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 15 SER OG : rot -63:sc= 0.7 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0693 K(o=1.1,f=-1.3!) USER MOD Set 1.3: A 56 SER OG : rot 130:sc= 0.627 USER MOD Set 1.4: A 87 ASN : amide:sc= -0.104 X(o=1.1,f=1.3) USER MOD Set 1.5: A 89 MET CE :methyl 148:sc= -0.0133 (180deg=-0.0261) USER MOD Set 2.1: A 51 GLN : amide:sc= -0.911! X(o=-3!,f=-3.2) USER MOD Set 2.2: A 53 ASN : amide:sc= -2.13 K(o=-3,f=-5.2!) USER MOD Set 3.1: A 34 TYR OH : rot 76:sc= 0.991 USER MOD Set 3.2: A 40 SER OG : rot -47:sc= 1.4 USER MOD Set 4.1: A 10 ASN : amide:sc= -0.806 K(o=-0.45,f=0.3) USER MOD Set 4.2: A 62 SER OG : rot -20:sc= 0.355 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 12 TYR OH : rot -131:sc= 0.00102 USER MOD Single : A 18 TYR OH : rot -93:sc= 1.05 USER MOD Single : A 20 SER OG : rot 180:sc= 0.197 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 100:sc= 1.26 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 89:sc= 1.24 USER MOD Single : A 33 MET CE :methyl -166:sc= -2.03 (180deg=-2.39) USER MOD Single : A 36 MET CE :methyl 145:sc= -0.764 (180deg=-1.05) USER MOD Single : A 37 ASN : amide:sc= -0.853 K(o=-0.85,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 61 THR OG1 : rot 144:sc= -3.14! USER MOD Single : A 66 SER OG : rot 180:sc= 0.00413 USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 1.34 (180deg=1.26) USER MOD Single : A 76 CYS SG : rot -29:sc= -3.06! USER MOD Single : A 90 THR OG1 : rot 131:sc= 1.51 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.653 -3.252 -22.682 1.00 0.00 N ATOM 123 CA PHE A 9 -0.579 -2.391 -23.804 1.00 0.00 C ATOM 124 C PHE A 9 -1.497 -2.953 -24.843 1.00 0.00 C ATOM 125 O PHE A 9 -1.362 -4.115 -25.256 1.00 0.00 O ATOM 126 CB PHE A 9 0.853 -2.268 -24.328 1.00 0.00 C ATOM 127 CG PHE A 9 1.764 -1.496 -23.422 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.446 -2.122 -22.398 1.00 0.00 C ATOM 129 CD2 PHE A 9 1.930 -0.131 -23.601 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.280 -1.407 -21.570 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.765 0.593 -22.773 1.00 0.00 C ATOM 132 CZ PHE A 9 3.440 -0.048 -21.755 1.00 0.00 C ATOM 0 HA PHE A 9 -0.881 -1.380 -23.530 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.263 -3.267 -24.475 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.832 -1.785 -25.305 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.324 -3.184 -22.245 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.400 0.372 -24.397 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.810 -1.909 -20.774 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.889 1.656 -22.922 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.093 0.513 -21.103 1.00 0.00 H new ATOM 142 N ASN A 10 -2.451 -2.183 -25.231 1.00 0.00 N ATOM 143 CA ASN A 10 -3.437 -2.638 -26.175 1.00 0.00 C ATOM 144 C ASN A 10 -2.948 -2.307 -27.553 1.00 0.00 C ATOM 145 O ASN A 10 -1.780 -1.962 -27.714 1.00 0.00 O ATOM 146 CB ASN A 10 -4.810 -2.018 -25.860 1.00 0.00 C ATOM 147 CG ASN A 10 -5.409 -2.574 -24.569 1.00 0.00 C ATOM 148 OD1 ASN A 10 -6.209 -3.506 -24.595 1.00 0.00 O ATOM 149 ND2 ASN A 10 -4.980 -2.057 -23.436 1.00 0.00 N ATOM 0 H ASN A 10 -2.579 -1.223 -24.911 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.574 -3.717 -26.108 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.708 -0.936 -25.775 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.493 -2.210 -26.688 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.312 -2.430 -22.547 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.315 -1.283 -23.448 1.00 0.00 H new ATOM 156 N THR A 11 -3.752 -2.450 -28.545 1.00 0.00 N ATOM 157 CA THR A 11 -3.286 -2.142 -29.838 1.00 0.00 C ATOM 158 C THR A 11 -4.423 -1.590 -30.716 1.00 0.00 C ATOM 159 O THR A 11 -5.514 -2.192 -30.850 1.00 0.00 O ATOM 160 CB THR A 11 -2.530 -3.367 -30.442 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.806 -3.018 -31.619 1.00 0.00 O ATOM 162 CG2 THR A 11 -3.454 -4.544 -30.724 1.00 0.00 C ATOM 0 H THR A 11 -4.718 -2.773 -28.484 1.00 0.00 H new ATOM 0 HA THR A 11 -2.554 -1.336 -29.789 1.00 0.00 H new ATOM 0 HB THR A 11 -1.817 -3.681 -29.679 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.345 -3.810 -31.966 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.876 -5.368 -31.143 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.926 -4.867 -29.796 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.222 -4.241 -31.435 1.00 0.00 H new ATOM 170 N TYR A 12 -4.186 -0.419 -31.252 1.00 0.00 N ATOM 171 CA TYR A 12 -5.148 0.304 -32.054 1.00 0.00 C ATOM 172 C TYR A 12 -4.563 0.686 -33.375 1.00 0.00 C ATOM 173 O TYR A 12 -3.363 0.640 -33.554 1.00 0.00 O ATOM 174 CB TYR A 12 -5.597 1.576 -31.352 1.00 0.00 C ATOM 175 CG TYR A 12 -6.444 1.364 -30.140 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.831 1.288 -30.239 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.862 1.266 -28.887 1.00 0.00 C ATOM 178 CE1 TYR A 12 -8.601 1.117 -29.108 1.00 0.00 C ATOM 179 CE2 TYR A 12 -6.622 1.090 -27.765 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.987 1.018 -27.875 1.00 0.00 C ATOM 181 OH TYR A 12 -8.747 0.845 -26.747 1.00 0.00 O ATOM 0 H TYR A 12 -3.299 0.072 -31.142 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.000 -0.359 -32.202 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.713 2.145 -31.064 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.153 2.188 -32.062 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.306 1.363 -31.206 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.788 1.330 -28.795 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.677 1.061 -29.186 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.150 1.008 -26.797 1.00 0.00 H new ATOM 0 HH TYR A 12 -8.469 1.490 -26.063 1.00 0.00 H new ATOM 191 N VAL A 13 -5.421 1.082 -34.261 1.00 0.00 N ATOM 192 CA VAL A 13 -5.090 1.527 -35.588 1.00 0.00 C ATOM 193 C VAL A 13 -5.801 2.850 -35.873 1.00 0.00 C ATOM 194 O VAL A 13 -6.958 3.037 -35.508 1.00 0.00 O ATOM 195 CB VAL A 13 -5.468 0.448 -36.664 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.456 1.013 -38.063 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.483 -0.680 -36.622 1.00 0.00 C ATOM 0 H VAL A 13 -6.423 1.107 -34.074 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.012 1.678 -35.647 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.475 0.105 -36.426 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.723 0.231 -38.774 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.176 1.828 -38.132 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.459 1.389 -38.295 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.751 -1.425 -37.371 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.484 -0.298 -36.831 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.497 -1.138 -35.633 1.00 0.00 H new ATOM 207 N VAL A 14 -5.110 3.754 -36.479 1.00 0.00 N ATOM 208 CA VAL A 14 -5.668 5.017 -36.835 1.00 0.00 C ATOM 209 C VAL A 14 -5.545 5.218 -38.318 1.00 0.00 C ATOM 210 O VAL A 14 -4.510 4.965 -38.891 1.00 0.00 O ATOM 211 CB VAL A 14 -5.019 6.192 -36.058 1.00 0.00 C ATOM 212 CG1 VAL A 14 -3.500 6.190 -36.197 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.608 7.537 -36.501 1.00 0.00 C ATOM 0 H VAL A 14 -4.132 3.638 -36.745 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.721 5.010 -36.555 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.251 6.051 -35.002 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.082 7.028 -35.639 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.100 5.256 -35.803 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.231 6.285 -37.249 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.135 8.344 -35.940 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.427 7.681 -37.566 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.681 7.544 -36.312 1.00 0.00 H new ATOM 223 N SER A 15 -6.602 5.616 -38.912 1.00 0.00 N ATOM 224 CA SER A 15 -6.654 5.862 -40.314 1.00 0.00 C ATOM 225 C SER A 15 -6.790 7.362 -40.551 1.00 0.00 C ATOM 226 O SER A 15 -7.786 7.962 -40.152 1.00 0.00 O ATOM 227 CB SER A 15 -7.825 5.073 -40.892 1.00 0.00 C ATOM 228 OG SER A 15 -7.615 3.675 -40.723 1.00 0.00 O ATOM 0 H SER A 15 -7.485 5.787 -38.430 1.00 0.00 H new ATOM 0 HA SER A 15 -5.742 5.535 -40.814 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.750 5.370 -40.399 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.940 5.304 -41.951 1.00 0.00 H new ATOM 0 HG SER A 15 -6.821 3.400 -41.227 1.00 0.00 H new ATOM 234 N PHE A 16 -5.758 7.972 -41.105 1.00 0.00 N ATOM 235 CA PHE A 16 -5.764 9.399 -41.365 1.00 0.00 C ATOM 236 C PHE A 16 -6.211 9.756 -42.766 1.00 0.00 C ATOM 237 O PHE A 16 -5.816 9.129 -43.749 1.00 0.00 O ATOM 238 CB PHE A 16 -4.400 10.033 -41.119 1.00 0.00 C ATOM 239 CG PHE A 16 -4.061 10.248 -39.688 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.426 9.276 -38.948 1.00 0.00 C ATOM 241 CD2 PHE A 16 -4.377 11.445 -39.083 1.00 0.00 C ATOM 242 CE1 PHE A 16 -3.115 9.501 -37.626 1.00 0.00 C ATOM 243 CE2 PHE A 16 -4.072 11.671 -37.769 1.00 0.00 C ATOM 244 CZ PHE A 16 -3.442 10.702 -37.036 1.00 0.00 C ATOM 0 H PHE A 16 -4.900 7.497 -41.385 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.492 9.799 -40.659 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.635 9.400 -41.568 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.363 10.993 -41.635 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.171 8.332 -39.407 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.873 12.216 -39.655 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.615 8.736 -37.051 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.328 12.614 -37.310 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.202 10.878 -35.998 1.00 0.00 H new ATOM 254 N ASP A 17 -7.015 10.779 -42.843 1.00 0.00 N ATOM 255 CA ASP A 17 -7.460 11.348 -44.100 1.00 0.00 C ATOM 256 C ASP A 17 -7.147 12.801 -44.140 1.00 0.00 C ATOM 257 O ASP A 17 -7.507 13.555 -43.223 1.00 0.00 O ATOM 258 CB ASP A 17 -8.942 11.136 -44.362 1.00 0.00 C ATOM 259 CG ASP A 17 -9.255 9.736 -44.785 1.00 0.00 C ATOM 260 OD1 ASP A 17 -8.959 9.380 -45.948 1.00 0.00 O ATOM 261 OD2 ASP A 17 -9.804 8.960 -43.985 1.00 0.00 O ATOM 0 H ASP A 17 -7.391 11.255 -42.023 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.920 10.823 -44.888 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.505 11.374 -43.459 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.273 11.828 -45.136 1.00 0.00 H new ATOM 266 N TYR A 18 -6.465 13.186 -45.175 1.00 0.00 N ATOM 267 CA TYR A 18 -6.011 14.532 -45.377 1.00 0.00 C ATOM 268 C TYR A 18 -5.629 14.671 -46.840 1.00 0.00 C ATOM 269 O TYR A 18 -5.062 13.731 -47.424 1.00 0.00 O ATOM 270 CB TYR A 18 -4.791 14.834 -44.452 1.00 0.00 C ATOM 271 CG TYR A 18 -3.617 13.876 -44.638 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.600 12.639 -43.999 1.00 0.00 C ATOM 273 CD2 TYR A 18 -2.556 14.193 -45.476 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.568 11.751 -44.184 1.00 0.00 C ATOM 275 CE2 TYR A 18 -1.521 13.299 -45.674 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.534 12.079 -45.025 1.00 0.00 C ATOM 277 OH TYR A 18 -0.517 11.173 -45.236 1.00 0.00 O ATOM 0 H TYR A 18 -6.199 12.552 -45.929 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.795 15.246 -45.126 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.449 15.852 -44.640 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.118 14.794 -43.413 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.416 12.372 -43.344 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.540 15.149 -45.979 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.570 10.801 -43.671 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.705 13.553 -46.334 1.00 0.00 H new ATOM 0 HH TYR A 18 0.215 11.351 -44.610 1.00 0.00 H new ATOM 287 N PRO A 19 -5.990 15.779 -47.477 1.00 0.00 N ATOM 288 CA PRO A 19 -5.609 16.030 -48.854 1.00 0.00 C ATOM 289 C PRO A 19 -4.100 16.228 -49.002 1.00 0.00 C ATOM 290 O PRO A 19 -3.396 16.585 -48.037 1.00 0.00 O ATOM 291 CB PRO A 19 -6.359 17.302 -49.245 1.00 0.00 C ATOM 292 CG PRO A 19 -6.816 17.920 -47.974 1.00 0.00 C ATOM 293 CD PRO A 19 -6.838 16.844 -46.925 1.00 0.00 C ATOM 0 HA PRO A 19 -5.859 15.184 -49.494 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.711 17.982 -49.798 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.205 17.072 -49.892 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.146 18.728 -47.679 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.808 18.356 -48.096 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.450 17.208 -45.974 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.852 16.489 -46.741 1.00 0.00 H new ATOM 301 N SER A 20 -3.627 16.051 -50.207 1.00 0.00 N ATOM 302 CA SER A 20 -2.228 16.111 -50.548 1.00 0.00 C ATOM 303 C SER A 20 -1.588 17.488 -50.290 1.00 0.00 C ATOM 304 O SER A 20 -0.363 17.598 -50.179 1.00 0.00 O ATOM 305 CB SER A 20 -2.108 15.685 -51.995 1.00 0.00 C ATOM 306 OG SER A 20 -3.329 15.978 -52.671 1.00 0.00 O ATOM 0 H SER A 20 -4.226 15.854 -51.008 1.00 0.00 H new ATOM 0 HA SER A 20 -1.668 15.439 -49.898 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.279 16.207 -52.473 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.891 14.619 -52.056 1.00 0.00 H new ATOM 0 HG SER A 20 -3.257 15.706 -53.610 1.00 0.00 H new ATOM 312 N SER A 21 -2.407 18.511 -50.163 1.00 0.00 N ATOM 313 CA SER A 21 -1.935 19.856 -49.885 1.00 0.00 C ATOM 314 C SER A 21 -1.367 19.980 -48.471 1.00 0.00 C ATOM 315 O SER A 21 -0.649 20.925 -48.183 1.00 0.00 O ATOM 316 CB SER A 21 -3.058 20.890 -50.113 1.00 0.00 C ATOM 317 OG SER A 21 -2.613 22.231 -49.879 1.00 0.00 O ATOM 0 H SER A 21 -3.421 18.436 -50.249 1.00 0.00 H new ATOM 0 HA SER A 21 -1.124 20.065 -50.583 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.427 20.804 -51.135 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.896 20.666 -49.452 1.00 0.00 H new ATOM 0 HG SER A 21 -3.354 22.853 -50.036 1.00 0.00 H new ATOM 323 N TYR A 22 -1.658 19.030 -47.602 1.00 0.00 N ATOM 324 CA TYR A 22 -1.171 19.119 -46.230 1.00 0.00 C ATOM 325 C TYR A 22 -0.076 18.126 -45.963 1.00 0.00 C ATOM 326 O TYR A 22 0.260 17.883 -44.815 1.00 0.00 O ATOM 327 CB TYR A 22 -2.292 18.908 -45.217 1.00 0.00 C ATOM 328 CG TYR A 22 -3.394 19.928 -45.244 1.00 0.00 C ATOM 329 CD1 TYR A 22 -4.449 19.800 -46.111 1.00 0.00 C ATOM 330 CD2 TYR A 22 -3.379 21.005 -44.383 1.00 0.00 C ATOM 331 CE1 TYR A 22 -5.473 20.720 -46.133 1.00 0.00 C ATOM 332 CE2 TYR A 22 -4.398 21.937 -44.389 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.444 21.789 -45.268 1.00 0.00 C ATOM 334 OH TYR A 22 -6.467 22.714 -45.283 1.00 0.00 O ATOM 0 H TYR A 22 -2.217 18.203 -47.811 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.773 20.127 -46.114 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.729 17.924 -45.386 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.857 18.897 -44.218 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.477 18.961 -46.790 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.557 21.122 -43.693 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.294 20.603 -46.825 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.373 22.775 -43.709 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.293 23.405 -44.610 1.00 0.00 H new ATOM 344 N SER A 23 0.521 17.605 -47.001 1.00 0.00 N ATOM 345 CA SER A 23 1.551 16.606 -46.854 1.00 0.00 C ATOM 346 C SER A 23 2.756 17.161 -46.088 1.00 0.00 C ATOM 347 O SER A 23 3.205 16.554 -45.122 1.00 0.00 O ATOM 348 CB SER A 23 1.951 16.084 -48.219 1.00 0.00 C ATOM 349 OG SER A 23 0.813 15.568 -48.903 1.00 0.00 O ATOM 0 H SER A 23 0.311 17.857 -47.967 1.00 0.00 H new ATOM 0 HA SER A 23 1.158 15.776 -46.267 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.403 16.885 -48.804 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.704 15.303 -48.111 1.00 0.00 H new ATOM 0 HG SER A 23 0.483 16.236 -49.539 1.00 0.00 H new ATOM 355 N SER A 24 3.176 18.375 -46.433 1.00 0.00 N ATOM 356 CA SER A 24 4.359 18.994 -45.828 1.00 0.00 C ATOM 357 C SER A 24 4.107 19.320 -44.347 1.00 0.00 C ATOM 358 O SER A 24 5.029 19.415 -43.531 1.00 0.00 O ATOM 359 CB SER A 24 4.698 20.258 -46.598 1.00 0.00 C ATOM 360 OG SER A 24 4.734 19.999 -48.002 1.00 0.00 O ATOM 0 H SER A 24 2.713 18.955 -47.133 1.00 0.00 H new ATOM 0 HA SER A 24 5.196 18.297 -45.877 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.958 21.029 -46.384 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.664 20.642 -46.269 1.00 0.00 H new ATOM 0 HG SER A 24 4.952 20.825 -48.482 1.00 0.00 H new ATOM 366 N VAL A 25 2.856 19.426 -44.023 1.00 0.00 N ATOM 367 CA VAL A 25 2.399 19.750 -42.699 1.00 0.00 C ATOM 368 C VAL A 25 2.275 18.492 -41.884 1.00 0.00 C ATOM 369 O VAL A 25 2.585 18.448 -40.693 1.00 0.00 O ATOM 370 CB VAL A 25 1.018 20.401 -42.791 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.425 20.641 -41.428 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.093 21.668 -43.595 1.00 0.00 C ATOM 0 H VAL A 25 2.098 19.286 -44.690 1.00 0.00 H new ATOM 0 HA VAL A 25 3.111 20.429 -42.230 1.00 0.00 H new ATOM 0 HB VAL A 25 0.349 19.711 -43.306 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.556 21.105 -41.534 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.322 19.691 -40.903 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.078 21.301 -40.858 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.103 22.121 -43.653 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.783 22.363 -43.116 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.447 21.440 -44.600 1.00 0.00 H new ATOM 382 N PHE A 26 1.879 17.466 -42.544 1.00 0.00 N ATOM 383 CA PHE A 26 1.597 16.239 -41.925 1.00 0.00 C ATOM 384 C PHE A 26 2.870 15.512 -41.563 1.00 0.00 C ATOM 385 O PHE A 26 2.878 14.685 -40.669 1.00 0.00 O ATOM 386 CB PHE A 26 0.689 15.421 -42.831 1.00 0.00 C ATOM 387 CG PHE A 26 0.781 13.957 -42.591 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.084 13.375 -41.553 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.621 13.171 -43.364 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.214 12.035 -41.295 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.765 11.835 -43.102 1.00 0.00 C ATOM 392 CZ PHE A 26 1.059 11.265 -42.071 1.00 0.00 C ATOM 0 H PHE A 26 1.741 17.464 -43.555 1.00 0.00 H new ATOM 0 HA PHE A 26 1.070 16.409 -40.986 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.342 15.742 -42.685 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.943 15.628 -43.871 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.568 13.979 -40.940 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.168 13.617 -44.182 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.342 11.582 -40.488 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.430 11.233 -43.703 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.165 10.210 -41.866 1.00 0.00 H new ATOM 402 N LEU A 27 3.959 15.853 -42.224 1.00 0.00 N ATOM 403 CA LEU A 27 5.248 15.231 -41.929 1.00 0.00 C ATOM 404 C LEU A 27 5.616 15.502 -40.471 1.00 0.00 C ATOM 405 O LEU A 27 6.320 14.729 -39.836 1.00 0.00 O ATOM 406 CB LEU A 27 6.353 15.784 -42.814 1.00 0.00 C ATOM 407 CG LEU A 27 6.068 15.886 -44.301 1.00 0.00 C ATOM 408 CD1 LEU A 27 7.287 16.384 -45.037 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.562 14.569 -44.870 1.00 0.00 C ATOM 0 H LEU A 27 3.984 16.553 -42.966 1.00 0.00 H new ATOM 0 HA LEU A 27 5.153 14.162 -42.117 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.610 16.779 -42.451 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.236 15.159 -42.682 1.00 0.00 H new ATOM 0 HG LEU A 27 5.268 16.613 -44.443 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.066 16.452 -46.102 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.562 17.369 -44.660 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.114 15.692 -44.881 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.370 14.684 -45.937 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.314 13.794 -44.718 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.640 14.284 -44.364 1.00 0.00 H new ATOM 421 N ARG A 28 5.079 16.584 -39.952 1.00 0.00 N ATOM 422 CA ARG A 28 5.288 16.962 -38.577 1.00 0.00 C ATOM 423 C ARG A 28 4.536 15.980 -37.721 1.00 0.00 C ATOM 424 O ARG A 28 5.102 15.299 -36.898 1.00 0.00 O ATOM 425 CB ARG A 28 4.732 18.361 -38.321 1.00 0.00 C ATOM 426 CG ARG A 28 5.233 19.426 -39.279 1.00 0.00 C ATOM 427 CD ARG A 28 6.728 19.479 -39.289 1.00 0.00 C ATOM 428 NE ARG A 28 7.259 19.767 -37.946 1.00 0.00 N ATOM 429 CZ ARG A 28 8.529 20.016 -37.647 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.464 20.003 -38.597 1.00 0.00 N ATOM 431 NH2 ARG A 28 8.857 20.251 -36.382 1.00 0.00 N ATOM 0 H ARG A 28 4.484 17.226 -40.475 1.00 0.00 H new ATOM 0 HA ARG A 28 6.354 16.961 -38.348 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.644 18.321 -38.379 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.986 18.658 -37.303 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.866 19.217 -40.284 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.833 20.398 -38.989 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.126 18.528 -39.644 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.063 20.246 -39.988 1.00 0.00 H new ATOM 0 HE ARG A 28 6.591 19.776 -37.175 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.207 19.801 -39.563 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.437 20.195 -38.358 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.139 20.238 -35.658 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.827 20.444 -36.134 1.00 0.00 H new ATOM 445 N LEU A 29 3.262 15.852 -38.027 1.00 0.00 N ATOM 446 CA LEU A 29 2.340 14.982 -37.316 1.00 0.00 C ATOM 447 C LEU A 29 2.832 13.524 -37.397 1.00 0.00 C ATOM 448 O LEU A 29 2.720 12.772 -36.435 1.00 0.00 O ATOM 449 CB LEU A 29 0.932 15.148 -37.952 1.00 0.00 C ATOM 450 CG LEU A 29 -0.317 14.674 -37.160 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.446 13.168 -37.133 1.00 0.00 C ATOM 452 CD2 LEU A 29 -0.294 15.227 -35.740 1.00 0.00 C ATOM 0 H LEU A 29 2.825 16.361 -38.795 1.00 0.00 H new ATOM 0 HA LEU A 29 2.287 15.249 -36.261 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.796 16.206 -38.177 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.937 14.618 -38.904 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.190 15.064 -37.683 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.335 12.889 -36.567 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.532 12.792 -38.152 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.436 12.736 -36.660 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.177 14.884 -35.201 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.602 14.877 -35.228 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.290 16.316 -35.774 1.00 0.00 H new ATOM 464 N ARG A 30 3.444 13.160 -38.524 1.00 0.00 N ATOM 465 CA ARG A 30 3.920 11.791 -38.718 1.00 0.00 C ATOM 466 C ARG A 30 5.116 11.550 -37.816 1.00 0.00 C ATOM 467 O ARG A 30 5.289 10.471 -37.259 1.00 0.00 O ATOM 468 CB ARG A 30 4.255 11.491 -40.203 1.00 0.00 C ATOM 469 CG ARG A 30 5.672 11.834 -40.633 1.00 0.00 C ATOM 470 CD ARG A 30 5.924 11.604 -42.115 1.00 0.00 C ATOM 471 NE ARG A 30 7.325 11.877 -42.429 1.00 0.00 N ATOM 472 CZ ARG A 30 7.927 11.747 -43.616 1.00 0.00 C ATOM 473 NH1 ARG A 30 7.245 11.367 -44.693 1.00 0.00 N ATOM 474 NH2 ARG A 30 9.222 12.007 -43.709 1.00 0.00 N ATOM 0 H ARG A 30 3.620 13.787 -39.309 1.00 0.00 H new ATOM 0 HA ARG A 30 3.120 11.102 -38.447 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.083 10.431 -40.390 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.558 12.043 -40.834 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.873 12.879 -40.395 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.375 11.234 -40.055 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.676 10.576 -42.380 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.277 12.250 -42.708 1.00 0.00 H new ATOM 0 HE ARG A 30 7.908 12.203 -41.658 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.247 11.170 -44.621 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.720 11.273 -45.591 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.744 12.301 -42.883 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.698 11.913 -44.606 1.00 0.00 H new ATOM 488 N SER A 31 5.890 12.596 -37.626 1.00 0.00 N ATOM 489 CA SER A 31 7.039 12.546 -36.757 1.00 0.00 C ATOM 490 C SER A 31 6.563 12.415 -35.316 1.00 0.00 C ATOM 491 O SER A 31 7.165 11.709 -34.515 1.00 0.00 O ATOM 492 CB SER A 31 7.910 13.797 -36.939 1.00 0.00 C ATOM 493 OG SER A 31 8.340 13.928 -38.295 1.00 0.00 O ATOM 0 H SER A 31 5.739 13.502 -38.070 1.00 0.00 H new ATOM 0 HA SER A 31 7.653 11.682 -37.011 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.347 14.683 -36.645 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.778 13.739 -36.282 1.00 0.00 H new ATOM 0 HG SER A 31 7.675 14.440 -38.801 1.00 0.00 H new ATOM 499 N LEU A 32 5.431 13.035 -35.026 1.00 0.00 N ATOM 500 CA LEU A 32 4.839 12.993 -33.692 1.00 0.00 C ATOM 501 C LEU A 32 4.347 11.602 -33.359 1.00 0.00 C ATOM 502 O LEU A 32 4.414 11.173 -32.216 1.00 0.00 O ATOM 503 CB LEU A 32 3.693 14.007 -33.543 1.00 0.00 C ATOM 504 CG LEU A 32 4.045 15.442 -33.075 1.00 0.00 C ATOM 505 CD1 LEU A 32 4.579 15.434 -31.655 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.053 16.109 -33.982 1.00 0.00 C ATOM 0 H LEU A 32 4.896 13.580 -35.702 1.00 0.00 H new ATOM 0 HA LEU A 32 5.625 13.266 -32.987 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.189 14.085 -34.506 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.972 13.594 -32.838 1.00 0.00 H new ATOM 0 HG LEU A 32 3.119 16.015 -33.115 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.818 16.453 -31.351 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.824 15.023 -30.985 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.479 14.820 -31.608 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.267 17.112 -33.613 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.972 15.524 -33.997 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.647 16.173 -34.992 1.00 0.00 H new ATOM 518 N MET A 33 3.862 10.903 -34.364 1.00 0.00 N ATOM 519 CA MET A 33 3.375 9.545 -34.208 1.00 0.00 C ATOM 520 C MET A 33 4.454 8.642 -33.648 1.00 0.00 C ATOM 521 O MET A 33 4.252 7.972 -32.638 1.00 0.00 O ATOM 522 CB MET A 33 2.946 8.969 -35.544 1.00 0.00 C ATOM 523 CG MET A 33 1.913 9.750 -36.276 1.00 0.00 C ATOM 524 SD MET A 33 1.479 8.939 -37.811 1.00 0.00 S ATOM 525 CE MET A 33 0.271 10.068 -38.445 1.00 0.00 C ATOM 0 H MET A 33 3.793 11.261 -35.317 1.00 0.00 H new ATOM 0 HA MET A 33 2.528 9.589 -33.523 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.826 8.878 -36.180 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.566 7.961 -35.380 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.025 9.861 -35.654 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.286 10.753 -36.482 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.276 9.596 -39.261 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.425 10.339 -37.651 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.769 10.965 -38.813 1.00 0.00 H new ATOM 535 N TYR A 34 5.601 8.644 -34.299 1.00 0.00 N ATOM 536 CA TYR A 34 6.691 7.769 -33.913 1.00 0.00 C ATOM 537 C TYR A 34 7.438 8.328 -32.722 1.00 0.00 C ATOM 538 O TYR A 34 8.164 7.615 -32.032 1.00 0.00 O ATOM 539 CB TYR A 34 7.604 7.534 -35.097 1.00 0.00 C ATOM 540 CG TYR A 34 6.843 7.030 -36.303 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.045 5.890 -36.225 1.00 0.00 C ATOM 542 CD2 TYR A 34 6.908 7.702 -37.512 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.340 5.448 -37.314 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.203 7.259 -38.612 1.00 0.00 C ATOM 545 CZ TYR A 34 5.419 6.131 -38.505 1.00 0.00 C ATOM 546 OH TYR A 34 4.712 5.664 -39.604 1.00 0.00 O ATOM 0 H TYR A 34 5.802 9.243 -35.099 1.00 0.00 H new ATOM 0 HA TYR A 34 6.284 6.806 -33.605 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.115 8.463 -35.352 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.373 6.811 -34.825 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.981 5.347 -35.293 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.521 8.587 -37.595 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.723 4.565 -37.237 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.265 7.792 -39.549 1.00 0.00 H new ATOM 0 HH TYR A 34 3.763 5.884 -39.500 1.00 0.00 H new ATOM 556 N ASP A 35 7.262 9.614 -32.500 1.00 0.00 N ATOM 557 CA ASP A 35 7.759 10.277 -31.301 1.00 0.00 C ATOM 558 C ASP A 35 7.006 9.700 -30.103 1.00 0.00 C ATOM 559 O ASP A 35 7.562 9.515 -29.012 1.00 0.00 O ATOM 560 CB ASP A 35 7.511 11.787 -31.408 1.00 0.00 C ATOM 561 CG ASP A 35 8.004 12.581 -30.231 1.00 0.00 C ATOM 562 OD1 ASP A 35 9.190 12.953 -30.198 1.00 0.00 O ATOM 563 OD2 ASP A 35 7.217 12.879 -29.317 1.00 0.00 O ATOM 0 H ASP A 35 6.770 10.234 -33.143 1.00 0.00 H new ATOM 0 HA ASP A 35 8.830 10.114 -31.184 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.995 12.160 -32.311 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.441 11.960 -31.525 1.00 0.00 H new ATOM 568 N MET A 36 5.741 9.390 -30.344 1.00 0.00 N ATOM 569 CA MET A 36 4.873 8.759 -29.382 1.00 0.00 C ATOM 570 C MET A 36 4.897 7.224 -29.573 1.00 0.00 C ATOM 571 O MET A 36 5.910 6.660 -29.966 1.00 0.00 O ATOM 572 CB MET A 36 3.447 9.321 -29.510 1.00 0.00 C ATOM 573 CG MET A 36 3.322 10.766 -29.060 1.00 0.00 C ATOM 574 SD MET A 36 1.635 11.421 -29.199 1.00 0.00 S ATOM 575 CE MET A 36 1.454 11.538 -30.980 1.00 0.00 C ATOM 0 H MET A 36 5.286 9.578 -31.237 1.00 0.00 H new ATOM 0 HA MET A 36 5.229 8.977 -28.375 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.126 9.243 -30.549 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.768 8.705 -28.920 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.651 10.846 -28.024 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.994 11.384 -29.656 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.424 11.311 -31.257 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.703 12.548 -31.305 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.125 10.826 -31.461 1.00 0.00 H new ATOM 585 N ASN A 37 3.787 6.555 -29.292 1.00 0.00 N ATOM 586 CA ASN A 37 3.741 5.074 -29.309 1.00 0.00 C ATOM 587 C ASN A 37 3.276 4.483 -30.634 1.00 0.00 C ATOM 588 O ASN A 37 3.136 3.261 -30.746 1.00 0.00 O ATOM 589 CB ASN A 37 2.831 4.525 -28.206 1.00 0.00 C ATOM 590 CG ASN A 37 3.403 4.516 -26.803 1.00 0.00 C ATOM 591 OD1 ASN A 37 3.074 3.647 -25.997 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.188 5.486 -26.473 1.00 0.00 N ATOM 0 H ASN A 37 2.902 7.000 -29.049 1.00 0.00 H new ATOM 0 HA ASN A 37 4.775 4.772 -29.144 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.913 5.112 -28.197 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.554 3.504 -28.468 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.553 5.546 -25.522 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.444 6.192 -27.163 1.00 0.00 H new ATOM 599 N PHE A 38 2.974 5.317 -31.602 1.00 0.00 N ATOM 600 CA PHE A 38 2.512 4.824 -32.905 1.00 0.00 C ATOM 601 C PHE A 38 3.609 4.057 -33.655 1.00 0.00 C ATOM 602 O PHE A 38 4.801 4.278 -33.442 1.00 0.00 O ATOM 603 CB PHE A 38 1.991 5.952 -33.779 1.00 0.00 C ATOM 604 CG PHE A 38 0.832 6.671 -33.185 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.037 7.723 -32.314 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.463 6.290 -33.482 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.015 8.380 -31.745 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.527 6.953 -32.915 1.00 0.00 C ATOM 609 CZ PHE A 38 -1.292 8.001 -32.042 1.00 0.00 C ATOM 0 H PHE A 38 3.035 6.332 -31.526 1.00 0.00 H new ATOM 0 HA PHE A 38 1.694 4.135 -32.695 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.797 6.663 -33.960 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.700 5.546 -34.748 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.045 8.030 -32.080 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.640 5.469 -34.161 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.162 9.197 -31.062 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.539 6.658 -33.150 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.125 8.522 -31.593 1.00 0.00 H new ATOM 619 N SER A 39 3.203 3.157 -34.506 1.00 0.00 N ATOM 620 CA SER A 39 4.111 2.356 -35.284 1.00 0.00 C ATOM 621 C SER A 39 3.676 2.296 -36.756 1.00 0.00 C ATOM 622 O SER A 39 2.525 2.626 -37.102 1.00 0.00 O ATOM 623 CB SER A 39 4.168 0.952 -34.709 1.00 0.00 C ATOM 624 OG SER A 39 4.567 0.966 -33.333 1.00 0.00 O ATOM 0 H SER A 39 2.219 2.955 -34.682 1.00 0.00 H new ATOM 0 HA SER A 39 5.099 2.815 -35.240 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.190 0.480 -34.801 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.869 0.349 -35.286 1.00 0.00 H new ATOM 0 HG SER A 39 4.593 0.048 -32.991 1.00 0.00 H new ATOM 630 N SER A 40 4.597 1.882 -37.600 1.00 0.00 N ATOM 631 CA SER A 40 4.390 1.753 -39.015 1.00 0.00 C ATOM 632 C SER A 40 4.025 0.317 -39.362 1.00 0.00 C ATOM 633 O SER A 40 3.452 0.046 -40.424 1.00 0.00 O ATOM 634 CB SER A 40 5.687 2.066 -39.713 1.00 0.00 C ATOM 635 OG SER A 40 6.253 3.270 -39.247 1.00 0.00 O ATOM 0 H SER A 40 5.537 1.619 -37.305 1.00 0.00 H new ATOM 0 HA SER A 40 3.591 2.427 -39.322 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.391 1.249 -39.556 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.514 2.137 -40.787 1.00 0.00 H new ATOM 0 HG SER A 40 5.563 3.966 -39.218 1.00 0.00 H new ATOM 641 N ILE A 41 4.423 -0.579 -38.498 1.00 0.00 N ATOM 642 CA ILE A 41 4.205 -1.995 -38.639 1.00 0.00 C ATOM 643 C ILE A 41 3.504 -2.514 -37.391 1.00 0.00 C ATOM 644 O ILE A 41 3.742 -2.008 -36.285 1.00 0.00 O ATOM 645 CB ILE A 41 5.578 -2.784 -38.820 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.113 -2.763 -40.253 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.533 -4.208 -38.306 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.656 -1.448 -40.708 1.00 0.00 C ATOM 0 H ILE A 41 4.926 -0.334 -37.645 1.00 0.00 H new ATOM 0 HA ILE A 41 3.595 -2.158 -39.527 1.00 0.00 H new ATOM 0 HB ILE A 41 6.277 -2.227 -38.196 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.899 -3.513 -40.342 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.311 -3.060 -40.928 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.502 -4.682 -38.463 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.299 -4.203 -37.241 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.765 -4.765 -38.844 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.010 -1.536 -41.735 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.871 -0.693 -40.658 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.484 -1.153 -40.063 1.00 0.00 H new ATOM 660 N VAL A 42 2.641 -3.473 -37.582 1.00 0.00 N ATOM 661 CA VAL A 42 1.996 -4.190 -36.515 1.00 0.00 C ATOM 662 C VAL A 42 1.658 -5.566 -37.080 1.00 0.00 C ATOM 663 O VAL A 42 1.482 -5.701 -38.297 1.00 0.00 O ATOM 664 CB VAL A 42 0.718 -3.454 -35.991 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.330 -3.363 -37.056 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.159 -4.102 -34.739 1.00 0.00 C ATOM 0 H VAL A 42 2.358 -3.787 -38.510 1.00 0.00 H new ATOM 0 HA VAL A 42 2.653 -4.264 -35.649 1.00 0.00 H new ATOM 0 HB VAL A 42 1.023 -2.442 -35.724 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.205 -2.847 -36.662 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.064 -2.810 -37.908 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.613 -4.366 -37.374 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.727 -3.558 -34.412 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.109 -5.136 -34.954 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.911 -4.078 -33.950 1.00 0.00 H new ATOM 676 N ALA A 43 1.641 -6.572 -36.260 1.00 0.00 N ATOM 677 CA ALA A 43 1.363 -7.904 -36.732 1.00 0.00 C ATOM 678 C ALA A 43 -0.120 -8.125 -36.957 1.00 0.00 C ATOM 679 O ALA A 43 -0.960 -7.663 -36.166 1.00 0.00 O ATOM 680 CB ALA A 43 1.927 -8.943 -35.790 1.00 0.00 C ATOM 0 H ALA A 43 1.816 -6.501 -35.258 1.00 0.00 H new ATOM 0 HA ALA A 43 1.858 -8.014 -37.697 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.703 -9.939 -36.171 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.007 -8.818 -35.715 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.478 -8.822 -34.804 1.00 0.00 H new ATOM 686 N ASP A 44 -0.425 -8.816 -38.037 1.00 0.00 N ATOM 687 CA ASP A 44 -1.791 -9.163 -38.416 1.00 0.00 C ATOM 688 C ASP A 44 -2.291 -10.366 -37.613 1.00 0.00 C ATOM 689 O ASP A 44 -1.666 -10.770 -36.617 1.00 0.00 O ATOM 690 CB ASP A 44 -1.904 -9.446 -39.950 1.00 0.00 C ATOM 691 CG ASP A 44 -0.984 -10.555 -40.478 1.00 0.00 C ATOM 692 OD1 ASP A 44 -0.695 -11.517 -39.735 1.00 0.00 O ATOM 693 OD2 ASP A 44 -0.561 -10.478 -41.660 1.00 0.00 O ATOM 0 H ASP A 44 0.278 -9.161 -38.691 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.423 -8.305 -38.185 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.936 -9.712 -40.179 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.684 -8.525 -40.490 1.00 0.00 H new ATOM 698 N GLU A 45 -3.404 -10.944 -38.057 1.00 0.00 N ATOM 699 CA GLU A 45 -4.034 -12.074 -37.379 1.00 0.00 C ATOM 700 C GLU A 45 -3.128 -13.303 -37.393 1.00 0.00 C ATOM 701 O GLU A 45 -3.168 -14.128 -36.475 1.00 0.00 O ATOM 702 CB GLU A 45 -5.367 -12.427 -38.046 1.00 0.00 C ATOM 703 CG GLU A 45 -5.215 -12.992 -39.454 1.00 0.00 C ATOM 704 CD GLU A 45 -6.520 -13.381 -40.080 1.00 0.00 C ATOM 705 OE1 GLU A 45 -6.954 -14.541 -39.883 1.00 0.00 O ATOM 706 OE2 GLU A 45 -7.125 -12.563 -40.779 1.00 0.00 O ATOM 0 H GLU A 45 -3.895 -10.642 -38.898 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.210 -11.776 -36.345 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.892 -13.154 -37.427 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.991 -11.534 -38.087 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.724 -12.251 -40.085 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.562 -13.864 -39.420 1.00 0.00 H new ATOM 713 N TYR A 46 -2.303 -13.411 -38.422 1.00 0.00 N ATOM 714 CA TYR A 46 -1.435 -14.542 -38.575 1.00 0.00 C ATOM 715 C TYR A 46 -0.234 -14.317 -37.709 1.00 0.00 C ATOM 716 O TYR A 46 0.312 -15.236 -37.094 1.00 0.00 O ATOM 717 CB TYR A 46 -0.970 -14.688 -40.022 1.00 0.00 C ATOM 718 CG TYR A 46 -2.073 -14.771 -41.032 1.00 0.00 C ATOM 719 CD1 TYR A 46 -2.753 -15.955 -41.247 1.00 0.00 C ATOM 720 CD2 TYR A 46 -2.431 -13.657 -41.779 1.00 0.00 C ATOM 721 CE1 TYR A 46 -3.761 -16.033 -42.176 1.00 0.00 C ATOM 722 CE2 TYR A 46 -3.439 -13.726 -42.711 1.00 0.00 C ATOM 723 CZ TYR A 46 -4.100 -14.919 -42.907 1.00 0.00 C ATOM 724 OH TYR A 46 -5.107 -15.001 -43.832 1.00 0.00 O ATOM 0 H TYR A 46 -2.224 -12.716 -39.164 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.973 -15.447 -38.293 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.332 -13.840 -40.271 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.355 -15.584 -40.102 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.487 -16.832 -40.676 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.910 -12.723 -41.626 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.285 -16.965 -42.332 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.711 -12.852 -43.285 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.226 -14.129 -44.264 1.00 0.00 H new ATOM 734 N GLY A 47 0.162 -13.082 -37.660 1.00 0.00 N ATOM 735 CA GLY A 47 1.289 -12.684 -36.895 1.00 0.00 C ATOM 736 C GLY A 47 2.341 -12.094 -37.775 1.00 0.00 C ATOM 737 O GLY A 47 3.511 -12.012 -37.387 1.00 0.00 O ATOM 0 H GLY A 47 -0.297 -12.319 -38.157 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.986 -11.955 -36.143 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.694 -13.543 -36.361 1.00 0.00 H new ATOM 741 N ILE A 48 1.941 -11.681 -38.951 1.00 0.00 N ATOM 742 CA ILE A 48 2.833 -11.112 -39.903 1.00 0.00 C ATOM 743 C ILE A 48 2.892 -9.615 -39.708 1.00 0.00 C ATOM 744 O ILE A 48 1.854 -8.960 -39.616 1.00 0.00 O ATOM 745 CB ILE A 48 2.451 -11.493 -41.386 1.00 0.00 C ATOM 746 CG1 ILE A 48 3.026 -12.864 -41.779 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.874 -10.431 -42.390 1.00 0.00 C ATOM 748 CD1 ILE A 48 2.506 -14.026 -40.973 1.00 0.00 C ATOM 0 H ILE A 48 0.973 -11.735 -39.269 1.00 0.00 H new ATOM 0 HA ILE A 48 3.825 -11.530 -39.733 1.00 0.00 H new ATOM 0 HB ILE A 48 1.363 -11.551 -41.416 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.808 -13.045 -42.832 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.111 -12.829 -41.680 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.587 -10.744 -43.394 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.384 -9.488 -42.150 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.955 -10.299 -42.346 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.969 -14.948 -41.324 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.748 -13.876 -39.921 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.425 -14.095 -41.091 1.00 0.00 H new ATOM 760 N PRO A 49 4.095 -9.066 -39.563 1.00 0.00 N ATOM 761 CA PRO A 49 4.289 -7.638 -39.413 1.00 0.00 C ATOM 762 C PRO A 49 3.891 -6.897 -40.685 1.00 0.00 C ATOM 763 O PRO A 49 4.584 -6.942 -41.695 1.00 0.00 O ATOM 764 CB PRO A 49 5.788 -7.496 -39.127 1.00 0.00 C ATOM 765 CG PRO A 49 6.405 -8.743 -39.653 1.00 0.00 C ATOM 766 CD PRO A 49 5.368 -9.809 -39.514 1.00 0.00 C ATOM 0 HA PRO A 49 3.674 -7.209 -38.622 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.201 -6.615 -39.618 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.976 -7.383 -38.059 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.702 -8.622 -40.695 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.304 -8.999 -39.093 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.436 -10.541 -40.319 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.478 -10.355 -38.577 1.00 0.00 H new ATOM 774 N ARG A 50 2.754 -6.289 -40.637 1.00 0.00 N ATOM 775 CA ARG A 50 2.200 -5.571 -41.749 1.00 0.00 C ATOM 776 C ARG A 50 2.516 -4.097 -41.684 1.00 0.00 C ATOM 777 O ARG A 50 2.583 -3.516 -40.600 1.00 0.00 O ATOM 778 CB ARG A 50 0.706 -5.721 -41.718 1.00 0.00 C ATOM 779 CG ARG A 50 0.200 -7.117 -41.953 1.00 0.00 C ATOM 780 CD ARG A 50 0.503 -7.561 -43.351 1.00 0.00 C ATOM 781 NE ARG A 50 -0.271 -8.727 -43.723 1.00 0.00 N ATOM 782 CZ ARG A 50 -0.842 -8.888 -44.920 1.00 0.00 C ATOM 783 NH1 ARG A 50 -0.718 -7.944 -45.860 1.00 0.00 N ATOM 784 NH2 ARG A 50 -1.538 -9.975 -45.173 1.00 0.00 N ATOM 0 H ARG A 50 2.164 -6.274 -39.805 1.00 0.00 H new ATOM 0 HA ARG A 50 2.634 -5.981 -42.661 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.342 -5.377 -40.750 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.275 -5.063 -42.472 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.661 -7.801 -41.241 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.875 -7.153 -41.779 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.292 -6.747 -44.045 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.566 -7.787 -43.439 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.387 -9.468 -43.031 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.185 -7.096 -45.664 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.156 -8.072 -46.772 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.641 -10.693 -44.456 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.975 -10.100 -46.086 1.00 0.00 H new ATOM 798 N GLN A 51 2.697 -3.504 -42.841 1.00 0.00 N ATOM 799 CA GLN A 51 2.863 -2.085 -42.968 1.00 0.00 C ATOM 800 C GLN A 51 1.519 -1.422 -43.011 1.00 0.00 C ATOM 801 O GLN A 51 0.578 -1.905 -43.638 1.00 0.00 O ATOM 802 CB GLN A 51 3.618 -1.728 -44.219 1.00 0.00 C ATOM 803 CG GLN A 51 5.076 -1.540 -44.010 1.00 0.00 C ATOM 804 CD GLN A 51 5.400 -0.067 -43.901 1.00 0.00 C ATOM 805 OE1 GLN A 51 5.719 0.578 -44.886 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.225 0.498 -42.747 1.00 0.00 N ATOM 0 H GLN A 51 2.733 -4.005 -43.729 1.00 0.00 H new ATOM 0 HA GLN A 51 3.433 -1.739 -42.106 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.466 -2.513 -44.960 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.200 -0.811 -44.635 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.391 -2.058 -43.104 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.630 -1.982 -44.838 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.958 -0.064 -41.939 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.354 1.505 -42.647 1.00 0.00 H new ATOM 815 N LEU A 52 1.448 -0.330 -42.366 1.00 0.00 N ATOM 816 CA LEU A 52 0.226 0.407 -42.201 1.00 0.00 C ATOM 817 C LEU A 52 0.224 1.629 -43.061 1.00 0.00 C ATOM 818 O LEU A 52 -0.831 2.173 -43.368 1.00 0.00 O ATOM 819 CB LEU A 52 0.202 0.806 -40.738 1.00 0.00 C ATOM 820 CG LEU A 52 0.368 -0.394 -39.828 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.534 0.029 -38.415 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.798 -1.362 -39.997 1.00 0.00 C ATOM 0 H LEU A 52 2.253 0.106 -41.917 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.643 -0.185 -42.487 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.999 1.524 -40.543 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.740 1.306 -40.512 1.00 0.00 H new ATOM 0 HG LEU A 52 1.278 -0.922 -40.115 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.651 -0.851 -37.783 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.418 0.660 -38.326 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.345 0.589 -38.097 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.660 -2.217 -39.335 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.730 -0.856 -39.747 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.838 -1.706 -41.030 1.00 0.00 H new ATOM 834 N ASN A 53 1.417 2.002 -43.501 1.00 0.00 N ATOM 835 CA ASN A 53 1.715 3.308 -44.151 1.00 0.00 C ATOM 836 C ASN A 53 1.101 3.524 -45.522 1.00 0.00 C ATOM 837 O ASN A 53 1.785 3.794 -46.515 1.00 0.00 O ATOM 838 CB ASN A 53 3.213 3.622 -44.152 1.00 0.00 C ATOM 839 CG ASN A 53 3.850 3.502 -42.776 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.044 3.271 -42.649 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.057 3.576 -41.735 1.00 0.00 N ATOM 0 H ASN A 53 2.238 1.402 -43.422 1.00 0.00 H new ATOM 0 HA ASN A 53 1.205 4.030 -43.514 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.719 2.945 -44.840 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.366 4.633 -44.529 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.433 3.440 -40.797 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.064 3.770 -41.863 1.00 0.00 H new ATOM 848 N GLU A 54 -0.165 3.382 -45.538 1.00 0.00 N ATOM 849 CA GLU A 54 -1.021 3.672 -46.632 1.00 0.00 C ATOM 850 C GLU A 54 -1.798 4.923 -46.262 1.00 0.00 C ATOM 851 O GLU A 54 -1.985 5.834 -47.068 1.00 0.00 O ATOM 852 CB GLU A 54 -1.986 2.520 -46.817 1.00 0.00 C ATOM 853 CG GLU A 54 -1.289 1.227 -47.104 1.00 0.00 C ATOM 854 CD GLU A 54 -0.641 1.200 -48.461 1.00 0.00 C ATOM 855 OE1 GLU A 54 -1.357 1.186 -49.478 1.00 0.00 O ATOM 856 OE2 GLU A 54 0.595 1.198 -48.536 1.00 0.00 O ATOM 0 H GLU A 54 -0.676 3.033 -44.727 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.457 3.818 -47.553 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.592 2.410 -45.918 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.669 2.750 -47.635 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.530 1.052 -46.341 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.007 0.410 -47.033 1.00 0.00 H new ATOM 863 N ASN A 55 -2.186 4.959 -44.985 1.00 0.00 N ATOM 864 CA ASN A 55 -2.965 6.043 -44.369 1.00 0.00 C ATOM 865 C ASN A 55 -3.170 5.688 -42.901 1.00 0.00 C ATOM 866 O ASN A 55 -3.276 6.555 -42.040 1.00 0.00 O ATOM 867 CB ASN A 55 -4.342 6.244 -45.067 1.00 0.00 C ATOM 868 CG ASN A 55 -5.542 5.552 -44.386 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.236 6.149 -43.572 1.00 0.00 O ATOM 870 ND2 ASN A 55 -5.795 4.314 -44.714 1.00 0.00 N ATOM 0 H ASN A 55 -1.961 4.212 -44.328 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.420 6.981 -44.476 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.547 7.313 -45.125 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.267 5.877 -46.091 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.583 3.825 -44.290 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.204 3.836 -45.394 1.00 0.00 H new ATOM 877 N SER A 56 -3.251 4.391 -42.643 1.00 0.00 N ATOM 878 CA SER A 56 -3.389 3.881 -41.318 1.00 0.00 C ATOM 879 C SER A 56 -2.040 3.744 -40.623 1.00 0.00 C ATOM 880 O SER A 56 -0.987 3.762 -41.259 1.00 0.00 O ATOM 881 CB SER A 56 -4.096 2.538 -41.374 1.00 0.00 C ATOM 882 OG SER A 56 -5.290 2.632 -42.137 1.00 0.00 O ATOM 0 H SER A 56 -3.221 3.670 -43.364 1.00 0.00 H new ATOM 0 HA SER A 56 -3.980 4.587 -40.735 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.435 1.791 -41.814 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.329 2.202 -40.364 1.00 0.00 H new ATOM 0 HG SER A 56 -5.310 1.913 -42.802 1.00 0.00 H new ATOM 888 N PHE A 57 -2.088 3.685 -39.324 1.00 0.00 N ATOM 889 CA PHE A 57 -0.945 3.464 -38.477 1.00 0.00 C ATOM 890 C PHE A 57 -1.464 2.745 -37.251 1.00 0.00 C ATOM 891 O PHE A 57 -2.672 2.679 -37.070 1.00 0.00 O ATOM 892 CB PHE A 57 -0.299 4.782 -38.044 1.00 0.00 C ATOM 893 CG PHE A 57 0.098 5.712 -39.161 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.342 5.612 -39.746 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.788 6.670 -39.635 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.703 6.449 -40.786 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.432 7.510 -40.672 1.00 0.00 C ATOM 898 CZ PHE A 57 0.815 7.396 -41.250 1.00 0.00 C ATOM 0 H PHE A 57 -2.958 3.793 -38.802 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.187 2.892 -39.012 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.993 5.307 -37.388 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.588 4.554 -37.453 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.042 4.872 -39.388 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.767 6.759 -39.188 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.681 6.361 -41.235 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.128 8.254 -41.029 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.095 8.047 -42.065 1.00 0.00 H new ATOM 908 N ALA A 58 -0.597 2.231 -36.419 1.00 0.00 N ATOM 909 CA ALA A 58 -1.034 1.508 -35.235 1.00 0.00 C ATOM 910 C ALA A 58 -0.380 2.074 -34.031 1.00 0.00 C ATOM 911 O ALA A 58 0.566 2.833 -34.148 1.00 0.00 O ATOM 912 CB ALA A 58 -0.725 0.023 -35.328 1.00 0.00 C ATOM 0 H ALA A 58 0.415 2.295 -36.531 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.116 1.621 -35.163 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.068 -0.477 -34.423 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.235 -0.401 -36.193 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.350 -0.119 -35.435 1.00 0.00 H new ATOM 918 N ILE A 59 -0.878 1.725 -32.892 1.00 0.00 N ATOM 919 CA ILE A 59 -0.319 2.156 -31.663 1.00 0.00 C ATOM 920 C ILE A 59 -0.561 1.115 -30.578 1.00 0.00 C ATOM 921 O ILE A 59 -1.634 0.517 -30.500 1.00 0.00 O ATOM 922 CB ILE A 59 -0.866 3.542 -31.246 1.00 0.00 C ATOM 923 CG1 ILE A 59 -0.176 4.007 -29.979 1.00 0.00 C ATOM 924 CG2 ILE A 59 -2.383 3.499 -31.056 1.00 0.00 C ATOM 925 CD1 ILE A 59 -0.356 5.457 -29.697 1.00 0.00 C ATOM 0 H ILE A 59 -1.696 1.124 -32.792 1.00 0.00 H new ATOM 0 HA ILE A 59 0.757 2.265 -31.799 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.655 4.254 -32.043 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.558 3.432 -29.136 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.890 3.790 -30.056 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.741 4.486 -30.763 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.859 3.203 -31.991 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.632 2.777 -30.278 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.165 5.716 -28.776 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.052 6.041 -30.522 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.418 5.677 -29.587 1.00 0.00 H new ATOM 937 N THR A 60 0.430 0.916 -29.751 1.00 0.00 N ATOM 938 CA THR A 60 0.383 -0.067 -28.693 1.00 0.00 C ATOM 939 C THR A 60 -0.091 0.579 -27.365 1.00 0.00 C ATOM 940 O THR A 60 0.245 0.123 -26.276 1.00 0.00 O ATOM 941 CB THR A 60 1.792 -0.721 -28.513 1.00 0.00 C ATOM 942 OG1 THR A 60 1.728 -1.778 -27.541 1.00 0.00 O ATOM 943 CG2 THR A 60 2.830 0.307 -28.063 1.00 0.00 C ATOM 0 H THR A 60 1.306 1.437 -29.791 1.00 0.00 H new ATOM 0 HA THR A 60 -0.334 -0.842 -28.966 1.00 0.00 H new ATOM 0 HB THR A 60 2.093 -1.123 -29.480 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.615 -2.181 -27.437 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.798 -0.180 -27.947 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.908 1.096 -28.811 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.525 0.739 -27.110 1.00 0.00 H new ATOM 951 N THR A 61 -0.931 1.566 -27.472 1.00 0.00 N ATOM 952 CA THR A 61 -1.379 2.302 -26.320 1.00 0.00 C ATOM 953 C THR A 61 -2.485 1.525 -25.580 1.00 0.00 C ATOM 954 O THR A 61 -3.052 0.571 -26.107 1.00 0.00 O ATOM 955 CB THR A 61 -1.910 3.698 -26.731 1.00 0.00 C ATOM 956 OG1 THR A 61 -2.087 4.504 -25.573 1.00 0.00 O ATOM 957 CG2 THR A 61 -3.248 3.572 -27.462 1.00 0.00 C ATOM 0 H THR A 61 -1.326 1.885 -28.357 1.00 0.00 H new ATOM 0 HA THR A 61 -0.527 2.432 -25.653 1.00 0.00 H new ATOM 0 HB THR A 61 -1.182 4.160 -27.398 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.855 5.433 -25.782 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.604 4.563 -27.742 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.117 2.966 -28.359 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.977 3.096 -26.806 1.00 0.00 H new ATOM 965 N SER A 62 -2.767 1.928 -24.376 1.00 0.00 N ATOM 966 CA SER A 62 -3.784 1.318 -23.587 1.00 0.00 C ATOM 967 C SER A 62 -4.966 2.261 -23.404 1.00 0.00 C ATOM 968 O SER A 62 -6.021 1.849 -22.881 1.00 0.00 O ATOM 969 CB SER A 62 -3.204 0.887 -22.245 1.00 0.00 C ATOM 970 OG SER A 62 -4.188 0.320 -21.379 1.00 0.00 O ATOM 0 H SER A 62 -2.288 2.700 -23.913 1.00 0.00 H new ATOM 0 HA SER A 62 -4.153 0.432 -24.104 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.410 0.159 -22.413 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.748 1.748 -21.757 1.00 0.00 H new ATOM 0 HG SER A 62 -5.081 0.598 -21.672 1.00 0.00 H new ATOM 976 N LEU A 63 -4.799 3.509 -23.827 1.00 0.00 N ATOM 977 CA LEU A 63 -5.864 4.487 -23.736 1.00 0.00 C ATOM 978 C LEU A 63 -6.981 4.183 -24.708 1.00 0.00 C ATOM 979 O LEU A 63 -6.922 3.209 -25.472 1.00 0.00 O ATOM 980 CB LEU A 63 -5.344 5.948 -23.828 1.00 0.00 C ATOM 981 CG LEU A 63 -4.374 6.294 -24.946 1.00 0.00 C ATOM 982 CD1 LEU A 63 -5.051 6.480 -26.266 1.00 0.00 C ATOM 983 CD2 LEU A 63 -3.508 7.484 -24.581 1.00 0.00 C ATOM 0 H LEU A 63 -3.934 3.862 -24.236 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.295 4.403 -22.739 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.209 6.604 -23.922 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.862 6.190 -22.881 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.717 5.432 -25.064 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.308 6.725 -27.025 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.564 5.560 -26.545 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.775 7.291 -26.192 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.826 7.704 -25.403 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.141 8.351 -24.393 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.933 7.254 -23.684 1.00 0.00 H new ATOM 995 N ALA A 64 -7.970 4.995 -24.712 1.00 0.00 N ATOM 996 CA ALA A 64 -9.134 4.675 -25.468 1.00 0.00 C ATOM 997 C ALA A 64 -9.129 5.359 -26.815 1.00 0.00 C ATOM 998 O ALA A 64 -8.312 6.237 -27.054 1.00 0.00 O ATOM 999 CB ALA A 64 -10.399 4.955 -24.672 1.00 0.00 C ATOM 0 H ALA A 64 -8.004 5.881 -24.207 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.120 3.604 -25.670 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.271 4.701 -25.274 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.398 4.353 -23.763 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.436 6.012 -24.407 1.00 0.00 H new ATOM 1005 N ALA A 65 -10.055 4.985 -27.677 1.00 0.00 N ATOM 1006 CA ALA A 65 -10.134 5.519 -29.020 1.00 0.00 C ATOM 1007 C ALA A 65 -10.375 7.017 -28.987 1.00 0.00 C ATOM 1008 O ALA A 65 -9.733 7.788 -29.713 1.00 0.00 O ATOM 1009 CB ALA A 65 -11.222 4.804 -29.794 1.00 0.00 C ATOM 0 H ALA A 65 -10.777 4.298 -27.462 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.184 5.350 -29.527 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.277 5.210 -30.804 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.994 3.739 -29.843 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.179 4.947 -29.293 1.00 0.00 H new ATOM 1015 N SER A 66 -11.233 7.415 -28.079 1.00 0.00 N ATOM 1016 CA SER A 66 -11.593 8.794 -27.866 1.00 0.00 C ATOM 1017 C SER A 66 -10.383 9.588 -27.326 1.00 0.00 C ATOM 1018 O SER A 66 -10.297 10.812 -27.482 1.00 0.00 O ATOM 1019 CB SER A 66 -12.730 8.815 -26.852 1.00 0.00 C ATOM 1020 OG SER A 66 -13.735 7.868 -27.221 1.00 0.00 O ATOM 0 H SER A 66 -11.713 6.770 -27.451 1.00 0.00 H new ATOM 0 HA SER A 66 -11.903 9.257 -28.803 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.346 8.581 -25.859 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.163 9.814 -26.800 1.00 0.00 H new ATOM 0 HG SER A 66 -14.461 7.888 -26.563 1.00 0.00 H new ATOM 1026 N GLU A 67 -9.431 8.867 -26.759 1.00 0.00 N ATOM 1027 CA GLU A 67 -8.274 9.460 -26.149 1.00 0.00 C ATOM 1028 C GLU A 67 -7.222 9.681 -27.207 1.00 0.00 C ATOM 1029 O GLU A 67 -6.618 10.746 -27.259 1.00 0.00 O ATOM 1030 CB GLU A 67 -7.713 8.537 -25.069 1.00 0.00 C ATOM 1031 CG GLU A 67 -8.671 8.193 -23.954 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.996 9.353 -23.086 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.257 9.594 -22.113 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -9.992 10.027 -23.335 1.00 0.00 O ATOM 0 H GLU A 67 -9.448 7.848 -26.713 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.556 10.409 -25.692 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.383 7.612 -25.541 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.830 9.007 -24.635 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.592 7.799 -24.383 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.239 7.400 -23.344 1.00 0.00 H new ATOM 1041 N ILE A 68 -7.019 8.658 -28.070 1.00 0.00 N ATOM 1042 CA ILE A 68 -6.002 8.724 -29.133 1.00 0.00 C ATOM 1043 C ILE A 68 -6.208 9.948 -29.993 1.00 0.00 C ATOM 1044 O ILE A 68 -5.256 10.653 -30.294 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.981 7.501 -30.086 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -6.349 6.216 -29.361 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -4.604 7.382 -30.715 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -6.021 4.940 -30.083 1.00 0.00 C ATOM 0 H ILE A 68 -7.545 7.784 -28.047 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.055 8.751 -28.595 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.729 7.656 -30.864 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.840 6.207 -28.397 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.420 6.231 -29.156 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.584 6.523 -31.386 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.382 8.288 -31.278 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.857 7.249 -29.933 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.326 4.089 -29.474 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.551 4.914 -31.035 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.947 4.890 -30.264 1.00 0.00 H new ATOM 1060 N GLU A 69 -7.459 10.199 -30.375 1.00 0.00 N ATOM 1061 CA GLU A 69 -7.790 11.362 -31.183 1.00 0.00 C ATOM 1062 C GLU A 69 -7.280 12.619 -30.544 1.00 0.00 C ATOM 1063 O GLU A 69 -6.476 13.333 -31.128 1.00 0.00 O ATOM 1064 CB GLU A 69 -9.288 11.514 -31.370 1.00 0.00 C ATOM 1065 CG GLU A 69 -9.934 10.478 -32.228 1.00 0.00 C ATOM 1066 CD GLU A 69 -11.417 10.699 -32.317 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -12.153 10.262 -31.417 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.878 11.348 -33.272 1.00 0.00 O ATOM 0 H GLU A 69 -8.257 9.610 -30.136 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.316 11.205 -32.152 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.763 11.497 -30.389 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.485 12.495 -31.803 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.498 10.505 -33.227 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.734 9.487 -31.820 1.00 0.00 H new ATOM 1075 N ASP A 70 -7.699 12.840 -29.315 1.00 0.00 N ATOM 1076 CA ASP A 70 -7.386 14.064 -28.598 1.00 0.00 C ATOM 1077 C ASP A 70 -5.898 14.200 -28.402 1.00 0.00 C ATOM 1078 O ASP A 70 -5.344 15.286 -28.550 1.00 0.00 O ATOM 1079 CB ASP A 70 -8.114 14.111 -27.262 1.00 0.00 C ATOM 1080 CG ASP A 70 -8.047 15.474 -26.624 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -8.688 16.415 -27.153 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -7.377 15.643 -25.601 1.00 0.00 O ATOM 0 H ASP A 70 -8.265 12.179 -28.784 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.729 14.907 -29.198 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.157 13.832 -27.409 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.679 13.374 -26.587 1.00 0.00 H new ATOM 1087 N LEU A 71 -5.265 13.066 -28.153 1.00 0.00 N ATOM 1088 CA LEU A 71 -3.836 12.953 -27.964 1.00 0.00 C ATOM 1089 C LEU A 71 -3.121 13.540 -29.186 1.00 0.00 C ATOM 1090 O LEU A 71 -2.252 14.382 -29.067 1.00 0.00 O ATOM 1091 CB LEU A 71 -3.489 11.469 -27.847 1.00 0.00 C ATOM 1092 CG LEU A 71 -2.206 11.114 -27.124 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.339 11.423 -25.636 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -1.869 9.649 -27.345 1.00 0.00 C ATOM 0 H LEU A 71 -5.751 12.172 -28.075 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.526 13.490 -27.067 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.313 10.968 -27.339 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.436 11.054 -28.853 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.392 11.717 -27.527 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.411 11.164 -25.126 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.542 12.485 -25.502 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.159 10.841 -25.215 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.945 9.405 -26.821 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.678 9.028 -26.962 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.741 9.462 -28.411 1.00 0.00 H new ATOM 1106 N ILE A 72 -3.558 13.125 -30.354 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.988 13.568 -31.621 1.00 0.00 C ATOM 1108 C ILE A 72 -3.328 15.035 -31.881 1.00 0.00 C ATOM 1109 O ILE A 72 -2.454 15.832 -32.239 1.00 0.00 O ATOM 1110 CB ILE A 72 -3.554 12.691 -32.763 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -3.124 11.241 -32.569 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -3.121 13.200 -34.134 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -4.035 10.260 -33.237 1.00 0.00 C ATOM 0 H ILE A 72 -4.327 12.463 -30.459 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.903 13.469 -31.577 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.642 12.750 -32.724 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.114 11.113 -32.960 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.083 11.021 -31.502 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.539 12.558 -34.909 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.481 14.219 -34.274 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.033 13.188 -34.200 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.672 9.248 -33.060 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.041 10.361 -32.829 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.057 10.455 -34.309 1.00 0.00 H new ATOM 1125 N ARG A 73 -4.581 15.393 -31.653 1.00 0.00 N ATOM 1126 CA ARG A 73 -5.064 16.742 -31.932 1.00 0.00 C ATOM 1127 C ARG A 73 -4.343 17.794 -31.066 1.00 0.00 C ATOM 1128 O ARG A 73 -4.173 18.940 -31.485 1.00 0.00 O ATOM 1129 CB ARG A 73 -6.587 16.837 -31.743 1.00 0.00 C ATOM 1130 CG ARG A 73 -7.387 15.771 -32.504 1.00 0.00 C ATOM 1131 CD ARG A 73 -8.892 15.937 -32.327 1.00 0.00 C ATOM 1132 NE ARG A 73 -9.271 15.986 -30.896 1.00 0.00 N ATOM 1133 CZ ARG A 73 -10.293 15.338 -30.312 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -11.113 14.581 -31.026 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -10.481 15.456 -29.002 1.00 0.00 N ATOM 0 H ARG A 73 -5.289 14.765 -31.273 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.835 16.956 -32.976 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.815 16.755 -30.680 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.920 17.823 -32.066 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.141 15.824 -33.564 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.090 14.781 -32.157 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.218 16.852 -32.822 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.409 15.110 -32.813 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.696 16.573 -30.291 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.972 14.485 -32.032 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.885 14.095 -30.570 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.852 16.036 -28.447 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.255 14.967 -28.552 1.00 0.00 H new ATOM 1149 N LEU A 74 -3.886 17.404 -29.883 1.00 0.00 N ATOM 1150 CA LEU A 74 -3.178 18.339 -29.019 1.00 0.00 C ATOM 1151 C LEU A 74 -1.665 18.382 -29.344 1.00 0.00 C ATOM 1152 O LEU A 74 -0.939 19.245 -28.857 1.00 0.00 O ATOM 1153 CB LEU A 74 -3.477 18.069 -27.518 1.00 0.00 C ATOM 1154 CG LEU A 74 -2.937 16.776 -26.893 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -1.536 16.974 -26.357 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.857 16.276 -25.798 1.00 0.00 C ATOM 0 H LEU A 74 -3.990 16.463 -29.504 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.558 19.340 -29.226 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.082 18.907 -26.944 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.559 18.075 -27.388 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.898 16.021 -27.678 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.179 16.042 -25.920 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.874 17.271 -27.170 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.545 17.752 -25.594 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.451 15.359 -25.372 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.939 17.033 -25.018 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.844 16.076 -26.215 1.00 0.00 H new ATOM 1168 N LYS A 75 -1.190 17.459 -30.186 1.00 0.00 N ATOM 1169 CA LYS A 75 0.216 17.490 -30.634 1.00 0.00 C ATOM 1170 C LYS A 75 0.350 18.306 -31.920 1.00 0.00 C ATOM 1171 O LYS A 75 1.440 18.517 -32.450 1.00 0.00 O ATOM 1172 CB LYS A 75 0.864 16.089 -30.795 1.00 0.00 C ATOM 1173 CG LYS A 75 1.536 15.526 -29.523 1.00 0.00 C ATOM 1174 CD LYS A 75 0.546 15.095 -28.468 1.00 0.00 C ATOM 1175 CE LYS A 75 1.213 14.741 -27.135 1.00 0.00 C ATOM 1176 NZ LYS A 75 2.259 13.706 -27.266 1.00 0.00 N ATOM 0 H LYS A 75 -1.743 16.692 -30.569 1.00 0.00 H new ATOM 0 HA LYS A 75 0.774 17.976 -29.834 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.097 15.387 -31.123 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.610 16.140 -31.588 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.160 14.675 -29.796 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.197 16.284 -29.103 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.176 15.895 -28.306 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.011 14.231 -28.831 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.653 15.641 -26.706 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.452 14.393 -26.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.637 13.473 -26.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.850 12.852 -27.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.027 14.063 -27.869 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.773 18.825 -32.355 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.908 19.647 -33.557 1.00 0.00 C ATOM 1192 C CYS A 76 -0.268 21.038 -33.362 1.00 0.00 C ATOM 1193 O CYS A 76 -0.243 21.862 -34.274 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.401 19.775 -33.862 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.877 20.766 -35.292 1.00 0.00 S ATOM 0 H CYS A 76 -1.659 18.687 -31.869 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.386 19.177 -34.390 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.803 18.771 -33.999 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.889 20.197 -32.983 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.988 21.693 -35.493 1.00 0.00 H new ATOM 1201 N LEU A 77 0.265 21.279 -32.179 1.00 0.00 N ATOM 1202 CA LEU A 77 0.918 22.537 -31.862 1.00 0.00 C ATOM 1203 C LEU A 77 2.282 22.614 -32.562 1.00 0.00 C ATOM 1204 O LEU A 77 2.853 23.696 -32.733 1.00 0.00 O ATOM 1205 CB LEU A 77 1.096 22.668 -30.343 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.177 22.521 -29.494 1.00 0.00 C ATOM 1207 CD1 LEU A 77 0.142 22.675 -28.018 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.240 23.526 -29.918 1.00 0.00 C ATOM 0 H LEU A 77 0.258 20.609 -31.410 1.00 0.00 H new ATOM 0 HA LEU A 77 0.295 23.358 -32.216 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.814 21.916 -30.016 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.537 23.642 -30.133 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.575 21.520 -29.660 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.773 22.568 -27.435 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.856 21.908 -27.718 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.572 23.660 -27.840 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.129 23.398 -29.300 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.854 24.538 -29.794 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.499 23.362 -30.964 1.00 0.00 H new ATOM 1220 N ASP A 78 2.784 21.460 -32.968 1.00 0.00 N ATOM 1221 CA ASP A 78 4.069 21.360 -33.663 1.00 0.00 C ATOM 1222 C ASP A 78 3.902 21.820 -35.080 1.00 0.00 C ATOM 1223 O ASP A 78 4.671 22.646 -35.603 1.00 0.00 O ATOM 1224 CB ASP A 78 4.521 19.907 -33.704 1.00 0.00 C ATOM 1225 CG ASP A 78 5.953 19.738 -34.230 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.907 19.765 -33.411 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.152 19.561 -35.456 1.00 0.00 O ATOM 0 H ASP A 78 2.318 20.564 -32.828 1.00 0.00 H new ATOM 0 HA ASP A 78 4.801 21.973 -33.137 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.456 19.484 -32.702 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.839 19.338 -34.335 1.00 0.00 H new ATOM 1232 N LEU A 79 2.871 21.307 -35.684 1.00 0.00 N ATOM 1233 CA LEU A 79 2.599 21.552 -37.076 1.00 0.00 C ATOM 1234 C LEU A 79 1.873 22.898 -37.267 1.00 0.00 C ATOM 1235 O LEU A 79 1.265 23.404 -36.329 1.00 0.00 O ATOM 1236 CB LEU A 79 1.797 20.354 -37.634 1.00 0.00 C ATOM 1237 CG LEU A 79 0.404 20.116 -37.057 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -0.621 21.004 -37.719 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.018 18.659 -37.143 1.00 0.00 C ATOM 0 H LEU A 79 2.189 20.703 -35.225 1.00 0.00 H new ATOM 0 HA LEU A 79 3.530 21.636 -37.637 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.698 20.487 -38.711 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.386 19.451 -37.477 1.00 0.00 H new ATOM 0 HG LEU A 79 0.431 20.383 -36.001 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.603 20.811 -37.287 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.354 22.049 -37.561 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.648 20.794 -38.788 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.979 18.521 -36.724 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.020 18.343 -38.186 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.734 18.059 -36.581 1.00 0.00 H new ATOM 1251 N PRO A 80 1.979 23.501 -38.466 1.00 0.00 N ATOM 1252 CA PRO A 80 1.278 24.750 -38.808 1.00 0.00 C ATOM 1253 C PRO A 80 -0.253 24.638 -38.627 1.00 0.00 C ATOM 1254 O PRO A 80 -0.820 25.192 -37.667 1.00 0.00 O ATOM 1255 CB PRO A 80 1.635 25.000 -40.286 1.00 0.00 C ATOM 1256 CG PRO A 80 2.405 23.796 -40.749 1.00 0.00 C ATOM 1257 CD PRO A 80 2.854 23.045 -39.543 1.00 0.00 C ATOM 0 HA PRO A 80 1.582 25.566 -38.152 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.735 25.138 -40.884 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.231 25.906 -40.393 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.781 23.164 -41.381 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.262 24.100 -41.350 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.767 21.969 -39.693 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.900 23.252 -39.316 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.904 23.915 -39.531 1.00 0.00 N ATOM 1266 CA ASP A 81 -2.338 23.634 -39.454 1.00 0.00 C ATOM 1267 C ASP A 81 -2.668 22.578 -40.478 1.00 0.00 C ATOM 1268 O ASP A 81 -2.104 22.585 -41.577 1.00 0.00 O ATOM 1269 CB ASP A 81 -3.239 24.887 -39.685 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.286 25.390 -41.126 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.158 24.930 -41.908 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -2.479 26.274 -41.494 1.00 0.00 O ATOM 0 H ASP A 81 -0.450 23.503 -40.346 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.550 23.295 -38.440 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.254 24.650 -39.365 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.883 25.695 -39.045 1.00 0.00 H new ATOM 1277 N ILE A 82 -3.521 21.660 -40.112 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.959 20.616 -40.990 1.00 0.00 C ATOM 1279 C ILE A 82 -5.345 20.157 -40.602 1.00 0.00 C ATOM 1280 O ILE A 82 -5.597 19.759 -39.462 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.973 19.399 -41.089 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.573 18.268 -41.943 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.563 18.891 -39.720 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.638 17.099 -42.158 1.00 0.00 C ATOM 0 H ILE A 82 -3.936 21.618 -39.181 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.979 21.050 -41.989 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.070 19.755 -41.585 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.484 17.909 -41.464 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.862 18.673 -42.913 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.881 18.049 -39.834 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.065 19.689 -39.170 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.448 18.569 -39.171 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.134 16.344 -42.769 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.737 17.442 -42.666 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.369 16.666 -41.194 1.00 0.00 H new ATOM 1296 N ASP A 83 -6.236 20.290 -41.524 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.584 19.829 -41.361 1.00 0.00 C ATOM 1298 C ASP A 83 -7.626 18.374 -41.776 1.00 0.00 C ATOM 1299 O ASP A 83 -7.709 18.059 -42.968 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.531 20.658 -42.225 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.985 20.340 -41.989 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.532 19.428 -42.633 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.620 21.030 -41.169 1.00 0.00 O ATOM 0 H ASP A 83 -6.052 20.727 -42.427 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.902 19.934 -40.324 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.361 21.716 -42.026 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.295 20.489 -43.276 1.00 0.00 H new ATOM 1308 N PHE A 84 -7.465 17.503 -40.819 1.00 0.00 N ATOM 1309 CA PHE A 84 -7.435 16.085 -41.085 1.00 0.00 C ATOM 1310 C PHE A 84 -8.563 15.398 -40.376 1.00 0.00 C ATOM 1311 O PHE A 84 -9.090 15.908 -39.380 1.00 0.00 O ATOM 1312 CB PHE A 84 -6.087 15.452 -40.648 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.780 15.555 -39.162 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -5.123 16.653 -38.663 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -6.148 14.546 -38.279 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -4.832 16.762 -37.317 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -5.861 14.648 -36.928 1.00 0.00 C ATOM 1318 CZ PHE A 84 -5.202 15.758 -36.449 1.00 0.00 C ATOM 0 H PHE A 84 -7.351 17.751 -39.836 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.544 15.951 -42.161 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -6.088 14.399 -40.931 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.281 15.931 -41.204 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.829 17.446 -39.335 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.663 13.673 -38.651 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.315 17.634 -36.945 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.153 13.859 -36.252 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.976 15.841 -35.396 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.929 14.274 -40.874 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.935 13.442 -40.267 1.00 0.00 C ATOM 1330 C ASP A 85 -9.304 12.119 -39.959 1.00 0.00 C ATOM 1331 O ASP A 85 -8.800 11.462 -40.859 1.00 0.00 O ATOM 1332 CB ASP A 85 -11.121 13.248 -41.220 1.00 0.00 C ATOM 1333 CG ASP A 85 -12.161 12.278 -40.685 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.881 12.625 -39.743 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.295 11.159 -41.227 1.00 0.00 O ATOM 0 H ASP A 85 -8.537 13.887 -41.733 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.312 13.911 -39.358 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.593 14.213 -41.404 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.753 12.885 -42.180 1.00 0.00 H new ATOM 1340 N LEU A 86 -9.236 11.753 -38.709 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.672 10.471 -38.389 1.00 0.00 C ATOM 1342 C LEU A 86 -9.777 9.569 -37.908 1.00 0.00 C ATOM 1343 O LEU A 86 -10.809 10.040 -37.409 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.581 10.538 -37.302 1.00 0.00 C ATOM 1345 CG LEU A 86 -8.078 10.680 -35.853 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.995 10.357 -34.879 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -8.632 12.059 -35.565 1.00 0.00 C ATOM 0 H LEU A 86 -9.555 12.307 -37.914 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.199 10.091 -39.294 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.973 9.636 -37.370 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.926 11.381 -37.524 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.891 9.963 -35.735 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.375 10.466 -33.863 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.661 9.331 -35.033 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.157 11.038 -35.028 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.969 12.107 -34.530 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.854 12.805 -35.728 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.472 12.260 -36.230 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.594 8.318 -38.065 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.524 7.362 -37.585 1.00 0.00 C ATOM 1361 C ASN A 87 -9.795 6.337 -36.745 1.00 0.00 C ATOM 1362 O ASN A 87 -8.927 5.625 -37.257 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.215 6.705 -38.772 1.00 0.00 C ATOM 1364 CG ASN A 87 -12.168 5.620 -38.374 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -13.333 5.869 -38.117 1.00 0.00 O ATOM 1366 ND2 ASN A 87 -11.683 4.418 -38.319 1.00 0.00 N ATOM 0 H ASN A 87 -8.784 7.917 -38.537 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.280 7.842 -36.963 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.755 7.465 -39.336 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.460 6.290 -39.439 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.283 3.638 -38.053 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.701 4.253 -38.542 1.00 0.00 H new ATOM 1373 N ILE A 88 -10.096 6.299 -35.462 1.00 0.00 N ATOM 1374 CA ILE A 88 -9.501 5.319 -34.581 1.00 0.00 C ATOM 1375 C ILE A 88 -10.300 4.034 -34.615 1.00 0.00 C ATOM 1376 O ILE A 88 -11.543 4.040 -34.549 1.00 0.00 O ATOM 1377 CB ILE A 88 -9.398 5.794 -33.104 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -8.562 7.068 -32.988 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.768 4.690 -32.259 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -7.133 6.887 -33.427 1.00 0.00 C ATOM 0 H ILE A 88 -10.750 6.937 -35.008 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.487 5.163 -34.950 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.403 6.013 -32.744 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.023 7.852 -33.589 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.576 7.410 -31.953 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.695 5.021 -31.223 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.387 3.794 -32.311 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.771 4.465 -32.639 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.597 7.830 -33.319 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.656 6.126 -32.810 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -7.110 6.574 -34.471 1.00 0.00 H new ATOM 1392 N MET A 89 -9.602 2.959 -34.730 1.00 0.00 N ATOM 1393 CA MET A 89 -10.168 1.662 -34.699 1.00 0.00 C ATOM 1394 C MET A 89 -9.172 0.766 -33.998 1.00 0.00 C ATOM 1395 O MET A 89 -8.029 1.123 -33.844 1.00 0.00 O ATOM 1396 CB MET A 89 -10.450 1.144 -36.134 1.00 0.00 C ATOM 1397 CG MET A 89 -9.202 0.754 -36.924 1.00 0.00 C ATOM 1398 SD MET A 89 -9.541 0.279 -38.635 1.00 0.00 S ATOM 1399 CE MET A 89 -9.878 1.849 -39.409 1.00 0.00 C ATOM 0 H MET A 89 -8.589 2.961 -34.852 1.00 0.00 H new ATOM 0 HA MET A 89 -11.123 1.673 -34.173 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.110 0.279 -36.071 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.988 1.915 -36.686 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.505 1.592 -36.921 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.707 -0.075 -36.418 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.549 1.820 -40.448 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.949 2.050 -39.372 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.342 2.638 -38.881 1.00 0.00 H new ATOM 1409 N THR A 90 -9.609 -0.307 -33.500 1.00 0.00 N ATOM 1410 CA THR A 90 -8.760 -1.309 -32.973 1.00 0.00 C ATOM 1411 C THR A 90 -8.083 -2.073 -34.118 1.00 0.00 C ATOM 1412 O THR A 90 -8.644 -2.179 -35.197 1.00 0.00 O ATOM 1413 CB THR A 90 -9.650 -2.228 -32.153 1.00 0.00 C ATOM 1414 OG1 THR A 90 -11.017 -1.955 -32.545 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.515 -1.911 -30.704 1.00 0.00 C ATOM 0 H THR A 90 -10.602 -0.534 -33.439 1.00 0.00 H new ATOM 0 HA THR A 90 -7.966 -0.888 -32.355 1.00 0.00 H new ATOM 0 HB THR A 90 -9.373 -3.269 -32.321 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.474 -2.798 -32.747 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.157 -2.575 -30.125 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.478 -2.049 -30.396 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.811 -0.877 -30.529 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.870 -2.550 -33.885 1.00 0.00 N ATOM 1424 CA VAL A 91 -6.120 -3.370 -34.862 1.00 0.00 C ATOM 1425 C VAL A 91 -6.972 -4.562 -35.319 1.00 0.00 C ATOM 1426 O VAL A 91 -7.013 -4.895 -36.510 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.806 -3.885 -34.224 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -4.106 -4.919 -35.095 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.862 -2.749 -33.959 1.00 0.00 C ATOM 0 H VAL A 91 -6.364 -2.386 -33.014 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.882 -2.750 -35.727 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.086 -4.362 -33.285 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.190 -5.249 -34.604 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.765 -5.774 -35.246 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.861 -4.476 -36.060 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.946 -3.134 -33.511 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.624 -2.247 -34.897 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.329 -2.039 -33.276 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.664 -5.163 -34.360 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.606 -6.269 -34.605 1.00 0.00 C ATOM 1441 C ASP A 92 -9.640 -5.840 -35.634 1.00 0.00 C ATOM 1442 O ASP A 92 -9.913 -6.541 -36.597 1.00 0.00 O ATOM 1443 CB ASP A 92 -9.320 -6.616 -33.290 1.00 0.00 C ATOM 1444 CG ASP A 92 -10.378 -7.711 -33.407 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -11.483 -7.451 -33.932 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.147 -8.837 -32.902 1.00 0.00 O ATOM 0 H ASP A 92 -7.593 -4.900 -33.377 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.062 -7.137 -34.977 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.574 -6.927 -32.559 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.792 -5.714 -32.900 1.00 0.00 H new ATOM 1451 N ASP A 93 -10.130 -4.628 -35.456 1.00 0.00 N ATOM 1452 CA ASP A 93 -11.173 -4.064 -36.302 1.00 0.00 C ATOM 1453 C ASP A 93 -10.621 -3.555 -37.603 1.00 0.00 C ATOM 1454 O ASP A 93 -11.359 -3.302 -38.554 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.971 -2.979 -35.573 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.945 -3.546 -34.575 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -12.569 -3.769 -33.421 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -14.123 -3.780 -34.937 1.00 0.00 O ATOM 0 H ASP A 93 -9.816 -4.000 -34.716 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.863 -4.874 -36.536 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.281 -2.309 -35.061 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.514 -2.380 -36.304 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.338 -3.431 -37.658 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.688 -3.013 -38.846 1.00 0.00 C ATOM 1465 C TYR A 94 -8.438 -4.187 -39.765 1.00 0.00 C ATOM 1466 O TYR A 94 -8.925 -4.223 -40.899 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.397 -2.287 -38.531 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.555 -1.943 -39.741 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.915 -0.910 -40.595 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.400 -2.657 -40.025 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.147 -0.598 -41.695 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.626 -2.352 -41.125 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.003 -1.322 -41.955 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.240 -1.019 -43.055 1.00 0.00 O ATOM 0 H TYR A 94 -8.711 -3.618 -36.875 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.347 -2.315 -39.363 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.634 -1.367 -37.997 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.804 -2.904 -37.856 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.811 -0.342 -40.394 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.102 -3.465 -39.374 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.439 0.209 -42.350 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.730 -2.918 -41.333 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.468 -1.622 -43.094 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.715 -5.158 -39.260 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.330 -6.334 -40.030 1.00 0.00 C ATOM 1486 C PHE A 95 -8.480 -7.253 -40.359 1.00 0.00 C ATOM 1487 O PHE A 95 -8.315 -8.222 -41.055 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.236 -7.108 -39.356 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.866 -6.506 -39.525 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.338 -6.291 -40.795 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.101 -6.162 -38.428 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.080 -5.740 -40.955 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.840 -5.614 -38.588 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.333 -5.403 -39.852 1.00 0.00 C ATOM 0 H PHE A 95 -7.372 -5.162 -38.300 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.960 -5.938 -40.976 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.460 -7.182 -38.292 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.227 -8.124 -39.752 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.918 -6.558 -41.666 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.491 -6.322 -37.434 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.685 -5.575 -41.946 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.252 -5.351 -37.721 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.350 -4.973 -39.975 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.600 -6.985 -39.796 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.811 -7.695 -40.150 1.00 0.00 C ATOM 1506 C ARG A 96 -11.408 -7.157 -41.463 1.00 0.00 C ATOM 1507 O ARG A 96 -12.248 -7.800 -42.080 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.821 -7.670 -38.990 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.383 -6.301 -38.605 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.606 -5.891 -39.419 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.690 -6.868 -39.286 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.846 -6.679 -38.630 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -16.082 -5.547 -37.954 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.759 -7.636 -38.648 1.00 0.00 N ATOM 0 H ARG A 96 -9.722 -6.272 -39.077 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.557 -8.740 -40.328 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.656 -8.321 -39.250 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.342 -8.102 -38.111 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.648 -6.311 -37.548 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.604 -5.549 -38.732 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.954 -4.912 -39.088 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.330 -5.793 -40.469 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.554 -7.775 -39.733 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.377 -4.810 -37.932 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.967 -5.422 -37.462 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.580 -8.502 -39.155 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.642 -7.507 -38.154 1.00 0.00 H new ATOM 1528 N GLN A 97 -10.982 -5.963 -41.872 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.469 -5.371 -43.120 1.00 0.00 C ATOM 1530 C GLN A 97 -10.568 -5.812 -44.240 1.00 0.00 C ATOM 1531 O GLN A 97 -11.004 -6.043 -45.361 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.424 -3.853 -43.053 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.157 -3.258 -41.886 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.935 -1.771 -41.789 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -12.683 -0.971 -42.335 1.00 0.00 O ATOM 1536 NE2 GLN A 97 -10.880 -1.409 -41.153 1.00 0.00 N ATOM 0 H GLN A 97 -10.308 -5.390 -41.365 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.498 -5.693 -43.282 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.382 -3.535 -43.012 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.844 -3.449 -43.974 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.223 -3.461 -41.984 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.825 -3.737 -40.965 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.284 -2.110 -40.712 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.638 -0.420 -41.088 1.00 0.00 H new