USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 696 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 55 ASN : amide:sc= -0.112 K(o=0.98,f=-1.8!) USER MOD Set 1.2: A 56 SER OG : rot 159:sc= 0.849 USER MOD Set 1.3: A 94 TYR OH : rot 180:sc= 0.238 USER MOD Set 2.1: A 15 SER OG : rot -130:sc=-0.00293 USER MOD Set 2.2: A 87 ASN : amide:sc= -0.129 X(o=-0.14,f=-0.41) USER MOD Set 2.3: A 89 MET CE :methyl 140:sc=-0.00781 (180deg=-0.000826) USER MOD Set 3.1: A 34 TYR OH : rot -15:sc= 2.13 USER MOD Set 3.2: A 40 SER OG : rot 99:sc= 1.51 USER MOD Set 3.3: A 51 GLN : amide:sc= -1.32! X(o=1.6!,f=1.5) USER MOD Set 3.4: A 53 ASN : amide:sc= -0.684 K(o=1.6,f=0.77!) USER MOD Single : A 10 ASN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.995 USER MOD Single : A 12 TYR OH : rot 50:sc= 0.00617 USER MOD Single : A 18 TYR OH : rot -87:sc= 0.602 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -88:sc= 0.803 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 77:sc= 0.508 USER MOD Single : A 33 MET CE :methyl -149:sc= -1.78 (180deg=-2.93) USER MOD Single : A 36 MET CE :methyl 143:sc= -1 (180deg=-1.38) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 87:sc= 0.032 USER MOD Single : A 60 THR OG1 : rot 27:sc= 0.568 USER MOD Single : A 61 THR OG1 : rot 167:sc= -1.66! USER MOD Single : A 62 SER OG : rot -150:sc= -4.2! USER MOD Single : A 66 SER OG : rot 180:sc= 0.00098 USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= 1.37 (180deg=0.419) USER MOD Single : A 76 CYS SG : rot 180:sc= -2.49! USER MOD Single : A 90 THR OG1 : rot -87:sc= 1.11 USER MOD Single : A 97 GLN : amide:sc= -1.49! K(o=-1.5!,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.902 -1.787 -21.867 1.00 0.00 N ATOM 123 CA PHE A 9 -0.887 -0.953 -23.020 1.00 0.00 C ATOM 124 C PHE A 9 -1.637 -1.650 -24.085 1.00 0.00 C ATOM 125 O PHE A 9 -1.352 -2.803 -24.408 1.00 0.00 O ATOM 126 CB PHE A 9 0.539 -0.637 -23.459 1.00 0.00 C ATOM 127 CG PHE A 9 1.211 0.437 -22.642 1.00 0.00 C ATOM 128 CD1 PHE A 9 1.281 0.355 -21.260 1.00 0.00 C ATOM 129 CD2 PHE A 9 1.785 1.526 -23.270 1.00 0.00 C ATOM 130 CE1 PHE A 9 1.909 1.339 -20.526 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.413 2.515 -22.541 1.00 0.00 C ATOM 132 CZ PHE A 9 2.474 2.420 -21.166 1.00 0.00 C ATOM 0 HA PHE A 9 -1.356 0.005 -22.796 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.135 -1.548 -23.403 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.526 -0.329 -24.504 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.839 -0.489 -20.752 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.741 1.604 -24.346 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.958 1.262 -19.450 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.856 3.361 -23.045 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.964 3.192 -20.592 1.00 0.00 H new ATOM 142 N ASN A 10 -2.604 -0.992 -24.590 1.00 0.00 N ATOM 143 CA ASN A 10 -3.472 -1.576 -25.562 1.00 0.00 C ATOM 144 C ASN A 10 -2.955 -1.279 -26.937 1.00 0.00 C ATOM 145 O ASN A 10 -1.847 -0.727 -27.078 1.00 0.00 O ATOM 146 CB ASN A 10 -4.911 -1.110 -25.344 1.00 0.00 C ATOM 147 CG ASN A 10 -5.503 -1.722 -24.081 1.00 0.00 C ATOM 148 OD1 ASN A 10 -6.158 -2.757 -24.130 1.00 0.00 O ATOM 149 ND2 ASN A 10 -5.247 -1.118 -22.938 1.00 0.00 N ATOM 0 H ASN A 10 -2.827 -0.027 -24.348 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.485 -2.660 -25.450 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.937 -0.023 -25.271 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.520 -1.386 -26.205 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.597 -1.511 -22.064 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.699 -0.258 -22.927 1.00 0.00 H new ATOM 156 N THR A 11 -3.680 -1.631 -27.945 1.00 0.00 N ATOM 157 CA THR A 11 -3.181 -1.442 -29.251 1.00 0.00 C ATOM 158 C THR A 11 -4.281 -0.882 -30.188 1.00 0.00 C ATOM 159 O THR A 11 -5.342 -1.495 -30.424 1.00 0.00 O ATOM 160 CB THR A 11 -2.495 -2.761 -29.759 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.732 -2.542 -30.950 1.00 0.00 O ATOM 162 CG2 THR A 11 -3.499 -3.879 -29.985 1.00 0.00 C ATOM 0 H THR A 11 -4.610 -2.046 -27.884 1.00 0.00 H new ATOM 0 HA THR A 11 -2.401 -0.680 -29.248 1.00 0.00 H new ATOM 0 HB THR A 11 -1.814 -3.071 -28.966 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.320 -3.384 -31.234 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.978 -4.770 -30.336 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.011 -4.103 -29.049 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.228 -3.567 -30.733 1.00 0.00 H new ATOM 170 N TYR A 12 -4.040 0.303 -30.676 1.00 0.00 N ATOM 171 CA TYR A 12 -4.984 0.995 -31.512 1.00 0.00 C ATOM 172 C TYR A 12 -4.415 1.286 -32.863 1.00 0.00 C ATOM 173 O TYR A 12 -3.216 1.242 -33.052 1.00 0.00 O ATOM 174 CB TYR A 12 -5.434 2.299 -30.879 1.00 0.00 C ATOM 175 CG TYR A 12 -6.359 2.172 -29.694 1.00 0.00 C ATOM 176 CD1 TYR A 12 -5.854 2.067 -28.406 1.00 0.00 C ATOM 177 CD2 TYR A 12 -7.746 2.213 -29.857 1.00 0.00 C ATOM 178 CE1 TYR A 12 -6.689 1.996 -27.319 1.00 0.00 C ATOM 179 CE2 TYR A 12 -8.587 2.157 -28.767 1.00 0.00 C ATOM 180 CZ TYR A 12 -8.052 2.046 -27.501 1.00 0.00 C ATOM 181 OH TYR A 12 -8.884 2.003 -26.409 1.00 0.00 O ATOM 0 H TYR A 12 -3.178 0.820 -30.504 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.842 0.331 -31.621 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.549 2.853 -30.567 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.932 2.898 -31.642 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.785 2.041 -28.256 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.164 2.290 -30.850 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.278 1.901 -26.325 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.658 2.200 -28.903 1.00 0.00 H new ATOM 0 HH TYR A 12 -8.588 2.661 -25.746 1.00 0.00 H new ATOM 191 N VAL A 13 -5.290 1.581 -33.771 1.00 0.00 N ATOM 192 CA VAL A 13 -4.984 1.942 -35.120 1.00 0.00 C ATOM 193 C VAL A 13 -5.662 3.263 -35.462 1.00 0.00 C ATOM 194 O VAL A 13 -6.825 3.486 -35.139 1.00 0.00 O ATOM 195 CB VAL A 13 -5.408 0.820 -36.124 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.492 1.337 -37.545 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.394 -0.284 -36.097 1.00 0.00 C ATOM 0 H VAL A 13 -6.292 1.576 -33.581 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.904 2.061 -35.210 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.392 0.465 -35.817 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.789 0.526 -38.210 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.229 2.138 -37.598 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.518 1.719 -37.851 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.689 -1.066 -36.796 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.419 0.110 -36.384 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.336 -0.700 -35.091 1.00 0.00 H new ATOM 207 N VAL A 14 -4.942 4.121 -36.095 1.00 0.00 N ATOM 208 CA VAL A 14 -5.464 5.378 -36.496 1.00 0.00 C ATOM 209 C VAL A 14 -5.441 5.462 -37.991 1.00 0.00 C ATOM 210 O VAL A 14 -4.495 5.051 -38.614 1.00 0.00 O ATOM 211 CB VAL A 14 -4.714 6.571 -35.850 1.00 0.00 C ATOM 212 CG1 VAL A 14 -3.212 6.484 -36.082 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.264 7.900 -36.363 1.00 0.00 C ATOM 0 H VAL A 14 -3.966 3.968 -36.351 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.492 5.449 -36.141 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.884 6.519 -34.775 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.722 7.338 -35.614 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.829 5.562 -35.645 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.008 6.490 -37.153 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.722 8.723 -35.896 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.140 7.952 -37.445 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.323 7.976 -36.115 1.00 0.00 H new ATOM 223 N SER A 15 -6.503 5.898 -38.542 1.00 0.00 N ATOM 224 CA SER A 15 -6.629 6.048 -39.954 1.00 0.00 C ATOM 225 C SER A 15 -6.682 7.534 -40.293 1.00 0.00 C ATOM 226 O SER A 15 -7.642 8.212 -39.941 1.00 0.00 O ATOM 227 CB SER A 15 -7.887 5.308 -40.367 1.00 0.00 C ATOM 228 OG SER A 15 -7.794 3.974 -39.901 1.00 0.00 O ATOM 0 H SER A 15 -7.336 6.170 -38.020 1.00 0.00 H new ATOM 0 HA SER A 15 -5.781 5.631 -40.496 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.768 5.795 -39.949 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.998 5.324 -41.451 1.00 0.00 H new ATOM 0 HG SER A 15 -7.995 3.356 -40.635 1.00 0.00 H new ATOM 234 N PHE A 16 -5.613 8.049 -40.878 1.00 0.00 N ATOM 235 CA PHE A 16 -5.539 9.455 -41.220 1.00 0.00 C ATOM 236 C PHE A 16 -6.037 9.753 -42.607 1.00 0.00 C ATOM 237 O PHE A 16 -5.746 9.038 -43.569 1.00 0.00 O ATOM 238 CB PHE A 16 -4.127 10.024 -41.068 1.00 0.00 C ATOM 239 CG PHE A 16 -3.716 10.303 -39.663 1.00 0.00 C ATOM 240 CD1 PHE A 16 -4.000 11.530 -39.087 1.00 0.00 C ATOM 241 CD2 PHE A 16 -3.043 9.363 -38.921 1.00 0.00 C ATOM 242 CE1 PHE A 16 -3.620 11.805 -37.795 1.00 0.00 C ATOM 243 CE2 PHE A 16 -2.659 9.636 -37.628 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.950 10.859 -37.066 1.00 0.00 C ATOM 0 H PHE A 16 -4.783 7.510 -41.126 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.199 9.944 -40.503 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.418 9.322 -41.507 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.058 10.948 -41.643 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.526 12.279 -39.660 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.813 8.402 -39.356 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.849 12.765 -37.356 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.129 8.891 -37.054 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.650 11.072 -36.051 1.00 0.00 H new ATOM 254 N ASP A 17 -6.771 10.817 -42.692 1.00 0.00 N ATOM 255 CA ASP A 17 -7.265 11.350 -43.925 1.00 0.00 C ATOM 256 C ASP A 17 -6.795 12.757 -44.062 1.00 0.00 C ATOM 257 O ASP A 17 -7.024 13.590 -43.164 1.00 0.00 O ATOM 258 CB ASP A 17 -8.784 11.308 -44.003 1.00 0.00 C ATOM 259 CG ASP A 17 -9.315 9.943 -44.316 1.00 0.00 C ATOM 260 OD1 ASP A 17 -9.392 9.594 -45.514 1.00 0.00 O ATOM 261 OD2 ASP A 17 -9.682 9.188 -43.387 1.00 0.00 O ATOM 0 H ASP A 17 -7.054 11.359 -41.876 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.883 10.733 -44.738 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.201 11.645 -43.054 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.123 12.008 -44.767 1.00 0.00 H new ATOM 266 N TYR A 18 -6.136 13.030 -45.144 1.00 0.00 N ATOM 267 CA TYR A 18 -5.584 14.331 -45.422 1.00 0.00 C ATOM 268 C TYR A 18 -5.312 14.423 -46.915 1.00 0.00 C ATOM 269 O TYR A 18 -4.915 13.420 -47.533 1.00 0.00 O ATOM 270 CB TYR A 18 -4.266 14.551 -44.612 1.00 0.00 C ATOM 271 CG TYR A 18 -3.172 13.526 -44.908 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.194 12.270 -44.307 1.00 0.00 C ATOM 273 CD2 TYR A 18 -2.145 13.806 -45.805 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.239 11.324 -44.593 1.00 0.00 C ATOM 275 CE2 TYR A 18 -1.177 12.863 -46.090 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.235 11.621 -45.485 1.00 0.00 C ATOM 277 OH TYR A 18 -0.290 10.666 -45.785 1.00 0.00 O ATOM 0 H TYR A 18 -5.960 12.344 -45.878 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.290 15.106 -45.123 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.882 15.548 -44.827 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.498 14.522 -43.547 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.977 12.035 -43.602 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.105 14.773 -46.284 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.277 10.354 -44.120 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.380 13.094 -46.781 1.00 0.00 H new ATOM 0 HH TYR A 18 0.441 10.714 -45.134 1.00 0.00 H new ATOM 287 N PRO A 19 -5.580 15.570 -47.539 1.00 0.00 N ATOM 288 CA PRO A 19 -5.260 15.761 -48.935 1.00 0.00 C ATOM 289 C PRO A 19 -3.747 15.822 -49.143 1.00 0.00 C ATOM 290 O PRO A 19 -2.992 16.293 -48.267 1.00 0.00 O ATOM 291 CB PRO A 19 -5.915 17.088 -49.312 1.00 0.00 C ATOM 292 CG PRO A 19 -6.194 17.790 -48.027 1.00 0.00 C ATOM 293 CD PRO A 19 -6.251 16.743 -46.945 1.00 0.00 C ATOM 0 HA PRO A 19 -5.620 14.938 -49.553 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.256 17.682 -49.946 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.834 16.923 -49.874 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.415 18.522 -47.812 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.136 18.335 -48.084 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.742 17.077 -46.041 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.280 16.514 -46.666 1.00 0.00 H new ATOM 301 N SER A 20 -3.311 15.406 -50.305 1.00 0.00 N ATOM 302 CA SER A 20 -1.899 15.303 -50.634 1.00 0.00 C ATOM 303 C SER A 20 -1.235 16.684 -50.768 1.00 0.00 C ATOM 304 O SER A 20 -0.009 16.796 -50.901 1.00 0.00 O ATOM 305 CB SER A 20 -1.757 14.474 -51.895 1.00 0.00 C ATOM 306 OG SER A 20 -2.445 13.245 -51.716 1.00 0.00 O ATOM 0 H SER A 20 -3.930 15.124 -51.065 1.00 0.00 H new ATOM 0 HA SER A 20 -1.374 14.806 -49.818 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.165 15.014 -52.749 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.704 14.289 -52.108 1.00 0.00 H new ATOM 0 HG SER A 20 -2.361 12.702 -52.527 1.00 0.00 H new ATOM 312 N SER A 21 -2.051 17.716 -50.690 1.00 0.00 N ATOM 313 CA SER A 21 -1.625 19.091 -50.693 1.00 0.00 C ATOM 314 C SER A 21 -0.776 19.376 -49.433 1.00 0.00 C ATOM 315 O SER A 21 0.028 20.303 -49.395 1.00 0.00 O ATOM 316 CB SER A 21 -2.885 19.932 -50.654 1.00 0.00 C ATOM 317 OG SER A 21 -3.849 19.409 -51.564 1.00 0.00 O ATOM 0 H SER A 21 -3.063 17.611 -50.621 1.00 0.00 H new ATOM 0 HA SER A 21 -1.022 19.316 -51.572 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.294 19.942 -49.644 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.651 20.965 -50.913 1.00 0.00 H new ATOM 0 HG SER A 21 -4.661 19.957 -51.531 1.00 0.00 H new ATOM 323 N TYR A 22 -0.978 18.562 -48.404 1.00 0.00 N ATOM 324 CA TYR A 22 -0.250 18.706 -47.161 1.00 0.00 C ATOM 325 C TYR A 22 0.735 17.580 -46.975 1.00 0.00 C ATOM 326 O TYR A 22 1.153 17.322 -45.857 1.00 0.00 O ATOM 327 CB TYR A 22 -1.204 18.705 -45.973 1.00 0.00 C ATOM 328 CG TYR A 22 -2.214 19.812 -45.949 1.00 0.00 C ATOM 329 CD1 TYR A 22 -1.885 21.077 -45.491 1.00 0.00 C ATOM 330 CD2 TYR A 22 -3.502 19.582 -46.367 1.00 0.00 C ATOM 331 CE1 TYR A 22 -2.826 22.087 -45.458 1.00 0.00 C ATOM 332 CE2 TYR A 22 -4.452 20.576 -46.342 1.00 0.00 C ATOM 333 CZ TYR A 22 -4.112 21.829 -45.889 1.00 0.00 C ATOM 334 OH TYR A 22 -5.058 22.825 -45.863 1.00 0.00 O ATOM 0 H TYR A 22 -1.646 17.792 -48.412 1.00 0.00 H new ATOM 0 HA TYR A 22 0.283 19.655 -47.211 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.735 17.753 -45.958 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.615 18.756 -45.057 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.878 21.276 -45.155 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.775 18.599 -46.723 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.559 23.070 -45.098 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.459 20.374 -46.676 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.909 22.476 -46.201 1.00 0.00 H new ATOM 344 N SER A 23 1.143 16.942 -48.051 1.00 0.00 N ATOM 345 CA SER A 23 2.056 15.825 -47.962 1.00 0.00 C ATOM 346 C SER A 23 3.370 16.222 -47.277 1.00 0.00 C ATOM 347 O SER A 23 3.809 15.554 -46.358 1.00 0.00 O ATOM 348 CB SER A 23 2.275 15.225 -49.350 1.00 0.00 C ATOM 349 OG SER A 23 2.675 16.217 -50.288 1.00 0.00 O ATOM 0 H SER A 23 0.855 17.180 -49.000 1.00 0.00 H new ATOM 0 HA SER A 23 1.612 15.055 -47.331 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.036 14.446 -49.295 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.356 14.749 -49.691 1.00 0.00 H new ATOM 0 HG SER A 23 1.881 16.622 -50.695 1.00 0.00 H new ATOM 355 N SER A 24 3.915 17.372 -47.647 1.00 0.00 N ATOM 356 CA SER A 24 5.175 17.846 -47.080 1.00 0.00 C ATOM 357 C SER A 24 5.011 18.236 -45.605 1.00 0.00 C ATOM 358 O SER A 24 5.935 18.105 -44.792 1.00 0.00 O ATOM 359 CB SER A 24 5.671 19.034 -47.893 1.00 0.00 C ATOM 360 OG SER A 24 5.800 18.678 -49.265 1.00 0.00 O ATOM 0 H SER A 24 3.505 17.998 -48.340 1.00 0.00 H new ATOM 0 HA SER A 24 5.907 17.039 -47.124 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.976 19.868 -47.791 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.633 19.371 -47.506 1.00 0.00 H new ATOM 0 HG SER A 24 6.118 19.452 -49.775 1.00 0.00 H new ATOM 366 N VAL A 25 3.805 18.590 -45.267 1.00 0.00 N ATOM 367 CA VAL A 25 3.462 19.106 -43.964 1.00 0.00 C ATOM 368 C VAL A 25 3.211 17.967 -43.007 1.00 0.00 C ATOM 369 O VAL A 25 3.592 18.001 -41.836 1.00 0.00 O ATOM 370 CB VAL A 25 2.183 19.967 -44.062 1.00 0.00 C ATOM 371 CG1 VAL A 25 1.692 20.371 -42.694 1.00 0.00 C ATOM 372 CG2 VAL A 25 2.419 21.184 -44.932 1.00 0.00 C ATOM 0 H VAL A 25 3.010 18.528 -45.902 1.00 0.00 H new ATOM 0 HA VAL A 25 4.290 19.714 -43.600 1.00 0.00 H new ATOM 0 HB VAL A 25 1.407 19.361 -44.529 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.791 20.976 -42.795 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.466 19.479 -42.110 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.463 20.951 -42.187 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.505 21.775 -44.986 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.217 21.789 -44.502 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.705 20.865 -45.934 1.00 0.00 H new ATOM 382 N PHE A 26 2.628 16.942 -43.521 1.00 0.00 N ATOM 383 CA PHE A 26 2.238 15.829 -42.748 1.00 0.00 C ATOM 384 C PHE A 26 3.441 15.001 -42.346 1.00 0.00 C ATOM 385 O PHE A 26 3.407 14.281 -41.344 1.00 0.00 O ATOM 386 CB PHE A 26 1.218 15.022 -43.527 1.00 0.00 C ATOM 387 CG PHE A 26 1.141 13.593 -43.090 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.446 13.248 -41.946 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.828 12.606 -43.780 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.428 11.944 -41.506 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.825 11.306 -43.337 1.00 0.00 C ATOM 392 CZ PHE A 26 1.122 10.973 -42.202 1.00 0.00 C ATOM 0 H PHE A 26 2.407 16.858 -44.513 1.00 0.00 H new ATOM 0 HA PHE A 26 1.775 16.166 -41.821 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.237 15.483 -43.415 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.468 15.058 -44.587 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.087 14.007 -41.393 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.372 12.863 -44.677 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.128 11.680 -40.618 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.372 10.548 -43.877 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.113 9.950 -41.854 1.00 0.00 H new ATOM 402 N LEU A 27 4.524 15.135 -43.082 1.00 0.00 N ATOM 403 CA LEU A 27 5.725 14.390 -42.766 1.00 0.00 C ATOM 404 C LEU A 27 6.262 14.843 -41.418 1.00 0.00 C ATOM 405 O LEU A 27 6.999 14.133 -40.769 1.00 0.00 O ATOM 406 CB LEU A 27 6.808 14.556 -43.826 1.00 0.00 C ATOM 407 CG LEU A 27 6.391 14.357 -45.279 1.00 0.00 C ATOM 408 CD1 LEU A 27 7.597 14.347 -46.188 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.536 13.111 -45.457 1.00 0.00 C ATOM 0 H LEU A 27 4.598 15.746 -43.895 1.00 0.00 H new ATOM 0 HA LEU A 27 5.456 13.334 -42.735 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.227 15.557 -43.728 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.610 13.852 -43.604 1.00 0.00 H new ATOM 0 HG LEU A 27 5.769 15.205 -45.565 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.274 14.204 -47.219 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.125 15.296 -46.102 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.263 13.534 -45.900 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.260 13.006 -46.506 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.101 12.234 -45.141 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.634 13.199 -44.852 1.00 0.00 H new ATOM 421 N ARG A 28 5.832 16.016 -40.990 1.00 0.00 N ATOM 422 CA ARG A 28 6.229 16.534 -39.704 1.00 0.00 C ATOM 423 C ARG A 28 5.423 15.802 -38.637 1.00 0.00 C ATOM 424 O ARG A 28 5.963 15.339 -37.641 1.00 0.00 O ATOM 425 CB ARG A 28 5.969 18.050 -39.603 1.00 0.00 C ATOM 426 CG ARG A 28 6.460 18.876 -40.791 1.00 0.00 C ATOM 427 CD ARG A 28 7.889 18.547 -41.165 1.00 0.00 C ATOM 428 NE ARG A 28 8.838 18.780 -40.077 1.00 0.00 N ATOM 429 CZ ARG A 28 10.036 18.197 -39.991 1.00 0.00 C ATOM 430 NH1 ARG A 28 10.464 17.410 -40.978 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.814 18.414 -38.936 1.00 0.00 N ATOM 0 H ARG A 28 5.207 16.625 -41.519 1.00 0.00 H new ATOM 0 HA ARG A 28 7.298 16.376 -39.565 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.897 18.211 -39.487 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.447 18.425 -38.698 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.811 18.697 -41.649 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.384 19.936 -40.550 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.946 17.502 -41.471 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.180 19.148 -42.027 1.00 0.00 H new ATOM 0 HE ARG A 28 8.568 19.429 -39.338 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.877 17.254 -41.797 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.379 16.964 -40.914 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.497 19.029 -38.186 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.728 17.966 -38.876 1.00 0.00 H new ATOM 445 N LEU A 29 4.130 15.637 -38.922 1.00 0.00 N ATOM 446 CA LEU A 29 3.166 14.978 -38.038 1.00 0.00 C ATOM 447 C LEU A 29 3.511 13.494 -37.904 1.00 0.00 C ATOM 448 O LEU A 29 3.320 12.899 -36.843 1.00 0.00 O ATOM 449 CB LEU A 29 1.723 15.188 -38.610 1.00 0.00 C ATOM 450 CG LEU A 29 0.476 14.761 -37.759 1.00 0.00 C ATOM 451 CD1 LEU A 29 0.205 13.279 -37.838 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.620 15.180 -36.298 1.00 0.00 C ATOM 0 H LEU A 29 3.714 15.965 -39.794 1.00 0.00 H new ATOM 0 HA LEU A 29 3.208 15.415 -37.040 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.614 16.249 -38.836 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.668 14.653 -39.558 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.376 15.284 -38.194 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.668 13.036 -37.232 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.017 12.998 -38.874 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.070 12.731 -37.465 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.263 14.867 -35.741 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.505 14.709 -35.870 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.721 16.264 -36.239 1.00 0.00 H new ATOM 464 N ARG A 30 4.064 12.901 -38.965 1.00 0.00 N ATOM 465 CA ARG A 30 4.418 11.489 -38.903 1.00 0.00 C ATOM 466 C ARG A 30 5.574 11.295 -37.954 1.00 0.00 C ATOM 467 O ARG A 30 5.649 10.314 -37.240 1.00 0.00 O ATOM 468 CB ARG A 30 4.705 10.878 -40.277 1.00 0.00 C ATOM 469 CG ARG A 30 6.051 11.194 -40.892 1.00 0.00 C ATOM 470 CD ARG A 30 6.258 10.419 -42.190 1.00 0.00 C ATOM 471 NE ARG A 30 6.268 8.959 -41.941 1.00 0.00 N ATOM 472 CZ ARG A 30 6.076 7.987 -42.857 1.00 0.00 C ATOM 473 NH1 ARG A 30 5.863 8.281 -44.136 1.00 0.00 N ATOM 474 NH2 ARG A 30 6.096 6.718 -42.475 1.00 0.00 N ATOM 0 H ARG A 30 4.270 13.363 -39.851 1.00 0.00 H new ATOM 0 HA ARG A 30 3.550 10.950 -38.523 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.614 9.795 -40.194 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.929 11.211 -40.966 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.122 12.264 -41.088 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.844 10.946 -40.186 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.465 10.666 -42.895 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.199 10.719 -42.651 1.00 0.00 H new ATOM 0 HE ARG A 30 6.437 8.658 -40.981 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.843 9.255 -44.439 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.720 7.533 -44.814 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.256 6.483 -41.495 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.952 5.977 -43.161 1.00 0.00 H new ATOM 488 N SER A 31 6.438 12.259 -37.929 1.00 0.00 N ATOM 489 CA SER A 31 7.551 12.262 -37.006 1.00 0.00 C ATOM 490 C SER A 31 7.062 12.348 -35.553 1.00 0.00 C ATOM 491 O SER A 31 7.662 11.758 -34.657 1.00 0.00 O ATOM 492 CB SER A 31 8.500 13.386 -37.344 1.00 0.00 C ATOM 493 OG SER A 31 8.939 13.261 -38.685 1.00 0.00 O ATOM 0 H SER A 31 6.401 13.072 -38.544 1.00 0.00 H new ATOM 0 HA SER A 31 8.092 11.321 -37.105 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.005 14.347 -37.203 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.356 13.366 -36.669 1.00 0.00 H new ATOM 0 HG SER A 31 8.227 13.555 -39.291 1.00 0.00 H new ATOM 499 N LEU A 32 5.939 13.043 -35.342 1.00 0.00 N ATOM 500 CA LEU A 32 5.316 13.138 -34.009 1.00 0.00 C ATOM 501 C LEU A 32 4.846 11.772 -33.562 1.00 0.00 C ATOM 502 O LEU A 32 4.946 11.420 -32.394 1.00 0.00 O ATOM 503 CB LEU A 32 4.108 14.108 -33.985 1.00 0.00 C ATOM 504 CG LEU A 32 4.367 15.609 -33.751 1.00 0.00 C ATOM 505 CD1 LEU A 32 4.988 15.858 -32.390 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.226 16.205 -34.823 1.00 0.00 C ATOM 0 H LEU A 32 5.440 13.549 -36.074 1.00 0.00 H new ATOM 0 HA LEU A 32 6.077 13.528 -33.333 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.585 14.007 -34.936 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.425 13.766 -33.208 1.00 0.00 H new ATOM 0 HG LEU A 32 3.395 16.100 -33.786 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.158 16.927 -32.257 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.315 15.498 -31.612 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.938 15.329 -32.321 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.382 17.264 -34.617 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.188 15.694 -34.844 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.733 16.092 -35.789 1.00 0.00 H new ATOM 518 N MET A 33 4.333 11.012 -34.510 1.00 0.00 N ATOM 519 CA MET A 33 3.834 9.671 -34.281 1.00 0.00 C ATOM 520 C MET A 33 4.880 8.789 -33.613 1.00 0.00 C ATOM 521 O MET A 33 4.622 8.206 -32.563 1.00 0.00 O ATOM 522 CB MET A 33 3.432 9.027 -35.602 1.00 0.00 C ATOM 523 CG MET A 33 2.391 9.768 -36.376 1.00 0.00 C ATOM 524 SD MET A 33 1.974 8.889 -37.883 1.00 0.00 S ATOM 525 CE MET A 33 0.736 9.964 -38.557 1.00 0.00 C ATOM 0 H MET A 33 4.250 11.316 -35.480 1.00 0.00 H new ATOM 0 HA MET A 33 2.971 9.757 -33.621 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.321 8.925 -36.224 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.066 8.020 -35.401 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.498 9.895 -35.764 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.754 10.766 -36.620 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.014 9.377 -39.125 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.224 10.483 -37.746 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.207 10.694 -39.215 1.00 0.00 H new ATOM 535 N TYR A 34 6.065 8.732 -34.204 1.00 0.00 N ATOM 536 CA TYR A 34 7.126 7.846 -33.713 1.00 0.00 C ATOM 537 C TYR A 34 7.814 8.465 -32.513 1.00 0.00 C ATOM 538 O TYR A 34 8.520 7.792 -31.767 1.00 0.00 O ATOM 539 CB TYR A 34 8.145 7.571 -34.808 1.00 0.00 C ATOM 540 CG TYR A 34 7.522 7.208 -36.132 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.740 6.060 -36.290 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.683 8.043 -37.224 1.00 0.00 C ATOM 543 CE1 TYR A 34 6.156 5.774 -37.503 1.00 0.00 C ATOM 544 CE2 TYR A 34 7.096 7.763 -38.432 1.00 0.00 C ATOM 545 CZ TYR A 34 6.337 6.635 -38.570 1.00 0.00 C ATOM 546 OH TYR A 34 5.746 6.358 -39.782 1.00 0.00 O ATOM 0 H TYR A 34 6.321 9.285 -35.022 1.00 0.00 H new ATOM 0 HA TYR A 34 6.671 6.902 -33.415 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.772 8.453 -34.940 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.799 6.760 -34.489 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.593 5.392 -35.454 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.284 8.935 -37.123 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.559 4.882 -37.621 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.233 8.431 -39.270 1.00 0.00 H new ATOM 0 HH TYR A 34 5.446 5.425 -39.794 1.00 0.00 H new ATOM 556 N ASP A 35 7.634 9.763 -32.363 1.00 0.00 N ATOM 557 CA ASP A 35 8.121 10.495 -31.196 1.00 0.00 C ATOM 558 C ASP A 35 7.286 10.093 -29.985 1.00 0.00 C ATOM 559 O ASP A 35 7.751 10.077 -28.846 1.00 0.00 O ATOM 560 CB ASP A 35 8.045 12.001 -31.451 1.00 0.00 C ATOM 561 CG ASP A 35 8.514 12.833 -30.289 1.00 0.00 C ATOM 562 OD1 ASP A 35 9.650 12.639 -29.819 1.00 0.00 O ATOM 563 OD2 ASP A 35 7.773 13.736 -29.853 1.00 0.00 O ATOM 0 H ASP A 35 7.147 10.346 -33.044 1.00 0.00 H new ATOM 0 HA ASP A 35 9.165 10.248 -31.004 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.647 12.244 -32.327 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.015 12.270 -31.687 1.00 0.00 H new ATOM 568 N MET A 36 6.055 9.738 -30.270 1.00 0.00 N ATOM 569 CA MET A 36 5.135 9.195 -29.308 1.00 0.00 C ATOM 570 C MET A 36 5.161 7.652 -29.403 1.00 0.00 C ATOM 571 O MET A 36 6.217 7.063 -29.648 1.00 0.00 O ATOM 572 CB MET A 36 3.728 9.778 -29.548 1.00 0.00 C ATOM 573 CG MET A 36 3.630 11.262 -29.201 1.00 0.00 C ATOM 574 SD MET A 36 1.990 11.976 -29.496 1.00 0.00 S ATOM 575 CE MET A 36 1.921 11.975 -31.285 1.00 0.00 C ATOM 0 H MET A 36 5.658 9.823 -31.206 1.00 0.00 H new ATOM 0 HA MET A 36 5.427 9.472 -28.295 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.456 9.636 -30.594 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.004 9.223 -28.952 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.892 11.398 -28.152 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.366 11.812 -29.787 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.908 11.738 -31.610 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.202 12.959 -31.661 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.611 11.227 -31.675 1.00 0.00 H new ATOM 585 N ASN A 37 4.030 6.999 -29.203 1.00 0.00 N ATOM 586 CA ASN A 37 3.986 5.521 -29.201 1.00 0.00 C ATOM 587 C ASN A 37 3.473 4.910 -30.487 1.00 0.00 C ATOM 588 O ASN A 37 3.308 3.687 -30.565 1.00 0.00 O ATOM 589 CB ASN A 37 3.195 4.975 -28.019 1.00 0.00 C ATOM 590 CG ASN A 37 4.076 4.595 -26.850 1.00 0.00 C ATOM 591 OD1 ASN A 37 4.534 3.454 -26.752 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.343 5.524 -25.977 1.00 0.00 N ATOM 0 H ASN A 37 3.130 7.450 -29.040 1.00 0.00 H new ATOM 0 HA ASN A 37 5.030 5.222 -29.106 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.472 5.723 -27.695 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.628 4.101 -28.340 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.948 5.318 -25.182 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.947 6.457 -26.088 1.00 0.00 H new ATOM 599 N PHE A 38 3.148 5.735 -31.462 1.00 0.00 N ATOM 600 CA PHE A 38 2.669 5.228 -32.745 1.00 0.00 C ATOM 601 C PHE A 38 3.746 4.424 -33.474 1.00 0.00 C ATOM 602 O PHE A 38 4.946 4.622 -33.264 1.00 0.00 O ATOM 603 CB PHE A 38 2.206 6.350 -33.648 1.00 0.00 C ATOM 604 CG PHE A 38 1.075 7.125 -33.094 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.307 8.200 -32.261 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.225 6.773 -33.390 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.272 8.904 -31.728 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.270 7.483 -32.859 1.00 0.00 C ATOM 609 CZ PHE A 38 -1.011 8.550 -32.025 1.00 0.00 C ATOM 0 H PHE A 38 3.204 6.751 -31.398 1.00 0.00 H new ATOM 0 HA PHE A 38 1.826 4.575 -32.519 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.042 7.025 -33.834 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.913 5.933 -34.611 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.322 8.486 -32.029 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.420 5.935 -34.043 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.466 9.740 -31.072 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.288 7.209 -33.092 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.832 9.111 -31.603 1.00 0.00 H new ATOM 619 N SER A 39 3.319 3.534 -34.312 1.00 0.00 N ATOM 620 CA SER A 39 4.193 2.703 -35.088 1.00 0.00 C ATOM 621 C SER A 39 3.628 2.490 -36.481 1.00 0.00 C ATOM 622 O SER A 39 2.436 2.733 -36.732 1.00 0.00 O ATOM 623 CB SER A 39 4.368 1.357 -34.411 1.00 0.00 C ATOM 624 OG SER A 39 5.020 1.482 -33.155 1.00 0.00 O ATOM 0 H SER A 39 2.329 3.358 -34.482 1.00 0.00 H new ATOM 0 HA SER A 39 5.159 3.203 -35.166 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.393 0.891 -34.270 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.946 0.697 -35.057 1.00 0.00 H new ATOM 0 HG SER A 39 5.115 0.596 -32.746 1.00 0.00 H new ATOM 630 N SER A 40 4.476 2.027 -37.363 1.00 0.00 N ATOM 631 CA SER A 40 4.117 1.741 -38.717 1.00 0.00 C ATOM 632 C SER A 40 3.939 0.261 -38.948 1.00 0.00 C ATOM 633 O SER A 40 3.486 -0.152 -40.021 1.00 0.00 O ATOM 634 CB SER A 40 5.167 2.275 -39.634 1.00 0.00 C ATOM 635 OG SER A 40 5.191 3.678 -39.588 1.00 0.00 O ATOM 0 H SER A 40 5.455 1.836 -37.149 1.00 0.00 H new ATOM 0 HA SER A 40 3.162 2.224 -38.922 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.142 1.879 -39.350 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.972 1.942 -40.653 1.00 0.00 H new ATOM 0 HG SER A 40 5.913 3.974 -38.995 1.00 0.00 H new ATOM 641 N ILE A 41 4.340 -0.526 -37.991 1.00 0.00 N ATOM 642 CA ILE A 41 4.171 -1.955 -38.040 1.00 0.00 C ATOM 643 C ILE A 41 3.473 -2.398 -36.766 1.00 0.00 C ATOM 644 O ILE A 41 3.757 -1.865 -35.681 1.00 0.00 O ATOM 645 CB ILE A 41 5.547 -2.736 -38.185 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.077 -2.768 -39.615 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.473 -4.157 -37.652 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.585 -1.463 -40.138 1.00 0.00 C ATOM 0 H ILE A 41 4.799 -0.192 -37.144 1.00 0.00 H new ATOM 0 HA ILE A 41 3.579 -2.192 -38.924 1.00 0.00 H new ATOM 0 HB ILE A 41 6.246 -2.164 -37.575 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.882 -3.501 -39.670 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.281 -3.119 -40.272 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.441 -4.643 -37.777 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.211 -4.136 -36.594 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.714 -4.713 -38.202 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.938 -1.594 -41.161 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.781 -0.727 -40.123 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.407 -1.115 -39.512 1.00 0.00 H new ATOM 660 N VAL A 42 2.572 -3.324 -36.896 1.00 0.00 N ATOM 661 CA VAL A 42 1.889 -3.909 -35.769 1.00 0.00 C ATOM 662 C VAL A 42 1.448 -5.308 -36.181 1.00 0.00 C ATOM 663 O VAL A 42 1.262 -5.571 -37.380 1.00 0.00 O ATOM 664 CB VAL A 42 0.669 -3.049 -35.309 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.408 -3.026 -36.357 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.116 -3.515 -33.968 1.00 0.00 C ATOM 0 H VAL A 42 2.283 -3.704 -37.797 1.00 0.00 H new ATOM 0 HA VAL A 42 2.563 -3.952 -34.913 1.00 0.00 H new ATOM 0 HB VAL A 42 1.031 -2.030 -35.174 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.243 -2.419 -36.007 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.011 -2.599 -37.278 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.752 -4.043 -36.547 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.731 -2.889 -33.686 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.210 -4.552 -34.049 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.893 -3.438 -33.207 1.00 0.00 H new ATOM 676 N ALA A 43 1.359 -6.201 -35.240 1.00 0.00 N ATOM 677 CA ALA A 43 0.942 -7.545 -35.511 1.00 0.00 C ATOM 678 C ALA A 43 -0.549 -7.604 -35.756 1.00 0.00 C ATOM 679 O ALA A 43 -1.331 -6.941 -35.067 1.00 0.00 O ATOM 680 CB ALA A 43 1.321 -8.457 -34.364 1.00 0.00 C ATOM 0 H ALA A 43 1.574 -6.017 -34.260 1.00 0.00 H new ATOM 0 HA ALA A 43 1.452 -7.885 -36.412 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.997 -9.474 -34.586 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.403 -8.442 -34.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.837 -8.113 -33.450 1.00 0.00 H new ATOM 686 N ASP A 44 -0.927 -8.362 -36.746 1.00 0.00 N ATOM 687 CA ASP A 44 -2.322 -8.588 -37.072 1.00 0.00 C ATOM 688 C ASP A 44 -2.922 -9.653 -36.155 1.00 0.00 C ATOM 689 O ASP A 44 -2.319 -10.031 -35.135 1.00 0.00 O ATOM 690 CB ASP A 44 -2.501 -8.986 -38.568 1.00 0.00 C ATOM 691 CG ASP A 44 -1.776 -10.256 -38.984 1.00 0.00 C ATOM 692 OD1 ASP A 44 -1.448 -11.073 -38.132 1.00 0.00 O ATOM 693 OD2 ASP A 44 -1.523 -10.431 -40.169 1.00 0.00 O ATOM 0 H ASP A 44 -0.275 -8.849 -37.361 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.856 -7.651 -36.913 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.565 -9.109 -38.771 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.150 -8.164 -39.192 1.00 0.00 H new ATOM 698 N GLU A 45 -4.086 -10.154 -36.528 1.00 0.00 N ATOM 699 CA GLU A 45 -4.794 -11.146 -35.739 1.00 0.00 C ATOM 700 C GLU A 45 -4.073 -12.493 -35.773 1.00 0.00 C ATOM 701 O GLU A 45 -4.217 -13.308 -34.861 1.00 0.00 O ATOM 702 CB GLU A 45 -6.229 -11.312 -36.250 1.00 0.00 C ATOM 703 CG GLU A 45 -6.351 -12.026 -37.592 1.00 0.00 C ATOM 704 CD GLU A 45 -7.771 -12.100 -38.075 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.682 -12.342 -37.254 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.009 -11.961 -39.277 1.00 0.00 O ATOM 0 H GLU A 45 -4.567 -9.885 -37.386 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.820 -10.794 -34.708 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.803 -11.865 -35.506 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.686 -10.326 -36.336 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.745 -11.506 -38.334 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.948 -13.035 -37.502 1.00 0.00 H new ATOM 713 N TYR A 46 -3.279 -12.709 -36.806 1.00 0.00 N ATOM 714 CA TYR A 46 -2.583 -13.957 -36.973 1.00 0.00 C ATOM 715 C TYR A 46 -1.283 -13.873 -36.191 1.00 0.00 C ATOM 716 O TYR A 46 -0.818 -14.853 -35.594 1.00 0.00 O ATOM 717 CB TYR A 46 -2.292 -14.215 -38.463 1.00 0.00 C ATOM 718 CG TYR A 46 -3.497 -14.028 -39.369 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.549 -14.934 -39.369 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.586 -12.922 -40.208 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.652 -14.746 -40.183 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.683 -12.725 -41.020 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.713 -13.638 -41.008 1.00 0.00 C ATOM 724 OH TYR A 46 -6.824 -13.432 -41.807 1.00 0.00 O ATOM 0 H TYR A 46 -3.104 -12.026 -37.543 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.195 -14.781 -36.606 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.497 -13.544 -38.789 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.918 -15.232 -38.579 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.506 -15.799 -38.724 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.780 -12.203 -40.224 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.461 -15.461 -40.174 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.734 -11.858 -41.662 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.504 -12.939 -41.301 1.00 0.00 H new ATOM 734 N GLY A 47 -0.729 -12.691 -36.178 1.00 0.00 N ATOM 735 CA GLY A 47 0.486 -12.417 -35.468 1.00 0.00 C ATOM 736 C GLY A 47 1.562 -11.907 -36.396 1.00 0.00 C ATOM 737 O GLY A 47 2.748 -11.895 -36.049 1.00 0.00 O ATOM 0 H GLY A 47 -1.115 -11.883 -36.667 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.296 -11.679 -34.689 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.831 -13.324 -34.971 1.00 0.00 H new ATOM 741 N ILE A 48 1.160 -11.466 -37.565 1.00 0.00 N ATOM 742 CA ILE A 48 2.084 -11.010 -38.561 1.00 0.00 C ATOM 743 C ILE A 48 2.238 -9.500 -38.489 1.00 0.00 C ATOM 744 O ILE A 48 1.243 -8.773 -38.480 1.00 0.00 O ATOM 745 CB ILE A 48 1.695 -11.490 -40.018 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.147 -12.937 -40.262 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.270 -10.585 -41.105 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.520 -13.967 -39.356 1.00 0.00 C ATOM 0 H ILE A 48 0.181 -11.416 -37.847 1.00 0.00 H new ATOM 0 HA ILE A 48 3.050 -11.466 -38.343 1.00 0.00 H new ATOM 0 HB ILE A 48 0.608 -11.435 -40.077 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.923 -13.201 -41.296 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.230 -12.987 -40.148 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.973 -10.959 -42.085 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.890 -9.572 -40.973 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.358 -10.577 -41.034 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.904 -14.955 -39.608 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.764 -13.737 -38.319 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.438 -13.954 -39.485 1.00 0.00 H new ATOM 760 N PRO A 49 3.481 -9.021 -38.361 1.00 0.00 N ATOM 761 CA PRO A 49 3.783 -7.598 -38.335 1.00 0.00 C ATOM 762 C PRO A 49 3.502 -6.943 -39.692 1.00 0.00 C ATOM 763 O PRO A 49 4.246 -7.120 -40.665 1.00 0.00 O ATOM 764 CB PRO A 49 5.276 -7.547 -37.986 1.00 0.00 C ATOM 765 CG PRO A 49 5.813 -8.873 -38.376 1.00 0.00 C ATOM 766 CD PRO A 49 4.692 -9.848 -38.224 1.00 0.00 C ATOM 0 HA PRO A 49 3.168 -7.051 -37.621 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.779 -6.744 -38.525 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.425 -7.359 -36.923 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.176 -8.857 -39.404 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.657 -9.151 -37.744 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.733 -10.626 -38.987 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.726 -10.348 -37.256 1.00 0.00 H new ATOM 774 N ARG A 50 2.402 -6.259 -39.760 1.00 0.00 N ATOM 775 CA ARG A 50 1.960 -5.602 -40.965 1.00 0.00 C ATOM 776 C ARG A 50 2.396 -4.161 -40.993 1.00 0.00 C ATOM 777 O ARG A 50 2.555 -3.538 -39.944 1.00 0.00 O ATOM 778 CB ARG A 50 0.458 -5.586 -40.994 1.00 0.00 C ATOM 779 CG ARG A 50 -0.201 -6.928 -40.952 1.00 0.00 C ATOM 780 CD ARG A 50 0.001 -7.703 -42.211 1.00 0.00 C ATOM 781 NE ARG A 50 -0.827 -8.877 -42.163 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.728 -9.216 -43.046 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.791 -8.593 -44.218 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.557 -10.202 -42.747 1.00 0.00 N ATOM 0 H ARG A 50 1.770 -6.136 -38.969 1.00 0.00 H new ATOM 0 HA ARG A 50 2.387 -6.144 -41.809 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.102 -4.999 -40.147 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.135 -5.070 -41.898 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.195 -7.497 -40.111 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.269 -6.800 -40.776 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.257 -7.093 -43.077 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.049 -7.983 -42.319 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.699 -9.502 -41.367 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.133 -7.844 -44.434 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.497 -8.864 -44.902 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.482 -10.676 -41.847 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.271 -10.489 -43.417 1.00 0.00 H new ATOM 798 N GLN A 51 2.575 -3.641 -42.182 1.00 0.00 N ATOM 799 CA GLN A 51 2.793 -2.235 -42.381 1.00 0.00 C ATOM 800 C GLN A 51 1.456 -1.554 -42.468 1.00 0.00 C ATOM 801 O GLN A 51 0.493 -2.107 -43.005 1.00 0.00 O ATOM 802 CB GLN A 51 3.568 -1.963 -43.647 1.00 0.00 C ATOM 803 CG GLN A 51 5.035 -1.801 -43.431 1.00 0.00 C ATOM 804 CD GLN A 51 5.415 -0.332 -43.467 1.00 0.00 C ATOM 805 OE1 GLN A 51 5.790 0.205 -44.503 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.231 0.351 -42.376 1.00 0.00 N ATOM 0 H GLN A 51 2.573 -4.188 -43.043 1.00 0.00 H new ATOM 0 HA GLN A 51 3.376 -1.853 -41.543 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.401 -2.782 -44.347 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.177 -1.059 -44.114 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.318 -2.233 -42.471 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.585 -2.345 -44.200 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.918 -0.119 -41.527 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.399 1.357 -42.370 1.00 0.00 H new ATOM 815 N LEU A 52 1.409 -0.379 -41.954 1.00 0.00 N ATOM 816 CA LEU A 52 0.183 0.375 -41.837 1.00 0.00 C ATOM 817 C LEU A 52 0.174 1.537 -42.783 1.00 0.00 C ATOM 818 O LEU A 52 -0.882 2.062 -43.112 1.00 0.00 O ATOM 819 CB LEU A 52 0.162 0.870 -40.401 1.00 0.00 C ATOM 820 CG LEU A 52 0.333 -0.270 -39.405 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.458 0.235 -38.022 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.802 -1.270 -39.533 1.00 0.00 C ATOM 0 H LEU A 52 2.229 0.108 -41.592 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.688 -0.233 -42.082 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.958 1.600 -40.257 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.780 1.383 -40.207 1.00 0.00 H new ATOM 0 HG LEU A 52 1.263 -0.787 -39.642 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.579 -0.605 -37.338 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.327 0.889 -37.951 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.439 0.794 -37.756 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.660 -2.076 -38.813 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.751 -0.771 -39.337 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.811 -1.683 -40.542 1.00 0.00 H new ATOM 834 N ASN A 53 1.369 1.885 -43.263 1.00 0.00 N ATOM 835 CA ASN A 53 1.649 3.129 -44.045 1.00 0.00 C ATOM 836 C ASN A 53 0.984 3.196 -45.402 1.00 0.00 C ATOM 837 O ASN A 53 1.632 3.187 -46.448 1.00 0.00 O ATOM 838 CB ASN A 53 3.146 3.402 -44.175 1.00 0.00 C ATOM 839 CG ASN A 53 3.867 3.397 -42.848 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.055 3.116 -42.783 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.159 3.633 -41.771 1.00 0.00 N ATOM 0 H ASN A 53 2.199 1.309 -43.125 1.00 0.00 H new ATOM 0 HA ASN A 53 1.191 3.918 -43.449 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.591 2.650 -44.826 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.292 4.368 -44.658 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.598 3.584 -40.851 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.169 3.865 -41.852 1.00 0.00 H new ATOM 848 N GLU A 54 -0.281 3.159 -45.350 1.00 0.00 N ATOM 849 CA GLU A 54 -1.160 3.336 -46.453 1.00 0.00 C ATOM 850 C GLU A 54 -2.061 4.539 -46.147 1.00 0.00 C ATOM 851 O GLU A 54 -2.356 5.360 -47.019 1.00 0.00 O ATOM 852 CB GLU A 54 -1.971 2.065 -46.641 1.00 0.00 C ATOM 853 CG GLU A 54 -1.084 0.833 -46.717 1.00 0.00 C ATOM 854 CD GLU A 54 -1.837 -0.438 -46.914 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.252 -0.722 -48.055 1.00 0.00 O ATOM 856 OE2 GLU A 54 -2.018 -1.189 -45.951 1.00 0.00 O ATOM 0 H GLU A 54 -0.780 2.993 -44.476 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.615 3.528 -47.377 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.673 1.957 -45.814 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.563 2.143 -47.553 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.376 0.956 -47.537 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.500 0.760 -45.800 1.00 0.00 H new ATOM 863 N ASN A 55 -2.440 4.641 -44.874 1.00 0.00 N ATOM 864 CA ASN A 55 -3.256 5.739 -44.321 1.00 0.00 C ATOM 865 C ASN A 55 -3.348 5.537 -42.811 1.00 0.00 C ATOM 866 O ASN A 55 -3.416 6.490 -42.035 1.00 0.00 O ATOM 867 CB ASN A 55 -4.690 5.809 -44.949 1.00 0.00 C ATOM 868 CG ASN A 55 -5.812 5.189 -44.096 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.445 5.870 -43.286 1.00 0.00 O ATOM 870 ND2 ASN A 55 -6.069 3.921 -44.273 1.00 0.00 N ATOM 0 H ASN A 55 -2.184 3.946 -44.173 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.775 6.686 -44.565 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.935 6.854 -45.139 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.671 5.306 -45.916 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.809 3.471 -43.734 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.530 3.381 -44.950 1.00 0.00 H new ATOM 877 N SER A 56 -3.355 4.281 -42.413 1.00 0.00 N ATOM 878 CA SER A 56 -3.414 3.903 -41.053 1.00 0.00 C ATOM 879 C SER A 56 -2.041 3.781 -40.393 1.00 0.00 C ATOM 880 O SER A 56 -1.013 3.747 -41.056 1.00 0.00 O ATOM 881 CB SER A 56 -4.220 2.618 -40.958 1.00 0.00 C ATOM 882 OG SER A 56 -4.227 1.938 -42.224 1.00 0.00 O ATOM 0 H SER A 56 -3.318 3.491 -43.057 1.00 0.00 H new ATOM 0 HA SER A 56 -3.907 4.695 -40.489 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.795 1.970 -40.192 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.242 2.844 -40.653 1.00 0.00 H new ATOM 0 HG SER A 56 -4.433 0.990 -42.085 1.00 0.00 H new ATOM 888 N PHE A 57 -2.051 3.814 -39.086 1.00 0.00 N ATOM 889 CA PHE A 57 -0.891 3.629 -38.250 1.00 0.00 C ATOM 890 C PHE A 57 -1.392 3.001 -36.976 1.00 0.00 C ATOM 891 O PHE A 57 -2.598 2.935 -36.778 1.00 0.00 O ATOM 892 CB PHE A 57 -0.214 4.953 -37.904 1.00 0.00 C ATOM 893 CG PHE A 57 0.236 5.778 -39.077 1.00 0.00 C ATOM 894 CD1 PHE A 57 -0.620 6.688 -39.677 1.00 0.00 C ATOM 895 CD2 PHE A 57 1.509 5.627 -39.582 1.00 0.00 C ATOM 896 CE1 PHE A 57 -0.209 7.431 -40.769 1.00 0.00 C ATOM 897 CE2 PHE A 57 1.931 6.369 -40.669 1.00 0.00 C ATOM 898 CZ PHE A 57 1.070 7.271 -41.265 1.00 0.00 C ATOM 0 H PHE A 57 -2.904 3.978 -38.551 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.156 3.016 -38.772 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.905 5.549 -37.307 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.652 4.744 -37.276 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.619 6.818 -39.288 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.185 4.921 -39.123 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.886 8.134 -41.232 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.933 6.244 -41.052 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.397 7.849 -42.117 1.00 0.00 H new ATOM 908 N ALA A 58 -0.517 2.564 -36.123 1.00 0.00 N ATOM 909 CA ALA A 58 -0.936 1.937 -34.888 1.00 0.00 C ATOM 910 C ALA A 58 -0.251 2.568 -33.748 1.00 0.00 C ATOM 911 O ALA A 58 0.679 3.322 -33.939 1.00 0.00 O ATOM 912 CB ALA A 58 -0.666 0.446 -34.888 1.00 0.00 C ATOM 0 H ALA A 58 0.493 2.626 -36.251 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.013 2.078 -34.797 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.996 0.016 -33.942 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.210 -0.022 -35.709 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.402 0.270 -35.013 1.00 0.00 H new ATOM 918 N ILE A 59 -0.710 2.278 -32.574 1.00 0.00 N ATOM 919 CA ILE A 59 -0.118 2.779 -31.389 1.00 0.00 C ATOM 920 C ILE A 59 -0.400 1.851 -30.237 1.00 0.00 C ATOM 921 O ILE A 59 -1.472 1.235 -30.161 1.00 0.00 O ATOM 922 CB ILE A 59 -0.627 4.207 -31.051 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.072 4.710 -29.793 1.00 0.00 C ATOM 924 CG2 ILE A 59 -2.148 4.216 -30.863 1.00 0.00 C ATOM 925 CD1 ILE A 59 -0.076 6.163 -29.557 1.00 0.00 C ATOM 0 H ILE A 59 -1.519 1.677 -32.415 1.00 0.00 H new ATOM 0 HA ILE A 59 0.957 2.837 -31.557 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.392 4.871 -31.883 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.323 4.171 -28.932 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.133 4.470 -29.860 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.479 5.227 -30.627 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.630 3.881 -31.781 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.418 3.546 -30.047 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.450 6.439 -28.643 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.345 6.713 -30.398 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.133 6.409 -29.455 1.00 0.00 H new ATOM 937 N THR A 60 0.545 1.719 -29.374 1.00 0.00 N ATOM 938 CA THR A 60 0.335 1.002 -28.202 1.00 0.00 C ATOM 939 C THR A 60 0.128 2.017 -27.069 1.00 0.00 C ATOM 940 O THR A 60 1.050 2.616 -26.529 1.00 0.00 O ATOM 941 CB THR A 60 1.443 -0.072 -27.927 1.00 0.00 C ATOM 942 OG1 THR A 60 1.050 -0.930 -26.844 1.00 0.00 O ATOM 943 CG2 THR A 60 2.810 0.534 -27.623 1.00 0.00 C ATOM 0 H THR A 60 1.481 2.112 -29.476 1.00 0.00 H new ATOM 0 HA THR A 60 -0.563 0.391 -28.289 1.00 0.00 H new ATOM 0 HB THR A 60 1.543 -0.646 -28.848 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.072 -0.964 -26.792 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.530 -0.264 -27.442 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.139 1.134 -28.471 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.739 1.166 -26.738 1.00 0.00 H new ATOM 951 N THR A 61 -1.097 2.301 -26.840 1.00 0.00 N ATOM 952 CA THR A 61 -1.482 3.221 -25.837 1.00 0.00 C ATOM 953 C THR A 61 -2.609 2.583 -25.074 1.00 0.00 C ATOM 954 O THR A 61 -3.242 1.657 -25.574 1.00 0.00 O ATOM 955 CB THR A 61 -1.928 4.583 -26.444 1.00 0.00 C ATOM 956 OG1 THR A 61 -2.087 5.552 -25.400 1.00 0.00 O ATOM 957 CG2 THR A 61 -3.248 4.441 -27.195 1.00 0.00 C ATOM 0 H THR A 61 -1.878 1.893 -27.354 1.00 0.00 H new ATOM 0 HA THR A 61 -0.638 3.442 -25.184 1.00 0.00 H new ATOM 0 HB THR A 61 -1.158 4.909 -27.143 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.161 6.447 -25.793 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.537 5.407 -27.609 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.131 3.720 -28.004 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.021 4.094 -26.509 1.00 0.00 H new ATOM 965 N SER A 62 -2.849 3.021 -23.897 1.00 0.00 N ATOM 966 CA SER A 62 -3.851 2.414 -23.112 1.00 0.00 C ATOM 967 C SER A 62 -5.050 3.349 -22.920 1.00 0.00 C ATOM 968 O SER A 62 -6.015 2.995 -22.252 1.00 0.00 O ATOM 969 CB SER A 62 -3.234 2.049 -21.801 1.00 0.00 C ATOM 970 OG SER A 62 -1.952 1.516 -21.976 1.00 0.00 O ATOM 0 H SER A 62 -2.363 3.801 -23.455 1.00 0.00 H new ATOM 0 HA SER A 62 -4.233 1.523 -23.611 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.180 2.931 -21.163 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.866 1.323 -21.288 1.00 0.00 H new ATOM 0 HG SER A 62 -1.762 0.877 -21.257 1.00 0.00 H new ATOM 976 N LEU A 63 -4.973 4.529 -23.502 1.00 0.00 N ATOM 977 CA LEU A 63 -6.049 5.503 -23.421 1.00 0.00 C ATOM 978 C LEU A 63 -7.101 5.256 -24.475 1.00 0.00 C ATOM 979 O LEU A 63 -6.985 4.325 -25.274 1.00 0.00 O ATOM 980 CB LEU A 63 -5.513 6.949 -23.441 1.00 0.00 C ATOM 981 CG LEU A 63 -4.475 7.322 -24.486 1.00 0.00 C ATOM 982 CD1 LEU A 63 -5.016 7.425 -25.878 1.00 0.00 C ATOM 983 CD2 LEU A 63 -3.674 8.542 -24.080 1.00 0.00 C ATOM 0 H LEU A 63 -4.167 4.841 -24.043 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.540 5.372 -22.457 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.365 7.617 -23.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.086 7.158 -22.460 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.784 6.480 -24.521 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.211 7.695 -26.562 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.439 6.466 -26.176 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.792 8.190 -25.911 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.944 8.773 -24.856 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.345 9.391 -23.949 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.156 8.341 -23.142 1.00 0.00 H new ATOM 995 N ALA A 64 -8.114 6.065 -24.490 1.00 0.00 N ATOM 996 CA ALA A 64 -9.192 5.833 -25.396 1.00 0.00 C ATOM 997 C ALA A 64 -9.050 6.618 -26.690 1.00 0.00 C ATOM 998 O ALA A 64 -8.176 7.469 -26.819 1.00 0.00 O ATOM 999 CB ALA A 64 -10.530 6.085 -24.736 1.00 0.00 C ATOM 0 H ALA A 64 -8.216 6.884 -23.891 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.148 4.779 -25.670 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.330 5.899 -25.453 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.646 5.418 -23.882 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.579 7.120 -24.397 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.949 6.344 -27.621 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.972 6.945 -28.951 1.00 0.00 C ATOM 1007 C ALA A 65 -9.989 8.456 -28.887 1.00 0.00 C ATOM 1008 O ALA A 65 -9.201 9.129 -29.562 1.00 0.00 O ATOM 1009 CB ALA A 65 -11.170 6.429 -29.729 1.00 0.00 C ATOM 0 H ALA A 65 -10.707 5.678 -27.471 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.056 6.656 -29.466 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.182 6.881 -30.721 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.102 5.345 -29.825 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.087 6.690 -29.200 1.00 0.00 H new ATOM 1015 N SER A 66 -10.823 8.970 -28.016 1.00 0.00 N ATOM 1016 CA SER A 66 -10.985 10.393 -27.833 1.00 0.00 C ATOM 1017 C SER A 66 -9.704 11.015 -27.272 1.00 0.00 C ATOM 1018 O SER A 66 -9.437 12.198 -27.456 1.00 0.00 O ATOM 1019 CB SER A 66 -12.160 10.615 -26.889 1.00 0.00 C ATOM 1020 OG SER A 66 -13.283 9.863 -27.344 1.00 0.00 O ATOM 0 H SER A 66 -11.416 8.406 -27.407 1.00 0.00 H new ATOM 0 HA SER A 66 -11.183 10.876 -28.790 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.890 10.311 -25.878 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.411 11.675 -26.847 1.00 0.00 H new ATOM 0 HG SER A 66 -14.039 10.004 -26.736 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.883 10.186 -26.656 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.678 10.646 -26.053 1.00 0.00 C ATOM 1028 C GLU A 67 -6.567 10.625 -27.069 1.00 0.00 C ATOM 1029 O GLU A 67 -5.755 11.535 -27.105 1.00 0.00 O ATOM 1030 CB GLU A 67 -7.330 9.804 -24.842 1.00 0.00 C ATOM 1031 CG GLU A 67 -8.335 9.898 -23.740 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.015 9.024 -22.574 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.219 9.431 -21.706 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.558 7.916 -22.504 1.00 0.00 O ATOM 0 H GLU A 67 -9.044 9.183 -26.568 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.817 11.671 -25.709 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.236 8.762 -25.149 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.356 10.114 -24.462 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.399 10.933 -23.403 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.317 9.628 -24.129 1.00 0.00 H new ATOM 1041 N ILE A 68 -6.534 9.575 -27.904 1.00 0.00 N ATOM 1042 CA ILE A 68 -5.531 9.487 -28.975 1.00 0.00 C ATOM 1043 C ILE A 68 -5.683 10.671 -29.898 1.00 0.00 C ATOM 1044 O ILE A 68 -4.702 11.328 -30.227 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.637 8.221 -29.859 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -6.117 7.017 -29.066 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -4.285 7.942 -30.500 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.918 5.690 -29.723 1.00 0.00 C ATOM 0 H ILE A 68 -7.180 8.787 -27.860 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.570 9.457 -28.462 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.379 8.404 -30.637 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.601 7.008 -28.106 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.179 7.143 -28.856 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.355 7.051 -31.124 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.991 8.793 -31.115 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.539 7.782 -29.721 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.295 4.901 -29.072 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.458 5.668 -30.670 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.856 5.531 -29.908 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.930 10.945 -30.304 1.00 0.00 N ATOM 1061 CA GLU A 69 -7.220 12.080 -31.164 1.00 0.00 C ATOM 1062 C GLU A 69 -6.692 13.351 -30.546 1.00 0.00 C ATOM 1063 O GLU A 69 -5.941 14.082 -31.174 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.715 12.221 -31.438 1.00 0.00 C ATOM 1065 CG GLU A 69 -9.285 11.133 -32.310 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.748 11.327 -32.619 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.075 12.119 -33.533 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.602 10.678 -31.987 1.00 0.00 O ATOM 0 H GLU A 69 -7.747 10.392 -30.046 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.722 11.902 -32.117 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.249 12.227 -30.488 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.897 13.185 -31.912 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.725 11.094 -33.244 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.149 10.171 -31.816 1.00 0.00 H new ATOM 1075 N ASP A 70 -7.043 13.561 -29.302 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.613 14.729 -28.539 1.00 0.00 C ATOM 1077 C ASP A 70 -5.100 14.856 -28.497 1.00 0.00 C ATOM 1078 O ASP A 70 -4.564 15.932 -28.758 1.00 0.00 O ATOM 1079 CB ASP A 70 -7.215 14.682 -27.140 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.705 15.751 -26.210 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -7.189 16.895 -26.275 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.864 15.443 -25.344 1.00 0.00 O ATOM 0 H ASP A 70 -7.642 12.925 -28.776 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.979 15.622 -29.045 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.298 14.773 -27.220 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.009 13.706 -26.701 1.00 0.00 H new ATOM 1087 N LEU A 71 -4.435 13.749 -28.245 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.982 13.681 -28.210 1.00 0.00 C ATOM 1089 C LEU A 71 -2.393 14.166 -29.514 1.00 0.00 C ATOM 1090 O LEU A 71 -1.531 15.035 -29.535 1.00 0.00 O ATOM 1091 CB LEU A 71 -2.519 12.242 -27.959 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.982 11.906 -26.571 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -3.035 12.107 -25.495 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -1.457 10.483 -26.560 1.00 0.00 C ATOM 0 H LEU A 71 -4.891 12.856 -28.056 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.638 14.322 -27.398 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.359 11.578 -28.164 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.742 12.007 -28.686 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.165 12.591 -26.344 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.613 11.857 -24.522 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.360 13.148 -25.493 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.889 11.461 -25.697 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.074 10.244 -25.568 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.264 9.795 -26.812 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.655 10.385 -27.292 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.918 13.662 -30.596 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.395 13.973 -31.901 1.00 0.00 C ATOM 1108 C ILE A 72 -2.696 15.412 -32.258 1.00 0.00 C ATOM 1109 O ILE A 72 -1.825 16.143 -32.735 1.00 0.00 O ATOM 1110 CB ILE A 72 -3.010 13.042 -32.958 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.646 11.605 -32.640 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.526 13.411 -34.362 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.594 10.616 -33.228 1.00 0.00 C ATOM 0 H ILE A 72 -3.716 13.027 -30.601 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.315 13.828 -31.881 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.094 13.156 -32.935 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.642 11.401 -33.011 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.619 11.474 -31.558 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.976 12.737 -35.091 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.816 14.437 -34.589 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.441 13.322 -34.408 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.277 9.607 -32.964 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.596 10.796 -32.838 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.603 10.721 -34.313 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.903 15.840 -31.967 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.319 17.153 -32.365 1.00 0.00 C ATOM 1127 C ARG A 73 -3.695 18.244 -31.492 1.00 0.00 C ATOM 1128 O ARG A 73 -3.598 19.387 -31.916 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.844 17.257 -32.451 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.465 16.137 -33.296 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.934 16.359 -33.569 1.00 0.00 C ATOM 1132 NE ARG A 73 -8.193 17.537 -34.412 1.00 0.00 N ATOM 1133 CZ ARG A 73 -9.135 18.452 -34.162 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -9.814 18.416 -33.025 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -9.382 19.407 -35.045 1.00 0.00 N ATOM 0 H ARG A 73 -4.604 15.299 -31.461 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.940 17.325 -33.372 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.264 17.224 -31.446 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.115 18.222 -32.878 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.931 16.063 -34.243 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.335 15.185 -32.782 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.345 15.474 -34.055 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.460 16.475 -32.621 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.615 17.664 -35.243 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.619 17.689 -32.337 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.532 19.116 -32.837 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.853 19.445 -35.917 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.101 20.105 -34.854 1.00 0.00 H new ATOM 1149 N LEU A 74 -3.226 17.894 -30.292 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.555 18.881 -29.472 1.00 0.00 C ATOM 1151 C LEU A 74 -1.070 18.927 -29.870 1.00 0.00 C ATOM 1152 O LEU A 74 -0.373 19.910 -29.626 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.787 18.640 -27.945 1.00 0.00 C ATOM 1154 CG LEU A 74 -2.038 17.488 -27.253 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -0.681 17.950 -26.750 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.852 16.920 -26.112 1.00 0.00 C ATOM 0 H LEU A 74 -3.299 16.962 -29.884 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.987 19.865 -29.657 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.529 19.561 -27.423 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.854 18.476 -27.795 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.885 16.701 -27.992 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.170 17.118 -26.265 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.082 18.303 -27.590 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.815 18.761 -26.034 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.300 16.107 -25.640 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.045 17.702 -25.378 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.799 16.540 -26.495 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.601 17.864 -30.541 1.00 0.00 N ATOM 1169 CA LYS A 75 0.761 17.825 -31.071 1.00 0.00 C ATOM 1170 C LYS A 75 0.821 18.512 -32.422 1.00 0.00 C ATOM 1171 O LYS A 75 1.885 18.703 -32.991 1.00 0.00 O ATOM 1172 CB LYS A 75 1.350 16.394 -31.158 1.00 0.00 C ATOM 1173 CG LYS A 75 2.131 15.938 -29.915 1.00 0.00 C ATOM 1174 CD LYS A 75 1.261 15.811 -28.690 1.00 0.00 C ATOM 1175 CE LYS A 75 2.068 15.558 -27.427 1.00 0.00 C ATOM 1176 NZ LYS A 75 2.873 14.319 -27.492 1.00 0.00 N ATOM 0 H LYS A 75 -1.148 17.023 -30.727 1.00 0.00 H new ATOM 0 HA LYS A 75 1.385 18.366 -30.359 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.535 15.692 -31.335 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.010 16.341 -32.024 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.603 14.977 -30.121 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.932 16.650 -29.714 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.676 16.723 -28.567 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.553 14.995 -28.834 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.730 16.406 -27.250 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.390 15.500 -26.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.937 13.897 -26.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.420 13.644 -28.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.828 14.543 -27.837 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.330 18.936 -32.898 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.433 19.646 -34.153 1.00 0.00 C ATOM 1192 C CYS A 76 0.044 21.092 -33.961 1.00 0.00 C ATOM 1193 O CYS A 76 0.197 21.849 -34.908 1.00 0.00 O ATOM 1194 CB CYS A 76 -1.875 19.602 -34.634 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.208 20.322 -36.260 1.00 0.00 S ATOM 0 H CYS A 76 -1.222 18.797 -32.424 1.00 0.00 H new ATOM 0 HA CYS A 76 0.198 19.176 -34.907 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.197 18.561 -34.650 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.495 20.117 -33.900 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.474 20.209 -36.533 1.00 0.00 H new ATOM 1201 N LEU A 77 0.287 21.458 -32.717 1.00 0.00 N ATOM 1202 CA LEU A 77 0.795 22.768 -32.396 1.00 0.00 C ATOM 1203 C LEU A 77 2.305 22.812 -32.646 1.00 0.00 C ATOM 1204 O LEU A 77 2.907 23.890 -32.721 1.00 0.00 O ATOM 1205 CB LEU A 77 0.487 23.113 -30.934 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.989 23.034 -30.512 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -1.157 23.461 -29.065 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.874 23.867 -31.431 1.00 0.00 C ATOM 0 H LEU A 77 0.137 20.855 -31.908 1.00 0.00 H new ATOM 0 HA LEU A 77 0.308 23.505 -33.034 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.062 22.442 -30.296 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.845 24.124 -30.738 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.306 21.995 -30.601 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.209 23.398 -28.787 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.571 22.804 -28.422 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.811 24.488 -28.946 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.911 23.790 -31.105 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.559 24.910 -31.393 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.786 23.498 -32.453 1.00 0.00 H new ATOM 1220 N ASP A 78 2.901 21.629 -32.778 1.00 0.00 N ATOM 1221 CA ASP A 78 4.334 21.486 -33.043 1.00 0.00 C ATOM 1222 C ASP A 78 4.573 21.751 -34.493 1.00 0.00 C ATOM 1223 O ASP A 78 5.484 22.481 -34.877 1.00 0.00 O ATOM 1224 CB ASP A 78 4.777 20.061 -32.742 1.00 0.00 C ATOM 1225 CG ASP A 78 6.290 19.867 -32.783 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.973 20.226 -31.801 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.816 19.302 -33.764 1.00 0.00 O ATOM 0 H ASP A 78 2.405 20.741 -32.704 1.00 0.00 H new ATOM 0 HA ASP A 78 4.891 22.184 -32.418 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.410 19.776 -31.756 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.313 19.386 -33.462 1.00 0.00 H new ATOM 1232 N LEU A 79 3.720 21.172 -35.296 1.00 0.00 N ATOM 1233 CA LEU A 79 3.799 21.317 -36.741 1.00 0.00 C ATOM 1234 C LEU A 79 3.168 22.665 -37.157 1.00 0.00 C ATOM 1235 O LEU A 79 2.496 23.298 -36.333 1.00 0.00 O ATOM 1236 CB LEU A 79 3.101 20.094 -37.392 1.00 0.00 C ATOM 1237 CG LEU A 79 1.605 19.915 -37.118 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.754 20.756 -38.040 1.00 0.00 C ATOM 1239 CD2 LEU A 79 1.218 18.477 -37.204 1.00 0.00 C ATOM 0 H LEU A 79 2.949 20.586 -34.976 1.00 0.00 H new ATOM 0 HA LEU A 79 4.833 21.335 -37.086 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.241 20.159 -38.471 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.616 19.193 -37.058 1.00 0.00 H new ATOM 0 HG LEU A 79 1.420 20.263 -36.102 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.299 20.597 -37.809 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.000 21.809 -37.903 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.946 20.470 -39.074 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.151 18.375 -37.006 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.439 18.100 -38.202 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.781 17.904 -36.467 1.00 0.00 H new ATOM 1251 N PRO A 80 3.408 23.149 -38.409 1.00 0.00 N ATOM 1252 CA PRO A 80 2.798 24.390 -38.890 1.00 0.00 C ATOM 1253 C PRO A 80 1.256 24.341 -38.831 1.00 0.00 C ATOM 1254 O PRO A 80 0.643 24.907 -37.906 1.00 0.00 O ATOM 1255 CB PRO A 80 3.297 24.555 -40.338 1.00 0.00 C ATOM 1256 CG PRO A 80 4.123 23.348 -40.657 1.00 0.00 C ATOM 1257 CD PRO A 80 4.336 22.562 -39.389 1.00 0.00 C ATOM 0 HA PRO A 80 3.081 25.235 -38.263 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.457 24.641 -41.028 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.888 25.465 -40.441 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.621 22.733 -41.404 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.081 23.647 -41.082 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.128 21.503 -39.543 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.368 22.638 -39.048 1.00 0.00 H new ATOM 1265 N ASP A 81 0.644 23.644 -39.782 1.00 0.00 N ATOM 1266 CA ASP A 81 -0.809 23.441 -39.812 1.00 0.00 C ATOM 1267 C ASP A 81 -1.170 22.520 -40.941 1.00 0.00 C ATOM 1268 O ASP A 81 -0.544 22.554 -42.005 1.00 0.00 O ATOM 1269 CB ASP A 81 -1.627 24.749 -39.936 1.00 0.00 C ATOM 1270 CG ASP A 81 -1.562 25.413 -41.292 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -0.613 26.187 -41.549 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -2.477 25.216 -42.109 1.00 0.00 O ATOM 0 H ASP A 81 1.138 23.201 -40.557 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.071 23.002 -38.849 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.670 24.532 -39.703 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.273 25.455 -39.185 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.130 21.686 -40.691 1.00 0.00 N ATOM 1278 CA ILE A 82 -2.649 20.755 -41.642 1.00 0.00 C ATOM 1279 C ILE A 82 -4.040 20.355 -41.221 1.00 0.00 C ATOM 1280 O ILE A 82 -4.257 19.944 -40.080 1.00 0.00 O ATOM 1281 CB ILE A 82 -1.759 19.470 -41.811 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -2.511 18.380 -42.604 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.239 18.947 -40.476 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.716 17.124 -42.842 1.00 0.00 C ATOM 0 H ILE A 82 -2.591 21.633 -39.783 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.657 21.254 -42.611 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.880 19.756 -42.389 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.424 18.122 -42.067 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.814 18.792 -43.567 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.630 18.059 -40.645 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.634 19.716 -39.995 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.081 18.692 -39.832 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.320 16.413 -43.405 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.816 17.365 -43.408 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.436 16.684 -41.885 1.00 0.00 H new ATOM 1296 N ASP A 83 -4.980 20.552 -42.090 1.00 0.00 N ATOM 1297 CA ASP A 83 -6.306 20.067 -41.843 1.00 0.00 C ATOM 1298 C ASP A 83 -6.340 18.582 -42.110 1.00 0.00 C ATOM 1299 O ASP A 83 -6.351 18.140 -43.259 1.00 0.00 O ATOM 1300 CB ASP A 83 -7.360 20.763 -42.699 1.00 0.00 C ATOM 1301 CG ASP A 83 -8.753 20.277 -42.352 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.378 20.849 -41.435 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -9.242 19.303 -42.962 1.00 0.00 O ATOM 0 H ASP A 83 -4.858 21.044 -42.975 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.548 20.284 -40.803 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.300 21.841 -42.550 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.158 20.575 -43.754 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.262 17.823 -41.069 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.330 16.400 -41.186 1.00 0.00 C ATOM 1310 C PHE A 84 -7.498 15.899 -40.388 1.00 0.00 C ATOM 1311 O PHE A 84 -8.041 16.625 -39.542 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.016 15.715 -40.724 1.00 0.00 C ATOM 1313 CG PHE A 84 -4.658 15.915 -39.262 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -5.138 15.056 -38.279 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -3.840 16.949 -38.885 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -4.804 15.242 -36.954 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -3.497 17.144 -37.560 1.00 0.00 C ATOM 1318 CZ PHE A 84 -3.979 16.288 -36.592 1.00 0.00 C ATOM 0 H PHE A 84 -6.150 18.167 -40.115 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.464 16.146 -42.237 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.096 14.645 -40.918 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.196 16.090 -41.336 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.780 14.233 -38.557 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.457 17.623 -39.637 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.187 14.570 -36.200 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.853 17.965 -37.283 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.712 16.435 -35.556 1.00 0.00 H new ATOM 1328 N ASP A 85 -7.895 14.711 -40.664 1.00 0.00 N ATOM 1329 CA ASP A 85 -8.949 14.052 -39.939 1.00 0.00 C ATOM 1330 C ASP A 85 -8.490 12.649 -39.701 1.00 0.00 C ATOM 1331 O ASP A 85 -7.753 12.109 -40.520 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.260 14.067 -40.735 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.400 13.394 -39.999 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -11.939 13.993 -39.029 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -11.783 12.256 -40.388 1.00 0.00 O ATOM 0 H ASP A 85 -7.496 14.147 -41.414 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.150 14.565 -38.998 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.534 15.099 -40.955 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.105 13.567 -41.691 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.843 12.078 -38.601 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.403 10.756 -38.298 1.00 0.00 C ATOM 1342 C LEU A 86 -9.540 9.950 -37.726 1.00 0.00 C ATOM 1343 O LEU A 86 -10.496 10.505 -37.175 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.258 10.786 -37.281 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.641 11.077 -35.811 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.514 10.743 -34.891 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -8.060 12.518 -35.596 1.00 0.00 C ATOM 0 H LEU A 86 -9.438 12.507 -37.892 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.052 10.298 -39.223 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.747 9.824 -37.315 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.539 11.540 -37.601 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.497 10.442 -35.584 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.808 10.956 -33.863 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.268 9.685 -34.986 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.642 11.343 -35.151 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.318 12.669 -34.548 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.237 13.180 -35.866 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.926 12.742 -36.219 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.446 8.673 -37.869 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.373 7.770 -37.285 1.00 0.00 C ATOM 1361 C ASN A 87 -9.617 6.758 -36.457 1.00 0.00 C ATOM 1362 O ASN A 87 -8.801 5.997 -36.992 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.194 7.071 -38.371 1.00 0.00 C ATOM 1364 CG ASN A 87 -12.109 6.005 -37.815 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -13.234 6.272 -37.426 1.00 0.00 O ATOM 1366 ND2 ASN A 87 -11.632 4.795 -37.774 1.00 0.00 N ATOM 0 H ASN A 87 -8.707 8.219 -38.406 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.063 8.319 -36.644 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.789 7.812 -38.905 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.518 6.621 -39.098 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.204 4.034 -37.408 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.687 4.608 -38.108 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.825 6.793 -35.177 1.00 0.00 N ATOM 1374 CA ILE A 88 -9.238 5.835 -34.278 1.00 0.00 C ATOM 1375 C ILE A 88 -10.103 4.586 -34.231 1.00 0.00 C ATOM 1376 O ILE A 88 -11.334 4.668 -34.201 1.00 0.00 O ATOM 1377 CB ILE A 88 -9.114 6.389 -32.839 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -8.203 7.627 -32.790 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.582 5.297 -31.904 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.784 7.354 -33.206 1.00 0.00 C ATOM 0 H ILE A 88 -10.411 7.491 -34.718 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.239 5.610 -34.653 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.106 6.695 -32.506 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.619 8.399 -33.438 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.204 8.027 -31.776 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.497 5.694 -30.892 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.269 4.451 -31.905 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.601 4.969 -32.249 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.204 8.275 -33.145 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.348 6.606 -32.544 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.770 6.983 -34.231 1.00 0.00 H new ATOM 1392 N MET A 89 -9.465 3.465 -34.268 1.00 0.00 N ATOM 1393 CA MET A 89 -10.089 2.190 -34.124 1.00 0.00 C ATOM 1394 C MET A 89 -9.067 1.316 -33.414 1.00 0.00 C ATOM 1395 O MET A 89 -7.910 1.678 -33.359 1.00 0.00 O ATOM 1396 CB MET A 89 -10.455 1.591 -35.514 1.00 0.00 C ATOM 1397 CG MET A 89 -9.258 1.109 -36.336 1.00 0.00 C ATOM 1398 SD MET A 89 -9.690 0.507 -37.981 1.00 0.00 S ATOM 1399 CE MET A 89 -9.965 2.025 -38.865 1.00 0.00 C ATOM 0 H MET A 89 -8.456 3.408 -34.405 1.00 0.00 H new ATOM 0 HA MET A 89 -11.021 2.260 -33.563 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.138 0.754 -35.366 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.994 2.344 -36.089 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.546 1.928 -36.436 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.753 0.312 -35.790 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.551 1.941 -39.870 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.035 2.220 -38.929 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.477 2.846 -38.339 1.00 0.00 H new ATOM 1409 N THR A 90 -9.463 0.245 -32.823 1.00 0.00 N ATOM 1410 CA THR A 90 -8.491 -0.668 -32.271 1.00 0.00 C ATOM 1411 C THR A 90 -7.822 -1.416 -33.403 1.00 0.00 C ATOM 1412 O THR A 90 -8.342 -1.452 -34.521 1.00 0.00 O ATOM 1413 CB THR A 90 -9.111 -1.699 -31.299 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.114 -2.472 -31.961 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.692 -1.026 -30.082 1.00 0.00 C ATOM 0 H THR A 90 -10.438 -0.030 -32.703 1.00 0.00 H new ATOM 0 HA THR A 90 -7.777 -0.071 -31.704 1.00 0.00 H new ATOM 0 HB THR A 90 -8.313 -2.364 -30.969 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.976 -2.010 -31.901 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.120 -1.778 -29.419 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.906 -0.484 -29.556 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.471 -0.328 -30.389 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.682 -1.985 -33.134 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.998 -2.832 -34.104 1.00 0.00 C ATOM 1425 C VAL A 91 -6.899 -4.012 -34.496 1.00 0.00 C ATOM 1426 O VAL A 91 -6.940 -4.434 -35.663 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.651 -3.340 -33.531 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -4.005 -4.394 -34.411 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.692 -2.204 -33.334 1.00 0.00 C ATOM 0 H VAL A 91 -6.192 -1.884 -32.245 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.785 -2.243 -34.996 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.881 -3.799 -32.570 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.065 -4.715 -33.963 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.674 -5.250 -34.504 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.812 -3.975 -35.399 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.754 -2.586 -32.931 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.504 -1.716 -34.291 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.120 -1.483 -32.637 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.666 -4.473 -33.531 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.596 -5.567 -33.728 1.00 0.00 C ATOM 1441 C ASP A 92 -9.684 -5.130 -34.700 1.00 0.00 C ATOM 1442 O ASP A 92 -10.034 -5.853 -35.633 1.00 0.00 O ATOM 1443 CB ASP A 92 -9.224 -5.965 -32.400 1.00 0.00 C ATOM 1444 CG ASP A 92 -10.009 -7.248 -32.488 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -11.144 -7.249 -32.999 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -9.506 -8.283 -32.025 1.00 0.00 O ATOM 0 H ASP A 92 -7.663 -4.098 -32.582 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.062 -6.425 -34.135 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.440 -6.074 -31.651 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.881 -5.165 -32.059 1.00 0.00 H new ATOM 1451 N ASP A 93 -10.146 -3.886 -34.528 1.00 0.00 N ATOM 1452 CA ASP A 93 -11.190 -3.312 -35.397 1.00 0.00 C ATOM 1453 C ASP A 93 -10.630 -2.941 -36.734 1.00 0.00 C ATOM 1454 O ASP A 93 -11.369 -2.635 -37.672 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.901 -2.090 -34.786 1.00 0.00 C ATOM 1456 CG ASP A 93 -13.001 -2.426 -33.802 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -14.163 -2.640 -34.232 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -12.756 -2.421 -32.577 1.00 0.00 O ATOM 0 H ASP A 93 -9.816 -3.255 -33.797 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.937 -4.097 -35.508 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.160 -1.469 -34.283 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.324 -1.492 -35.593 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.344 -2.974 -36.833 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.692 -2.666 -38.050 1.00 0.00 C ATOM 1465 C TYR A 94 -8.505 -3.901 -38.879 1.00 0.00 C ATOM 1466 O TYR A 94 -8.986 -3.982 -40.010 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.365 -1.986 -37.795 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.535 -1.739 -39.038 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.849 -0.720 -39.923 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.431 -2.526 -39.314 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.079 -0.498 -41.046 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.658 -2.307 -40.432 1.00 0.00 C ATOM 1473 CZ TYR A 94 -4.983 -1.293 -41.295 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.208 -1.069 -42.414 1.00 0.00 O ATOM 0 H TYR A 94 -8.717 -3.217 -36.066 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.324 -1.974 -38.606 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.549 -1.032 -37.301 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.786 -2.597 -37.102 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.707 -0.092 -39.731 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.171 -3.328 -38.639 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.336 0.298 -41.729 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.799 -2.932 -40.628 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.474 -1.718 -42.439 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.836 -4.873 -38.313 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.528 -6.096 -39.019 1.00 0.00 C ATOM 1486 C PHE A 95 -8.723 -6.954 -39.314 1.00 0.00 C ATOM 1487 O PHE A 95 -8.647 -7.862 -40.112 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.432 -6.872 -38.359 1.00 0.00 C ATOM 1489 CG PHE A 95 -5.081 -6.274 -38.621 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.601 -6.169 -39.921 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.306 -5.789 -37.591 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.372 -5.597 -40.177 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -3.074 -5.212 -37.842 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.608 -5.116 -39.137 1.00 0.00 C ATOM 0 H PHE A 95 -7.490 -4.842 -37.354 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.160 -5.772 -39.992 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.610 -6.908 -37.284 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.449 -7.901 -38.719 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.198 -6.540 -40.741 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.665 -5.860 -36.575 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.009 -5.526 -41.192 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.477 -4.837 -37.024 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.647 -4.665 -39.335 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.808 -6.668 -38.673 1.00 0.00 N ATOM 1505 CA ARG A 96 -11.070 -7.311 -39.003 1.00 0.00 C ATOM 1506 C ARG A 96 -11.552 -6.926 -40.416 1.00 0.00 C ATOM 1507 O ARG A 96 -12.405 -7.588 -40.986 1.00 0.00 O ATOM 1508 CB ARG A 96 -12.151 -7.041 -37.928 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.599 -5.586 -37.717 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.525 -5.051 -38.818 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.680 -5.927 -39.054 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.666 -5.694 -39.934 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.795 -4.495 -40.518 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.558 -6.649 -40.183 1.00 0.00 N ATOM 0 H ARG A 96 -9.862 -5.992 -37.911 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.892 -8.386 -39.009 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.032 -7.630 -38.183 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.779 -7.419 -36.976 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.111 -5.510 -36.758 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.716 -4.950 -37.659 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.877 -4.057 -38.542 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.960 -4.943 -39.744 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.737 -6.784 -38.503 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.139 -3.746 -40.295 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.549 -4.331 -41.185 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.489 -7.548 -39.707 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.311 -6.482 -40.850 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.013 -5.828 -40.950 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.384 -5.353 -42.286 1.00 0.00 C ATOM 1530 C GLN A 97 -10.468 -5.977 -43.305 1.00 0.00 C ATOM 1531 O GLN A 97 -10.869 -6.349 -44.401 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.171 -3.851 -42.392 1.00 0.00 C ATOM 1533 CG GLN A 97 -11.890 -3.015 -41.384 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.493 -1.558 -41.496 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -12.093 -0.787 -42.243 1.00 0.00 O ATOM 1536 NE2 GLN A 97 -10.454 -1.194 -40.797 1.00 0.00 N ATOM 0 H GLN A 97 -10.318 -5.250 -40.478 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.429 -5.613 -42.458 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.103 -3.649 -42.308 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.479 -3.530 -43.387 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.966 -3.113 -41.527 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.668 -3.379 -40.381 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.987 -1.867 -40.190 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.109 -0.236 -40.858 1.00 0.00 H new