SER A 81 6.748 -12.793 -4.688 1.00 0.00 O ATOM 1274 CB SER A 81 7.758 -15.867 -3.562 1.00 0.00 C ATOM 1275 OG SER A 81 8.556 -16.510 -2.579 1.00 0.00 O ATOM 0 H SER A 81 7.022 -13.977 -1.065 1.00 0.00 H new ATOM 0 HA SER A 81 8.160 -13.846 -2.946 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.893 -16.487 -3.796 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.329 -15.755 -4.484 1.00 0.00 H new ATOM 0 HG SER A 81 7.998 -16.748 -1.809 1.00 0.00 H new ATOM 1281 N SER A 82 5.215 -14.393 -4.343 1.00 0.00 N ATOM 1282 CA SER A 82 4.344 -13.951 -5.421 1.00 0.00 C ATOM 1283 C SER A 82 3.273 -12.969 -4.938 1.00 0.00 C ATOM 1284 O SER A 82 2.078 -13.180 -5.146 1.00 0.00 O ATOM 1285 CB SER A 82 3.698 -15.177 -6.071 1.00 0.00 C ATOM 1286 OG SER A 82 4.683 -16.122 -6.456 1.00 0.00 O ATOM 0 H SER A 82 4.842 -15.166 -3.791 1.00 0.00 H new ATOM 0 HA SER A 82 4.949 -13.415 -6.152 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.999 -15.638 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.122 -14.870 -6.944 1.00 0.00 H new ATOM 0 HG SER A 82 4.249 -16.898 -6.868 1.00 0.00 H new ATOM 1292 N VAL A 83 3.709 -11.895 -4.290 1.00 0.00 N ATOM 1293 CA VAL A 83 2.812 -10.809 -3.904 1.00 0.00 C ATOM 1294 C VAL A 83 3.492 -9.477 -4.100 1.00 0.00 C ATOM 1295 O VAL A 83 4.649 -9.308 -3.712 1.00 0.00 O ATOM 1296 CB VAL A 83 2.359 -10.862 -2.432 1.00 0.00 C ATOM 1297 CG1 VAL A 83 0.852 -10.960 -2.338 1.00 0.00 C ATOM 1298 CG2 VAL A 83 3.038 -11.980 -1.675 1.00 0.00 C ATOM 0 H VAL A 83 4.682 -11.752 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 83 1.936 -10.928 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 83 2.665 -9.930 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.554 -10.996 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.400 -10.089 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.514 -11.865 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.691 -11.983 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.796 -12.935 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.117 -11.830 -1.695 1.00 0.00 H new ATOM 1308 N GLN A 84 2.785 -8.537 -4.692 1.00 0.00 N ATOM 1309 CA GLN A 84 3.288 -7.184 -4.793 1.00 0.00 C ATOM 1310 C GLN A 84 2.189 -6.197 -4.452 1.00 0.00 C ATOM 1311 O GLN A 84 1.017 -6.424 -4.760 1.00 0.00 O ATOM 1312 CB GLN A 84 3.842 -6.864 -6.189 1.00 0.00 C ATOM 1313 CG GLN A 84 4.926 -7.814 -6.687 1.00 0.00 C ATOM 1314 CD GLN A 84 4.368 -9.082 -7.315 1.00 0.00 C ATOM 1315 OE1 GLN A 84 3.201 -8.978 -7.931 1.00 0.00 O flip ATOM 1316 NE2 GLN A 84 4.993 -10.142 -7.264 1.00 0.00 N flip ATOM 0 H GLN A 84 1.865 -8.684 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 84 4.110 -7.097 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.017 -6.873 -6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.244 -5.851 -6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.546 -7.296 -7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.575 -8.084 -5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.890 -10.182 -6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.614 -10.979 -7.706 1.00 0.00 H new ATOM 1325 N PHE A 85 2.564 -5.115 -3.802 1.00 0.00 N ATOM 1326 CA PHE A 85 1.627 -4.061 -3.474 1.00 0.00 C ATOM 1327 C PHE A 85 2.029 -2.774 -4.173 1.00 0.00 C ATOM 1328 O PHE A 85 3.153 -2.293 -4.026 1.00 0.00 O ATOM 1329 CB PHE A 85 1.560 -3.836 -1.963 1.00 0.00 C ATOM 1330 CG PHE A 85 0.741 -4.853 -1.213 1.00 0.00 C ATOM 1331 CD1 PHE A 85 1.155 -6.171 -1.117 1.00 0.00 C ATOM 1332 CD2 PHE A 85 -0.443 -4.481 -0.594 1.00 0.00 C ATOM 1333 CE1 PHE A 85 0.405 -7.101 -0.419 1.00 0.00 C ATOM 1334 CE2 PHE A 85 -1.195 -5.405 0.106 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.772 -6.717 0.194 1.00 0.00 C ATOM 0 H PHE A 85 3.519 -4.942 -3.488 1.00 0.00 H new ATOM 0 HA PHE A 85 0.638 -4.365 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.574 -3.839 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.146 -2.845 -1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.075 -6.477 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.781 -3.457 -0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.739 -8.126 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.114 -5.101 0.585 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.359 -7.440 0.740 1.00 0.00 H new ATOM 1345 N HIS A 86 1.111 -2.229 -4.940 1.00 0.00 N ATOM 1346 CA HIS A 86 1.349 -0.987 -5.648 1.00 0.00 C ATOM 1347 C HIS A 86 0.681 0.161 -4.920 1.00 0.00 C ATOM 1348 O HIS A 86 -0.538 0.323 -4.984 1.00 0.00 O ATOM 1349 CB HIS A 86 0.833 -1.066 -7.088 1.00 0.00 C ATOM 1350 CG HIS A 86 1.785 -1.728 -8.029 1.00 0.00 C ATOM 1351 ND1 HIS A 86 1.636 -3.019 -8.481 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.914 -1.262 -8.607 1.00 0.00 C ATOM 1353 CE1 HIS A 86 2.631 -3.317 -9.292 1.00 0.00 C ATOM 1354 NE2 HIS A 86 3.421 -2.267 -9.387 1.00 0.00 N ATOM 0 H HIS A 86 0.185 -2.629 -5.091 1.00 0.00 H new ATOM 0 HA HIS A 86 2.425 -0.815 -5.681 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.111 -1.610 -7.097 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.624 -0.058 -7.446 1.00 0.00 H new ATOM 0 HD1 HIS A 86 0.874 -3.648 -8.228 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.339 -0.277 -8.478 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.775 -4.262 -9.794 1.00 0.00 H new ATOM 1363 N VAL A 87 1.476 0.950 -4.216 1.00 0.00 N ATOM 1364 CA VAL A 87 0.948 2.091 -3.502 1.00 0.00 C ATOM 1365 C VAL A 87 1.104 3.336 -4.349 1.00 0.00 C ATOM 1366 O VAL A 87 2.213 3.800 -4.600 1.00 0.00 O ATOM 1367 CB VAL A 87 1.645 2.290 -2.144 1.00 0.00 C ATOM 1368 CG1 VAL A 87 1.177 3.575 -1.481 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.392 1.098 -1.237 1.00 0.00 C ATOM 0 H VAL A 87 2.484 0.819 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.108 1.905 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 87 2.718 2.369 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.683 3.695 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.412 4.423 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.100 3.530 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.892 1.255 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.320 0.987 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.782 0.195 -1.706 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.012 3.866 -4.789 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.019 5.004 -5.679 1.00 0.00 C ATOM 1381 C ILE A 88 -0.607 6.214 -4.979 1.00 0.00 C ATOM 1382 O ILE A 88 -1.552 6.094 -4.201 1.00 0.00 O ATOM 1383 CB ILE A 88 -0.816 4.683 -6.953 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.185 3.482 -7.658 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -0.868 5.885 -7.884 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -0.992 2.970 -8.825 1.00 0.00 C ATOM 0 H ILE A 88 -0.940 3.522 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 88 1.009 5.231 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.841 4.439 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.809 3.759 -8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.055 2.676 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.438 5.629 -8.777 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.348 6.720 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.145 6.168 -8.169 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.482 2.118 -9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.978 2.661 -8.478 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.101 3.761 -9.567 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.043 7.371 -5.255 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.472 8.592 -4.621 1.00 0.00 C ATOM 1400 C PHE A 89 -1.353 9.391 -5.567 1.00 0.00 C ATOM 1401 O PHE A 89 -0.894 9.901 -6.596 1.00 0.00 O ATOM 1402 CB PHE A 89 0.741 9.393 -4.179 1.00 0.00 C ATOM 1403 CG PHE A 89 1.452 8.698 -3.073 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.840 8.560 -1.843 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.702 8.141 -3.265 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.459 7.881 -0.823 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.331 7.466 -2.243 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.704 7.335 -1.023 1.00 0.00 C ATOM 0 H PHE A 89 0.721 7.488 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.064 8.356 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.418 9.534 -5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.429 10.385 -3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.137 8.991 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.189 8.236 -4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.969 7.776 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.312 7.041 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.193 6.801 -0.221 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.627 9.458 -5.226 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.623 10.102 -6.064 1.00 0.00 C ATOM 1420 C ASP A 90 -3.528 11.613 -5.927 1.00 0.00 C ATOM 1421 O ASP A 90 -3.441 12.141 -4.814 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.027 9.632 -5.668 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.997 9.650 -6.832 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.951 8.714 -7.657 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -6.825 10.579 -6.913 1.00 0.00 O ATOM 0 H ASP A 90 -3.001 9.068 -4.361 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.435 9.828 -7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.968 8.621 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.409 10.271 -4.872 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.535 12.301 -7.056 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.443 13.751 -7.066 1.00 0.00 C ATOM 1432 C GLU A 91 -4.817 14.362 -6.832 1.00 0.00 C ATOM 1433 O GLU A 91 -5.743 14.189 -7.627 1.00 0.00 O ATOM 1434 CB GLU A 91 -2.822 14.270 -8.376 1.00 0.00 C ATOM 1435 CG GLU A 91 -3.373 13.639 -9.652 1.00 0.00 C ATOM 1436 CD GLU A 91 -2.855 12.235 -9.885 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -1.722 12.090 -10.386 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -3.569 11.269 -9.551 1.00 0.00 O ATOM 0 H GLU A 91 -3.604 11.877 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.782 14.056 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.973 15.348 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.746 14.100 -8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.461 13.615 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.109 14.265 -10.504 1.00 0.00 H new