USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 405 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 45 ASN : amide:sc= -0.253 K(o=-0.27,f=-2.2) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.0196 X(o=-0.27,f=-0.25) USER MOD Set 2.1: A 36 TYR OH : rot 15:sc= 0.64 USER MOD Set 2.2: A 41 GLN : amide:sc= 0.774 K(o=1.4,f=-0.76!) USER MOD Set 3.1: A 18 TYR OH : rot -50:sc= 0.924 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -19:sc= 0.324 USER MOD Single : A 17 THR OG1 : rot -34:sc= 0.0909 USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= 0.0416 F(o=-0.86,f=0.042) USER MOD Single : A 32 THR OG1 : rot 100:sc= -0.122 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00582 K(o=-0.0058,f=-0.62) USER MOD Single : A 50 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.091) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 153:sc= 0.723 USER MOD Single : A 60 THR OG1 : rot 43:sc= 0.201 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.26 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 11.686 8.023 3.629 1.00 0.00 N ATOM 135 CA TYR A 10 12.266 6.682 3.602 1.00 0.00 C ATOM 136 C TYR A 10 13.500 6.659 2.682 1.00 0.00 C ATOM 137 O TYR A 10 13.677 7.599 1.901 1.00 0.00 O ATOM 138 CB TYR A 10 11.226 5.664 3.111 1.00 0.00 C ATOM 139 CG TYR A 10 10.371 5.062 4.207 1.00 0.00 C ATOM 140 CD1 TYR A 10 9.327 5.811 4.769 1.00 0.00 C ATOM 141 CD2 TYR A 10 10.609 3.750 4.653 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.489 5.243 5.746 1.00 0.00 C ATOM 143 CE2 TYR A 10 9.784 3.175 5.637 1.00 0.00 C ATOM 144 CZ TYR A 10 8.712 3.919 6.182 1.00 0.00 C ATOM 145 OH TYR A 10 7.900 3.356 7.117 1.00 0.00 O ATOM 0 HA TYR A 10 12.572 6.412 4.613 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.574 6.150 2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 10 11.742 4.860 2.587 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.165 6.830 4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 10 11.428 3.181 4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.676 5.819 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.969 2.166 5.976 1.00 0.00 H new ATOM 0 HH TYR A 10 8.197 2.440 7.299 1.00 0.00 H new ATOM 155 N PRO A 11 14.330 5.597 2.760 1.00 0.00 N ATOM 156 CA PRO A 11 15.323 5.208 1.751 1.00 0.00 C ATOM 157 C PRO A 11 14.720 4.915 0.362 1.00 0.00 C ATOM 158 O PRO A 11 13.616 5.348 0.042 1.00 0.00 O ATOM 159 CB PRO A 11 16.101 4.028 2.361 1.00 0.00 C ATOM 160 CG PRO A 11 15.228 3.502 3.493 1.00 0.00 C ATOM 161 CD PRO A 11 14.381 4.694 3.903 1.00 0.00 C ATOM 0 HA PRO A 11 15.996 6.037 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.286 3.254 1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.073 4.350 2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.608 2.669 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.832 3.139 4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.378 4.375 4.187 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.813 5.194 4.770 1.00 0.00 H new ATOM 169 N VAL A 12 15.489 4.267 -0.513 1.00 0.00 N ATOM 170 CA VAL A 12 15.165 3.944 -1.901 1.00 0.00 C ATOM 171 C VAL A 12 15.355 2.430 -2.116 1.00 0.00 C ATOM 172 O VAL A 12 16.490 1.990 -2.338 1.00 0.00 O ATOM 173 CB VAL A 12 15.941 4.818 -2.896 1.00 0.00 C ATOM 174 CG1 VAL A 12 15.498 4.485 -4.325 1.00 0.00 C ATOM 175 CG2 VAL A 12 15.671 6.310 -2.671 1.00 0.00 C ATOM 0 H VAL A 12 16.417 3.932 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 12 14.120 4.180 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 12 17.001 4.614 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 12 16.049 5.106 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.699 3.434 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.430 4.678 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 12 16.238 6.896 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.607 6.510 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 12 15.976 6.587 -1.662 1.00 0.00 H new ATOM 185 N PRO A 13 14.327 1.601 -1.865 1.00 0.00 N ATOM 186 CA PRO A 13 14.434 0.145 -1.901 1.00 0.00 C ATOM 187 C PRO A 13 14.741 -0.387 -3.312 1.00 0.00 C ATOM 188 O PRO A 13 14.450 0.270 -4.311 1.00 0.00 O ATOM 189 CB PRO A 13 13.073 -0.350 -1.406 1.00 0.00 C ATOM 190 CG PRO A 13 12.111 0.735 -1.891 1.00 0.00 C ATOM 191 CD PRO A 13 12.933 2.008 -1.739 1.00 0.00 C ATOM 0 HA PRO A 13 15.260 -0.210 -1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.823 -1.326 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.052 -0.452 -0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.805 0.572 -2.925 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.202 0.767 -1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.668 2.737 -2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.749 2.479 -0.773 1.00 0.00 H new ATOM 199 N ASP A 14 15.258 -1.617 -3.403 1.00 0.00 N ATOM 200 CA ASP A 14 15.538 -2.336 -4.652 1.00 0.00 C ATOM 201 C ASP A 14 15.346 -3.821 -4.356 1.00 0.00 C ATOM 202 O ASP A 14 15.915 -4.329 -3.387 1.00 0.00 O ATOM 203 CB ASP A 14 16.978 -2.079 -5.143 1.00 0.00 C ATOM 204 CG ASP A 14 17.263 -2.625 -6.554 1.00 0.00 C ATOM 205 OD1 ASP A 14 16.679 -3.655 -6.964 1.00 0.00 O ATOM 206 OD2 ASP A 14 18.138 -2.065 -7.255 1.00 0.00 O ATOM 0 H ASP A 14 15.503 -2.161 -2.576 1.00 0.00 H new ATOM 0 HA ASP A 14 14.869 -1.992 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.168 -1.006 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.677 -2.532 -4.441 1.00 0.00 H new ATOM 211 N VAL A 15 14.539 -4.518 -5.157 1.00 0.00 N ATOM 212 CA VAL A 15 14.295 -5.953 -5.022 1.00 0.00 C ATOM 213 C VAL A 15 15.586 -6.777 -5.172 1.00 0.00 C ATOM 214 O VAL A 15 15.668 -7.888 -4.649 1.00 0.00 O ATOM 215 CB VAL A 15 13.165 -6.363 -5.995 1.00 0.00 C ATOM 216 CG1 VAL A 15 13.523 -6.111 -7.468 1.00 0.00 C ATOM 217 CG2 VAL A 15 12.704 -7.818 -5.840 1.00 0.00 C ATOM 0 H VAL A 15 14.028 -4.093 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 15 13.955 -6.177 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 15 12.337 -5.714 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.692 -6.418 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.721 -5.050 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.411 -6.686 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.910 -8.027 -6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 15 13.544 -8.487 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.329 -7.975 -4.829 1.00 0.00 H new ATOM 227 N SER A 16 16.629 -6.237 -5.807 1.00 0.00 N ATOM 228 CA SER A 16 17.908 -6.897 -6.049 1.00 0.00 C ATOM 229 C SER A 16 18.663 -7.260 -4.756 1.00 0.00 C ATOM 230 O SER A 16 19.684 -7.943 -4.826 1.00 0.00 O ATOM 231 CB SER A 16 18.726 -5.973 -6.963 1.00 0.00 C ATOM 232 OG SER A 16 19.993 -6.509 -7.300 1.00 0.00 O ATOM 0 H SER A 16 16.601 -5.288 -6.181 1.00 0.00 H new ATOM 0 HA SER A 16 17.736 -7.859 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.163 -5.784 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.864 -5.011 -6.469 1.00 0.00 H new ATOM 0 HG SER A 16 20.229 -7.215 -6.663 1.00 0.00 H new ATOM 238 N THR A 17 18.210 -6.837 -3.575 1.00 0.00 N ATOM 239 CA THR A 17 18.837 -7.191 -2.303 1.00 0.00 C ATOM 240 C THR A 17 17.832 -7.846 -1.349 1.00 0.00 C ATOM 241 O THR A 17 18.110 -8.024 -0.162 1.00 0.00 O ATOM 242 CB THR A 17 19.616 -5.959 -1.804 1.00 0.00 C ATOM 243 OG1 THR A 17 20.449 -6.202 -0.694 1.00 0.00 O ATOM 244 CG2 THR A 17 18.738 -4.747 -1.487 1.00 0.00 C ATOM 0 H THR A 17 17.392 -6.235 -3.475 1.00 0.00 H new ATOM 0 HA THR A 17 19.582 -7.981 -2.401 1.00 0.00 H new ATOM 0 HB THR A 17 20.243 -5.728 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 17 20.035 -6.876 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 17 19.364 -3.924 -1.142 1.00 0.00 H new ATOM 0 HG22 THR A 17 18.200 -4.442 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 17 18.023 -5.010 -0.707 1.00 0.00 H new ATOM 252 N TYR A 18 16.658 -8.231 -1.853 1.00 0.00 N ATOM 253 CA TYR A 18 15.668 -8.949 -1.067 1.00 0.00 C ATOM 254 C TYR A 18 16.097 -10.397 -0.847 1.00 0.00 C ATOM 255 O TYR A 18 17.051 -10.898 -1.451 1.00 0.00 O ATOM 256 CB TYR A 18 14.289 -8.831 -1.737 1.00 0.00 C ATOM 257 CG TYR A 18 13.653 -7.452 -1.693 1.00 0.00 C ATOM 258 CD1 TYR A 18 14.327 -6.350 -1.132 1.00 0.00 C ATOM 259 CD2 TYR A 18 12.372 -7.263 -2.242 1.00 0.00 C ATOM 260 CE1 TYR A 18 13.755 -5.076 -1.161 1.00 0.00 C ATOM 261 CE2 TYR A 18 11.784 -5.985 -2.273 1.00 0.00 C ATOM 262 CZ TYR A 18 12.470 -4.890 -1.702 1.00 0.00 C ATOM 263 OH TYR A 18 11.885 -3.670 -1.598 1.00 0.00 O ATOM 0 H TYR A 18 16.373 -8.052 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 18 15.590 -8.499 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 18 14.385 -9.134 -2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 18 13.612 -9.539 -1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 18 15.295 -6.491 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.834 -8.108 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 18 14.301 -4.231 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.816 -5.842 -2.730 1.00 0.00 H new ATOM 0 HH TYR A 18 11.938 -3.360 -0.670 1.00 0.00 H new ATOM 273 N GLN A 19 15.366 -11.056 0.042 1.00 0.00 N ATOM 274 CA GLN A 19 15.524 -12.450 0.408 1.00 0.00 C ATOM 275 C GLN A 19 14.279 -13.191 -0.063 1.00 0.00 C ATOM 276 O GLN A 19 13.220 -13.071 0.554 1.00 0.00 O ATOM 277 CB GLN A 19 15.685 -12.572 1.926 1.00 0.00 C ATOM 278 CG GLN A 19 17.022 -12.029 2.456 1.00 0.00 C ATOM 279 CD GLN A 19 17.225 -12.243 3.961 1.00 0.00 C ATOM 280 OE1 GLN A 19 16.212 -12.655 4.703 1.00 0.00 O flip ATOM 281 NE2 GLN A 19 18.314 -12.027 4.488 1.00 0.00 N flip ATOM 0 H GLN A 19 14.607 -10.605 0.552 1.00 0.00 H new ATOM 0 HA GLN A 19 16.412 -12.878 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.869 -12.038 2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.592 -13.621 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.838 -12.510 1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 19 17.082 -10.963 2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 19 19.100 -11.709 3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 19 18.431 -12.166 5.492 1.00 0.00 H new ATOM 290 N TYR A 20 14.362 -13.906 -1.179 1.00 0.00 N ATOM 291 CA TYR A 20 13.311 -14.818 -1.600 1.00 0.00 C ATOM 292 C TYR A 20 13.214 -15.995 -0.631 1.00 0.00 C ATOM 293 O TYR A 20 14.236 -16.477 -0.134 1.00 0.00 O ATOM 294 CB TYR A 20 13.670 -15.291 -3.000 1.00 0.00 C ATOM 295 CG TYR A 20 12.643 -16.146 -3.688 1.00 0.00 C ATOM 296 CD1 TYR A 20 11.503 -15.545 -4.244 1.00 0.00 C ATOM 297 CD2 TYR A 20 12.838 -17.532 -3.789 1.00 0.00 C ATOM 298 CE1 TYR A 20 10.593 -16.317 -4.987 1.00 0.00 C ATOM 299 CE2 TYR A 20 11.913 -18.317 -4.488 1.00 0.00 C ATOM 300 CZ TYR A 20 10.801 -17.710 -5.119 1.00 0.00 C ATOM 301 OH TYR A 20 9.874 -18.467 -5.764 1.00 0.00 O ATOM 0 H TYR A 20 15.159 -13.868 -1.815 1.00 0.00 H new ATOM 0 HA TYR A 20 12.339 -14.325 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 20 13.860 -14.415 -3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 20 14.603 -15.852 -2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 20 11.325 -14.489 -4.101 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.700 -17.992 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.739 -15.849 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.048 -19.387 -4.546 1.00 0.00 H new ATOM 0 HH TYR A 20 10.164 -19.403 -5.771 1.00 0.00 H new ATOM 311 N ASP A 21 12.009 -16.522 -0.425 1.00 0.00 N ATOM 312 CA ASP A 21 11.767 -17.659 0.476 1.00 0.00 C ATOM 313 C ASP A 21 10.966 -18.741 -0.225 1.00 0.00 C ATOM 314 O ASP A 21 9.734 -18.704 -0.244 1.00 0.00 O ATOM 315 CB ASP A 21 11.058 -17.206 1.757 1.00 0.00 C ATOM 316 CG ASP A 21 12.049 -17.018 2.893 1.00 0.00 C ATOM 317 OD1 ASP A 21 12.661 -18.033 3.296 1.00 0.00 O ATOM 318 OD2 ASP A 21 12.257 -15.870 3.342 1.00 0.00 O ATOM 0 H ASP A 21 11.164 -16.174 -0.879 1.00 0.00 H new ATOM 0 HA ASP A 21 12.735 -18.076 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.530 -16.271 1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.309 -17.944 2.042 1.00 0.00 H new ATOM 323 N GLU A 22 11.639 -19.663 -0.912 1.00 0.00 N ATOM 324 CA GLU A 22 10.984 -20.613 -1.819 1.00 0.00 C ATOM 325 C GLU A 22 9.927 -21.493 -1.145 1.00 0.00 C ATOM 326 O GLU A 22 9.022 -21.982 -1.825 1.00 0.00 O ATOM 327 CB GLU A 22 11.992 -21.510 -2.535 1.00 0.00 C ATOM 328 CG GLU A 22 13.142 -22.069 -1.712 1.00 0.00 C ATOM 329 CD GLU A 22 13.565 -23.413 -2.298 1.00 0.00 C ATOM 330 OE1 GLU A 22 14.326 -23.424 -3.294 1.00 0.00 O ATOM 331 OE2 GLU A 22 13.036 -24.452 -1.840 1.00 0.00 O ATOM 0 H GLU A 22 12.651 -19.775 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 22 10.472 -19.980 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.448 -22.350 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.416 -20.944 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.982 -21.374 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.837 -22.191 -0.673 1.00 0.00 H new ATOM 338 N THR A 23 10.008 -21.653 0.174 1.00 0.00 N ATOM 339 CA THR A 23 9.022 -22.358 0.984 1.00 0.00 C ATOM 340 C THR A 23 7.614 -21.741 0.865 1.00 0.00 C ATOM 341 O THR A 23 6.637 -22.430 1.170 1.00 0.00 O ATOM 342 CB THR A 23 9.549 -22.446 2.432 1.00 0.00 C ATOM 343 OG1 THR A 23 8.915 -23.478 3.161 1.00 0.00 O ATOM 344 CG2 THR A 23 9.440 -21.137 3.221 1.00 0.00 C ATOM 0 H THR A 23 10.785 -21.284 0.723 1.00 0.00 H new ATOM 0 HA THR A 23 8.894 -23.373 0.609 1.00 0.00 H new ATOM 0 HB THR A 23 10.610 -22.669 2.318 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.275 -23.504 4.072 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.832 -21.285 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.016 -20.360 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.395 -20.833 3.279 1.00 0.00 H new ATOM 352 N SER A 24 7.480 -20.485 0.410 1.00 0.00 N ATOM 353 CA SER A 24 6.184 -19.842 0.214 1.00 0.00 C ATOM 354 C SER A 24 6.064 -19.028 -1.086 1.00 0.00 C ATOM 355 O SER A 24 4.939 -18.870 -1.570 1.00 0.00 O ATOM 356 CB SER A 24 5.855 -18.967 1.423 1.00 0.00 C ATOM 357 OG SER A 24 5.804 -19.701 2.631 1.00 0.00 O ATOM 0 H SER A 24 8.273 -19.891 0.169 1.00 0.00 H new ATOM 0 HA SER A 24 5.458 -20.649 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.605 -18.181 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.896 -18.476 1.260 1.00 0.00 H new ATOM 0 HG SER A 24 5.592 -19.096 3.373 1.00 0.00 H new ATOM 363 N GLY A 25 7.160 -18.552 -1.690 1.00 0.00 N ATOM 364 CA GLY A 25 7.130 -17.949 -3.031 1.00 0.00 C ATOM 365 C GLY A 25 7.094 -16.414 -3.066 1.00 0.00 C ATOM 366 O GLY A 25 6.665 -15.855 -4.074 1.00 0.00 O ATOM 0 H GLY A 25 8.088 -18.573 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.008 -18.287 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.256 -18.328 -3.561 1.00 0.00 H new ATOM 370 N TYR A 26 7.489 -15.718 -1.991 1.00 0.00 N ATOM 371 CA TYR A 26 7.586 -14.256 -1.931 1.00 0.00 C ATOM 372 C TYR A 26 9.007 -13.831 -1.558 1.00 0.00 C ATOM 373 O TYR A 26 9.834 -14.633 -1.120 1.00 0.00 O ATOM 374 CB TYR A 26 6.607 -13.692 -0.890 1.00 0.00 C ATOM 375 CG TYR A 26 5.189 -13.461 -1.365 1.00 0.00 C ATOM 376 CD1 TYR A 26 4.418 -14.519 -1.880 1.00 0.00 C ATOM 377 CD2 TYR A 26 4.617 -12.184 -1.232 1.00 0.00 C ATOM 378 CE1 TYR A 26 3.072 -14.323 -2.223 1.00 0.00 C ATOM 379 CE2 TYR A 26 3.274 -11.977 -1.580 1.00 0.00 C ATOM 380 CZ TYR A 26 2.491 -13.046 -2.073 1.00 0.00 C ATOM 381 OH TYR A 26 1.175 -12.860 -2.366 1.00 0.00 O ATOM 0 H TYR A 26 7.757 -16.170 -1.117 1.00 0.00 H new ATOM 0 HA TYR A 26 7.334 -13.862 -2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.577 -14.376 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.004 -12.746 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.867 -15.492 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.212 -11.362 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.483 -15.146 -2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.836 -10.996 -1.471 1.00 0.00 H new ATOM 0 HH TYR A 26 0.934 -11.923 -2.207 1.00 0.00 H new ATOM 391 N TYR A 27 9.267 -12.534 -1.685 1.00 0.00 N ATOM 392 CA TYR A 27 10.493 -11.884 -1.270 1.00 0.00 C ATOM 393 C TYR A 27 10.262 -11.147 0.044 1.00 0.00 C ATOM 394 O TYR A 27 9.164 -10.652 0.291 1.00 0.00 O ATOM 395 CB TYR A 27 10.893 -10.867 -2.336 1.00 0.00 C ATOM 396 CG TYR A 27 11.264 -11.471 -3.668 1.00 0.00 C ATOM 397 CD1 TYR A 27 10.260 -11.803 -4.596 1.00 0.00 C ATOM 398 CD2 TYR A 27 12.615 -11.726 -3.963 1.00 0.00 C ATOM 399 CE1 TYR A 27 10.611 -12.374 -5.827 1.00 0.00 C ATOM 400 CE2 TYR A 27 12.971 -12.291 -5.195 1.00 0.00 C ATOM 401 CZ TYR A 27 11.966 -12.594 -6.140 1.00 0.00 C ATOM 402 OH TYR A 27 12.274 -13.132 -7.343 1.00 0.00 O ATOM 0 H TYR A 27 8.597 -11.885 -2.098 1.00 0.00 H new ATOM 0 HA TYR A 27 11.277 -12.630 -1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.067 -10.171 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.738 -10.286 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.222 -11.618 -4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.380 -11.486 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.842 -12.645 -6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.008 -12.494 -5.421 1.00 0.00 H new ATOM 0 HH TYR A 27 13.246 -13.225 -7.420 1.00 0.00 H new ATOM 412 N TYR A 28 11.321 -10.971 0.824 1.00 0.00 N ATOM 413 CA TYR A 28 11.370 -10.165 2.034 1.00 0.00 C ATOM 414 C TYR A 28 12.398 -9.050 1.839 1.00 0.00 C ATOM 415 O TYR A 28 13.446 -9.274 1.233 1.00 0.00 O ATOM 416 CB TYR A 28 11.769 -11.067 3.202 1.00 0.00 C ATOM 417 CG TYR A 28 12.114 -10.343 4.483 1.00 0.00 C ATOM 418 CD1 TYR A 28 11.102 -9.713 5.229 1.00 0.00 C ATOM 419 CD2 TYR A 28 13.447 -10.316 4.932 1.00 0.00 C ATOM 420 CE1 TYR A 28 11.411 -9.109 6.461 1.00 0.00 C ATOM 421 CE2 TYR A 28 13.771 -9.697 6.147 1.00 0.00 C ATOM 422 CZ TYR A 28 12.749 -9.106 6.921 1.00 0.00 C ATOM 423 OH TYR A 28 13.050 -8.591 8.142 1.00 0.00 O ATOM 0 H TYR A 28 12.217 -11.412 0.617 1.00 0.00 H new ATOM 0 HA TYR A 28 10.399 -9.717 2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.951 -11.758 3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 28 12.627 -11.668 2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.089 -9.693 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.224 -10.774 4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.632 -8.650 7.052 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.795 -9.672 6.489 1.00 0.00 H new ATOM 0 HH TYR A 28 14.014 -8.669 8.301 1.00 0.00 H new ATOM 433 N ASP A 29 12.117 -7.871 2.386 1.00 0.00 N ATOM 434 CA ASP A 29 12.898 -6.640 2.262 1.00 0.00 C ATOM 435 C ASP A 29 13.659 -6.313 3.550 1.00 0.00 C ATOM 436 O ASP A 29 13.117 -5.600 4.394 1.00 0.00 O ATOM 437 CB ASP A 29 12.042 -5.452 1.808 1.00 0.00 C ATOM 438 CG ASP A 29 12.851 -4.173 1.586 1.00 0.00 C ATOM 439 OD1 ASP A 29 14.085 -4.207 1.765 1.00 0.00 O ATOM 440 OD2 ASP A 29 12.247 -3.159 1.150 1.00 0.00 O ATOM 0 H ASP A 29 11.287 -7.739 2.964 1.00 0.00 H new ATOM 0 HA ASP A 29 13.636 -6.822 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.530 -5.715 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.272 -5.261 2.555 1.00 0.00 H new ATOM 445 N PRO A 30 14.883 -6.825 3.768 1.00 0.00 N ATOM 446 CA PRO A 30 15.694 -6.485 4.940 1.00 0.00 C ATOM 447 C PRO A 30 16.060 -4.999 5.059 1.00 0.00 C ATOM 448 O PRO A 30 16.664 -4.586 6.055 1.00 0.00 O ATOM 449 CB PRO A 30 16.971 -7.308 4.804 1.00 0.00 C ATOM 450 CG PRO A 30 17.083 -7.612 3.312 1.00 0.00 C ATOM 451 CD PRO A 30 15.638 -7.650 2.841 1.00 0.00 C ATOM 0 HA PRO A 30 15.116 -6.702 5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 30 17.839 -6.753 5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 30 16.915 -8.225 5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.654 -6.845 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.587 -8.562 3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.551 -7.270 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.259 -8.672 2.833 1.00 0.00 H new ATOM 459 N GLN A 31 15.751 -4.175 4.061 1.00 0.00 N ATOM 460 CA GLN A 31 15.951 -2.738 4.172 1.00 0.00 C ATOM 461 C GLN A 31 14.881 -2.100 5.068 1.00 0.00 C ATOM 462 O GLN A 31 15.089 -0.978 5.530 1.00 0.00 O ATOM 463 CB GLN A 31 15.921 -2.050 2.797 1.00 0.00 C ATOM 464 CG GLN A 31 16.890 -2.671 1.776 1.00 0.00 C ATOM 465 CD GLN A 31 17.002 -1.843 0.497 1.00 0.00 C ATOM 466 OE1 GLN A 31 16.732 -2.422 -0.665 1.00 0.00 O flip ATOM 467 NE2 GLN A 31 17.380 -0.670 0.520 1.00 0.00 N flip ATOM 0 H GLN A 31 15.362 -4.480 3.169 1.00 0.00 H new ATOM 0 HA GLN A 31 16.935 -2.595 4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.908 -2.097 2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.166 -0.995 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.876 -2.769 2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.553 -3.677 1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.589 -0.219 1.411 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.484 -0.150 -0.352 1.00 0.00 H new ATOM 476 N THR A 32 13.741 -2.767 5.280 1.00 0.00 N ATOM 477 CA THR A 32 12.545 -2.163 5.863 1.00 0.00 C ATOM 478 C THR A 32 11.790 -3.117 6.784 1.00 0.00 C ATOM 479 O THR A 32 11.283 -2.701 7.831 1.00 0.00 O ATOM 480 CB THR A 32 11.606 -1.737 4.728 1.00 0.00 C ATOM 481 OG1 THR A 32 11.390 -2.800 3.815 1.00 0.00 O ATOM 482 CG2 THR A 32 12.152 -0.521 3.988 1.00 0.00 C ATOM 0 H THR A 32 13.625 -3.753 5.048 1.00 0.00 H new ATOM 0 HA THR A 32 12.868 -1.312 6.462 1.00 0.00 H new ATOM 0 HB THR A 32 10.652 -1.469 5.182 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.529 -3.226 4.007 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.465 -0.242 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.256 0.312 4.684 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.126 -0.762 3.561 1.00 0.00 H new ATOM 490 N GLY A 33 11.686 -4.380 6.382 1.00 0.00 N ATOM 491 CA GLY A 33 10.939 -5.407 7.080 1.00 0.00 C ATOM 492 C GLY A 33 9.537 -5.575 6.505 1.00 0.00 C ATOM 493 O GLY A 33 8.586 -5.753 7.270 1.00 0.00 O ATOM 0 H GLY A 33 12.136 -4.722 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.475 -6.354 7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.870 -5.152 8.137 1.00 0.00 H new ATOM 497 N LEU A 34 9.391 -5.520 5.178 1.00 0.00 N ATOM 498 CA LEU A 34 8.144 -5.809 4.455 1.00 0.00 C ATOM 499 C LEU A 34 8.352 -7.048 3.577 1.00 0.00 C ATOM 500 O LEU A 34 9.502 -7.421 3.327 1.00 0.00 O ATOM 501 CB LEU A 34 7.775 -4.610 3.562 1.00 0.00 C ATOM 502 CG LEU A 34 7.570 -3.282 4.323 1.00 0.00 C ATOM 503 CD1 LEU A 34 7.873 -2.107 3.388 1.00 0.00 C ATOM 504 CD2 LEU A 34 6.151 -3.191 4.900 1.00 0.00 C ATOM 0 H LEU A 34 10.159 -5.266 4.556 1.00 0.00 H new ATOM 0 HA LEU A 34 7.340 -5.989 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.561 -4.471 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.861 -4.847 3.018 1.00 0.00 H new ATOM 0 HG LEU A 34 8.259 -3.243 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.729 -1.169 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.905 -2.173 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.201 -2.142 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.034 -2.246 5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.424 -3.244 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.985 -4.018 5.591 1.00 0.00 H new ATOM 516 N TYR A 35 7.283 -7.642 3.038 1.00 0.00 N ATOM 517 CA TYR A 35 7.375 -8.637 1.967 1.00 0.00 C ATOM 518 C TYR A 35 6.910 -8.035 0.640 1.00 0.00 C ATOM 519 O TYR A 35 6.189 -7.034 0.624 1.00 0.00 O ATOM 520 CB TYR A 35 6.575 -9.901 2.300 1.00 0.00 C ATOM 521 CG TYR A 35 7.270 -10.808 3.297 1.00 0.00 C ATOM 522 CD1 TYR A 35 7.315 -10.459 4.661 1.00 0.00 C ATOM 523 CD2 TYR A 35 7.912 -11.985 2.858 1.00 0.00 C ATOM 524 CE1 TYR A 35 7.994 -11.277 5.581 1.00 0.00 C ATOM 525 CE2 TYR A 35 8.552 -12.825 3.779 1.00 0.00 C ATOM 526 CZ TYR A 35 8.609 -12.473 5.145 1.00 0.00 C ATOM 527 OH TYR A 35 9.252 -13.277 6.037 1.00 0.00 O ATOM 0 H TYR A 35 6.327 -7.445 3.334 1.00 0.00 H new ATOM 0 HA TYR A 35 8.421 -8.929 1.872 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.603 -9.612 2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.390 -10.458 1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.825 -9.559 5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.910 -12.240 1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.046 -10.992 6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.004 -13.746 3.442 1.00 0.00 H new ATOM 0 HH TYR A 35 9.617 -14.058 5.570 1.00 0.00 H new ATOM 537 N TYR A 36 7.307 -8.669 -0.463 1.00 0.00 N ATOM 538 CA TYR A 36 7.089 -8.240 -1.836 1.00 0.00 C ATOM 539 C TYR A 36 6.793 -9.466 -2.707 1.00 0.00 C ATOM 540 O TYR A 36 7.293 -10.559 -2.428 1.00 0.00 O ATOM 541 CB TYR A 36 8.347 -7.490 -2.305 1.00 0.00 C ATOM 542 CG TYR A 36 8.408 -7.166 -3.784 1.00 0.00 C ATOM 543 CD1 TYR A 36 8.960 -8.093 -4.686 1.00 0.00 C ATOM 544 CD2 TYR A 36 7.915 -5.935 -4.257 1.00 0.00 C ATOM 545 CE1 TYR A 36 9.023 -7.793 -6.057 1.00 0.00 C ATOM 546 CE2 TYR A 36 8.012 -5.609 -5.620 1.00 0.00 C ATOM 547 CZ TYR A 36 8.577 -6.540 -6.527 1.00 0.00 C ATOM 548 OH TYR A 36 8.696 -6.252 -7.853 1.00 0.00 O ATOM 0 H TYR A 36 7.820 -9.549 -0.414 1.00 0.00 H new ATOM 0 HA TYR A 36 6.233 -7.569 -1.914 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.422 -6.558 -1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.221 -8.088 -2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.337 -9.038 -4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.460 -5.238 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.413 -8.522 -6.752 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.657 -4.653 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 36 8.874 -7.076 -8.352 1.00 0.00 H new ATOM 558 N ASP A 37 6.038 -9.284 -3.788 1.00 0.00 N ATOM 559 CA ASP A 37 5.732 -10.297 -4.797 1.00 0.00 C ATOM 560 C ASP A 37 6.144 -9.762 -6.176 1.00 0.00 C ATOM 561 O ASP A 37 5.947 -8.578 -6.470 1.00 0.00 O ATOM 562 CB ASP A 37 4.224 -10.565 -4.810 1.00 0.00 C ATOM 563 CG ASP A 37 3.796 -11.590 -5.862 1.00 0.00 C ATOM 564 OD1 ASP A 37 3.750 -11.263 -7.071 1.00 0.00 O ATOM 565 OD2 ASP A 37 3.478 -12.750 -5.514 1.00 0.00 O ATOM 0 H ASP A 37 5.603 -8.385 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 37 6.270 -11.217 -4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.917 -10.917 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.698 -9.628 -4.992 1.00 0.00 H new ATOM 570 N PRO A 38 6.655 -10.623 -7.070 1.00 0.00 N ATOM 571 CA PRO A 38 7.224 -10.202 -8.347 1.00 0.00 C ATOM 572 C PRO A 38 6.199 -9.845 -9.432 1.00 0.00 C ATOM 573 O PRO A 38 6.547 -9.142 -10.381 1.00 0.00 O ATOM 574 CB PRO A 38 8.084 -11.391 -8.791 1.00 0.00 C ATOM 575 CG PRO A 38 7.341 -12.579 -8.180 1.00 0.00 C ATOM 576 CD PRO A 38 6.921 -12.031 -6.833 1.00 0.00 C ATOM 0 HA PRO A 38 7.779 -9.274 -8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.145 -11.465 -9.877 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.106 -11.315 -8.418 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.484 -12.878 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.983 -13.455 -8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.035 -12.543 -6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.707 -12.165 -6.089 1.00 0.00 H new ATOM 584 N ASN A 39 4.957 -10.318 -9.342 1.00 0.00 N ATOM 585 CA ASN A 39 3.863 -9.980 -10.226 1.00 0.00 C ATOM 586 C ASN A 39 3.080 -8.802 -9.660 1.00 0.00 C ATOM 587 O ASN A 39 2.504 -8.011 -10.409 1.00 0.00 O ATOM 588 CB ASN A 39 2.893 -11.156 -10.255 1.00 0.00 C ATOM 589 CG ASN A 39 3.464 -12.430 -10.853 1.00 0.00 C ATOM 590 OD1 ASN A 39 4.012 -12.425 -11.950 1.00 0.00 O ATOM 591 ND2 ASN A 39 3.417 -13.530 -10.119 1.00 0.00 N ATOM 0 H ASN A 39 4.682 -10.977 -8.614 1.00 0.00 H new ATOM 0 HA ASN A 39 4.266 -9.743 -11.211 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.563 -11.364 -9.237 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.009 -10.867 -10.824 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.841 -14.391 -10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.957 -13.516 -9.209 1.00 0.00 H new ATOM 598 N SER A 40 2.991 -8.734 -8.333 1.00 0.00 N ATOM 599 CA SER A 40 2.060 -7.872 -7.628 1.00 0.00 C ATOM 600 C SER A 40 2.839 -7.001 -6.655 1.00 0.00 C ATOM 601 O SER A 40 2.941 -7.302 -5.470 1.00 0.00 O ATOM 602 CB SER A 40 0.909 -8.694 -7.017 1.00 0.00 C ATOM 603 OG SER A 40 1.322 -9.760 -6.195 1.00 0.00 O ATOM 0 H SER A 40 3.578 -9.290 -7.711 1.00 0.00 H new ATOM 0 HA SER A 40 1.557 -7.186 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.274 -8.027 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.296 -9.092 -7.825 1.00 0.00 H new ATOM 0 HG SER A 40 0.535 -10.229 -5.847 1.00 0.00 H new ATOM 609 N GLN A 41 3.375 -5.886 -7.158 1.00 0.00 N ATOM 610 CA GLN A 41 4.241 -4.925 -6.461 1.00 0.00 C ATOM 611 C GLN A 41 3.621 -4.299 -5.190 1.00 0.00 C ATOM 612 O GLN A 41 4.260 -3.483 -4.526 1.00 0.00 O ATOM 613 CB GLN A 41 4.666 -3.831 -7.453 1.00 0.00 C ATOM 614 CG GLN A 41 5.745 -4.287 -8.445 1.00 0.00 C ATOM 615 CD GLN A 41 5.362 -5.464 -9.340 1.00 0.00 C ATOM 616 OE1 GLN A 41 4.293 -5.482 -9.947 1.00 0.00 O ATOM 617 NE2 GLN A 41 6.215 -6.468 -9.436 1.00 0.00 N ATOM 0 H GLN A 41 3.206 -5.610 -8.125 1.00 0.00 H new ATOM 0 HA GLN A 41 5.104 -5.485 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.790 -3.497 -8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.037 -2.971 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.010 -3.442 -9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.639 -4.557 -7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.098 -6.438 -8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.991 -7.274 -10.020 1.00 0.00 H new ATOM 626 N TYR A 42 2.381 -4.648 -4.845 1.00 0.00 N ATOM 627 CA TYR A 42 1.732 -4.324 -3.586 1.00 0.00 C ATOM 628 C TYR A 42 2.483 -5.049 -2.474 1.00 0.00 C ATOM 629 O TYR A 42 2.446 -6.282 -2.402 1.00 0.00 O ATOM 630 CB TYR A 42 0.248 -4.720 -3.644 1.00 0.00 C ATOM 631 CG TYR A 42 -0.415 -4.162 -4.886 1.00 0.00 C ATOM 632 CD1 TYR A 42 -0.651 -2.779 -4.994 1.00 0.00 C ATOM 633 CD2 TYR A 42 -0.657 -5.007 -5.984 1.00 0.00 C ATOM 634 CE1 TYR A 42 -1.128 -2.240 -6.201 1.00 0.00 C ATOM 635 CE2 TYR A 42 -1.112 -4.475 -7.200 1.00 0.00 C ATOM 636 CZ TYR A 42 -1.345 -3.090 -7.312 1.00 0.00 C ATOM 637 OH TYR A 42 -1.747 -2.589 -8.508 1.00 0.00 O ATOM 0 H TYR A 42 1.780 -5.188 -5.467 1.00 0.00 H new ATOM 0 HA TYR A 42 1.762 -3.252 -3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.157 -5.806 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.265 -4.351 -2.756 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.466 -2.132 -4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.492 -6.070 -5.891 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.328 -1.182 -6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.283 -5.124 -8.046 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.844 -3.320 -9.153 1.00 0.00 H new ATOM 647 N TYR A 43 3.239 -4.307 -1.671 1.00 0.00 N ATOM 648 CA TYR A 43 4.033 -4.846 -0.580 1.00 0.00 C ATOM 649 C TYR A 43 3.094 -5.422 0.475 1.00 0.00 C ATOM 650 O TYR A 43 2.061 -4.822 0.788 1.00 0.00 O ATOM 651 CB TYR A 43 4.894 -3.740 0.032 1.00 0.00 C ATOM 652 CG TYR A 43 6.061 -3.304 -0.832 1.00 0.00 C ATOM 653 CD1 TYR A 43 5.866 -2.381 -1.874 1.00 0.00 C ATOM 654 CD2 TYR A 43 7.340 -3.849 -0.619 1.00 0.00 C ATOM 655 CE1 TYR A 43 6.935 -2.013 -2.706 1.00 0.00 C ATOM 656 CE2 TYR A 43 8.420 -3.472 -1.440 1.00 0.00 C ATOM 657 CZ TYR A 43 8.220 -2.552 -2.494 1.00 0.00 C ATOM 658 OH TYR A 43 9.248 -2.179 -3.306 1.00 0.00 O ATOM 0 H TYR A 43 3.316 -3.294 -1.765 1.00 0.00 H new ATOM 0 HA TYR A 43 4.690 -5.631 -0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.263 -2.874 0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.278 -4.084 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.888 -1.952 -2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.495 -4.561 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.772 -1.313 -3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.402 -3.886 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 43 10.068 -2.638 -3.028 1.00 0.00 H new ATOM 668 N TYR A 44 3.471 -6.556 1.058 1.00 0.00 N ATOM 669 CA TYR A 44 2.746 -7.179 2.145 1.00 0.00 C ATOM 670 C TYR A 44 3.376 -6.736 3.449 1.00 0.00 C ATOM 671 O TYR A 44 4.510 -7.081 3.794 1.00 0.00 O ATOM 672 CB TYR A 44 2.720 -8.693 2.010 1.00 0.00 C ATOM 673 CG TYR A 44 2.032 -9.390 3.172 1.00 0.00 C ATOM 674 CD1 TYR A 44 0.652 -9.203 3.383 1.00 0.00 C ATOM 675 CD2 TYR A 44 2.766 -10.209 4.051 1.00 0.00 C ATOM 676 CE1 TYR A 44 -0.003 -9.872 4.431 1.00 0.00 C ATOM 677 CE2 TYR A 44 2.118 -10.873 5.108 1.00 0.00 C ATOM 678 CZ TYR A 44 0.726 -10.718 5.294 1.00 0.00 C ATOM 679 OH TYR A 44 0.090 -11.344 6.323 1.00 0.00 O ATOM 0 H TYR A 44 4.305 -7.072 0.778 1.00 0.00 H new ATOM 0 HA TYR A 44 1.703 -6.863 2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.211 -8.959 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.743 -9.061 1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.094 -8.542 2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.831 -10.328 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.065 -9.739 4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.685 -11.502 5.778 1.00 0.00 H new ATOM 0 HH TYR A 44 0.733 -11.890 6.821 1.00 0.00 H new ATOM 689 N ASN A 45 2.626 -5.913 4.160 1.00 0.00 N ATOM 690 CA ASN A 45 2.947 -5.452 5.486 1.00 0.00 C ATOM 691 C ASN A 45 2.498 -6.507 6.486 1.00 0.00 C ATOM 692 O ASN A 45 1.447 -6.352 7.108 1.00 0.00 O ATOM 693 CB ASN A 45 2.255 -4.110 5.715 1.00 0.00 C ATOM 694 CG ASN A 45 2.525 -3.596 7.113 1.00 0.00 C ATOM 695 OD1 ASN A 45 3.639 -3.706 7.605 1.00 0.00 O ATOM 696 ND2 ASN A 45 1.527 -3.051 7.782 1.00 0.00 N ATOM 0 H ASN A 45 1.745 -5.537 3.810 1.00 0.00 H new ATOM 0 HA ASN A 45 4.019 -5.303 5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.607 -3.385 4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.181 -4.219 5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.676 -2.710 8.732 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.607 -2.971 7.349 1.00 0.00 H new ATOM 703 N ALA A 46 3.304 -7.562 6.661 1.00 0.00 N ATOM 704 CA ALA A 46 3.061 -8.663 7.601 1.00 0.00 C ATOM 705 C ALA A 46 2.639 -8.161 8.984 1.00 0.00 C ATOM 706 O ALA A 46 1.778 -8.747 9.634 1.00 0.00 O ATOM 707 CB ALA A 46 4.339 -9.491 7.750 1.00 0.00 C ATOM 0 H ALA A 46 4.171 -7.676 6.135 1.00 0.00 H new ATOM 0 HA ALA A 46 2.248 -9.265 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.163 -10.310 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.625 -9.896 6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.141 -8.858 8.129 1.00 0.00 H new ATOM 713 N GLN A 47 3.209 -7.027 9.386 1.00 0.00 N ATOM 714 CA GLN A 47 2.971 -6.299 10.610 1.00 0.00 C ATOM 715 C GLN A 47 1.479 -6.188 10.927 1.00 0.00 C ATOM 716 O GLN A 47 1.065 -6.541 12.035 1.00 0.00 O ATOM 717 CB GLN A 47 3.599 -4.922 10.399 1.00 0.00 C ATOM 718 CG GLN A 47 4.325 -4.396 11.620 1.00 0.00 C ATOM 719 CD GLN A 47 4.711 -2.937 11.380 1.00 0.00 C ATOM 720 OE1 GLN A 47 4.377 -2.058 12.168 1.00 0.00 O ATOM 721 NE2 GLN A 47 5.377 -2.624 10.283 1.00 0.00 N ATOM 0 H GLN A 47 3.908 -6.562 8.807 1.00 0.00 H new ATOM 0 HA GLN A 47 3.410 -6.814 11.464 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.298 -4.974 9.565 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.819 -4.215 10.117 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.688 -4.477 12.501 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.215 -4.994 11.815 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.654 -3.356 9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.614 -1.651 10.090 1.00 0.00 H new ATOM 730 N SER A 48 0.679 -5.748 9.957 1.00 0.00 N ATOM 731 CA SER A 48 -0.757 -5.547 10.090 1.00 0.00 C ATOM 732 C SER A 48 -1.519 -6.298 9.002 1.00 0.00 C ATOM 733 O SER A 48 -2.654 -5.945 8.687 1.00 0.00 O ATOM 734 CB SER A 48 -1.054 -4.040 10.074 1.00 0.00 C ATOM 735 OG SER A 48 -0.234 -3.336 10.990 1.00 0.00 O ATOM 0 H SER A 48 1.028 -5.515 9.027 1.00 0.00 H new ATOM 0 HA SER A 48 -1.099 -5.956 11.040 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.897 -3.648 9.069 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.102 -3.873 10.321 1.00 0.00 H new ATOM 0 HG SER A 48 -0.448 -2.380 10.953 1.00 0.00 H new ATOM 741 N GLN A 49 -0.863 -7.290 8.394 1.00 0.00 N ATOM 742 CA GLN A 49 -1.311 -8.096 7.263 1.00 0.00 C ATOM 743 C GLN A 49 -1.815 -7.252 6.075 1.00 0.00 C ATOM 744 O GLN A 49 -2.535 -7.728 5.199 1.00 0.00 O ATOM 745 CB GLN A 49 -2.281 -9.165 7.795 1.00 0.00 C ATOM 746 CG GLN A 49 -1.602 -10.004 8.906 1.00 0.00 C ATOM 747 CD GLN A 49 -2.104 -9.798 10.335 1.00 0.00 C ATOM 748 OE1 GLN A 49 -2.767 -8.825 10.701 1.00 0.00 O ATOM 749 NE2 GLN A 49 -1.747 -10.719 11.212 1.00 0.00 N ATOM 0 H GLN A 49 0.067 -7.569 8.707 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.469 -8.620 6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.179 -8.688 8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.597 -9.816 6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.719 -11.058 8.654 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.534 -9.789 8.888 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.199 -11.525 10.911 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.020 -10.625 12.190 1.00 0.00 H new ATOM 758 N GLN A 50 -1.436 -5.972 6.052 1.00 0.00 N ATOM 759 CA GLN A 50 -1.950 -4.967 5.146 1.00 0.00 C ATOM 760 C GLN A 50 -1.206 -4.988 3.816 1.00 0.00 C ATOM 761 O GLN A 50 -0.120 -5.558 3.713 1.00 0.00 O ATOM 762 CB GLN A 50 -1.883 -3.601 5.836 1.00 0.00 C ATOM 763 CG GLN A 50 -3.161 -2.778 5.633 1.00 0.00 C ATOM 764 CD GLN A 50 -4.437 -3.342 6.270 1.00 0.00 C ATOM 765 OE1 GLN A 50 -5.488 -2.717 6.166 1.00 0.00 O ATOM 766 NE2 GLN A 50 -4.421 -4.472 6.959 1.00 0.00 N ATOM 0 H GLN A 50 -0.734 -5.602 6.693 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.991 -5.183 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.713 -3.744 6.903 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.030 -3.043 5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.992 -1.778 6.032 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.332 -2.669 4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.553 -5.000 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.276 -4.815 7.397 1.00 0.00 H new ATOM 775 N TYR A 51 -1.786 -4.352 2.799 1.00 0.00 N ATOM 776 CA TYR A 51 -1.246 -4.325 1.455 1.00 0.00 C ATOM 777 C TYR A 51 -0.971 -2.858 1.153 1.00 0.00 C ATOM 778 O TYR A 51 -1.861 -2.006 1.259 1.00 0.00 O ATOM 779 CB TYR A 51 -2.222 -4.927 0.438 1.00 0.00 C ATOM 780 CG TYR A 51 -2.250 -6.450 0.406 1.00 0.00 C ATOM 781 CD1 TYR A 51 -2.421 -7.193 1.589 1.00 0.00 C ATOM 782 CD2 TYR A 51 -2.064 -7.135 -0.810 1.00 0.00 C ATOM 783 CE1 TYR A 51 -2.387 -8.593 1.584 1.00 0.00 C ATOM 784 CE2 TYR A 51 -2.043 -8.543 -0.833 1.00 0.00 C ATOM 785 CZ TYR A 51 -2.182 -9.278 0.371 1.00 0.00 C ATOM 786 OH TYR A 51 -2.087 -10.635 0.391 1.00 0.00 O ATOM 0 H TYR A 51 -2.659 -3.834 2.896 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.341 -4.928 1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.226 -4.563 0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.962 -4.561 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.582 -6.672 2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.937 -6.579 -1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.517 -9.143 2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.921 -9.064 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.947 -10.967 -0.521 1.00 0.00 H new ATOM 796 N LEU A 52 0.280 -2.554 0.847 1.00 0.00 N ATOM 797 CA LEU A 52 0.802 -1.204 0.709 1.00 0.00 C ATOM 798 C LEU A 52 1.430 -1.075 -0.673 1.00 0.00 C ATOM 799 O LEU A 52 1.524 -2.052 -1.411 1.00 0.00 O ATOM 800 CB LEU A 52 1.852 -0.949 1.802 1.00 0.00 C ATOM 801 CG LEU A 52 1.399 -1.210 3.252 1.00 0.00 C ATOM 802 CD1 LEU A 52 2.563 -0.918 4.196 1.00 0.00 C ATOM 803 CD2 LEU A 52 0.231 -0.336 3.704 1.00 0.00 C ATOM 0 H LEU A 52 0.988 -3.270 0.681 1.00 0.00 H new ATOM 0 HA LEU A 52 0.004 -0.469 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.720 -1.575 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.181 0.087 1.727 1.00 0.00 H new ATOM 0 HG LEU A 52 1.074 -2.250 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.252 -1.100 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.403 -1.568 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.867 0.123 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.028 -0.580 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.516 0.714 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.630 -0.518 3.060 1.00 0.00 H new ATOM 815 N TYR A 53 1.906 0.110 -1.026 1.00 0.00 N ATOM 816 CA TYR A 53 2.734 0.323 -2.196 1.00 0.00 C ATOM 817 C TYR A 53 3.893 1.231 -1.798 1.00 0.00 C ATOM 818 O TYR A 53 3.754 2.062 -0.893 1.00 0.00 O ATOM 819 CB TYR A 53 1.887 0.853 -3.362 1.00 0.00 C ATOM 820 CG TYR A 53 1.397 2.288 -3.263 1.00 0.00 C ATOM 821 CD1 TYR A 53 0.384 2.668 -2.360 1.00 0.00 C ATOM 822 CD2 TYR A 53 1.935 3.246 -4.136 1.00 0.00 C ATOM 823 CE1 TYR A 53 -0.035 4.006 -2.282 1.00 0.00 C ATOM 824 CE2 TYR A 53 1.496 4.575 -4.096 1.00 0.00 C ATOM 825 CZ TYR A 53 0.550 4.980 -3.133 1.00 0.00 C ATOM 826 OH TYR A 53 0.256 6.303 -3.013 1.00 0.00 O ATOM 0 H TYR A 53 1.723 0.962 -0.496 1.00 0.00 H new ATOM 0 HA TYR A 53 3.162 -0.611 -2.560 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.472 0.757 -4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.017 0.205 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.073 1.925 -1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.695 2.955 -4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.800 4.293 -1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.883 5.292 -4.805 1.00 0.00 H new ATOM 0 HH TYR A 53 1.014 6.837 -3.330 1.00 0.00 H new ATOM 836 N TRP A 54 5.050 1.047 -2.435 1.00 0.00 N ATOM 837 CA TRP A 54 6.131 2.020 -2.375 1.00 0.00 C ATOM 838 C TRP A 54 5.716 3.178 -3.268 1.00 0.00 C ATOM 839 O TRP A 54 5.246 2.955 -4.389 1.00 0.00 O ATOM 840 CB TRP A 54 7.452 1.414 -2.872 1.00 0.00 C ATOM 841 CG TRP A 54 8.571 2.400 -3.048 1.00 0.00 C ATOM 842 CD1 TRP A 54 9.151 2.718 -4.227 1.00 0.00 C ATOM 843 CD2 TRP A 54 9.204 3.264 -2.054 1.00 0.00 C ATOM 844 NE1 TRP A 54 10.085 3.713 -4.024 1.00 0.00 N ATOM 845 CE2 TRP A 54 10.152 4.103 -2.710 1.00 0.00 C ATOM 846 CE3 TRP A 54 9.065 3.437 -0.665 1.00 0.00 C ATOM 847 CZ2 TRP A 54 10.909 5.075 -2.036 1.00 0.00 C ATOM 848 CZ3 TRP A 54 9.805 4.410 0.027 1.00 0.00 C ATOM 849 CH2 TRP A 54 10.707 5.244 -0.657 1.00 0.00 C ATOM 0 H TRP A 54 5.259 0.225 -3.002 1.00 0.00 H new ATOM 0 HA TRP A 54 6.299 2.345 -1.348 1.00 0.00 H new ATOM 0 HB2 TRP A 54 7.771 0.646 -2.167 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.271 0.917 -3.825 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.919 2.264 -5.179 1.00 0.00 H new ATOM 0 HE1 TRP A 54 10.660 4.113 -4.766 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.376 2.809 -0.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.630 5.679 -2.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.680 4.518 1.094 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.244 6.014 -0.122 1.00 0.00 H new ATOM 860 N ASP A 55 5.902 4.406 -2.799 1.00 0.00 N ATOM 861 CA ASP A 55 5.595 5.589 -3.575 1.00 0.00 C ATOM 862 C ASP A 55 6.798 6.507 -3.560 1.00 0.00 C ATOM 863 O ASP A 55 6.982 7.298 -2.632 1.00 0.00 O ATOM 864 CB ASP A 55 4.330 6.291 -3.073 1.00 0.00 C ATOM 865 CG ASP A 55 3.803 7.276 -4.115 1.00 0.00 C ATOM 866 OD1 ASP A 55 4.536 7.572 -5.091 1.00 0.00 O ATOM 867 OD2 ASP A 55 2.620 7.674 -4.006 1.00 0.00 O ATOM 0 H ASP A 55 6.270 4.604 -1.869 1.00 0.00 H new ATOM 0 HA ASP A 55 5.382 5.297 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.563 5.550 -2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.547 6.819 -2.144 1.00 0.00 H new ATOM 872 N GLY A 56 7.639 6.408 -4.588 1.00 0.00 N ATOM 873 CA GLY A 56 8.792 7.280 -4.730 1.00 0.00 C ATOM 874 C GLY A 56 8.395 8.734 -4.968 1.00 0.00 C ATOM 875 O GLY A 56 9.202 9.629 -4.707 1.00 0.00 O ATOM 0 H GLY A 56 7.537 5.725 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.406 7.216 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.406 6.933 -5.561 1.00 0.00 H new ATOM 879 N GLU A 57 7.151 9.013 -5.380 1.00 0.00 N ATOM 880 CA GLU A 57 6.695 10.394 -5.506 1.00 0.00 C ATOM 881 C GLU A 57 6.587 11.021 -4.116 1.00 0.00 C ATOM 882 O GLU A 57 6.846 12.212 -3.948 1.00 0.00 O ATOM 883 CB GLU A 57 5.351 10.489 -6.233 1.00 0.00 C ATOM 884 CG GLU A 57 5.338 9.778 -7.597 1.00 0.00 C ATOM 885 CD GLU A 57 4.532 10.554 -8.638 1.00 0.00 C ATOM 886 OE1 GLU A 57 3.352 10.889 -8.387 1.00 0.00 O ATOM 887 OE2 GLU A 57 5.101 10.903 -9.702 1.00 0.00 O ATOM 0 H GLU A 57 6.455 8.309 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 57 7.426 10.938 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.574 10.059 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.099 11.540 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.361 9.652 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.916 8.780 -7.482 1.00 0.00 H new ATOM 894 N ARG A 58 6.289 10.205 -3.101 1.00 0.00 N ATOM 895 CA ARG A 58 6.180 10.620 -1.708 1.00 0.00 C ATOM 896 C ARG A 58 7.414 10.224 -0.890 1.00 0.00 C ATOM 897 O ARG A 58 7.546 10.684 0.242 1.00 0.00 O ATOM 898 CB ARG A 58 4.895 10.011 -1.130 1.00 0.00 C ATOM 899 CG ARG A 58 3.641 10.570 -1.814 1.00 0.00 C ATOM 900 CD ARG A 58 2.356 9.964 -1.240 1.00 0.00 C ATOM 901 NE ARG A 58 1.198 10.777 -1.646 1.00 0.00 N ATOM 902 CZ ARG A 58 0.156 11.137 -0.890 1.00 0.00 C ATOM 903 NH1 ARG A 58 0.014 10.661 0.341 1.00 0.00 N ATOM 904 NH2 ARG A 58 -0.730 12.000 -1.368 1.00 0.00 N ATOM 0 H ARG A 58 6.113 9.209 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 58 6.130 11.708 -1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.921 8.928 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.846 10.214 -0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.616 11.653 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.691 10.368 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.236 8.940 -1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.418 9.920 -0.153 1.00 0.00 H new ATOM 0 HE ARG A 58 1.190 11.102 -2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.704 10.013 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.786 10.943 0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.614 12.384 -2.306 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.528 12.280 -0.798 1.00 0.00 H new ATOM 918 N ARG A 59 8.312 9.404 -1.451 1.00 0.00 N ATOM 919 CA ARG A 59 9.413 8.696 -0.788 1.00 0.00 C ATOM 920 C ARG A 59 8.948 8.057 0.520 1.00 0.00 C ATOM 921 O ARG A 59 9.540 8.306 1.571 1.00 0.00 O ATOM 922 CB ARG A 59 10.666 9.578 -0.630 1.00 0.00 C ATOM 923 CG ARG A 59 11.303 9.899 -1.989 1.00 0.00 C ATOM 924 CD ARG A 59 12.578 10.750 -1.856 1.00 0.00 C ATOM 925 NE ARG A 59 12.391 12.137 -2.324 1.00 0.00 N ATOM 926 CZ ARG A 59 12.424 12.530 -3.607 1.00 0.00 C ATOM 927 NH1 ARG A 59 12.679 11.665 -4.582 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.186 13.791 -3.941 1.00 0.00 N ATOM 0 H ARG A 59 8.286 9.204 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 59 9.723 7.878 -1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.398 10.506 -0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.393 9.069 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.543 8.968 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.580 10.428 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.894 10.763 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.382 10.284 -2.426 1.00 0.00 H new ATOM 0 HE ARG A 59 12.224 12.853 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.854 10.685 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.700 11.981 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.974 14.479 -3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.215 14.073 -4.921 1.00 0.00 H new ATOM 942 N THR A 60 7.904 7.232 0.473 1.00 0.00 N ATOM 943 CA THR A 60 7.373 6.516 1.631 1.00 0.00 C ATOM 944 C THR A 60 6.646 5.251 1.150 1.00 0.00 C ATOM 945 O THR A 60 6.529 5.026 -0.057 1.00 0.00 O ATOM 946 CB THR A 60 6.471 7.481 2.429 1.00 0.00 C ATOM 947 OG1 THR A 60 6.170 6.974 3.714 1.00 0.00 O ATOM 948 CG2 THR A 60 5.150 7.727 1.701 1.00 0.00 C ATOM 0 H THR A 60 7.393 7.039 -0.389 1.00 0.00 H new ATOM 0 HA THR A 60 8.165 6.183 2.302 1.00 0.00 H new ATOM 0 HB THR A 60 7.029 8.413 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.977 6.583 4.109 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.534 8.410 2.286 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.350 8.165 0.723 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.623 6.781 1.574 1.00 0.00 H new ATOM 956 N TYR A 61 6.127 4.450 2.084 1.00 0.00 N ATOM 957 CA TYR A 61 5.207 3.355 1.796 1.00 0.00 C ATOM 958 C TYR A 61 3.837 3.758 2.316 1.00 0.00 C ATOM 959 O TYR A 61 3.723 4.199 3.462 1.00 0.00 O ATOM 960 CB TYR A 61 5.656 2.056 2.462 1.00 0.00 C ATOM 961 CG TYR A 61 6.979 1.506 1.974 1.00 0.00 C ATOM 962 CD1 TYR A 61 8.167 1.904 2.607 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.024 0.578 0.914 1.00 0.00 C ATOM 964 CE1 TYR A 61 9.392 1.342 2.219 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.241 -0.034 0.562 1.00 0.00 C ATOM 966 CZ TYR A 61 9.432 0.338 1.227 1.00 0.00 C ATOM 967 OH TYR A 61 10.619 -0.262 0.936 1.00 0.00 O ATOM 0 H TYR A 61 6.340 4.549 3.077 1.00 0.00 H new ATOM 0 HA TYR A 61 5.182 3.173 0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.724 2.222 3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.886 1.301 2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.138 2.644 3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.122 0.336 0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.308 1.679 2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.265 -0.785 -0.213 1.00 0.00 H new ATOM 0 HH TYR A 61 10.483 -0.932 0.234 1.00 0.00 H new ATOM 977 N VAL A 62 2.824 3.662 1.469 1.00 0.00 N ATOM 978 CA VAL A 62 1.453 4.110 1.700 1.00 0.00 C ATOM 979 C VAL A 62 0.460 2.971 1.435 1.00 0.00 C ATOM 980 O VAL A 62 0.819 2.015 0.746 1.00 0.00 O ATOM 981 CB VAL A 62 1.186 5.417 0.912 1.00 0.00 C ATOM 982 CG1 VAL A 62 1.381 6.630 1.829 1.00 0.00 C ATOM 983 CG2 VAL A 62 2.138 5.635 -0.285 1.00 0.00 C ATOM 0 H VAL A 62 2.941 3.245 0.546 1.00 0.00 H new ATOM 0 HA VAL A 62 1.304 4.367 2.749 1.00 0.00 H new ATOM 0 HB VAL A 62 0.165 5.318 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.191 7.545 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.687 6.568 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.404 6.641 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.886 6.571 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.167 5.680 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.033 4.809 -0.988 1.00 0.00 H new ATOM 993 N PRO A 63 -0.765 3.015 1.987 1.00 0.00 N ATOM 994 CA PRO A 63 -1.739 1.949 1.810 1.00 0.00 C ATOM 995 C PRO A 63 -2.292 1.973 0.386 1.00 0.00 C ATOM 996 O PRO A 63 -2.589 3.041 -0.153 1.00 0.00 O ATOM 997 CB PRO A 63 -2.799 2.181 2.889 1.00 0.00 C ATOM 998 CG PRO A 63 -2.756 3.694 3.110 1.00 0.00 C ATOM 999 CD PRO A 63 -1.291 4.050 2.865 1.00 0.00 C ATOM 0 HA PRO A 63 -1.313 0.953 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.785 1.851 2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.568 1.635 3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.417 4.219 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.070 3.961 4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.201 5.034 2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.736 4.084 3.803 1.00 0.00 H new ATOM 1007 N ALA A 64 -2.420 0.792 -0.226 1.00 0.00 N ATOM 1008 CA ALA A 64 -2.869 0.644 -1.610 1.00 0.00 C ATOM 1009 C ALA A 64 -4.330 0.182 -1.693 1.00 0.00 C ATOM 1010 O ALA A 64 -4.779 -0.321 -2.724 1.00 0.00 O ATOM 1011 CB ALA A 64 -1.921 -0.304 -2.350 1.00 0.00 C ATOM 0 H ALA A 64 -2.212 -0.096 0.231 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.838 1.619 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.252 -0.417 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.911 0.107 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.924 -1.277 -1.859 1.00 0.00 H new