USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot -120:sc= 0 USER MOD Set 1.2: A 46 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.963) USER MOD Set 2.1: A 25 HIS : no HE2:sc= 0.34 K(o=1.5,f=-1.3) USER MOD Set 2.2: A 39 ASN : amide:sc= 0.0963 K(o=1.5,f=-5.4!) USER MOD Set 2.3: A 42 THR OG1 : rot -159:sc= 1.02 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -150:sc= 1.16 USER MOD Single : A 11 THR OG1 : rot 95:sc= 1.06 USER MOD Single : A 13 ASN : amide:sc= -0.946 K(o=-0.95,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.477 K(o=-0.48,f=-4.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 170:sc= 0 (180deg=-0.134) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0626 USER MOD Single : A 37 TYR OH : rot 10:sc= -1.54 USER MOD Single : A 45 MET CE :methyl -174:sc=-0.00416 (180deg=-0.0682) USER MOD Single : A 52 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5!) USER MOD Single : A 53 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.025) USER MOD Single : A 55 LYS NZ :NH3+ 152:sc= 1.19 (180deg=0.861) USER MOD Single : A 59 ASN : amide:sc= -0.429 K(o=-0.43,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 8 -5.421 -3.878 13.090 1.00 0.00 N ATOM 112 CA LYS A 8 -5.014 -5.118 12.470 1.00 0.00 C ATOM 113 C LYS A 8 -4.221 -4.887 11.188 1.00 0.00 C ATOM 114 O LYS A 8 -4.169 -3.761 10.658 1.00 0.00 O ATOM 115 CB LYS A 8 -6.234 -6.003 12.151 1.00 0.00 C ATOM 116 CG LYS A 8 -7.197 -5.437 11.111 1.00 0.00 C ATOM 117 CD LYS A 8 -8.227 -6.479 10.718 1.00 0.00 C ATOM 118 CE LYS A 8 -9.150 -5.981 9.619 1.00 0.00 C ATOM 119 NZ LYS A 8 -10.073 -7.038 9.173 1.00 0.00 N ATOM 0 HA LYS A 8 -4.370 -5.624 13.189 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.878 -6.972 11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.785 -6.179 13.075 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.697 -4.556 11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.642 -5.115 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.718 -7.383 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.818 -6.752 11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.721 -5.126 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.557 -5.633 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.690 -6.666 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.527 -7.843 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.655 -7.352 9.976 1.00 0.00 H new ATOM 133 N TYR A 9 -3.623 -5.964 10.717 1.00 0.00 N ATOM 134 CA TYR A 9 -2.886 -6.052 9.480 1.00 0.00 C ATOM 135 C TYR A 9 -1.533 -5.337 9.556 1.00 0.00 C ATOM 136 O TYR A 9 -1.061 -4.985 10.640 1.00 0.00 O ATOM 137 CB TYR A 9 -3.723 -5.562 8.288 1.00 0.00 C ATOM 138 CG TYR A 9 -3.670 -6.496 7.117 1.00 0.00 C ATOM 139 CD1 TYR A 9 -2.558 -7.295 6.905 1.00 0.00 C ATOM 140 CD2 TYR A 9 -4.746 -6.614 6.255 1.00 0.00 C ATOM 141 CE1 TYR A 9 -2.508 -8.173 5.869 1.00 0.00 C ATOM 142 CE2 TYR A 9 -4.714 -7.508 5.203 1.00 0.00 C ATOM 143 CZ TYR A 9 -3.578 -8.288 5.020 1.00 0.00 C ATOM 144 OH TYR A 9 -3.513 -9.193 4.001 1.00 0.00 O ATOM 0 H TYR A 9 -3.642 -6.851 11.220 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.671 -7.108 9.316 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.759 -5.441 8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.367 -4.579 7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.715 -7.219 7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.621 -6.000 6.407 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.627 -8.779 5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.557 -7.600 4.534 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.042 -8.869 3.242 1.00 0.00 H new ATOM 154 N ARG A 10 -0.938 -5.130 8.405 1.00 0.00 N ATOM 155 CA ARG A 10 0.332 -4.565 8.272 1.00 0.00 C ATOM 156 C ARG A 10 0.300 -3.643 7.073 1.00 0.00 C ATOM 157 O ARG A 10 -0.607 -3.741 6.230 1.00 0.00 O ATOM 158 CB ARG A 10 1.472 -5.643 8.195 1.00 0.00 C ATOM 159 CG ARG A 10 1.529 -6.579 6.958 1.00 0.00 C ATOM 160 CD ARG A 10 1.981 -5.853 5.689 1.00 0.00 C ATOM 161 NE ARG A 10 2.289 -6.756 4.584 1.00 0.00 N ATOM 162 CZ ARG A 10 2.306 -6.409 3.294 1.00 0.00 C ATOM 163 NH1 ARG A 10 1.733 -5.266 2.891 1.00 0.00 N ATOM 164 NH2 ARG A 10 2.848 -7.217 2.408 1.00 0.00 N ATOM 0 H ARG A 10 -1.367 -5.371 7.512 1.00 0.00 H new ATOM 0 HA ARG A 10 0.577 -3.989 9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.426 -5.120 8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.393 -6.272 9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.212 -7.404 7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.544 -7.015 6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.198 -5.162 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.863 -5.254 5.916 1.00 0.00 H new ATOM 0 HE ARG A 10 2.508 -7.725 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.280 -4.655 3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.750 -5.007 1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.253 -8.104 2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.863 -6.956 1.422 1.00 0.00 H new ATOM 178 N THR A 11 1.243 -2.802 6.989 1.00 0.00 N ATOM 179 CA THR A 11 1.303 -1.818 5.952 1.00 0.00 C ATOM 180 C THR A 11 2.705 -1.822 5.260 1.00 0.00 C ATOM 181 O THR A 11 3.726 -2.162 5.890 1.00 0.00 O ATOM 182 CB THR A 11 0.990 -0.412 6.564 1.00 0.00 C ATOM 183 OG1 THR A 11 0.953 0.575 5.561 1.00 0.00 O ATOM 184 CG2 THR A 11 2.008 -0.009 7.629 1.00 0.00 C ATOM 0 H THR A 11 2.022 -2.762 7.646 1.00 0.00 H new ATOM 0 HA THR A 11 0.561 -2.054 5.189 1.00 0.00 H new ATOM 0 HB THR A 11 0.011 -0.490 7.037 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.028 0.709 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.750 0.973 8.025 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.998 -0.740 8.437 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.003 0.028 7.186 1.00 0.00 H new ATOM 192 N PRO A 12 2.766 -1.512 3.945 1.00 0.00 N ATOM 193 CA PRO A 12 4.024 -1.383 3.231 1.00 0.00 C ATOM 194 C PRO A 12 4.623 0.016 3.437 1.00 0.00 C ATOM 195 O PRO A 12 3.991 1.029 3.126 1.00 0.00 O ATOM 196 CB PRO A 12 3.633 -1.583 1.751 1.00 0.00 C ATOM 197 CG PRO A 12 2.148 -1.798 1.746 1.00 0.00 C ATOM 198 CD PRO A 12 1.636 -1.261 3.047 1.00 0.00 C ATOM 0 HA PRO A 12 4.774 -2.096 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.904 -0.712 1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.153 -2.439 1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.684 -1.283 0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.910 -2.857 1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.393 -0.200 2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.733 -1.776 3.374 1.00 0.00 H new ATOM 206 N ASN A 13 5.821 0.060 3.959 1.00 0.00 N ATOM 207 CA ASN A 13 6.503 1.324 4.247 1.00 0.00 C ATOM 208 C ASN A 13 6.967 1.980 2.967 1.00 0.00 C ATOM 209 O ASN A 13 7.827 1.453 2.264 1.00 0.00 O ATOM 210 CB ASN A 13 7.706 1.128 5.187 1.00 0.00 C ATOM 211 CG ASN A 13 7.377 0.675 6.639 1.00 0.00 C ATOM 212 OD1 ASN A 13 8.103 1.057 7.557 1.00 0.00 O ATOM 213 ND2 ASN A 13 6.339 -0.158 6.883 1.00 0.00 N ATOM 0 H ASN A 13 6.362 -0.770 4.201 1.00 0.00 H new ATOM 0 HA ASN A 13 5.781 1.968 4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.373 0.390 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.258 2.067 5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.152 -0.475 7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.743 -0.469 6.116 1.00 0.00 H new ATOM 220 N CYS A 14 6.390 3.114 2.676 1.00 0.00 N ATOM 221 CA CYS A 14 6.680 3.854 1.476 1.00 0.00 C ATOM 222 C CYS A 14 7.750 4.913 1.713 1.00 0.00 C ATOM 223 O CYS A 14 8.481 5.270 0.812 1.00 0.00 O ATOM 224 CB CYS A 14 5.405 4.532 1.022 1.00 0.00 C ATOM 225 SG CYS A 14 4.731 5.745 2.232 1.00 0.00 S ATOM 0 H CYS A 14 5.694 3.558 3.275 1.00 0.00 H new ATOM 0 HA CYS A 14 7.055 3.164 0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.593 5.043 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.650 3.770 0.827 1.00 0.00 H new ATOM 230 N SER A 15 7.887 5.346 2.962 1.00 0.00 N ATOM 231 CA SER A 15 8.748 6.482 3.348 1.00 0.00 C ATOM 232 C SER A 15 10.276 6.179 3.270 1.00 0.00 C ATOM 233 O SER A 15 11.068 6.708 4.065 1.00 0.00 O ATOM 234 CB SER A 15 8.353 6.888 4.762 1.00 0.00 C ATOM 235 OG SER A 15 6.931 7.042 4.843 1.00 0.00 O ATOM 0 H SER A 15 7.402 4.920 3.751 1.00 0.00 H new ATOM 0 HA SER A 15 8.589 7.289 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.687 6.133 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.845 7.822 5.033 1.00 0.00 H new ATOM 0 HG SER A 15 6.681 7.301 5.754 1.00 0.00 H new ATOM 241 N GLN A 16 10.678 5.394 2.290 1.00 0.00 N ATOM 242 CA GLN A 16 12.076 5.024 2.087 1.00 0.00 C ATOM 243 C GLN A 16 12.266 4.490 0.669 1.00 0.00 C ATOM 244 O GLN A 16 13.121 3.633 0.383 1.00 0.00 O ATOM 245 CB GLN A 16 12.477 3.995 3.120 1.00 0.00 C ATOM 246 CG GLN A 16 11.581 2.704 3.052 1.00 0.00 C ATOM 247 CD GLN A 16 11.922 1.666 4.137 1.00 0.00 C ATOM 248 OE1 GLN A 16 11.355 1.707 5.237 1.00 0.00 O ATOM 249 NE2 GLN A 16 12.823 0.725 3.865 1.00 0.00 N ATOM 0 H GLN A 16 10.042 4.988 1.603 1.00 0.00 H new ATOM 0 HA GLN A 16 12.715 5.899 2.207 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.521 3.719 2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.404 4.434 4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.534 2.991 3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.694 2.243 2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.281 0.705 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.056 0.023 4.568 1.00 0.00 H new ATOM 258 N TYR A 17 11.504 5.043 -0.194 1.00 0.00 N ATOM 259 CA TYR A 17 11.462 4.643 -1.593 1.00 0.00 C ATOM 260 C TYR A 17 12.347 5.490 -2.475 1.00 0.00 C ATOM 261 O TYR A 17 12.191 6.707 -2.545 1.00 0.00 O ATOM 262 CB TYR A 17 10.034 4.662 -2.122 1.00 0.00 C ATOM 263 CG TYR A 17 9.271 3.397 -1.841 1.00 0.00 C ATOM 264 CD1 TYR A 17 9.662 2.547 -0.825 1.00 0.00 C ATOM 265 CD2 TYR A 17 8.174 3.042 -2.608 1.00 0.00 C ATOM 266 CE1 TYR A 17 8.994 1.394 -0.574 1.00 0.00 C ATOM 267 CE2 TYR A 17 7.489 1.878 -2.361 1.00 0.00 C ATOM 268 CZ TYR A 17 7.903 1.055 -1.340 1.00 0.00 C ATOM 269 OH TYR A 17 7.212 -0.118 -1.074 1.00 0.00 O ATOM 0 H TYR A 17 10.867 5.807 0.033 1.00 0.00 H new ATOM 0 HA TYR A 17 11.849 3.625 -1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.502 5.503 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 17 10.056 4.831 -3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.517 2.806 -0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.853 3.689 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.318 0.744 0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.633 1.611 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 17 6.467 -0.209 -1.705 1.00 0.00 H new ATOM 279 N ARG A 18 13.252 4.844 -3.178 1.00 0.00 N ATOM 280 CA ARG A 18 14.161 5.514 -4.086 1.00 0.00 C ATOM 281 C ARG A 18 13.528 5.484 -5.508 1.00 0.00 C ATOM 282 O ARG A 18 14.093 4.942 -6.465 1.00 0.00 O ATOM 283 CB ARG A 18 15.541 4.793 -4.044 1.00 0.00 C ATOM 284 CG ARG A 18 16.789 5.623 -4.434 1.00 0.00 C ATOM 285 CD ARG A 18 16.812 6.069 -5.887 1.00 0.00 C ATOM 286 NE ARG A 18 18.076 6.729 -6.256 1.00 0.00 N ATOM 287 CZ ARG A 18 18.269 7.457 -7.366 1.00 0.00 C ATOM 288 NH1 ARG A 18 17.246 7.749 -8.155 1.00 0.00 N ATOM 289 NH2 ARG A 18 19.484 7.922 -7.664 1.00 0.00 N ATOM 0 H ARG A 18 13.380 3.833 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 18 14.324 6.553 -3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 18 15.692 4.412 -3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.490 3.929 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.840 6.504 -3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.682 5.031 -4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.656 5.204 -6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.983 6.753 -6.066 1.00 0.00 H new ATOM 0 HE ARG A 18 18.865 6.624 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.310 7.420 -7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.394 8.303 -8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.271 7.724 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.625 8.475 -8.509 1.00 0.00 H new ATOM 303 N LEU A 19 12.318 5.987 -5.602 1.00 0.00 N ATOM 304 CA LEU A 19 11.616 6.134 -6.860 1.00 0.00 C ATOM 305 C LEU A 19 11.680 7.564 -7.290 1.00 0.00 C ATOM 306 O LEU A 19 11.763 8.441 -6.447 1.00 0.00 O ATOM 307 CB LEU A 19 10.116 5.737 -6.739 1.00 0.00 C ATOM 308 CG LEU A 19 9.796 4.250 -6.827 1.00 0.00 C ATOM 309 CD1 LEU A 19 10.389 3.448 -5.678 1.00 0.00 C ATOM 310 CD2 LEU A 19 8.301 4.005 -6.949 1.00 0.00 C ATOM 0 H LEU A 19 11.785 6.311 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 19 12.095 5.475 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.740 6.111 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.563 6.252 -7.524 1.00 0.00 H new ATOM 0 HG LEU A 19 10.274 3.892 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.127 2.396 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.474 3.555 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.991 3.818 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.112 2.933 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.793 4.415 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.925 4.491 -7.849 1.00 0.00 H new ATOM 322 N PRO A 20 11.632 7.837 -8.607 1.00 0.00 N ATOM 323 CA PRO A 20 11.533 9.209 -9.123 1.00 0.00 C ATOM 324 C PRO A 20 10.123 9.761 -8.869 1.00 0.00 C ATOM 325 O PRO A 20 9.811 10.916 -9.169 1.00 0.00 O ATOM 326 CB PRO A 20 11.784 9.047 -10.628 1.00 0.00 C ATOM 327 CG PRO A 20 11.373 7.650 -10.928 1.00 0.00 C ATOM 328 CD PRO A 20 11.717 6.846 -9.704 1.00 0.00 C ATOM 0 HA PRO A 20 12.232 9.900 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.202 9.764 -11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.832 9.214 -10.875 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.306 7.595 -11.144 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.896 7.269 -11.805 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.019 6.022 -9.556 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.714 6.411 -9.776 1.00 0.00 H new ATOM 336 N GLY A 21 9.283 8.897 -8.331 1.00 0.00 N ATOM 337 CA GLY A 21 7.956 9.239 -7.983 1.00 0.00 C ATOM 338 C GLY A 21 7.100 8.030 -8.047 1.00 0.00 C ATOM 339 O GLY A 21 7.020 7.273 -7.096 1.00 0.00 O ATOM 0 H GLY A 21 9.527 7.928 -8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.930 9.663 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.576 10.003 -8.662 1.00 0.00 H new ATOM 343 N CYS A 22 6.555 7.803 -9.195 1.00 0.00 N ATOM 344 CA CYS A 22 5.660 6.694 -9.456 1.00 0.00 C ATOM 345 C CYS A 22 5.706 6.436 -10.945 1.00 0.00 C ATOM 346 O CYS A 22 5.261 7.281 -11.705 1.00 0.00 O ATOM 347 CB CYS A 22 4.190 7.088 -9.088 1.00 0.00 C ATOM 348 SG CYS A 22 3.920 7.577 -7.352 1.00 0.00 S ATOM 0 H CYS A 22 6.716 8.394 -10.011 1.00 0.00 H new ATOM 0 HA CYS A 22 5.959 5.824 -8.871 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.881 7.912 -9.732 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.538 6.244 -9.315 1.00 0.00 H new ATOM 353 N PRO A 23 6.274 5.311 -11.398 1.00 0.00 N ATOM 354 CA PRO A 23 6.291 4.956 -12.820 1.00 0.00 C ATOM 355 C PRO A 23 4.911 4.842 -13.371 1.00 0.00 C ATOM 356 O PRO A 23 4.121 4.017 -12.926 1.00 0.00 O ATOM 357 CB PRO A 23 6.984 3.611 -12.825 1.00 0.00 C ATOM 358 CG PRO A 23 7.892 3.762 -11.702 1.00 0.00 C ATOM 359 CD PRO A 23 7.036 4.340 -10.621 1.00 0.00 C ATOM 0 HA PRO A 23 6.787 5.704 -13.438 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.285 2.787 -12.682 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.512 3.423 -13.760 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.320 2.805 -11.403 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.725 4.421 -11.948 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.399 3.592 -10.148 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.622 4.807 -9.829 1.00 0.00 H new ATOM 367 N ARG A 24 4.663 5.697 -14.328 1.00 0.00 N ATOM 368 CA ARG A 24 3.385 5.876 -15.026 1.00 0.00 C ATOM 369 C ARG A 24 2.195 5.853 -14.058 1.00 0.00 C ATOM 370 O ARG A 24 1.835 6.888 -13.478 1.00 0.00 O ATOM 371 CB ARG A 24 3.187 4.881 -16.202 1.00 0.00 C ATOM 372 CG ARG A 24 4.218 4.993 -17.342 1.00 0.00 C ATOM 373 CD ARG A 24 5.563 4.391 -16.960 1.00 0.00 C ATOM 374 NE ARG A 24 6.611 4.614 -17.963 1.00 0.00 N ATOM 375 CZ ARG A 24 7.838 4.062 -17.910 1.00 0.00 C ATOM 376 NH1 ARG A 24 8.106 3.114 -17.021 1.00 0.00 N ATOM 377 NH2 ARG A 24 8.770 4.419 -18.774 1.00 0.00 N ATOM 0 H ARG A 24 5.382 6.333 -14.673 1.00 0.00 H new ATOM 0 HA ARG A 24 3.426 6.869 -15.473 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.217 3.866 -15.806 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.191 5.031 -16.619 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.834 4.488 -18.228 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.353 6.042 -17.606 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.885 4.816 -16.009 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.441 3.319 -16.805 1.00 0.00 H new ATOM 0 HE ARG A 24 6.396 5.226 -18.750 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.381 2.801 -16.375 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.037 2.698 -16.984 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.563 5.117 -19.488 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.697 3.996 -18.728 1.00 0.00 H new ATOM 391 N HIS A 25 1.648 4.658 -13.861 1.00 0.00 N ATOM 392 CA HIS A 25 0.560 4.359 -12.923 1.00 0.00 C ATOM 393 C HIS A 25 0.094 2.918 -13.164 1.00 0.00 C ATOM 394 O HIS A 25 -0.225 2.550 -14.288 1.00 0.00 O ATOM 395 CB HIS A 25 -0.641 5.324 -13.068 1.00 0.00 C ATOM 396 CG HIS A 25 -1.577 5.309 -11.882 1.00 0.00 C ATOM 397 ND1 HIS A 25 -2.783 4.650 -11.867 1.00 0.00 N ATOM 398 CD2 HIS A 25 -1.461 5.895 -10.660 1.00 0.00 C ATOM 399 CE1 HIS A 25 -3.370 4.829 -10.696 1.00 0.00 C ATOM 400 NE2 HIS A 25 -2.584 5.578 -9.951 1.00 0.00 N ATOM 0 H HIS A 25 1.961 3.832 -14.371 1.00 0.00 H new ATOM 0 HA HIS A 25 0.945 4.487 -11.911 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.266 6.338 -13.212 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.201 5.061 -13.965 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -3.166 4.106 -12.640 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.635 6.499 -10.315 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.329 4.430 -10.401 1.00 0.00 H new ATOM 409 N PHE A 26 0.099 2.120 -12.125 1.00 0.00 N ATOM 410 CA PHE A 26 -0.314 0.715 -12.166 1.00 0.00 C ATOM 411 C PHE A 26 -0.848 0.328 -10.809 1.00 0.00 C ATOM 412 O PHE A 26 -0.621 1.078 -9.833 1.00 0.00 O ATOM 413 CB PHE A 26 0.851 -0.208 -12.594 1.00 0.00 C ATOM 414 CG PHE A 26 2.213 0.203 -12.073 1.00 0.00 C ATOM 415 CD1 PHE A 26 2.498 0.239 -10.717 1.00 0.00 C ATOM 416 CD2 PHE A 26 3.200 0.555 -12.962 1.00 0.00 C ATOM 417 CE1 PHE A 26 3.738 0.618 -10.267 1.00 0.00 C ATOM 418 CE2 PHE A 26 4.442 0.935 -12.523 1.00 0.00 C ATOM 419 CZ PHE A 26 4.714 0.971 -11.174 1.00 0.00 C ATOM 0 H PHE A 26 0.396 2.425 -11.198 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.097 0.593 -12.914 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.638 -1.221 -12.252 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.889 -0.240 -13.683 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.734 -0.035 -10.005 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.994 0.532 -14.022 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.948 0.640 -9.208 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.207 1.206 -13.236 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.690 1.275 -10.827 1.00 0.00 H new ATOM 429 N ASN A 27 -1.535 -0.810 -10.701 1.00 0.00 N ATOM 430 CA ASN A 27 -2.164 -1.185 -9.446 1.00 0.00 C ATOM 431 C ASN A 27 -1.734 -2.628 -9.014 1.00 0.00 C ATOM 432 O ASN A 27 -2.446 -3.604 -9.271 1.00 0.00 O ATOM 433 CB ASN A 27 -3.788 -1.073 -9.547 1.00 0.00 C ATOM 434 CG ASN A 27 -4.310 0.345 -9.713 1.00 0.00 C ATOM 435 OD1 ASN A 27 -3.625 1.243 -10.198 1.00 0.00 O ATOM 436 ND2 ASN A 27 -5.538 0.540 -9.405 1.00 0.00 N ATOM 0 H ASN A 27 -1.666 -1.477 -11.461 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.825 -0.486 -8.682 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.130 -1.674 -10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.227 -1.506 -8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.964 1.453 -9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.090 -0.218 -9.004 1.00 0.00 H new ATOM 443 N PRO A 28 -0.526 -2.762 -8.437 1.00 0.00 N ATOM 444 CA PRO A 28 -0.052 -4.007 -7.823 1.00 0.00 C ATOM 445 C PRO A 28 -0.857 -4.531 -6.649 1.00 0.00 C ATOM 446 O PRO A 28 -1.222 -5.680 -6.637 1.00 0.00 O ATOM 447 CB PRO A 28 1.351 -3.693 -7.328 1.00 0.00 C ATOM 448 CG PRO A 28 1.794 -2.527 -8.130 1.00 0.00 C ATOM 449 CD PRO A 28 0.546 -1.796 -8.569 1.00 0.00 C ATOM 0 HA PRO A 28 -0.128 -4.792 -8.576 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.350 -3.461 -6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.018 -4.544 -7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.436 -1.874 -7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.376 -2.851 -8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.364 -0.919 -7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.636 -1.446 -9.597 1.00 0.00 H new ATOM 457 N VAL A 29 -1.158 -3.687 -5.698 1.00 0.00 N ATOM 458 CA VAL A 29 -1.668 -4.155 -4.427 1.00 0.00 C ATOM 459 C VAL A 29 -3.148 -3.937 -4.237 1.00 0.00 C ATOM 460 O VAL A 29 -3.814 -3.234 -5.015 1.00 0.00 O ATOM 461 CB VAL A 29 -0.837 -3.654 -3.217 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.548 -4.326 -3.227 1.00 0.00 C ATOM 463 CG2 VAL A 29 -0.682 -2.136 -3.232 1.00 0.00 C ATOM 0 H VAL A 29 -1.061 -2.674 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.540 -5.237 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.370 -3.923 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.130 -3.972 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.428 -5.407 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.068 -4.075 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.094 -1.822 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.175 -1.831 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.666 -1.669 -3.190 1.00 0.00 H new ATOM 473 N CYS A 30 -3.655 -4.491 -3.192 1.00 0.00 N ATOM 474 CA CYS A 30 -5.055 -4.606 -3.029 1.00 0.00 C ATOM 475 C CYS A 30 -5.508 -3.807 -1.849 1.00 0.00 C ATOM 476 O CYS A 30 -4.968 -3.915 -0.780 1.00 0.00 O ATOM 477 CB CYS A 30 -5.406 -6.072 -2.829 1.00 0.00 C ATOM 478 SG CYS A 30 -6.897 -6.632 -3.688 1.00 0.00 S ATOM 0 H CYS A 30 -3.105 -4.878 -2.425 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.558 -4.222 -3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.564 -6.679 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.530 -6.257 -1.762 1.00 0.00 H new ATOM 483 N GLY A 31 -6.454 -2.995 -2.069 1.00 0.00 N ATOM 484 CA GLY A 31 -7.037 -2.179 -1.050 1.00 0.00 C ATOM 485 C GLY A 31 -7.833 -2.877 0.020 1.00 0.00 C ATOM 486 O GLY A 31 -8.918 -3.373 -0.257 1.00 0.00 O ATOM 0 H GLY A 31 -6.872 -2.861 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.236 -1.621 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.687 -1.449 -1.533 1.00 0.00 H new ATOM 490 N SER A 32 -7.332 -2.884 1.279 1.00 0.00 N ATOM 491 CA SER A 32 -8.168 -3.360 2.378 1.00 0.00 C ATOM 492 C SER A 32 -9.112 -2.184 2.685 1.00 0.00 C ATOM 493 O SER A 32 -10.154 -2.333 3.302 1.00 0.00 O ATOM 494 CB SER A 32 -7.325 -3.723 3.629 1.00 0.00 C ATOM 495 OG SER A 32 -8.074 -4.467 4.596 1.00 0.00 O ATOM 0 H SER A 32 -6.395 -2.578 1.540 1.00 0.00 H new ATOM 0 HA SER A 32 -8.702 -4.271 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.456 -4.304 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.951 -2.809 4.089 1.00 0.00 H new ATOM 0 HG SER A 32 -7.502 -4.674 5.364 1.00 0.00 H new ATOM 501 N ASP A 33 -8.698 -1.001 2.179 1.00 0.00 N ATOM 502 CA ASP A 33 -9.443 0.271 2.242 1.00 0.00 C ATOM 503 C ASP A 33 -10.409 0.375 1.025 1.00 0.00 C ATOM 504 O ASP A 33 -10.903 1.439 0.690 1.00 0.00 O ATOM 505 CB ASP A 33 -8.406 1.437 2.246 1.00 0.00 C ATOM 506 CG ASP A 33 -8.993 2.848 2.283 1.00 0.00 C ATOM 507 OD1 ASP A 33 -9.538 3.262 3.323 1.00 0.00 O ATOM 508 OD2 ASP A 33 -8.865 3.578 1.285 1.00 0.00 O ATOM 0 H ASP A 33 -7.803 -0.905 1.699 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.048 0.324 3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.751 1.313 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.782 1.346 1.357 1.00 0.00 H new ATOM 513 N MET A 34 -10.656 -0.784 0.368 1.00 0.00 N ATOM 514 CA MET A 34 -11.590 -0.903 -0.789 1.00 0.00 C ATOM 515 C MET A 34 -11.014 -0.236 -2.078 1.00 0.00 C ATOM 516 O MET A 34 -11.702 -0.032 -3.073 1.00 0.00 O ATOM 517 CB MET A 34 -13.023 -0.370 -0.404 1.00 0.00 C ATOM 518 CG MET A 34 -14.092 -0.458 -1.502 1.00 0.00 C ATOM 519 SD MET A 34 -14.406 -2.142 -2.078 1.00 0.00 S ATOM 520 CE MET A 34 -15.185 -2.865 -0.633 1.00 0.00 C ATOM 0 H MET A 34 -10.214 -1.667 0.623 1.00 0.00 H new ATOM 0 HA MET A 34 -11.698 -1.960 -1.032 1.00 0.00 H new ATOM 0 HB2 MET A 34 -13.375 -0.928 0.464 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.931 0.672 -0.097 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.022 -0.033 -1.126 1.00 0.00 H new ATOM 0 HG3 MET A 34 -13.782 0.154 -2.349 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.595 -3.841 -0.891 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.446 -2.980 0.160 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.988 -2.214 -0.288 1.00 0.00 H new ATOM 530 N SER A 35 -9.733 0.021 -2.081 1.00 0.00 N ATOM 531 CA SER A 35 -9.097 0.640 -3.229 1.00 0.00 C ATOM 532 C SER A 35 -7.907 -0.205 -3.740 1.00 0.00 C ATOM 533 O SER A 35 -6.953 -0.335 -3.077 1.00 0.00 O ATOM 534 CB SER A 35 -8.580 2.024 -2.827 1.00 0.00 C ATOM 535 OG SER A 35 -9.593 2.805 -2.207 1.00 0.00 O ATOM 0 H SER A 35 -9.104 -0.186 -1.305 1.00 0.00 H new ATOM 0 HA SER A 35 -9.835 0.716 -4.027 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.737 1.913 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.209 2.544 -3.710 1.00 0.00 H new ATOM 0 HG SER A 35 -9.741 3.622 -2.728 1.00 0.00 H new ATOM 541 N THR A 36 -7.997 -0.767 -4.885 1.00 0.00 N ATOM 542 CA THR A 36 -6.843 -1.438 -5.503 1.00 0.00 C ATOM 543 C THR A 36 -5.846 -0.364 -5.989 1.00 0.00 C ATOM 544 O THR A 36 -6.218 0.560 -6.715 1.00 0.00 O ATOM 545 CB THR A 36 -7.314 -2.318 -6.671 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.367 -1.632 -7.388 1.00 0.00 O ATOM 547 CG2 THR A 36 -7.818 -3.663 -6.169 1.00 0.00 C ATOM 0 H THR A 36 -8.850 -0.793 -5.443 1.00 0.00 H new ATOM 0 HA THR A 36 -6.348 -2.081 -4.775 1.00 0.00 H new ATOM 0 HB THR A 36 -6.471 -2.501 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.670 -2.189 -8.136 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.146 -4.267 -7.015 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.015 -4.179 -5.643 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.655 -3.507 -5.489 1.00 0.00 H new ATOM 555 N TYR A 37 -4.626 -0.450 -5.480 1.00 0.00 N ATOM 556 CA TYR A 37 -3.616 0.598 -5.600 1.00 0.00 C ATOM 557 C TYR A 37 -2.203 0.081 -5.527 1.00 0.00 C ATOM 558 O TYR A 37 -1.972 -1.090 -5.685 1.00 0.00 O ATOM 559 CB TYR A 37 -3.796 1.682 -4.532 1.00 0.00 C ATOM 560 CG TYR A 37 -4.215 1.274 -3.184 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.037 -0.006 -2.680 1.00 0.00 C ATOM 562 CD2 TYR A 37 -4.809 2.208 -2.405 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.472 -0.319 -1.433 1.00 0.00 C ATOM 564 CE2 TYR A 37 -5.230 1.926 -1.173 1.00 0.00 C ATOM 565 CZ TYR A 37 -5.079 0.653 -0.670 1.00 0.00 C ATOM 566 OH TYR A 37 -5.562 0.345 0.583 1.00 0.00 O ATOM 0 H TYR A 37 -4.301 -1.266 -4.961 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.771 1.022 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.850 2.215 -4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.529 2.397 -4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.550 -0.758 -3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.945 3.207 -2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.344 -1.318 -1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.689 2.695 -0.569 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.257 -0.550 0.840 1.00 0.00 H new ATOM 576 N ALA A 38 -1.271 1.034 -5.429 1.00 0.00 N ATOM 577 CA ALA A 38 0.117 0.854 -4.980 1.00 0.00 C ATOM 578 C ALA A 38 0.757 2.185 -5.118 1.00 0.00 C ATOM 579 O ALA A 38 0.070 3.169 -5.097 1.00 0.00 O ATOM 580 CB ALA A 38 0.907 -0.227 -5.761 1.00 0.00 C ATOM 0 H ALA A 38 -1.473 2.004 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 38 0.121 0.487 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.920 -0.294 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.410 -1.191 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.947 0.043 -6.816 1.00 0.00 H new ATOM 586 N ASN A 39 2.052 2.207 -5.189 1.00 0.00 N ATOM 587 CA ASN A 39 2.847 3.394 -5.511 1.00 0.00 C ATOM 588 C ASN A 39 2.797 4.526 -4.475 1.00 0.00 C ATOM 589 O ASN A 39 2.036 4.493 -3.518 1.00 0.00 O ATOM 590 CB ASN A 39 2.687 3.883 -7.001 1.00 0.00 C ATOM 591 CG ASN A 39 1.386 4.641 -7.287 1.00 0.00 C ATOM 592 OD1 ASN A 39 1.344 5.824 -7.133 1.00 0.00 O ATOM 593 ND2 ASN A 39 0.332 3.972 -7.710 1.00 0.00 N ATOM 0 H ASN A 39 2.623 1.379 -5.021 1.00 0.00 H new ATOM 0 HA ASN A 39 3.873 3.035 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.530 4.527 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.741 3.018 -7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.538 4.465 -7.912 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.386 2.961 -7.836 1.00 0.00 H new ATOM 600 N GLU A 40 3.639 5.510 -4.681 1.00 0.00 N ATOM 601 CA GLU A 40 3.798 6.636 -3.769 1.00 0.00 C ATOM 602 C GLU A 40 2.667 7.629 -3.916 1.00 0.00 C ATOM 603 O GLU A 40 2.381 8.401 -3.020 1.00 0.00 O ATOM 604 CB GLU A 40 5.123 7.342 -4.059 1.00 0.00 C ATOM 605 CG GLU A 40 6.341 6.479 -3.834 1.00 0.00 C ATOM 606 CD GLU A 40 6.501 6.126 -2.389 1.00 0.00 C ATOM 607 OE1 GLU A 40 5.843 5.187 -1.926 1.00 0.00 O ATOM 608 OE2 GLU A 40 7.285 6.811 -1.705 1.00 0.00 O ATOM 0 H GLU A 40 4.247 5.559 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 40 3.787 6.250 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.121 7.686 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.197 8.228 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.257 5.567 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.230 7.004 -4.182 1.00 0.00 H new ATOM 615 N CYS A 41 1.992 7.537 -5.002 1.00 0.00 N ATOM 616 CA CYS A 41 1.005 8.512 -5.377 1.00 0.00 C ATOM 617 C CYS A 41 -0.334 7.949 -5.076 1.00 0.00 C ATOM 618 O CYS A 41 -1.286 8.673 -4.809 1.00 0.00 O ATOM 619 CB CYS A 41 1.128 8.850 -6.877 1.00 0.00 C ATOM 620 SG CYS A 41 2.829 9.307 -7.435 1.00 0.00 S ATOM 0 H CYS A 41 2.102 6.776 -5.673 1.00 0.00 H new ATOM 0 HA CYS A 41 1.155 9.435 -4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.790 7.991 -7.457 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.453 9.675 -7.105 1.00 0.00 H new ATOM 625 N THR A 42 -0.413 6.652 -5.096 1.00 0.00 N ATOM 626 CA THR A 42 -1.604 6.054 -4.761 1.00 0.00 C ATOM 627 C THR A 42 -1.553 5.522 -3.320 1.00 0.00 C ATOM 628 O THR A 42 -2.350 5.976 -2.517 1.00 0.00 O ATOM 629 CB THR A 42 -2.095 5.038 -5.796 1.00 0.00 C ATOM 630 OG1 THR A 42 -1.872 5.594 -7.120 1.00 0.00 O ATOM 631 CG2 THR A 42 -3.589 4.840 -5.625 1.00 0.00 C ATOM 0 H THR A 42 0.347 6.018 -5.344 1.00 0.00 H new ATOM 0 HA THR A 42 -2.378 6.821 -4.785 1.00 0.00 H new ATOM 0 HB THR A 42 -1.567 4.093 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.453 5.141 -7.767 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.947 4.118 -6.359 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.794 4.469 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.101 5.791 -5.772 1.00 0.00 H new ATOM 639 N LEU A 43 -0.567 4.642 -2.912 1.00 0.00 N ATOM 640 CA LEU A 43 -0.641 4.270 -1.473 1.00 0.00 C ATOM 641 C LEU A 43 -0.046 5.268 -0.669 1.00 0.00 C ATOM 642 O LEU A 43 -0.603 5.653 0.208 1.00 0.00 O ATOM 643 CB LEU A 43 0.042 3.031 -0.958 1.00 0.00 C ATOM 644 CG LEU A 43 -0.510 1.727 -1.316 1.00 0.00 C ATOM 645 CD1 LEU A 43 0.398 0.621 -0.808 1.00 0.00 C ATOM 646 CD2 LEU A 43 -1.834 1.595 -0.674 1.00 0.00 C ATOM 0 H LEU A 43 0.180 4.235 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.718 4.115 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.077 3.057 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.064 3.093 0.130 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.595 1.647 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.022 -0.348 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.386 0.727 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.482 0.689 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.266 0.627 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.723 1.671 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.491 2.390 -1.028 1.00 0.00 H new ATOM 658 N CYS A 44 1.139 5.652 -0.961 1.00 0.00 N ATOM 659 CA CYS A 44 1.859 6.524 -0.006 1.00 0.00 C ATOM 660 C CYS A 44 1.144 7.836 0.298 1.00 0.00 C ATOM 661 O CYS A 44 1.240 8.360 1.415 1.00 0.00 O ATOM 662 CB CYS A 44 3.348 6.687 -0.293 1.00 0.00 C ATOM 663 SG CYS A 44 4.314 7.380 1.099 1.00 0.00 S ATOM 0 H CYS A 44 1.648 5.408 -1.811 1.00 0.00 H new ATOM 0 HA CYS A 44 1.828 5.966 0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.763 5.715 -0.559 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.470 7.334 -1.162 1.00 0.00 H new ATOM 668 N MET A 45 0.375 8.319 -0.639 1.00 0.00 N ATOM 669 CA MET A 45 -0.463 9.460 -0.349 1.00 0.00 C ATOM 670 C MET A 45 -1.559 8.987 0.583 1.00 0.00 C ATOM 671 O MET A 45 -1.709 9.492 1.711 1.00 0.00 O ATOM 672 CB MET A 45 -1.023 10.072 -1.623 1.00 0.00 C ATOM 673 CG MET A 45 0.062 10.552 -2.545 1.00 0.00 C ATOM 674 SD MET A 45 1.270 11.676 -1.766 1.00 0.00 S ATOM 675 CE MET A 45 0.226 13.025 -1.219 1.00 0.00 C ATOM 0 H MET A 45 0.308 7.954 -1.589 1.00 0.00 H new ATOM 0 HA MET A 45 0.116 10.250 0.129 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.637 9.334 -2.140 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.676 10.906 -1.367 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.593 9.687 -2.943 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.397 11.062 -3.392 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.847 13.828 -0.823 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.357 13.399 -2.061 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.449 12.670 -0.440 1.00 0.00 H new ATOM 685 N LYS A 46 -2.252 7.937 0.142 1.00 0.00 N ATOM 686 CA LYS A 46 -3.266 7.228 0.970 1.00 0.00 C ATOM 687 C LYS A 46 -2.741 6.886 2.338 1.00 0.00 C ATOM 688 O LYS A 46 -3.410 7.121 3.322 1.00 0.00 O ATOM 689 CB LYS A 46 -3.626 5.851 0.409 1.00 0.00 C ATOM 690 CG LYS A 46 -4.700 5.689 -0.638 1.00 0.00 C ATOM 691 CD LYS A 46 -6.123 5.901 -0.111 1.00 0.00 C ATOM 692 CE LYS A 46 -7.151 5.421 -1.148 1.00 0.00 C ATOM 693 NZ LYS A 46 -8.542 5.431 -0.643 1.00 0.00 N ATOM 0 H LYS A 46 -2.138 7.545 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.109 7.919 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.711 5.427 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.911 5.227 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.514 6.396 -1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.628 4.689 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.257 5.356 0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.283 6.956 0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.088 6.056 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.894 4.410 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.203 5.381 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.691 4.612 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.711 6.307 -0.109 1.00 0.00 H new ATOM 707 N ILE A 47 -1.567 6.316 2.388 1.00 0.00 N ATOM 708 CA ILE A 47 -1.166 5.650 3.532 1.00 0.00 C ATOM 709 C ILE A 47 -0.824 6.619 4.659 1.00 0.00 C ATOM 710 O ILE A 47 -1.091 6.355 5.841 1.00 0.00 O ATOM 711 CB ILE A 47 -0.055 4.571 3.253 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.103 3.409 4.268 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.341 5.193 3.255 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.398 3.703 5.672 1.00 0.00 C ATOM 0 H ILE A 47 -0.888 6.317 1.627 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.021 5.074 3.886 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.264 4.168 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.135 3.064 4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.482 2.582 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.084 4.420 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.400 5.957 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.536 5.646 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.311 2.806 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.442 4.012 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.199 4.502 6.111 1.00 0.00 H new ATOM 726 N ARG A 48 -0.258 7.752 4.283 1.00 0.00 N ATOM 727 CA ARG A 48 0.110 8.726 5.263 1.00 0.00 C ATOM 728 C ARG A 48 -1.124 9.307 5.882 1.00 0.00 C ATOM 729 O ARG A 48 -1.166 9.498 7.106 1.00 0.00 O ATOM 730 CB ARG A 48 1.021 9.807 4.684 1.00 0.00 C ATOM 731 CG ARG A 48 2.451 9.343 4.358 1.00 0.00 C ATOM 732 CD ARG A 48 3.285 9.033 5.623 1.00 0.00 C ATOM 733 NE ARG A 48 2.817 7.854 6.391 1.00 0.00 N ATOM 734 CZ ARG A 48 2.452 7.855 7.697 1.00 0.00 C ATOM 735 NH1 ARG A 48 2.433 8.987 8.398 1.00 0.00 N ATOM 736 NH2 ARG A 48 2.115 6.722 8.285 1.00 0.00 N ATOM 0 H ARG A 48 -0.050 8.007 3.317 1.00 0.00 H new ATOM 0 HA ARG A 48 0.690 8.231 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.565 10.197 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.076 10.633 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.405 8.452 3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.955 10.115 3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.322 8.872 5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.271 9.906 6.276 1.00 0.00 H new ATOM 0 HE ARG A 48 2.765 6.965 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.695 9.867 7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.157 8.974 9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.130 5.849 7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.840 6.719 9.267 1.00 0.00 H new ATOM 750 N GLU A 49 -2.142 9.530 5.038 1.00 0.00 N ATOM 751 CA GLU A 49 -3.471 9.999 5.484 1.00 0.00 C ATOM 752 C GLU A 49 -4.357 10.309 4.312 1.00 0.00 C ATOM 753 O GLU A 49 -5.378 11.000 4.463 1.00 0.00 O ATOM 754 CB GLU A 49 -3.378 11.234 6.376 1.00 0.00 C ATOM 755 CG GLU A 49 -2.581 12.386 5.757 1.00 0.00 C ATOM 756 CD GLU A 49 -2.470 13.577 6.658 1.00 0.00 C ATOM 757 OE1 GLU A 49 -1.597 13.580 7.558 1.00 0.00 O ATOM 758 OE2 GLU A 49 -3.235 14.543 6.474 1.00 0.00 O ATOM 0 H GLU A 49 -2.072 9.392 4.030 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.903 9.184 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.385 11.583 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.916 10.953 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.580 12.034 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.056 12.688 4.823 1.00 0.00 H new ATOM 765 N GLY A 50 -4.030 9.762 3.174 1.00 0.00 N ATOM 766 CA GLY A 50 -4.858 9.972 2.030 1.00 0.00 C ATOM 767 C GLY A 50 -6.090 9.164 2.213 1.00 0.00 C ATOM 768 O GLY A 50 -7.168 9.517 1.719 1.00 0.00 O ATOM 0 H GLY A 50 -3.209 9.177 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.105 11.028 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.337 9.675 1.120 1.00 0.00 H new ATOM 772 N GLY A 51 -5.943 8.048 2.934 1.00 0.00 N ATOM 773 CA GLY A 51 -7.102 7.343 3.316 1.00 0.00 C ATOM 774 C GLY A 51 -7.099 7.015 4.776 1.00 0.00 C ATOM 775 O GLY A 51 -7.883 7.534 5.555 1.00 0.00 O ATOM 0 H GLY A 51 -5.055 7.650 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.984 7.938 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.174 6.422 2.737 1.00 0.00 H new ATOM 779 N HIS A 52 -6.203 6.172 5.119 1.00 0.00 N ATOM 780 CA HIS A 52 -6.080 5.560 6.395 1.00 0.00 C ATOM 781 C HIS A 52 -4.658 5.193 6.471 1.00 0.00 C ATOM 782 O HIS A 52 -3.901 5.540 5.572 1.00 0.00 O ATOM 783 CB HIS A 52 -6.949 4.272 6.492 1.00 0.00 C ATOM 784 CG HIS A 52 -8.422 4.506 6.703 1.00 0.00 C ATOM 785 ND1 HIS A 52 -9.382 4.284 5.745 1.00 0.00 N ATOM 786 CD2 HIS A 52 -9.093 4.914 7.801 1.00 0.00 C ATOM 787 CE1 HIS A 52 -10.564 4.548 6.246 1.00 0.00 C ATOM 788 NE2 HIS A 52 -10.423 4.930 7.487 1.00 0.00 N ATOM 0 H HIS A 52 -5.479 5.865 4.470 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.409 6.221 7.197 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.817 3.694 5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.573 3.661 7.313 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.203 3.964 4.793 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.658 5.179 8.753 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -11.502 4.463 5.718 1.00 0.00 H new ATOM 797 N ASN A 53 -4.271 4.492 7.460 1.00 0.00 N ATOM 798 CA ASN A 53 -2.995 3.847 7.386 1.00 0.00 C ATOM 799 C ASN A 53 -3.230 2.556 6.640 1.00 0.00 C ATOM 800 O ASN A 53 -3.627 1.551 7.231 1.00 0.00 O ATOM 801 CB ASN A 53 -2.349 3.607 8.757 1.00 0.00 C ATOM 802 CG ASN A 53 -1.920 4.910 9.472 1.00 0.00 C ATOM 803 OD1 ASN A 53 -1.894 4.952 10.703 1.00 0.00 O ATOM 804 ND2 ASN A 53 -1.597 5.995 8.732 1.00 0.00 N ATOM 0 H ASN A 53 -4.796 4.342 8.322 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.280 4.488 6.871 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.052 3.068 9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.476 2.966 8.632 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.327 6.864 9.192 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.623 5.944 7.714 1.00 0.00 H new ATOM 811 N ILE A 54 -3.114 2.649 5.317 1.00 0.00 N ATOM 812 CA ILE A 54 -3.387 1.559 4.386 1.00 0.00 C ATOM 813 C ILE A 54 -2.799 0.237 4.762 1.00 0.00 C ATOM 814 O ILE A 54 -1.618 0.109 5.069 1.00 0.00 O ATOM 815 CB ILE A 54 -3.070 1.893 2.879 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.209 2.717 2.203 1.00 0.00 C ATOM 817 CG2 ILE A 54 -2.898 0.592 2.119 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.757 3.875 2.996 1.00 0.00 C ATOM 0 H ILE A 54 -2.820 3.508 4.852 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.468 1.456 4.478 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.161 2.495 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.837 3.099 1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.032 2.040 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.678 0.808 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.076 0.023 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.817 0.009 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.541 4.369 2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.170 3.509 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.957 4.585 3.203 1.00 0.00 H new ATOM 830 N LYS A 55 -3.652 -0.738 4.735 1.00 0.00 N ATOM 831 CA LYS A 55 -3.280 -2.067 4.869 1.00 0.00 C ATOM 832 C LYS A 55 -3.638 -2.594 3.533 1.00 0.00 C ATOM 833 O LYS A 55 -4.782 -2.410 3.110 1.00 0.00 O ATOM 834 CB LYS A 55 -4.158 -2.768 5.909 1.00 0.00 C ATOM 835 CG LYS A 55 -4.326 -2.019 7.214 1.00 0.00 C ATOM 836 CD LYS A 55 -3.008 -1.810 7.943 1.00 0.00 C ATOM 837 CE LYS A 55 -3.181 -0.845 9.099 1.00 0.00 C ATOM 838 NZ LYS A 55 -4.317 -1.214 9.965 1.00 0.00 N ATOM 0 H LYS A 55 -4.655 -0.601 4.614 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.243 -2.205 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.144 -2.938 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.731 -3.748 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.785 -1.050 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.010 -2.570 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.636 -2.765 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.261 -1.424 7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.266 -0.822 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.334 0.162 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.140 -0.877 10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.188 -0.778 9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.425 -2.248 9.974 1.00 0.00 H new ATOM 852 N ILE A 56 -2.719 -3.091 2.791 1.00 0.00 N ATOM 853 CA ILE A 56 -3.129 -3.670 1.595 1.00 0.00 C ATOM 854 C ILE A 56 -3.708 -5.030 1.953 1.00 0.00 C ATOM 855 O ILE A 56 -3.136 -5.747 2.783 1.00 0.00 O ATOM 856 CB ILE A 56 -2.022 -3.812 0.565 1.00 0.00 C ATOM 857 CG1 ILE A 56 -0.873 -4.672 1.060 1.00 0.00 C ATOM 858 CG2 ILE A 56 -1.557 -2.450 0.089 1.00 0.00 C ATOM 859 CD1 ILE A 56 0.313 -4.671 0.144 1.00 0.00 C ATOM 0 H ILE A 56 -1.719 -3.104 2.990 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.862 -3.019 1.119 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.438 -4.341 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.563 -4.319 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.224 -5.696 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.764 -2.574 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.394 -1.918 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.179 -1.878 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.095 -5.306 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.018 -5.053 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.690 -3.654 0.038 1.00 0.00 H new ATOM 871 N ILE A 57 -4.823 -5.364 1.401 1.00 0.00 N ATOM 872 CA ILE A 57 -5.490 -6.595 1.767 1.00 0.00 C ATOM 873 C ILE A 57 -4.812 -7.743 1.108 1.00 0.00 C ATOM 874 O ILE A 57 -4.738 -8.849 1.606 1.00 0.00 O ATOM 875 CB ILE A 57 -6.998 -6.548 1.460 1.00 0.00 C ATOM 876 CG1 ILE A 57 -7.719 -7.734 2.022 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.300 -6.371 -0.020 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.222 -7.743 1.783 1.00 0.00 C ATOM 0 H ILE A 57 -5.304 -4.810 0.692 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.414 -6.727 2.846 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.376 -5.657 1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.292 -8.639 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.536 -7.777 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.379 -6.346 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.862 -5.437 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.875 -7.204 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.655 -8.640 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.668 -6.860 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.420 -7.736 0.711 1.00 0.00 H new ATOM 890 N ARG A 58 -4.333 -7.443 0.000 1.00 0.00 N ATOM 891 CA ARG A 58 -3.521 -8.273 -0.720 1.00 0.00 C ATOM 892 C ARG A 58 -2.295 -7.596 -1.132 1.00 0.00 C ATOM 893 O ARG A 58 -2.305 -6.472 -1.639 1.00 0.00 O ATOM 894 CB ARG A 58 -4.198 -9.167 -1.759 1.00 0.00 C ATOM 895 CG ARG A 58 -4.851 -10.401 -1.172 1.00 0.00 C ATOM 896 CD ARG A 58 -3.835 -11.247 -0.407 1.00 0.00 C ATOM 897 NE ARG A 58 -2.774 -11.768 -1.274 1.00 0.00 N ATOM 898 CZ ARG A 58 -1.771 -12.567 -0.885 1.00 0.00 C ATOM 899 NH1 ARG A 58 -1.661 -12.957 0.388 1.00 0.00 N ATOM 900 NH2 ARG A 58 -0.875 -12.965 -1.776 1.00 0.00 N ATOM 0 H ARG A 58 -4.511 -6.549 -0.458 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.205 -9.051 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.952 -8.585 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.457 -9.476 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.660 -10.106 -0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.297 -10.995 -1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.390 -10.646 0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.349 -12.079 0.074 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.802 -11.499 -2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.346 -12.646 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.893 -13.565 0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.953 -12.663 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.107 -13.573 -1.491 1.00 0.00 H new ATOM 914 N ASN A 59 -1.239 -8.269 -0.852 1.00 0.00 N ATOM 915 CA ASN A 59 0.088 -7.791 -1.022 1.00 0.00 C ATOM 916 C ASN A 59 0.582 -7.961 -2.458 1.00 0.00 C ATOM 917 O ASN A 59 1.791 -7.950 -2.733 1.00 0.00 O ATOM 918 CB ASN A 59 0.981 -8.525 -0.040 1.00 0.00 C ATOM 919 CG ASN A 59 1.111 -10.042 -0.229 1.00 0.00 C ATOM 920 OD1 ASN A 59 0.967 -10.588 -1.320 1.00 0.00 O ATOM 921 ND2 ASN A 59 1.408 -10.725 0.849 1.00 0.00 N ATOM 0 H ASN A 59 -1.277 -9.217 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 59 0.113 -6.720 -0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.978 -8.088 -0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.606 -8.338 0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.526 -11.737 0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.522 -10.245 1.742 1.00 0.00 H new ATOM 928 N GLY A 60 -0.344 -8.084 -3.358 1.00 0.00 N ATOM 929 CA GLY A 60 -0.052 -8.277 -4.724 1.00 0.00 C ATOM 930 C GLY A 60 -1.322 -8.371 -5.506 1.00 0.00 C ATOM 931 O GLY A 60 -2.376 -7.987 -4.980 1.00 0.00 O ATOM 0 H GLY A 60 -1.342 -8.051 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.554 -7.451 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.534 -9.187 -4.855 1.00 0.00 H new ATOM 935 N PRO A 61 -1.264 -8.946 -6.717 1.00 0.00 N ATOM 936 CA PRO A 61 -2.379 -8.969 -7.681 1.00 0.00 C ATOM 937 C PRO A 61 -3.743 -9.430 -7.151 1.00 0.00 C ATOM 938 O PRO A 61 -3.857 -10.383 -6.348 1.00 0.00 O ATOM 939 CB PRO A 61 -1.895 -9.934 -8.761 1.00 0.00 C ATOM 940 CG PRO A 61 -0.420 -9.818 -8.714 1.00 0.00 C ATOM 941 CD PRO A 61 -0.077 -9.636 -7.267 1.00 0.00 C ATOM 0 HA PRO A 61 -2.584 -7.949 -8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.221 -10.954 -8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.285 -9.663 -9.742 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.057 -10.710 -9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.074 -8.972 -9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.097 -10.591 -6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.828 -9.042 -7.140 1.00 0.00 H new ATOM 949 N CYS A 62 -4.751 -8.730 -7.601 1.00 0.00 N ATOM 950 CA CYS A 62 -6.134 -9.063 -7.380 1.00 0.00 C ATOM 951 C CYS A 62 -6.831 -8.996 -8.729 1.00 0.00 C ATOM 952 O CYS A 62 -6.828 -10.011 -9.457 1.00 0.00 O ATOM 953 CB CYS A 62 -6.814 -8.113 -6.358 1.00 0.00 C ATOM 954 SG CYS A 62 -6.255 -8.313 -4.630 1.00 0.00 S ATOM 955 OXT CYS A 62 -7.311 -7.908 -9.120 1.00 0.00 O ATOM 0 H CYS A 62 -4.627 -7.881 -8.152 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.206 -10.062 -6.949 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.634 -7.083 -6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.891 -8.273 -6.397 1.00 0.00 H new