USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 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 -147:sc= -0.0285 USER MOD Set 1.2: A 87 ASN : amide:sc= -0.308 K(o=-2,f=-0.045) USER MOD Set 1.3: A 89 MET CE :methyl 146:sc= -0.207 (180deg=-0.214) USER MOD Set 1.4: A 97 GLN : amide:sc= -1.43! K(o=-2!,f=-0.045) USER MOD Set 2.1: A 55 ASN : amide:sc= -0.429 X(o=2.1,f=2.5) USER MOD Set 2.2: A 56 SER OG : rot -173:sc= 1.48 USER MOD Set 2.3: A 94 TYR OH : rot 180:sc= 1 USER MOD Set 3.1: A 34 TYR OH : rot 66:sc= 0.928 USER MOD Set 3.2: A 40 SER OG : rot -25:sc= 0.777 USER MOD Set 3.3: A 51 GLN : amide:sc= -0.17 K(o=-1.6,f=-2.3) USER MOD Set 3.4: A 53 ASN : amide:sc= -3.15 K(o=-1.6,f=-3.9!) USER MOD Set 4.1: A 10 ASN : amide:sc= -2.16! K(o=-2!,f=0.082) USER MOD Set 4.2: A 12 TYR OH : rot -132:sc= 0.17 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 18 TYR OH : rot 93:sc= 0.977 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00167 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.15 USER MOD Single : A 31 SER OG : rot 85:sc= 1.24 USER MOD Single : A 33 MET CE :methyl -170:sc= -1.57 (180deg=-1.86) USER MOD Single : A 36 MET CE :methyl 179:sc= -0.649 (180deg=-0.654) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 78:sc= 0.266 USER MOD Single : A 60 THR OG1 : rot 13:sc= 0.00592 USER MOD Single : A 61 THR OG1 : rot 169:sc= -1.25 USER MOD Single : A 62 SER OG : rot 180:sc=0.000659 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -24:sc= 0.0637 USER MOD Single : A 90 THR OG1 : rot 129:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -1.176 -1.940 -21.802 1.00 0.00 N ATOM 123 CA PHE A 9 -1.000 -1.138 -22.974 1.00 0.00 C ATOM 124 C PHE A 9 -1.852 -1.748 -24.046 1.00 0.00 C ATOM 125 O PHE A 9 -1.778 -2.949 -24.288 1.00 0.00 O ATOM 126 CB PHE A 9 0.474 -1.079 -23.397 1.00 0.00 C ATOM 127 CG PHE A 9 1.335 -0.213 -22.512 1.00 0.00 C ATOM 128 CD1 PHE A 9 1.684 -0.615 -21.230 1.00 0.00 C ATOM 129 CD2 PHE A 9 1.802 1.004 -22.977 1.00 0.00 C ATOM 130 CE1 PHE A 9 2.480 0.181 -20.432 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.597 1.805 -22.184 1.00 0.00 C ATOM 132 CZ PHE A 9 2.937 1.394 -20.910 1.00 0.00 C ATOM 0 HA PHE A 9 -1.299 -0.107 -22.783 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.880 -2.091 -23.403 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.533 -0.706 -24.420 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.328 -1.562 -20.853 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.541 1.330 -23.973 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.745 -0.143 -19.437 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.953 2.753 -22.559 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.559 2.020 -20.288 1.00 0.00 H new ATOM 142 N ASN A 10 -2.677 -0.959 -24.653 1.00 0.00 N ATOM 143 CA ASN A 10 -3.620 -1.478 -25.622 1.00 0.00 C ATOM 144 C ASN A 10 -2.968 -1.428 -26.975 1.00 0.00 C ATOM 145 O ASN A 10 -1.793 -1.087 -27.082 1.00 0.00 O ATOM 146 CB ASN A 10 -4.935 -0.657 -25.642 1.00 0.00 C ATOM 147 CG ASN A 10 -5.772 -0.674 -24.363 1.00 0.00 C ATOM 148 OD1 ASN A 10 -7.000 -0.632 -24.414 1.00 0.00 O ATOM 149 ND2 ASN A 10 -5.130 -0.668 -23.235 1.00 0.00 N ATOM 0 H ASN A 10 -2.727 0.049 -24.504 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.883 -2.501 -25.351 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.686 0.379 -25.873 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.554 -1.026 -26.460 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.645 -0.628 -22.355 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.111 -0.704 -23.228 1.00 0.00 H new ATOM 156 N THR A 11 -3.678 -1.766 -27.993 1.00 0.00 N ATOM 157 CA THR A 11 -3.124 -1.691 -29.292 1.00 0.00 C ATOM 158 C THR A 11 -4.168 -1.134 -30.280 1.00 0.00 C ATOM 159 O THR A 11 -5.265 -1.703 -30.498 1.00 0.00 O ATOM 160 CB THR A 11 -2.486 -3.055 -29.720 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.678 -2.896 -30.883 1.00 0.00 O ATOM 162 CG2 THR A 11 -3.528 -4.136 -29.966 1.00 0.00 C ATOM 0 H THR A 11 -4.642 -2.096 -27.949 1.00 0.00 H new ATOM 0 HA THR A 11 -2.294 -0.985 -29.297 1.00 0.00 H new ATOM 0 HB THR A 11 -1.864 -3.378 -28.885 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.288 -3.760 -31.131 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.031 -5.060 -30.260 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.099 -4.305 -29.053 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.202 -3.818 -30.761 1.00 0.00 H new ATOM 170 N TYR A 12 -3.854 0.005 -30.829 1.00 0.00 N ATOM 171 CA TYR A 12 -4.759 0.714 -31.678 1.00 0.00 C ATOM 172 C TYR A 12 -4.188 0.945 -33.037 1.00 0.00 C ATOM 173 O TYR A 12 -2.989 0.864 -33.240 1.00 0.00 O ATOM 174 CB TYR A 12 -5.108 2.059 -31.080 1.00 0.00 C ATOM 175 CG TYR A 12 -5.898 2.016 -29.806 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.282 1.868 -29.820 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.262 2.169 -28.588 1.00 0.00 C ATOM 178 CE1 TYR A 12 -8.001 1.871 -28.631 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.965 2.183 -27.412 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.328 2.036 -27.430 1.00 0.00 C ATOM 181 OH TYR A 12 -8.025 2.067 -26.241 1.00 0.00 O ATOM 0 H TYR A 12 -2.955 0.468 -30.697 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.650 0.092 -31.767 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.183 2.605 -30.895 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.673 2.629 -31.818 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.800 1.750 -30.760 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.188 2.280 -28.563 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.074 1.746 -28.642 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.447 2.310 -26.473 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.728 2.834 -25.708 1.00 0.00 H new ATOM 191 N VAL A 13 -5.064 1.240 -33.933 1.00 0.00 N ATOM 192 CA VAL A 13 -4.771 1.592 -35.289 1.00 0.00 C ATOM 193 C VAL A 13 -5.486 2.888 -35.618 1.00 0.00 C ATOM 194 O VAL A 13 -6.645 3.080 -35.258 1.00 0.00 O ATOM 195 CB VAL A 13 -5.186 0.469 -36.301 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.295 1.007 -37.717 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.153 -0.623 -36.299 1.00 0.00 C ATOM 0 H VAL A 13 -6.064 1.244 -33.733 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.692 1.715 -35.386 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.158 0.089 -35.986 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.584 0.201 -38.391 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.047 1.795 -37.750 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.332 1.412 -38.028 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.445 -1.402 -37.004 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.188 -0.211 -36.593 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.076 -1.049 -35.299 1.00 0.00 H new ATOM 207 N VAL A 14 -4.805 3.766 -36.263 1.00 0.00 N ATOM 208 CA VAL A 14 -5.380 4.992 -36.669 1.00 0.00 C ATOM 209 C VAL A 14 -5.446 5.024 -38.164 1.00 0.00 C ATOM 210 O VAL A 14 -4.529 4.615 -38.828 1.00 0.00 O ATOM 211 CB VAL A 14 -4.617 6.218 -36.113 1.00 0.00 C ATOM 212 CG1 VAL A 14 -3.134 6.158 -36.441 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.237 7.519 -36.616 1.00 0.00 C ATOM 0 H VAL A 14 -3.826 3.650 -36.525 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.386 5.055 -36.255 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.709 6.193 -35.027 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.635 7.037 -36.033 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.701 5.259 -36.003 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.001 6.135 -37.523 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.683 8.366 -36.211 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.195 7.545 -37.705 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.276 7.576 -36.291 1.00 0.00 H new ATOM 223 N SER A 15 -6.548 5.420 -38.665 1.00 0.00 N ATOM 224 CA SER A 15 -6.748 5.547 -40.068 1.00 0.00 C ATOM 225 C SER A 15 -6.886 7.018 -40.407 1.00 0.00 C ATOM 226 O SER A 15 -7.817 7.670 -39.955 1.00 0.00 O ATOM 227 CB SER A 15 -7.988 4.747 -40.445 1.00 0.00 C ATOM 228 OG SER A 15 -7.787 3.392 -40.085 1.00 0.00 O ATOM 0 H SER A 15 -7.362 5.673 -38.105 1.00 0.00 H new ATOM 0 HA SER A 15 -5.905 5.154 -40.636 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.864 5.147 -39.934 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.178 4.828 -41.515 1.00 0.00 H new ATOM 0 HG SER A 15 -8.249 2.811 -40.725 1.00 0.00 H new ATOM 234 N PHE A 16 -5.920 7.554 -41.116 1.00 0.00 N ATOM 235 CA PHE A 16 -5.949 8.953 -41.493 1.00 0.00 C ATOM 236 C PHE A 16 -6.569 9.139 -42.851 1.00 0.00 C ATOM 237 O PHE A 16 -6.554 8.226 -43.689 1.00 0.00 O ATOM 238 CB PHE A 16 -4.548 9.579 -41.484 1.00 0.00 C ATOM 239 CG PHE A 16 -4.002 9.877 -40.124 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.276 8.938 -39.420 1.00 0.00 C ATOM 241 CD2 PHE A 16 -4.209 11.119 -39.552 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.772 9.237 -38.171 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.711 11.415 -38.311 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.993 10.476 -37.618 1.00 0.00 C ATOM 0 H PHE A 16 -5.101 7.043 -41.445 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.560 9.461 -40.747 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.861 8.905 -41.996 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.575 10.504 -42.060 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.101 7.963 -39.850 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.772 11.866 -40.092 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.203 8.497 -37.627 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.884 12.389 -37.878 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.601 10.709 -36.639 1.00 0.00 H new ATOM 254 N ASP A 17 -7.151 10.288 -43.059 1.00 0.00 N ATOM 255 CA ASP A 17 -7.692 10.637 -44.352 1.00 0.00 C ATOM 256 C ASP A 17 -7.508 12.079 -44.525 1.00 0.00 C ATOM 257 O ASP A 17 -7.747 12.854 -43.580 1.00 0.00 O ATOM 258 CB ASP A 17 -9.141 10.316 -44.452 1.00 0.00 C ATOM 259 CG ASP A 17 -9.568 10.023 -45.875 1.00 0.00 C ATOM 260 OD1 ASP A 17 -9.387 8.862 -46.340 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.099 10.915 -46.552 1.00 0.00 O ATOM 0 H ASP A 17 -7.265 11.007 -42.345 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.177 10.064 -45.123 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.364 9.454 -43.823 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.724 11.152 -44.065 1.00 0.00 H new ATOM 266 N TYR A 18 -7.073 12.455 -45.677 1.00 0.00 N ATOM 267 CA TYR A 18 -6.720 13.809 -45.950 1.00 0.00 C ATOM 268 C TYR A 18 -6.451 13.943 -47.445 1.00 0.00 C ATOM 269 O TYR A 18 -6.105 12.945 -48.085 1.00 0.00 O ATOM 270 CB TYR A 18 -5.458 14.163 -45.118 1.00 0.00 C ATOM 271 CG TYR A 18 -4.209 13.336 -45.455 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.320 13.736 -46.450 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.941 12.148 -44.785 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.210 12.976 -46.766 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.838 11.383 -45.098 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.976 11.799 -46.089 1.00 0.00 C ATOM 277 OH TYR A 18 -0.885 11.019 -46.419 1.00 0.00 O ATOM 0 H TYR A 18 -6.950 11.824 -46.469 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.522 14.494 -45.676 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.228 15.218 -45.265 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.689 14.031 -44.061 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.502 14.657 -46.984 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.610 11.818 -44.004 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.530 13.303 -47.539 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.650 10.461 -44.568 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.126 11.259 -45.847 1.00 0.00 H new ATOM 287 N PRO A 19 -6.626 15.133 -48.036 1.00 0.00 N ATOM 288 CA PRO A 19 -6.333 15.329 -49.443 1.00 0.00 C ATOM 289 C PRO A 19 -4.829 15.276 -49.711 1.00 0.00 C ATOM 290 O PRO A 19 -4.013 15.739 -48.889 1.00 0.00 O ATOM 291 CB PRO A 19 -6.885 16.711 -49.779 1.00 0.00 C ATOM 292 CG PRO A 19 -7.159 17.391 -48.481 1.00 0.00 C ATOM 293 CD PRO A 19 -7.136 16.350 -47.389 1.00 0.00 C ATOM 0 HA PRO A 19 -6.780 14.545 -50.055 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.168 17.281 -50.370 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.795 16.630 -50.373 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.410 18.160 -48.289 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.128 17.890 -48.510 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.494 16.657 -46.564 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.132 16.190 -46.975 1.00 0.00 H new ATOM 301 N SER A 20 -4.472 14.770 -50.872 1.00 0.00 N ATOM 302 CA SER A 20 -3.085 14.558 -51.260 1.00 0.00 C ATOM 303 C SER A 20 -2.326 15.881 -51.447 1.00 0.00 C ATOM 304 O SER A 20 -1.107 15.894 -51.560 1.00 0.00 O ATOM 305 CB SER A 20 -3.048 13.731 -52.533 1.00 0.00 C ATOM 306 OG SER A 20 -3.845 12.554 -52.385 1.00 0.00 O ATOM 0 H SER A 20 -5.143 14.489 -51.587 1.00 0.00 H new ATOM 0 HA SER A 20 -2.581 14.022 -50.456 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.416 14.324 -53.370 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.019 13.455 -52.765 1.00 0.00 H new ATOM 0 HG SER A 20 -3.814 12.031 -53.213 1.00 0.00 H new ATOM 312 N SER A 21 -3.051 16.982 -51.458 1.00 0.00 N ATOM 313 CA SER A 21 -2.464 18.295 -51.562 1.00 0.00 C ATOM 314 C SER A 21 -1.563 18.570 -50.337 1.00 0.00 C ATOM 315 O SER A 21 -0.530 19.233 -50.434 1.00 0.00 O ATOM 316 CB SER A 21 -3.593 19.299 -51.641 1.00 0.00 C ATOM 317 OG SER A 21 -4.555 18.852 -52.588 1.00 0.00 O ATOM 0 H SER A 21 -4.069 16.986 -51.394 1.00 0.00 H new ATOM 0 HA SER A 21 -1.839 18.371 -52.452 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.058 19.418 -50.662 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.206 20.276 -51.932 1.00 0.00 H new ATOM 0 HG SER A 21 -5.288 19.500 -52.640 1.00 0.00 H new ATOM 323 N TYR A 22 -1.930 17.985 -49.198 1.00 0.00 N ATOM 324 CA TYR A 22 -1.170 18.159 -47.970 1.00 0.00 C ATOM 325 C TYR A 22 -0.125 17.082 -47.811 1.00 0.00 C ATOM 326 O TYR A 22 0.415 16.929 -46.745 1.00 0.00 O ATOM 327 CB TYR A 22 -2.062 18.094 -46.750 1.00 0.00 C ATOM 328 CG TYR A 22 -3.094 19.163 -46.600 1.00 0.00 C ATOM 329 CD1 TYR A 22 -2.742 20.448 -46.235 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.422 18.871 -46.768 1.00 0.00 C ATOM 331 CE1 TYR A 22 -3.701 21.416 -46.043 1.00 0.00 C ATOM 332 CE2 TYR A 22 -5.390 19.830 -46.589 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.023 21.103 -46.226 1.00 0.00 C ATOM 334 OH TYR A 22 -5.984 22.054 -46.018 1.00 0.00 O ATOM 0 H TYR A 22 -2.751 17.386 -49.104 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.700 19.140 -48.046 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.572 17.131 -46.756 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.426 18.112 -45.865 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.700 20.696 -46.098 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.713 17.869 -47.046 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.414 22.415 -45.750 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.432 19.585 -46.733 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.868 21.669 -46.192 1.00 0.00 H new ATOM 344 N SER A 23 0.180 16.369 -48.865 1.00 0.00 N ATOM 345 CA SER A 23 1.138 15.265 -48.804 1.00 0.00 C ATOM 346 C SER A 23 2.491 15.780 -48.319 1.00 0.00 C ATOM 347 O SER A 23 3.092 15.206 -47.440 1.00 0.00 O ATOM 348 CB SER A 23 1.265 14.601 -50.188 1.00 0.00 C ATOM 349 OG SER A 23 1.970 13.372 -50.132 1.00 0.00 O ATOM 0 H SER A 23 -0.219 16.526 -49.790 1.00 0.00 H new ATOM 0 HA SER A 23 0.782 14.515 -48.098 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.270 14.428 -50.598 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.777 15.281 -50.869 1.00 0.00 H new ATOM 0 HG SER A 23 2.025 12.985 -51.031 1.00 0.00 H new ATOM 355 N SER A 24 2.865 16.939 -48.792 1.00 0.00 N ATOM 356 CA SER A 24 4.136 17.534 -48.496 1.00 0.00 C ATOM 357 C SER A 24 4.190 18.103 -47.073 1.00 0.00 C ATOM 358 O SER A 24 5.261 18.284 -46.494 1.00 0.00 O ATOM 359 CB SER A 24 4.360 18.605 -49.534 1.00 0.00 C ATOM 360 OG SER A 24 3.115 19.257 -49.786 1.00 0.00 O ATOM 0 H SER A 24 2.281 17.506 -49.406 1.00 0.00 H new ATOM 0 HA SER A 24 4.926 16.784 -48.533 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.100 19.324 -49.183 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.751 18.167 -50.452 1.00 0.00 H new ATOM 0 HG SER A 24 3.243 19.958 -50.458 1.00 0.00 H new ATOM 366 N VAL A 25 3.044 18.329 -46.501 1.00 0.00 N ATOM 367 CA VAL A 25 2.987 18.916 -45.187 1.00 0.00 C ATOM 368 C VAL A 25 2.644 17.830 -44.156 1.00 0.00 C ATOM 369 O VAL A 25 2.908 17.962 -42.963 1.00 0.00 O ATOM 370 CB VAL A 25 1.967 20.101 -45.133 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.581 19.669 -44.752 1.00 0.00 C ATOM 372 CG2 VAL A 25 2.468 21.225 -44.266 1.00 0.00 C ATOM 0 H VAL A 25 2.137 18.118 -46.918 1.00 0.00 H new ATOM 0 HA VAL A 25 3.964 19.334 -44.945 1.00 0.00 H new ATOM 0 HB VAL A 25 1.888 20.483 -46.151 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.078 20.537 -44.732 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.211 18.949 -45.482 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.602 19.207 -43.765 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.733 22.030 -44.253 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.624 20.860 -43.251 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.410 21.601 -44.666 1.00 0.00 H new ATOM 382 N PHE A 26 2.102 16.730 -44.649 1.00 0.00 N ATOM 383 CA PHE A 26 1.734 15.603 -43.831 1.00 0.00 C ATOM 384 C PHE A 26 2.971 14.885 -43.369 1.00 0.00 C ATOM 385 O PHE A 26 2.975 14.204 -42.337 1.00 0.00 O ATOM 386 CB PHE A 26 0.794 14.645 -44.599 1.00 0.00 C ATOM 387 CG PHE A 26 0.812 13.250 -44.063 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.132 12.925 -42.903 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.565 12.274 -44.700 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.210 11.650 -42.392 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.637 11.004 -44.198 1.00 0.00 C ATOM 392 CZ PHE A 26 0.966 10.691 -43.045 1.00 0.00 C ATOM 0 H PHE A 26 1.905 16.599 -45.641 1.00 0.00 H new ATOM 0 HA PHE A 26 1.191 15.966 -42.958 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.224 15.032 -44.554 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.083 14.628 -45.650 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.461 13.673 -42.398 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.101 12.521 -45.604 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.317 11.398 -41.484 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.220 10.251 -44.708 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.027 9.690 -42.643 1.00 0.00 H new ATOM 402 N LEU A 27 4.038 15.077 -44.101 1.00 0.00 N ATOM 403 CA LEU A 27 5.298 14.436 -43.805 1.00 0.00 C ATOM 404 C LEU A 27 5.786 14.875 -42.423 1.00 0.00 C ATOM 405 O LEU A 27 6.568 14.194 -41.778 1.00 0.00 O ATOM 406 CB LEU A 27 6.343 14.785 -44.858 1.00 0.00 C ATOM 407 CG LEU A 27 5.912 14.633 -46.320 1.00 0.00 C ATOM 408 CD1 LEU A 27 7.062 14.923 -47.249 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.296 13.262 -46.596 1.00 0.00 C ATOM 0 H LEU A 27 4.060 15.683 -44.921 1.00 0.00 H new ATOM 0 HA LEU A 27 5.149 13.356 -43.813 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.657 15.817 -44.700 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.218 14.157 -44.692 1.00 0.00 H new ATOM 0 HG LEU A 27 5.132 15.369 -46.511 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.733 14.809 -48.282 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.410 15.944 -47.090 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.876 14.227 -47.049 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.005 13.198 -47.644 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.026 12.484 -46.374 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.417 13.125 -45.966 1.00 0.00 H new ATOM 421 N ARG A 28 5.272 15.995 -41.969 1.00 0.00 N ATOM 422 CA ARG A 28 5.599 16.506 -40.667 1.00 0.00 C ATOM 423 C ARG A 28 4.860 15.673 -39.631 1.00 0.00 C ATOM 424 O ARG A 28 5.457 15.115 -38.732 1.00 0.00 O ATOM 425 CB ARG A 28 5.179 17.973 -40.544 1.00 0.00 C ATOM 426 CG ARG A 28 5.648 18.866 -41.690 1.00 0.00 C ATOM 427 CD ARG A 28 7.136 18.739 -41.939 1.00 0.00 C ATOM 428 NE ARG A 28 7.926 19.178 -40.779 1.00 0.00 N ATOM 429 CZ ARG A 28 9.221 19.524 -40.800 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.884 19.586 -41.954 1.00 0.00 N ATOM 431 NH2 ARG A 28 9.835 19.849 -39.665 1.00 0.00 N ATOM 0 H ARG A 28 4.617 16.573 -42.495 1.00 0.00 H new ATOM 0 HA ARG A 28 6.676 16.446 -40.509 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.092 18.022 -40.484 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.568 18.372 -39.607 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.105 18.604 -42.598 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.406 19.904 -41.462 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.378 17.702 -42.171 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.410 19.333 -42.811 1.00 0.00 H new ATOM 0 HE ARG A 28 7.447 19.223 -39.880 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.406 19.370 -42.829 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.869 19.850 -41.963 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.320 19.834 -38.784 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.820 20.113 -39.676 1.00 0.00 H new ATOM 445 N LEU A 29 3.562 15.517 -39.850 1.00 0.00 N ATOM 446 CA LEU A 29 2.668 14.789 -38.948 1.00 0.00 C ATOM 447 C LEU A 29 3.093 13.315 -38.859 1.00 0.00 C ATOM 448 O LEU A 29 3.003 12.706 -37.799 1.00 0.00 O ATOM 449 CB LEU A 29 1.204 14.942 -39.460 1.00 0.00 C ATOM 450 CG LEU A 29 0.012 14.635 -38.493 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.196 13.160 -38.284 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.196 15.317 -37.146 1.00 0.00 C ATOM 0 H LEU A 29 3.089 15.897 -40.670 1.00 0.00 H new ATOM 0 HA LEU A 29 2.727 15.202 -37.941 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.086 15.968 -39.808 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.093 14.295 -40.330 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.877 15.037 -38.979 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.035 13.003 -37.605 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.410 12.684 -39.241 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.705 12.723 -37.854 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.650 15.082 -36.500 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.116 14.963 -36.682 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.254 16.396 -37.289 1.00 0.00 H new ATOM 464 N ARG A 30 3.624 12.763 -39.960 1.00 0.00 N ATOM 465 CA ARG A 30 4.051 11.353 -39.950 1.00 0.00 C ATOM 466 C ARG A 30 5.271 11.204 -39.073 1.00 0.00 C ATOM 467 O ARG A 30 5.408 10.252 -38.318 1.00 0.00 O ATOM 468 CB ARG A 30 4.305 10.806 -41.363 1.00 0.00 C ATOM 469 CG ARG A 30 5.545 11.321 -42.058 1.00 0.00 C ATOM 470 CD ARG A 30 5.702 10.753 -43.469 1.00 0.00 C ATOM 471 NE ARG A 30 6.011 9.318 -43.472 1.00 0.00 N ATOM 472 CZ ARG A 30 5.981 8.513 -44.553 1.00 0.00 C ATOM 473 NH1 ARG A 30 5.600 8.985 -45.743 1.00 0.00 N ATOM 474 NH2 ARG A 30 6.335 7.243 -44.436 1.00 0.00 N ATOM 0 H ARG A 30 3.766 13.252 -40.844 1.00 0.00 H new ATOM 0 HA ARG A 30 3.238 10.755 -39.539 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.370 9.719 -41.305 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.440 11.041 -41.983 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.503 12.409 -42.110 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.423 11.063 -41.466 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.783 10.923 -44.029 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.495 11.292 -43.987 1.00 0.00 H new ATOM 0 HE ARG A 30 6.270 8.894 -42.581 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.328 9.963 -45.840 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.581 8.367 -46.554 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.629 6.877 -43.531 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.314 6.630 -45.251 1.00 0.00 H new ATOM 488 N SER A 31 6.093 12.209 -39.125 1.00 0.00 N ATOM 489 CA SER A 31 7.304 12.261 -38.341 1.00 0.00 C ATOM 490 C SER A 31 6.966 12.379 -36.845 1.00 0.00 C ATOM 491 O SER A 31 7.713 11.902 -35.987 1.00 0.00 O ATOM 492 CB SER A 31 8.184 13.418 -38.808 1.00 0.00 C ATOM 493 OG SER A 31 8.498 13.300 -40.203 1.00 0.00 O ATOM 0 H SER A 31 5.946 13.027 -39.717 1.00 0.00 H new ATOM 0 HA SER A 31 7.863 11.336 -38.484 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.673 14.364 -38.626 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.105 13.436 -38.225 1.00 0.00 H new ATOM 0 HG SER A 31 7.772 13.687 -40.736 1.00 0.00 H new ATOM 499 N LEU A 32 5.823 12.985 -36.553 1.00 0.00 N ATOM 500 CA LEU A 32 5.329 13.107 -35.184 1.00 0.00 C ATOM 501 C LEU A 32 4.874 11.754 -34.650 1.00 0.00 C ATOM 502 O LEU A 32 5.071 11.438 -33.483 1.00 0.00 O ATOM 503 CB LEU A 32 4.165 14.108 -35.099 1.00 0.00 C ATOM 504 CG LEU A 32 4.490 15.596 -34.820 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.097 15.759 -33.448 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.413 16.196 -35.863 1.00 0.00 C ATOM 0 H LEU A 32 5.213 13.405 -37.254 1.00 0.00 H new ATOM 0 HA LEU A 32 6.153 13.475 -34.573 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.616 14.059 -36.040 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.488 13.764 -34.317 1.00 0.00 H new ATOM 0 HG LEU A 32 3.544 16.136 -34.869 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.318 16.811 -33.271 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.394 15.404 -32.695 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.018 15.179 -33.386 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.608 17.240 -35.619 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.353 15.645 -35.877 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.942 16.135 -36.844 1.00 0.00 H new ATOM 518 N MET A 33 4.274 10.961 -35.515 1.00 0.00 N ATOM 519 CA MET A 33 3.770 9.635 -35.158 1.00 0.00 C ATOM 520 C MET A 33 4.883 8.751 -34.650 1.00 0.00 C ATOM 521 O MET A 33 4.784 8.164 -33.578 1.00 0.00 O ATOM 522 CB MET A 33 3.188 8.951 -36.375 1.00 0.00 C ATOM 523 CG MET A 33 2.154 9.730 -37.117 1.00 0.00 C ATOM 524 SD MET A 33 1.596 8.829 -38.551 1.00 0.00 S ATOM 525 CE MET A 33 0.473 9.999 -39.263 1.00 0.00 C ATOM 0 H MET A 33 4.118 11.212 -36.491 1.00 0.00 H new ATOM 0 HA MET A 33 3.014 9.777 -34.386 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.001 8.715 -37.061 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.749 8.003 -36.062 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.309 9.939 -36.461 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.566 10.692 -37.423 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.091 9.521 -40.064 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.216 10.355 -38.497 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.034 10.842 -39.667 1.00 0.00 H new ATOM 535 N TYR A 34 5.945 8.675 -35.422 1.00 0.00 N ATOM 536 CA TYR A 34 7.061 7.795 -35.105 1.00 0.00 C ATOM 537 C TYR A 34 7.924 8.383 -34.010 1.00 0.00 C ATOM 538 O TYR A 34 8.771 7.705 -33.434 1.00 0.00 O ATOM 539 CB TYR A 34 7.874 7.517 -36.342 1.00 0.00 C ATOM 540 CG TYR A 34 7.042 6.993 -37.482 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.277 5.835 -37.350 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.011 7.661 -38.689 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.514 5.378 -38.393 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.249 7.206 -39.733 1.00 0.00 C ATOM 545 CZ TYR A 34 5.505 6.070 -39.583 1.00 0.00 C ATOM 546 OH TYR A 34 4.752 5.614 -40.635 1.00 0.00 O ATOM 0 H TYR A 34 6.064 9.213 -36.280 1.00 0.00 H new ATOM 0 HA TYR A 34 6.660 6.851 -34.737 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.375 8.433 -36.655 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.653 6.793 -36.104 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.286 5.292 -36.416 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.598 8.559 -38.813 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.924 4.481 -38.282 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.237 7.743 -40.670 1.00 0.00 H new ATOM 0 HH TYR A 34 3.801 5.679 -40.409 1.00 0.00 H new ATOM 556 N ASP A 35 7.735 9.659 -33.769 1.00 0.00 N ATOM 557 CA ASP A 35 8.340 10.342 -32.630 1.00 0.00 C ATOM 558 C ASP A 35 7.684 9.813 -31.368 1.00 0.00 C ATOM 559 O ASP A 35 8.336 9.569 -30.345 1.00 0.00 O ATOM 560 CB ASP A 35 8.105 11.845 -32.747 1.00 0.00 C ATOM 561 CG ASP A 35 8.570 12.630 -31.550 1.00 0.00 C ATOM 562 OD1 ASP A 35 9.729 13.064 -31.524 1.00 0.00 O ATOM 563 OD2 ASP A 35 7.772 12.881 -30.636 1.00 0.00 O ATOM 0 H ASP A 35 7.157 10.262 -34.354 1.00 0.00 H new ATOM 0 HA ASP A 35 9.415 10.161 -32.603 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.619 12.215 -33.634 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.041 12.026 -32.897 1.00 0.00 H new ATOM 568 N MET A 36 6.393 9.586 -31.486 1.00 0.00 N ATOM 569 CA MET A 36 5.576 9.035 -30.441 1.00 0.00 C ATOM 570 C MET A 36 5.610 7.498 -30.517 1.00 0.00 C ATOM 571 O MET A 36 6.613 6.906 -30.943 1.00 0.00 O ATOM 572 CB MET A 36 4.135 9.580 -30.563 1.00 0.00 C ATOM 573 CG MET A 36 3.991 11.046 -30.176 1.00 0.00 C ATOM 574 SD MET A 36 2.297 11.662 -30.355 1.00 0.00 S ATOM 575 CE MET A 36 2.127 11.714 -32.136 1.00 0.00 C ATOM 0 H MET A 36 5.873 9.788 -32.340 1.00 0.00 H new ATOM 0 HA MET A 36 5.965 9.333 -29.467 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.795 9.451 -31.591 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.477 8.982 -29.932 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.312 11.176 -29.143 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.657 11.647 -30.795 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.126 12.058 -32.396 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.866 12.399 -32.552 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.286 10.717 -32.546 1.00 0.00 H new ATOM 585 N ASN A 37 4.545 6.858 -30.114 1.00 0.00 N ATOM 586 CA ASN A 37 4.512 5.397 -30.025 1.00 0.00 C ATOM 587 C ASN A 37 3.950 4.711 -31.244 1.00 0.00 C ATOM 588 O ASN A 37 3.810 3.481 -31.251 1.00 0.00 O ATOM 589 CB ASN A 37 3.785 4.927 -28.783 1.00 0.00 C ATOM 590 CG ASN A 37 4.674 4.904 -27.576 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.290 3.894 -27.271 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.755 5.993 -26.888 1.00 0.00 N ATOM 0 H ASN A 37 3.677 7.316 -29.837 1.00 0.00 H new ATOM 0 HA ASN A 37 5.560 5.104 -29.963 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.935 5.582 -28.593 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.385 3.928 -28.955 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.348 6.030 -26.059 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.226 6.817 -27.173 1.00 0.00 H new ATOM 599 N PHE A 38 3.573 5.475 -32.241 1.00 0.00 N ATOM 600 CA PHE A 38 3.033 4.895 -33.466 1.00 0.00 C ATOM 601 C PHE A 38 4.101 4.108 -34.246 1.00 0.00 C ATOM 602 O PHE A 38 5.302 4.382 -34.136 1.00 0.00 O ATOM 603 CB PHE A 38 2.436 5.961 -34.367 1.00 0.00 C ATOM 604 CG PHE A 38 1.320 6.706 -33.736 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.576 7.839 -32.992 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.017 6.271 -33.867 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.566 8.524 -32.389 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.006 6.962 -33.265 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.720 8.091 -32.523 1.00 0.00 C ATOM 0 H PHE A 38 3.626 6.494 -32.237 1.00 0.00 H new ATOM 0 HA PHE A 38 2.246 4.205 -33.160 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.218 6.665 -34.652 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.078 5.493 -35.284 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.593 8.188 -32.886 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.199 5.384 -34.445 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.782 9.407 -31.807 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.027 6.625 -33.371 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.521 8.635 -32.045 1.00 0.00 H new ATOM 619 N SER A 39 3.658 3.141 -35.013 1.00 0.00 N ATOM 620 CA SER A 39 4.526 2.302 -35.814 1.00 0.00 C ATOM 621 C SER A 39 3.987 2.116 -37.236 1.00 0.00 C ATOM 622 O SER A 39 2.830 2.470 -37.529 1.00 0.00 O ATOM 623 CB SER A 39 4.666 0.955 -35.158 1.00 0.00 C ATOM 624 OG SER A 39 5.283 1.063 -33.881 1.00 0.00 O ATOM 0 H SER A 39 2.669 2.909 -35.102 1.00 0.00 H new ATOM 0 HA SER A 39 5.495 2.796 -35.883 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.683 0.496 -35.052 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.257 0.298 -35.795 1.00 0.00 H new ATOM 0 HG SER A 39 5.359 0.173 -33.478 1.00 0.00 H new ATOM 630 N SER A 40 4.815 1.529 -38.093 1.00 0.00 N ATOM 631 CA SER A 40 4.489 1.323 -39.486 1.00 0.00 C ATOM 632 C SER A 40 4.043 -0.107 -39.765 1.00 0.00 C ATOM 633 O SER A 40 3.382 -0.370 -40.785 1.00 0.00 O ATOM 634 CB SER A 40 5.714 1.600 -40.309 1.00 0.00 C ATOM 635 OG SER A 40 6.309 2.817 -39.918 1.00 0.00 O ATOM 0 H SER A 40 5.738 1.182 -37.831 1.00 0.00 H new ATOM 0 HA SER A 40 3.668 1.993 -39.741 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.429 0.785 -40.193 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.448 1.642 -41.365 1.00 0.00 H new ATOM 0 HG SER A 40 5.631 3.398 -39.515 1.00 0.00 H new ATOM 641 N ILE A 41 4.448 -1.015 -38.913 1.00 0.00 N ATOM 642 CA ILE A 41 4.138 -2.422 -39.049 1.00 0.00 C ATOM 643 C ILE A 41 3.517 -2.935 -37.755 1.00 0.00 C ATOM 644 O ILE A 41 3.877 -2.475 -36.661 1.00 0.00 O ATOM 645 CB ILE A 41 5.430 -3.289 -39.389 1.00 0.00 C ATOM 646 CG1 ILE A 41 5.833 -3.232 -40.868 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.322 -4.741 -38.944 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.405 -1.926 -41.326 1.00 0.00 C ATOM 0 H ILE A 41 5.012 -0.797 -38.091 1.00 0.00 H new ATOM 0 HA ILE A 41 3.437 -2.526 -39.877 1.00 0.00 H new ATOM 0 HB ILE A 41 6.219 -2.815 -38.805 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.565 -4.017 -41.059 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.957 -3.459 -41.475 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.237 -5.271 -39.208 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.178 -4.781 -37.864 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.474 -5.212 -39.441 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.657 -1.990 -42.385 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.671 -1.134 -41.175 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.304 -1.701 -40.752 1.00 0.00 H new ATOM 660 N VAL A 42 2.576 -3.833 -37.888 1.00 0.00 N ATOM 661 CA VAL A 42 1.983 -4.527 -36.767 1.00 0.00 C ATOM 662 C VAL A 42 1.446 -5.866 -37.293 1.00 0.00 C ATOM 663 O VAL A 42 1.123 -5.980 -38.486 1.00 0.00 O ATOM 664 CB VAL A 42 0.855 -3.690 -36.084 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.299 -3.483 -37.020 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.394 -4.313 -34.768 1.00 0.00 C ATOM 0 H VAL A 42 2.192 -4.109 -38.791 1.00 0.00 H new ATOM 0 HA VAL A 42 2.734 -4.690 -35.994 1.00 0.00 H new ATOM 0 HB VAL A 42 1.277 -2.715 -35.842 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.071 -2.898 -36.521 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.043 -2.951 -37.908 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.709 -4.450 -37.312 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.391 -3.697 -34.329 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.007 -5.315 -34.955 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.236 -4.373 -34.079 1.00 0.00 H new ATOM 676 N ALA A 43 1.432 -6.867 -36.458 1.00 0.00 N ATOM 677 CA ALA A 43 0.955 -8.187 -36.836 1.00 0.00 C ATOM 678 C ALA A 43 -0.560 -8.215 -37.019 1.00 0.00 C ATOM 679 O ALA A 43 -1.310 -7.621 -36.234 1.00 0.00 O ATOM 680 CB ALA A 43 1.380 -9.223 -35.808 1.00 0.00 C ATOM 0 H ALA A 43 1.750 -6.800 -35.491 1.00 0.00 H new ATOM 0 HA ALA A 43 1.408 -8.432 -37.797 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.014 -10.205 -36.108 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.468 -9.246 -35.743 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.964 -8.962 -34.835 1.00 0.00 H new ATOM 686 N ASP A 44 -0.993 -8.893 -38.062 1.00 0.00 N ATOM 687 CA ASP A 44 -2.412 -9.074 -38.366 1.00 0.00 C ATOM 688 C ASP A 44 -2.984 -10.246 -37.572 1.00 0.00 C ATOM 689 O ASP A 44 -2.328 -10.771 -36.670 1.00 0.00 O ATOM 690 CB ASP A 44 -2.645 -9.295 -39.889 1.00 0.00 C ATOM 691 CG ASP A 44 -1.948 -10.519 -40.476 1.00 0.00 C ATOM 692 OD1 ASP A 44 -1.561 -11.413 -39.729 1.00 0.00 O ATOM 693 OD2 ASP A 44 -1.810 -10.596 -41.701 1.00 0.00 O ATOM 0 H ASP A 44 -0.370 -9.341 -38.734 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.930 -8.160 -38.075 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.716 -9.385 -40.068 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.305 -8.409 -40.426 1.00 0.00 H new ATOM 698 N GLU A 45 -4.179 -10.684 -37.931 1.00 0.00 N ATOM 699 CA GLU A 45 -4.839 -11.776 -37.231 1.00 0.00 C ATOM 700 C GLU A 45 -4.124 -13.110 -37.492 1.00 0.00 C ATOM 701 O GLU A 45 -4.228 -14.052 -36.700 1.00 0.00 O ATOM 702 CB GLU A 45 -6.305 -11.902 -37.666 1.00 0.00 C ATOM 703 CG GLU A 45 -6.494 -12.472 -39.064 1.00 0.00 C ATOM 704 CD GLU A 45 -7.952 -12.692 -39.412 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.663 -13.326 -38.608 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.403 -12.302 -40.512 1.00 0.00 O ATOM 0 H GLU A 45 -4.716 -10.298 -38.708 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.797 -11.548 -36.166 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.831 -12.537 -36.953 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.772 -10.918 -37.621 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.049 -11.794 -39.792 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.959 -13.419 -39.142 1.00 0.00 H new ATOM 713 N TYR A 46 -3.388 -13.180 -38.591 1.00 0.00 N ATOM 714 CA TYR A 46 -2.735 -14.400 -38.992 1.00 0.00 C ATOM 715 C TYR A 46 -1.379 -14.469 -38.309 1.00 0.00 C ATOM 716 O TYR A 46 -0.858 -15.544 -38.033 1.00 0.00 O ATOM 717 CB TYR A 46 -2.581 -14.450 -40.525 1.00 0.00 C ATOM 718 CG TYR A 46 -3.857 -14.098 -41.276 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.961 -14.938 -41.267 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.957 -12.901 -41.965 1.00 0.00 C ATOM 721 CE1 TYR A 46 -6.124 -14.589 -41.934 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.109 -12.541 -42.620 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.187 -13.385 -42.609 1.00 0.00 C ATOM 724 OH TYR A 46 -7.359 -12.999 -43.231 1.00 0.00 O ATOM 0 H TYR A 46 -3.232 -12.393 -39.221 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.337 -15.259 -38.694 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.791 -13.762 -40.825 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.261 -15.450 -40.817 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.913 -15.876 -40.733 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.108 -12.234 -41.988 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.975 -15.253 -41.926 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.164 -11.597 -43.141 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.991 -12.666 -42.560 1.00 0.00 H new ATOM 734 N GLY A 47 -0.844 -13.310 -38.024 1.00 0.00 N ATOM 735 CA GLY A 47 0.420 -13.193 -37.347 1.00 0.00 C ATOM 736 C GLY A 47 1.478 -12.622 -38.258 1.00 0.00 C ATOM 737 O GLY A 47 2.681 -12.708 -37.976 1.00 0.00 O ATOM 0 H GLY A 47 -1.276 -12.416 -38.257 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.308 -12.554 -36.471 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.735 -14.173 -36.989 1.00 0.00 H new ATOM 741 N ILE A 48 1.037 -12.028 -39.341 1.00 0.00 N ATOM 742 CA ILE A 48 1.910 -11.475 -40.332 1.00 0.00 C ATOM 743 C ILE A 48 2.112 -9.988 -40.083 1.00 0.00 C ATOM 744 O ILE A 48 1.144 -9.257 -39.852 1.00 0.00 O ATOM 745 CB ILE A 48 1.391 -11.757 -41.802 1.00 0.00 C ATOM 746 CG1 ILE A 48 1.794 -13.165 -42.271 1.00 0.00 C ATOM 747 CG2 ILE A 48 1.869 -10.715 -42.804 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.214 -14.299 -41.464 1.00 0.00 C ATOM 0 H ILE A 48 0.046 -11.917 -39.556 1.00 0.00 H new ATOM 0 HA ILE A 48 2.876 -11.971 -40.245 1.00 0.00 H new ATOM 0 HB ILE A 48 0.304 -11.693 -41.760 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.489 -13.286 -43.310 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.881 -13.242 -42.247 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.483 -10.958 -43.794 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.508 -9.731 -42.506 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.959 -10.709 -42.831 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.557 -15.249 -41.873 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.540 -14.212 -40.427 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.126 -14.257 -41.507 1.00 0.00 H new ATOM 760 N PRO A 49 3.370 -9.535 -40.069 1.00 0.00 N ATOM 761 CA PRO A 49 3.693 -8.128 -39.885 1.00 0.00 C ATOM 762 C PRO A 49 3.263 -7.306 -41.100 1.00 0.00 C ATOM 763 O PRO A 49 3.886 -7.355 -42.170 1.00 0.00 O ATOM 764 CB PRO A 49 5.216 -8.112 -39.722 1.00 0.00 C ATOM 765 CG PRO A 49 5.699 -9.381 -40.341 1.00 0.00 C ATOM 766 CD PRO A 49 4.577 -10.372 -40.231 1.00 0.00 C ATOM 0 HA PRO A 49 3.178 -7.689 -39.030 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.654 -7.244 -40.215 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.497 -8.057 -38.670 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.974 -9.222 -41.384 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.589 -9.746 -39.829 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.511 -10.999 -41.120 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.716 -11.039 -39.380 1.00 0.00 H new ATOM 774 N ARG A 50 2.176 -6.620 -40.951 1.00 0.00 N ATOM 775 CA ARG A 50 1.617 -5.832 -42.010 1.00 0.00 C ATOM 776 C ARG A 50 2.097 -4.413 -41.955 1.00 0.00 C ATOM 777 O ARG A 50 2.358 -3.878 -40.882 1.00 0.00 O ATOM 778 CB ARG A 50 0.122 -5.803 -41.868 1.00 0.00 C ATOM 779 CG ARG A 50 -0.553 -7.131 -42.000 1.00 0.00 C ATOM 780 CD ARG A 50 -0.519 -7.635 -43.409 1.00 0.00 C ATOM 781 NE ARG A 50 -1.346 -8.813 -43.535 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.072 -9.137 -44.579 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.021 -8.421 -45.688 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.842 -10.190 -44.515 1.00 0.00 N ATOM 0 H ARG A 50 1.643 -6.588 -40.082 1.00 0.00 H new ATOM 0 HA ARG A 50 1.926 -6.283 -42.953 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.127 -5.381 -40.894 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.286 -5.129 -42.621 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.066 -7.853 -41.344 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.588 -7.047 -41.669 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.871 -6.860 -44.089 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.506 -7.869 -43.695 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.367 -9.451 -42.740 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.412 -7.605 -45.740 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.591 -8.685 -46.492 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.873 -10.748 -43.662 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.412 -10.454 -45.318 1.00 0.00 H new ATOM 798 N GLN A 51 2.189 -3.814 -43.109 1.00 0.00 N ATOM 799 CA GLN A 51 2.456 -2.404 -43.234 1.00 0.00 C ATOM 800 C GLN A 51 1.158 -1.678 -43.092 1.00 0.00 C ATOM 801 O GLN A 51 0.092 -2.189 -43.465 1.00 0.00 O ATOM 802 CB GLN A 51 3.057 -2.051 -44.585 1.00 0.00 C ATOM 803 CG GLN A 51 4.551 -2.209 -44.688 1.00 0.00 C ATOM 804 CD GLN A 51 5.308 -0.908 -44.475 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.333 -0.681 -45.087 1.00 0.00 O ATOM 806 NE2 GLN A 51 4.879 -0.107 -43.532 1.00 0.00 N ATOM 0 H GLN A 51 2.080 -4.295 -44.002 1.00 0.00 H new ATOM 0 HA GLN A 51 3.174 -2.120 -42.464 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.589 -2.675 -45.346 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.801 -1.018 -44.819 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.884 -2.940 -43.951 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.800 -2.610 -45.670 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.015 -0.322 -43.034 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.409 0.732 -43.295 1.00 0.00 H new ATOM 815 N LEU A 52 1.242 -0.530 -42.560 1.00 0.00 N ATOM 816 CA LEU A 52 0.073 0.273 -42.270 1.00 0.00 C ATOM 817 C LEU A 52 0.036 1.524 -43.119 1.00 0.00 C ATOM 818 O LEU A 52 -1.030 2.035 -43.421 1.00 0.00 O ATOM 819 CB LEU A 52 0.153 0.640 -40.790 1.00 0.00 C ATOM 820 CG LEU A 52 0.311 -0.568 -39.880 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.534 -0.138 -38.470 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.897 -1.486 -40.007 1.00 0.00 C ATOM 0 H LEU A 52 2.125 -0.091 -42.300 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.836 -0.285 -42.496 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.994 1.316 -40.635 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.749 1.184 -40.508 1.00 0.00 H new ATOM 0 HG LEU A 52 1.190 -1.132 -40.190 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.645 -1.017 -37.835 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.439 0.467 -38.413 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.318 0.450 -38.130 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.771 -2.347 -39.350 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.798 -0.943 -39.724 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.988 -1.827 -41.038 1.00 0.00 H new ATOM 834 N ASN A 53 1.217 1.936 -43.575 1.00 0.00 N ATOM 835 CA ASN A 53 1.528 3.276 -44.231 1.00 0.00 C ATOM 836 C ASN A 53 0.791 3.573 -45.523 1.00 0.00 C ATOM 837 O ASN A 53 1.202 4.407 -46.310 1.00 0.00 O ATOM 838 CB ASN A 53 3.034 3.415 -44.444 1.00 0.00 C ATOM 839 CG ASN A 53 3.819 3.153 -43.180 1.00 0.00 C ATOM 840 OD1 ASN A 53 4.963 2.739 -43.224 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.183 3.303 -42.044 1.00 0.00 N ATOM 0 H ASN A 53 2.044 1.343 -43.511 1.00 0.00 H new ATOM 0 HA ASN A 53 1.156 4.020 -43.527 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.355 2.719 -45.219 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.256 4.419 -44.805 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.646 3.071 -41.166 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.225 3.652 -42.038 1.00 0.00 H new ATOM 848 N GLU A 54 -0.290 2.961 -45.670 1.00 0.00 N ATOM 849 CA GLU A 54 -1.170 3.146 -46.766 1.00 0.00 C ATOM 850 C GLU A 54 -2.169 4.236 -46.390 1.00 0.00 C ATOM 851 O GLU A 54 -2.703 4.932 -47.250 1.00 0.00 O ATOM 852 CB GLU A 54 -1.889 1.846 -47.038 1.00 0.00 C ATOM 853 CG GLU A 54 -0.944 0.676 -47.203 1.00 0.00 C ATOM 854 CD GLU A 54 -1.666 -0.585 -47.518 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.064 -0.773 -48.678 1.00 0.00 O ATOM 856 OE2 GLU A 54 -1.865 -1.413 -46.611 1.00 0.00 O ATOM 0 H GLU A 54 -0.625 2.270 -44.999 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.625 3.442 -47.663 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.577 1.638 -46.219 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.491 1.951 -47.941 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.232 0.895 -47.999 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.367 0.544 -46.287 1.00 0.00 H new ATOM 863 N ASN A 55 -2.393 4.364 -45.074 1.00 0.00 N ATOM 864 CA ASN A 55 -3.291 5.371 -44.465 1.00 0.00 C ATOM 865 C ASN A 55 -3.390 5.169 -42.959 1.00 0.00 C ATOM 866 O ASN A 55 -3.694 6.100 -42.208 1.00 0.00 O ATOM 867 CB ASN A 55 -4.717 5.348 -45.060 1.00 0.00 C ATOM 868 CG ASN A 55 -5.644 4.187 -44.622 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.839 4.389 -44.439 1.00 0.00 O ATOM 870 ND2 ASN A 55 -5.147 2.978 -44.544 1.00 0.00 N ATOM 0 H ASN A 55 -1.948 3.760 -44.383 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.845 6.340 -44.690 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.206 6.287 -44.803 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.630 5.321 -46.146 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.756 2.189 -44.328 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.150 2.825 -44.699 1.00 0.00 H new ATOM 877 N SER A 56 -3.159 3.961 -42.533 1.00 0.00 N ATOM 878 CA SER A 56 -3.268 3.585 -41.183 1.00 0.00 C ATOM 879 C SER A 56 -1.916 3.476 -40.519 1.00 0.00 C ATOM 880 O SER A 56 -0.889 3.491 -41.183 1.00 0.00 O ATOM 881 CB SER A 56 -4.014 2.277 -41.167 1.00 0.00 C ATOM 882 OG SER A 56 -3.627 1.521 -42.315 1.00 0.00 O ATOM 0 H SER A 56 -2.881 3.197 -43.149 1.00 0.00 H new ATOM 0 HA SER A 56 -3.804 4.341 -40.610 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.789 1.724 -40.255 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.089 2.454 -41.175 1.00 0.00 H new ATOM 0 HG SER A 56 -4.188 0.720 -42.384 1.00 0.00 H new ATOM 888 N PHE A 57 -1.920 3.451 -39.208 1.00 0.00 N ATOM 889 CA PHE A 57 -0.726 3.294 -38.404 1.00 0.00 C ATOM 890 C PHE A 57 -1.169 2.659 -37.090 1.00 0.00 C ATOM 891 O PHE A 57 -2.351 2.713 -36.778 1.00 0.00 O ATOM 892 CB PHE A 57 -0.056 4.651 -38.121 1.00 0.00 C ATOM 893 CG PHE A 57 0.248 5.500 -39.343 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.448 5.373 -40.011 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.694 6.398 -39.841 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.706 6.120 -41.151 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.436 7.145 -40.974 1.00 0.00 C ATOM 898 CZ PHE A 57 0.766 7.002 -41.629 1.00 0.00 C ATOM 0 H PHE A 57 -2.772 3.541 -38.655 1.00 0.00 H new ATOM 0 HA PHE A 57 0.004 2.678 -38.930 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.702 5.223 -37.455 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.876 4.471 -37.585 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.194 4.685 -39.643 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.640 6.512 -39.333 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.649 6.008 -41.665 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.175 7.839 -41.345 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.970 7.582 -42.517 1.00 0.00 H new ATOM 908 N ALA A 58 -0.263 2.072 -36.334 1.00 0.00 N ATOM 909 CA ALA A 58 -0.640 1.391 -35.092 1.00 0.00 C ATOM 910 C ALA A 58 0.090 1.978 -33.923 1.00 0.00 C ATOM 911 O ALA A 58 1.116 2.622 -34.101 1.00 0.00 O ATOM 912 CB ALA A 58 -0.366 -0.106 -35.175 1.00 0.00 C ATOM 0 H ALA A 58 0.734 2.047 -36.547 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.711 1.537 -34.951 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.656 -0.582 -34.238 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.942 -0.536 -35.994 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.697 -0.272 -35.352 1.00 0.00 H new ATOM 918 N ILE A 59 -0.429 1.762 -32.738 1.00 0.00 N ATOM 919 CA ILE A 59 0.175 2.263 -31.537 1.00 0.00 C ATOM 920 C ILE A 59 -0.185 1.374 -30.341 1.00 0.00 C ATOM 921 O ILE A 59 -1.288 0.847 -30.268 1.00 0.00 O ATOM 922 CB ILE A 59 -0.255 3.728 -31.281 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.498 4.288 -30.088 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.777 3.833 -31.062 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.439 5.774 -30.003 1.00 0.00 C ATOM 0 H ILE A 59 -1.286 1.231 -32.584 1.00 0.00 H new ATOM 0 HA ILE A 59 1.258 2.243 -31.663 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.008 4.317 -32.164 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.086 3.861 -29.173 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.540 3.975 -30.145 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.048 4.874 -30.885 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.298 3.468 -31.947 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.063 3.232 -30.199 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.996 6.111 -29.129 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.877 6.208 -30.902 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.600 6.092 -29.916 1.00 0.00 H new ATOM 937 N THR A 60 0.737 1.217 -29.421 1.00 0.00 N ATOM 938 CA THR A 60 0.518 0.384 -28.254 1.00 0.00 C ATOM 939 C THR A 60 0.150 1.247 -27.017 1.00 0.00 C ATOM 940 O THR A 60 0.475 0.910 -25.884 1.00 0.00 O ATOM 941 CB THR A 60 1.777 -0.507 -27.965 1.00 0.00 C ATOM 942 OG1 THR A 60 1.480 -1.459 -26.929 1.00 0.00 O ATOM 943 CG2 THR A 60 2.982 0.334 -27.535 1.00 0.00 C ATOM 0 H THR A 60 1.656 1.658 -29.456 1.00 0.00 H new ATOM 0 HA THR A 60 -0.324 -0.277 -28.461 1.00 0.00 H new ATOM 0 HB THR A 60 2.029 -1.023 -28.892 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.512 -1.487 -26.778 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.833 -0.320 -27.344 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.236 1.038 -28.328 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.736 0.884 -26.626 1.00 0.00 H new ATOM 951 N THR A 61 -0.597 2.299 -27.234 1.00 0.00 N ATOM 952 CA THR A 61 -0.949 3.196 -26.157 1.00 0.00 C ATOM 953 C THR A 61 -2.112 2.600 -25.335 1.00 0.00 C ATOM 954 O THR A 61 -2.812 1.702 -25.799 1.00 0.00 O ATOM 955 CB THR A 61 -1.347 4.594 -26.698 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.389 5.530 -25.619 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.723 4.543 -27.358 1.00 0.00 C ATOM 0 H THR A 61 -0.975 2.558 -28.146 1.00 0.00 H new ATOM 0 HA THR A 61 -0.075 3.316 -25.517 1.00 0.00 H new ATOM 0 HB THR A 61 -0.606 4.902 -27.436 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.464 6.439 -25.977 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.984 5.533 -27.731 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.703 3.836 -28.188 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.466 4.223 -26.627 1.00 0.00 H new ATOM 965 N SER A 62 -2.295 3.074 -24.133 1.00 0.00 N ATOM 966 CA SER A 62 -3.350 2.581 -23.295 1.00 0.00 C ATOM 967 C SER A 62 -4.526 3.556 -23.211 1.00 0.00 C ATOM 968 O SER A 62 -5.594 3.204 -22.716 1.00 0.00 O ATOM 969 CB SER A 62 -2.792 2.318 -21.920 1.00 0.00 C ATOM 970 OG SER A 62 -2.128 3.481 -21.424 1.00 0.00 O ATOM 0 H SER A 62 -1.723 3.805 -23.711 1.00 0.00 H new ATOM 0 HA SER A 62 -3.735 1.660 -23.733 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.597 2.033 -21.242 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.095 1.481 -21.957 1.00 0.00 H new ATOM 0 HG SER A 62 -1.772 3.298 -20.530 1.00 0.00 H new ATOM 976 N LEU A 63 -4.316 4.773 -23.665 1.00 0.00 N ATOM 977 CA LEU A 63 -5.351 5.802 -23.602 1.00 0.00 C ATOM 978 C LEU A 63 -6.508 5.524 -24.547 1.00 0.00 C ATOM 979 O LEU A 63 -6.469 4.574 -25.343 1.00 0.00 O ATOM 980 CB LEU A 63 -4.759 7.221 -23.756 1.00 0.00 C ATOM 981 CG LEU A 63 -3.805 7.441 -24.917 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.520 7.716 -26.186 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.759 8.488 -24.606 1.00 0.00 C ATOM 0 H LEU A 63 -3.439 5.082 -24.084 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.783 5.762 -22.602 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.585 7.925 -23.857 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.236 7.473 -22.834 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.269 6.503 -25.063 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.796 7.866 -26.987 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.163 6.871 -26.432 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.128 8.613 -26.074 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.100 8.611 -25.466 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.248 9.437 -24.386 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.174 8.172 -23.742 1.00 0.00 H new ATOM 995 N ALA A 64 -7.524 6.338 -24.477 1.00 0.00 N ATOM 996 CA ALA A 64 -8.705 6.069 -25.231 1.00 0.00 C ATOM 997 C ALA A 64 -8.579 6.568 -26.646 1.00 0.00 C ATOM 998 O ALA A 64 -7.710 7.376 -26.952 1.00 0.00 O ATOM 999 CB ALA A 64 -9.951 6.620 -24.557 1.00 0.00 C ATOM 0 H ALA A 64 -7.554 7.185 -23.909 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.818 4.986 -25.270 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.825 6.392 -25.166 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.065 6.164 -23.574 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.857 7.700 -24.447 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.473 6.115 -27.486 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.474 6.440 -28.903 1.00 0.00 C ATOM 1007 C ALA A 65 -9.511 7.938 -29.150 1.00 0.00 C ATOM 1008 O ALA A 65 -8.702 8.470 -29.909 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.628 5.742 -29.597 1.00 0.00 C ATOM 0 H ALA A 65 -10.237 5.499 -27.208 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.537 6.079 -29.326 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.620 5.992 -30.658 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.526 4.663 -29.478 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.569 6.068 -29.155 1.00 0.00 H new ATOM 1015 N SER A 66 -10.384 8.614 -28.458 1.00 0.00 N ATOM 1016 CA SER A 66 -10.526 10.038 -28.622 1.00 0.00 C ATOM 1017 C SER A 66 -9.315 10.779 -28.026 1.00 0.00 C ATOM 1018 O SER A 66 -9.050 11.931 -28.361 1.00 0.00 O ATOM 1019 CB SER A 66 -11.813 10.476 -27.959 1.00 0.00 C ATOM 1020 OG SER A 66 -12.911 9.692 -28.442 1.00 0.00 O ATOM 0 H SER A 66 -11.013 8.201 -27.770 1.00 0.00 H new ATOM 0 HA SER A 66 -10.565 10.284 -29.683 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.728 10.369 -26.878 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.994 11.532 -28.161 1.00 0.00 H new ATOM 0 HG SER A 66 -13.738 9.983 -28.005 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.545 10.076 -27.207 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.402 10.653 -26.571 1.00 0.00 C ATOM 1028 C GLU A 67 -6.229 10.568 -27.505 1.00 0.00 C ATOM 1029 O GLU A 67 -5.394 11.462 -27.537 1.00 0.00 O ATOM 1030 CB GLU A 67 -7.108 9.949 -25.258 1.00 0.00 C ATOM 1031 CG GLU A 67 -8.224 10.079 -24.238 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.480 11.511 -23.830 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -9.310 12.197 -24.467 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.869 11.966 -22.853 1.00 0.00 O ATOM 0 H GLU A 67 -8.706 9.096 -26.975 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.601 11.700 -26.342 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.927 8.892 -25.454 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.190 10.356 -24.834 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.139 9.655 -24.651 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.972 9.494 -23.354 1.00 0.00 H new ATOM 1041 N ILE A 68 -6.164 9.470 -28.271 1.00 0.00 N ATOM 1042 CA ILE A 68 -5.143 9.344 -29.320 1.00 0.00 C ATOM 1043 C ILE A 68 -5.330 10.482 -30.283 1.00 0.00 C ATOM 1044 O ILE A 68 -4.371 11.125 -30.692 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.229 8.036 -30.145 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.664 6.859 -29.285 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.884 7.758 -30.797 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.447 5.511 -29.890 1.00 0.00 C ATOM 0 H ILE A 68 -6.793 8.671 -28.187 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.178 9.345 -28.813 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.986 8.166 -30.919 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.127 6.904 -28.338 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.724 6.970 -29.056 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.944 6.837 -31.378 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.621 8.586 -31.456 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.121 7.651 -30.026 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.790 4.742 -29.198 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.007 5.436 -30.822 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.385 5.370 -30.092 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.593 10.741 -30.624 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.935 11.855 -31.475 1.00 0.00 C ATOM 1062 C GLU A 69 -6.408 13.137 -30.882 1.00 0.00 C ATOM 1063 O GLU A 69 -5.711 13.857 -31.546 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.439 11.977 -31.681 1.00 0.00 C ATOM 1065 CG GLU A 69 -9.044 10.871 -32.493 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.540 10.980 -32.594 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.037 11.878 -33.310 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.255 10.171 -31.970 1.00 0.00 O ATOM 0 H GLU A 69 -7.391 10.185 -30.317 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.475 11.673 -32.447 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.926 12.004 -30.706 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.651 12.928 -32.170 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.614 10.883 -33.495 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.783 9.912 -32.046 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.713 13.372 -29.609 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.292 14.592 -28.879 1.00 0.00 C ATOM 1077 C ASP A 70 -4.798 14.804 -28.982 1.00 0.00 C ATOM 1078 O ASP A 70 -4.334 15.911 -29.302 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.715 14.510 -27.412 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.357 15.744 -26.611 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.936 16.822 -26.868 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.498 15.659 -25.695 1.00 0.00 O ATOM 0 H ASP A 70 -7.261 12.726 -29.041 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.787 15.446 -29.342 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.792 14.353 -27.361 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.244 13.640 -26.954 1.00 0.00 H new ATOM 1087 N LEU A 71 -4.069 13.725 -28.771 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.628 13.694 -28.900 1.00 0.00 C ATOM 1089 C LEU A 71 -2.195 14.188 -30.267 1.00 0.00 C ATOM 1090 O LEU A 71 -1.351 15.060 -30.379 1.00 0.00 O ATOM 1091 CB LEU A 71 -2.116 12.264 -28.694 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.456 11.947 -27.359 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.434 12.089 -26.208 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.862 10.555 -27.402 1.00 0.00 C ATOM 0 H LEU A 71 -4.472 12.828 -28.500 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.206 14.351 -28.140 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.956 11.582 -28.826 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.400 12.044 -29.486 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.656 12.667 -27.188 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.929 11.855 -25.271 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.809 13.112 -26.173 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.268 11.402 -26.352 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.390 10.331 -26.445 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.651 9.829 -27.597 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.116 10.502 -28.195 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.824 13.674 -31.290 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.453 13.983 -32.654 1.00 0.00 C ATOM 1108 C ILE A 72 -2.972 15.370 -33.066 1.00 0.00 C ATOM 1109 O ILE A 72 -2.298 16.105 -33.794 1.00 0.00 O ATOM 1110 CB ILE A 72 -3.006 12.906 -33.610 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.439 11.546 -33.235 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.662 13.229 -35.062 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.318 10.415 -33.646 1.00 0.00 C ATOM 0 H ILE A 72 -3.609 13.028 -31.206 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.365 13.994 -32.717 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.092 12.889 -33.514 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.460 11.426 -33.700 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.286 11.507 -32.156 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.065 12.453 -35.713 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.096 14.191 -35.333 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.579 13.274 -35.178 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.859 9.472 -33.351 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.289 10.514 -33.161 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.450 10.431 -34.728 1.00 0.00 H new ATOM 1125 N ARG A 73 -4.143 15.740 -32.566 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.743 17.019 -32.910 1.00 0.00 C ATOM 1127 C ARG A 73 -3.870 18.163 -32.400 1.00 0.00 C ATOM 1128 O ARG A 73 -3.761 19.211 -33.038 1.00 0.00 O ATOM 1129 CB ARG A 73 -6.176 17.164 -32.377 1.00 0.00 C ATOM 1130 CG ARG A 73 -7.141 16.085 -32.856 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.421 16.079 -34.360 1.00 0.00 C ATOM 1132 NE ARG A 73 -8.052 17.324 -34.846 1.00 0.00 N ATOM 1133 CZ ARG A 73 -8.326 17.607 -36.144 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -8.156 16.679 -37.088 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -8.819 18.802 -36.472 1.00 0.00 N ATOM 0 H ARG A 73 -4.695 15.173 -31.922 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.804 17.062 -33.997 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.148 17.151 -31.287 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.564 18.138 -32.674 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.740 15.111 -32.574 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.087 16.206 -32.328 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.485 15.922 -34.895 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.069 15.235 -34.598 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.301 18.026 -34.150 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.818 15.750 -36.835 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.364 16.898 -38.062 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.989 19.500 -35.748 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.026 19.018 -37.447 1.00 0.00 H new ATOM 1149 N LEU A 74 -3.211 17.945 -31.258 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.311 18.951 -30.720 1.00 0.00 C ATOM 1151 C LEU A 74 -0.950 18.925 -31.447 1.00 0.00 C ATOM 1152 O LEU A 74 -0.195 19.895 -31.411 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.181 18.849 -29.169 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.491 17.610 -28.561 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.025 17.762 -28.536 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.021 17.332 -27.171 1.00 0.00 C ATOM 0 H LEU A 74 -3.286 17.094 -30.701 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.748 19.930 -30.914 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.640 19.730 -28.824 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.185 18.907 -28.749 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.725 16.759 -29.201 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.473 16.869 -28.101 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.394 17.894 -29.553 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.294 18.632 -27.936 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.522 16.455 -26.760 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.829 18.192 -26.530 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.094 17.149 -27.221 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.643 17.815 -32.128 1.00 0.00 N ATOM 1169 CA LYS A 75 0.584 17.713 -32.913 1.00 0.00 C ATOM 1170 C LYS A 75 0.477 18.538 -34.177 1.00 0.00 C ATOM 1171 O LYS A 75 1.475 18.974 -34.733 1.00 0.00 O ATOM 1172 CB LYS A 75 0.924 16.270 -33.270 1.00 0.00 C ATOM 1173 CG LYS A 75 1.075 15.369 -32.077 1.00 0.00 C ATOM 1174 CD LYS A 75 2.066 15.913 -31.087 1.00 0.00 C ATOM 1175 CE LYS A 75 2.211 15.002 -29.880 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.222 15.499 -28.933 1.00 0.00 N ATOM 0 H LYS A 75 -1.228 16.979 -32.149 1.00 0.00 H new ATOM 0 HA LYS A 75 1.390 18.101 -32.290 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.143 15.872 -33.917 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.851 16.256 -33.844 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.107 15.244 -31.591 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.396 14.381 -32.406 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.035 16.033 -31.571 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.748 16.903 -30.760 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.250 14.916 -29.373 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.486 14.001 -30.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.290 14.849 -28.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.145 15.557 -29.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.947 16.444 -28.596 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.741 18.776 -34.609 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.984 19.588 -35.782 1.00 0.00 C ATOM 1192 C CYS A 76 -0.653 21.046 -35.490 1.00 0.00 C ATOM 1193 O CYS A 76 -0.418 21.828 -36.391 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.424 19.452 -36.220 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.867 20.380 -37.713 1.00 0.00 S ATOM 0 H CYS A 76 -1.585 18.416 -34.163 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.340 19.241 -36.590 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.637 18.397 -36.391 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.068 19.779 -35.404 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.052 21.383 -37.858 1.00 0.00 H new ATOM 1201 N LEU A 77 -0.596 21.380 -34.210 1.00 0.00 N ATOM 1202 CA LEU A 77 -0.291 22.729 -33.773 1.00 0.00 C ATOM 1203 C LEU A 77 1.209 22.946 -33.839 1.00 0.00 C ATOM 1204 O LEU A 77 1.693 24.072 -33.782 1.00 0.00 O ATOM 1205 CB LEU A 77 -0.766 22.938 -32.333 1.00 0.00 C ATOM 1206 CG LEU A 77 -2.214 22.546 -32.031 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -2.538 22.799 -30.566 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -3.191 23.286 -32.934 1.00 0.00 C ATOM 0 H LEU A 77 -0.760 20.723 -33.447 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.802 23.439 -34.423 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.113 22.369 -31.672 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.637 23.990 -32.080 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.321 21.480 -32.233 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.572 22.515 -30.368 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.872 22.207 -29.939 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.403 23.857 -30.341 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.210 22.984 -32.692 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.085 24.360 -32.782 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.978 23.045 -33.975 1.00 0.00 H new ATOM 1220 N ASP A 78 1.938 21.852 -33.947 1.00 0.00 N ATOM 1221 CA ASP A 78 3.389 21.893 -34.007 1.00 0.00 C ATOM 1222 C ASP A 78 3.783 22.187 -35.419 1.00 0.00 C ATOM 1223 O ASP A 78 4.663 22.999 -35.691 1.00 0.00 O ATOM 1224 CB ASP A 78 3.968 20.542 -33.614 1.00 0.00 C ATOM 1225 CG ASP A 78 5.444 20.605 -33.295 1.00 0.00 C ATOM 1226 OD1 ASP A 78 5.789 20.890 -32.130 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.288 20.331 -34.178 1.00 0.00 O ATOM 0 H ASP A 78 1.544 20.912 -33.996 1.00 0.00 H new ATOM 0 HA ASP A 78 3.765 22.655 -33.324 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.430 20.160 -32.746 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.807 19.833 -34.426 1.00 0.00 H new ATOM 1232 N LEU A 79 3.093 21.539 -36.319 1.00 0.00 N ATOM 1233 CA LEU A 79 3.336 21.702 -37.735 1.00 0.00 C ATOM 1234 C LEU A 79 2.487 22.899 -38.272 1.00 0.00 C ATOM 1235 O LEU A 79 1.783 23.529 -37.484 1.00 0.00 O ATOM 1236 CB LEU A 79 3.046 20.343 -38.422 1.00 0.00 C ATOM 1237 CG LEU A 79 1.624 19.798 -38.326 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.697 20.408 -39.356 1.00 0.00 C ATOM 1239 CD2 LEU A 79 1.618 18.306 -38.421 1.00 0.00 C ATOM 0 H LEU A 79 2.345 20.882 -36.095 1.00 0.00 H new ATOM 0 HA LEU A 79 4.372 21.960 -37.957 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.300 20.438 -39.478 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.721 19.600 -37.998 1.00 0.00 H new ATOM 0 HG LEU A 79 1.241 20.087 -37.347 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.301 19.985 -39.243 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.652 21.487 -39.211 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.072 20.191 -40.356 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.593 17.941 -38.350 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.047 18.000 -39.375 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.210 17.887 -37.607 1.00 0.00 H new ATOM 1251 N PRO A 80 2.564 23.263 -39.593 1.00 0.00 N ATOM 1252 CA PRO A 80 1.780 24.383 -40.139 1.00 0.00 C ATOM 1253 C PRO A 80 0.264 24.168 -40.003 1.00 0.00 C ATOM 1254 O PRO A 80 -0.396 24.825 -39.188 1.00 0.00 O ATOM 1255 CB PRO A 80 2.171 24.445 -41.624 1.00 0.00 C ATOM 1256 CG PRO A 80 3.393 23.612 -41.761 1.00 0.00 C ATOM 1257 CD PRO A 80 3.424 22.648 -40.617 1.00 0.00 C ATOM 0 HA PRO A 80 1.993 25.304 -39.596 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.367 24.066 -42.255 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.362 25.472 -41.935 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.385 23.077 -42.711 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.285 24.239 -41.756 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.050 21.668 -40.913 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.439 22.503 -40.248 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.267 23.238 -40.783 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.691 22.901 -40.794 1.00 0.00 C ATOM 1267 C ASP A 81 -1.918 21.843 -41.828 1.00 0.00 C ATOM 1268 O ASP A 81 -1.128 21.716 -42.776 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.611 24.115 -41.111 1.00 0.00 C ATOM 1270 CG ASP A 81 -2.466 24.653 -42.524 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -1.534 25.473 -42.782 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -3.256 24.265 -43.405 1.00 0.00 O ATOM 0 H ASP A 81 0.285 22.685 -41.438 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.951 22.558 -39.792 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.649 23.822 -40.950 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.393 24.916 -40.405 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.938 21.064 -41.616 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.377 20.031 -42.515 1.00 0.00 C ATOM 1279 C ILE A 82 -4.744 19.557 -42.083 1.00 0.00 C ATOM 1280 O ILE A 82 -4.918 19.111 -40.953 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.390 18.812 -42.611 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.050 17.619 -43.343 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.840 18.420 -41.248 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.129 16.449 -43.602 1.00 0.00 C ATOM 0 H ILE A 82 -3.513 21.132 -40.776 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.410 20.467 -43.513 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.534 19.124 -43.209 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.898 17.272 -42.753 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.447 17.969 -44.296 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.162 17.574 -41.359 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.300 19.263 -40.817 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.663 18.142 -40.590 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.678 15.661 -44.118 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.293 16.774 -44.221 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.751 16.066 -42.654 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.721 19.728 -42.935 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.045 19.213 -42.659 1.00 0.00 C ATOM 1298 C ASP A 83 -7.052 17.713 -42.843 1.00 0.00 C ATOM 1299 O ASP A 83 -7.114 17.198 -43.970 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.120 19.876 -43.535 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.508 19.289 -43.308 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.139 19.575 -42.252 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.005 18.531 -44.172 1.00 0.00 O ATOM 0 H ASP A 83 -5.630 20.218 -43.825 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.292 19.454 -41.625 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.144 20.946 -43.327 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.849 19.762 -44.585 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.893 17.023 -41.765 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.914 15.602 -41.778 1.00 0.00 C ATOM 1310 C PHE A 84 -7.970 15.147 -40.829 1.00 0.00 C ATOM 1311 O PHE A 84 -8.293 15.852 -39.863 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.527 14.989 -41.395 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.045 15.266 -39.975 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -5.492 14.511 -38.891 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -4.144 16.266 -39.741 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -5.038 14.772 -37.612 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -3.683 16.536 -38.468 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.130 15.789 -37.402 1.00 0.00 C ATOM 0 H PHE A 84 -6.744 17.434 -40.843 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.133 15.258 -42.789 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.577 13.909 -41.537 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.779 15.368 -42.092 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.201 13.713 -39.053 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.785 16.858 -40.570 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.393 14.182 -36.780 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.972 17.333 -38.309 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.771 15.998 -36.405 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.526 14.023 -41.087 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.472 13.462 -40.181 1.00 0.00 C ATOM 1330 C ASP A 85 -9.095 12.035 -39.953 1.00 0.00 C ATOM 1331 O ASP A 85 -8.905 11.274 -40.913 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.897 13.581 -40.699 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.908 13.220 -39.638 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.197 14.069 -38.767 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.437 12.098 -39.659 1.00 0.00 O ATOM 0 H ASP A 85 -8.345 13.465 -41.922 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.448 14.014 -39.241 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.076 14.600 -41.041 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.026 12.928 -41.562 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.928 11.669 -38.722 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.474 10.344 -38.404 1.00 0.00 C ATOM 1342 C LEU A 86 -9.573 9.556 -37.741 1.00 0.00 C ATOM 1343 O LEU A 86 -10.452 10.117 -37.094 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.247 10.359 -37.472 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.505 10.710 -35.986 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.320 10.399 -35.142 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.901 12.157 -35.789 1.00 0.00 C ATOM 0 H LEU A 86 -9.099 12.268 -37.915 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.189 9.876 -39.346 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.777 9.376 -37.513 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.526 11.073 -37.870 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.343 10.088 -35.673 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.534 10.657 -34.105 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.093 9.335 -35.212 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.464 10.977 -35.490 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.069 12.347 -34.729 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.103 12.805 -36.152 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.816 12.363 -36.344 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.518 8.283 -37.909 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.410 7.381 -37.272 1.00 0.00 C ATOM 1361 C ASN A 87 -9.591 6.378 -36.474 1.00 0.00 C ATOM 1362 O ASN A 87 -8.832 5.590 -37.053 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.262 6.662 -38.324 1.00 0.00 C ATOM 1364 CG ASN A 87 -12.187 5.635 -37.723 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -13.313 5.933 -37.346 1.00 0.00 O ATOM 1366 ND2 ASN A 87 -11.720 4.427 -37.634 1.00 0.00 N ATOM 0 H ASN A 87 -8.832 7.827 -38.510 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.080 7.921 -36.603 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.850 7.397 -38.873 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.606 6.175 -39.046 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.297 3.685 -37.238 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.776 4.220 -37.960 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.681 6.455 -35.173 1.00 0.00 N ATOM 1374 CA ILE A 88 -9.014 5.512 -34.300 1.00 0.00 C ATOM 1375 C ILE A 88 -9.852 4.245 -34.177 1.00 0.00 C ATOM 1376 O ILE A 88 -11.079 4.311 -34.110 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.802 6.097 -32.887 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.905 7.340 -32.934 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.190 5.038 -31.969 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.505 7.053 -33.395 1.00 0.00 C ATOM 0 H ILE A 88 -10.217 7.171 -34.684 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.041 5.290 -34.738 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.773 6.396 -32.491 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.354 8.077 -33.600 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.867 7.788 -31.941 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.044 5.459 -30.974 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.860 4.181 -31.905 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.229 4.718 -32.372 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.928 7.978 -33.403 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.037 6.340 -32.716 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.532 6.633 -34.400 1.00 0.00 H new ATOM 1392 N MET A 89 -9.201 3.123 -34.181 1.00 0.00 N ATOM 1393 CA MET A 89 -9.824 1.849 -33.990 1.00 0.00 C ATOM 1394 C MET A 89 -8.788 0.956 -33.341 1.00 0.00 C ATOM 1395 O MET A 89 -7.628 1.305 -33.298 1.00 0.00 O ATOM 1396 CB MET A 89 -10.276 1.249 -35.341 1.00 0.00 C ATOM 1397 CG MET A 89 -9.133 0.745 -36.221 1.00 0.00 C ATOM 1398 SD MET A 89 -9.660 0.242 -37.871 1.00 0.00 S ATOM 1399 CE MET A 89 -10.011 1.811 -38.618 1.00 0.00 C ATOM 0 H MET A 89 -8.192 3.066 -34.321 1.00 0.00 H new ATOM 0 HA MET A 89 -10.714 1.943 -33.368 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.961 0.423 -35.147 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.836 2.005 -35.891 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.382 1.530 -36.312 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.652 -0.100 -35.729 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.760 1.774 -39.678 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.071 2.039 -38.504 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.419 2.586 -38.132 1.00 0.00 H new ATOM 1409 N THR A 90 -9.192 -0.121 -32.795 1.00 0.00 N ATOM 1410 CA THR A 90 -8.282 -1.106 -32.287 1.00 0.00 C ATOM 1411 C THR A 90 -7.672 -1.900 -33.444 1.00 0.00 C ATOM 1412 O THR A 90 -8.321 -2.083 -34.471 1.00 0.00 O ATOM 1413 CB THR A 90 -9.066 -2.027 -31.368 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.423 -2.028 -31.831 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.026 -1.523 -29.948 1.00 0.00 C ATOM 0 H THR A 90 -10.176 -0.362 -32.679 1.00 0.00 H new ATOM 0 HA THR A 90 -7.468 -0.631 -31.740 1.00 0.00 H new ATOM 0 HB THR A 90 -8.636 -3.028 -31.383 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.730 -2.952 -31.942 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.594 -2.197 -29.307 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.992 -1.481 -29.606 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.464 -0.526 -29.903 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.431 -2.343 -33.282 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.722 -3.155 -34.297 1.00 0.00 C ATOM 1425 C VAL A 91 -6.571 -4.366 -34.723 1.00 0.00 C ATOM 1426 O VAL A 91 -6.719 -4.660 -35.920 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.366 -3.657 -33.734 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.686 -4.646 -34.675 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.430 -2.509 -33.465 1.00 0.00 C ATOM 0 H VAL A 91 -5.876 -2.156 -32.447 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.546 -2.522 -35.166 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.592 -4.168 -32.798 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.741 -4.971 -34.240 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.333 -5.511 -34.824 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.498 -4.165 -35.635 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.488 -2.892 -33.071 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.242 -1.968 -34.392 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.881 -1.835 -32.736 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.166 -5.010 -33.741 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.006 -6.187 -33.954 1.00 0.00 C ATOM 1441 C ASP A 92 -9.232 -5.840 -34.812 1.00 0.00 C ATOM 1442 O ASP A 92 -9.657 -6.616 -35.661 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.435 -6.754 -32.602 1.00 0.00 C ATOM 1444 CG ASP A 92 -9.255 -8.012 -32.718 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -8.701 -9.059 -33.096 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.449 -7.993 -32.358 1.00 0.00 O ATOM 0 H ASP A 92 -7.084 -4.735 -32.762 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.431 -6.940 -34.493 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.547 -6.961 -32.004 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.012 -6.000 -32.066 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.724 -4.626 -34.645 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.894 -4.150 -35.383 1.00 0.00 C ATOM 1453 C ASP A 93 -10.488 -3.542 -36.699 1.00 0.00 C ATOM 1454 O ASP A 93 -11.316 -3.201 -37.534 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.724 -3.166 -34.562 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.524 -3.844 -33.476 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -11.968 -4.115 -32.367 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -13.722 -4.120 -33.692 1.00 0.00 O ATOM 0 H ASP A 93 -9.331 -3.941 -33.999 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.524 -5.016 -35.584 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.062 -2.426 -34.112 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.402 -2.627 -35.224 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.221 -3.417 -36.888 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.699 -2.936 -38.115 1.00 0.00 C ATOM 1465 C TYR A 94 -8.543 -4.070 -39.086 1.00 0.00 C ATOM 1466 O TYR A 94 -9.063 -4.033 -40.202 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.375 -2.236 -37.883 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.609 -1.899 -39.132 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.998 -0.860 -39.963 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.481 -2.628 -39.472 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.279 -0.563 -41.096 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.758 -2.336 -40.599 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.158 -1.305 -41.407 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.437 -1.004 -42.529 1.00 0.00 O ATOM 0 H TYR A 94 -8.514 -3.648 -36.190 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.395 -2.213 -38.540 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.559 -1.316 -37.328 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.752 -2.869 -37.252 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.874 -0.278 -39.718 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.165 -3.442 -38.837 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.590 0.247 -41.739 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.880 -2.914 -40.848 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.678 -1.619 -42.605 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.848 -5.085 -38.653 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.571 -6.231 -39.491 1.00 0.00 C ATOM 1486 C PHE A 95 -8.784 -7.072 -39.808 1.00 0.00 C ATOM 1487 O PHE A 95 -8.739 -7.924 -40.666 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.459 -7.064 -38.941 1.00 0.00 C ATOM 1489 CG PHE A 95 -5.115 -6.444 -39.163 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.630 -6.270 -40.451 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.341 -6.023 -38.101 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.402 -5.688 -40.669 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -3.107 -5.444 -38.316 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.637 -5.274 -39.604 1.00 0.00 C ATOM 0 H PHE A 95 -7.456 -5.147 -37.713 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.247 -5.814 -40.445 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.615 -7.213 -37.873 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.483 -8.049 -39.407 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.223 -6.595 -41.293 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.705 -6.148 -37.092 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.039 -5.556 -41.678 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.508 -5.123 -37.476 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.673 -4.818 -39.774 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.843 -6.856 -39.098 1.00 0.00 N ATOM 1505 CA ARG A 96 -11.113 -7.490 -39.436 1.00 0.00 C ATOM 1506 C ARG A 96 -11.650 -6.946 -40.772 1.00 0.00 C ATOM 1507 O ARG A 96 -12.551 -7.500 -41.358 1.00 0.00 O ATOM 1508 CB ARG A 96 -12.143 -7.366 -38.277 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.545 -5.951 -37.882 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.543 -5.296 -38.842 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.889 -5.871 -38.751 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.637 -6.271 -39.800 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.083 -6.472 -40.991 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.918 -6.545 -39.631 1.00 0.00 N ATOM 0 H ARG A 96 -9.873 -6.250 -38.278 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.940 -8.558 -39.570 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.043 -7.912 -38.559 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.731 -7.863 -37.398 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.979 -5.973 -36.882 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.650 -5.332 -37.827 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.595 -4.228 -38.630 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.178 -5.400 -39.864 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.292 -5.977 -37.820 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.082 -6.324 -41.119 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.659 -6.774 -41.777 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.341 -6.454 -38.708 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.484 -6.847 -40.424 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.111 -5.818 -41.209 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.482 -5.231 -42.490 1.00 0.00 C ATOM 1530 C GLN A 97 -10.495 -5.720 -43.534 1.00 0.00 C ATOM 1531 O GLN A 97 -10.862 -6.119 -44.642 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.370 -3.707 -42.433 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.103 -3.042 -41.294 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.783 -1.569 -41.222 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -12.460 -0.725 -41.803 1.00 0.00 O ATOM 1536 NE2 GLN A 97 -10.726 -1.263 -40.549 1.00 0.00 N ATOM 0 H GLN A 97 -10.410 -5.287 -40.692 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.507 -5.515 -42.729 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.315 -3.440 -42.368 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.745 -3.298 -43.371 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.177 -3.177 -41.422 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.831 -3.522 -40.354 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.191 -1.994 -40.080 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.426 -0.290 -40.485 1.00 0.00 H new