USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=29 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 -141:sc= 0.751 USER MOD Set 1.2: A 55 ASN : amide:sc= 0 K(o=1.6,f=0.93!) USER MOD Set 1.3: A 56 SER OG : rot -102:sc= 1.02 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= 0 X(o=1.2,f=1.6) USER MOD Set 1.5: A 89 MET CE :methyl 149:sc= -0.146 (180deg=-0.0595) USER MOD Set 1.6: A 97 GLN :FLIP amide:sc= -0.0111 F(o=-0.31!,f=1.6) USER MOD Set 2.1: A 34 TYR OH : rot 126:sc= 0.956 USER MOD Set 2.2: A 40 SER OG : rot -40:sc= 1.8 USER MOD Set 2.3: A 51 GLN : amide:sc= -0.105 K(o=1.1,f=0.36) USER MOD Set 2.4: A 53 ASN : amide:sc= -1.55 K(o=1.1,f=-2.2!) USER MOD Set 3.1: A 10 ASN :FLIP amide:sc= -0.04 F(o=-1.3!,f=0.47) USER MOD Set 3.2: A 62 SER OG : rot -32:sc= 0.514 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -90:sc= 0.821 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -90:sc= 1.18 USER MOD Single : A 24 SER OG : rot 180:sc= 0.103 USER MOD Single : A 31 SER OG : rot 87:sc= 0.651 USER MOD Single : A 33 MET CE :methyl -115:sc= -4.65! (180deg=-5.35!) USER MOD Single : A 36 MET CE :methyl -168:sc= -0.592 (180deg=-1.02) 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 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 19:sc= 1.14 USER MOD Single : A 61 THR OG1 : rot 150:sc= -1.87! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 1.4 (180deg=0.427) USER MOD Single : A 76 CYS SG : rot 171:sc= -1.89 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.702 -2.095 -22.217 1.00 0.00 N ATOM 123 CA PHE A 9 -0.518 -1.372 -23.435 1.00 0.00 C ATOM 124 C PHE A 9 -1.362 -2.005 -24.500 1.00 0.00 C ATOM 125 O PHE A 9 -1.237 -3.199 -24.785 1.00 0.00 O ATOM 126 CB PHE A 9 0.960 -1.291 -23.840 1.00 0.00 C ATOM 127 CG PHE A 9 1.776 -0.380 -22.956 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.161 -0.771 -21.681 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.149 0.878 -23.404 1.00 0.00 C ATOM 130 CE1 PHE A 9 2.902 0.071 -20.874 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.892 1.725 -22.602 1.00 0.00 C ATOM 132 CZ PHE A 9 3.269 1.321 -21.336 1.00 0.00 C ATOM 0 HA PHE A 9 -0.838 -0.340 -23.292 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.391 -2.292 -23.814 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.028 -0.941 -24.870 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.878 -1.747 -21.315 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.856 1.201 -24.392 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.194 -0.247 -19.884 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.177 2.701 -22.965 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.850 1.981 -20.708 1.00 0.00 H new ATOM 142 N ASN A 10 -2.261 -1.230 -25.046 1.00 0.00 N ATOM 143 CA ASN A 10 -3.164 -1.724 -26.057 1.00 0.00 C ATOM 144 C ASN A 10 -2.543 -1.423 -27.393 1.00 0.00 C ATOM 145 O ASN A 10 -1.433 -0.875 -27.455 1.00 0.00 O ATOM 146 CB ASN A 10 -4.569 -1.059 -25.973 1.00 0.00 C ATOM 147 CG ASN A 10 -5.381 -1.317 -24.707 1.00 0.00 C ATOM 148 OD1 ASN A 10 -4.746 -1.310 -23.578 1.00 0.00 O flip ATOM 149 ND2 ASN A 10 -6.603 -1.442 -24.762 1.00 0.00 N flip ATOM 0 H ASN A 10 -2.390 -0.247 -24.807 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.314 -2.793 -25.909 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.441 0.018 -26.080 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.156 -1.397 -26.827 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.075 -1.444 -25.666 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.144 -1.544 -23.904 1.00 0.00 H new ATOM 156 N THR A 11 -3.209 -1.752 -28.443 1.00 0.00 N ATOM 157 CA THR A 11 -2.678 -1.502 -29.731 1.00 0.00 C ATOM 158 C THR A 11 -3.795 -0.970 -30.665 1.00 0.00 C ATOM 159 O THR A 11 -4.863 -1.599 -30.857 1.00 0.00 O ATOM 160 CB THR A 11 -1.924 -2.766 -30.268 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.200 -2.477 -31.460 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.853 -3.955 -30.491 1.00 0.00 C ATOM 0 H THR A 11 -4.127 -2.197 -28.432 1.00 0.00 H new ATOM 0 HA THR A 11 -1.924 -0.716 -29.688 1.00 0.00 H new ATOM 0 HB THR A 11 -1.216 -3.046 -29.488 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.740 -3.286 -31.768 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.277 -4.802 -30.863 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.330 -4.226 -29.549 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.617 -3.688 -31.221 1.00 0.00 H new ATOM 170 N TYR A 12 -3.585 0.207 -31.178 1.00 0.00 N ATOM 171 CA TYR A 12 -4.568 0.879 -31.986 1.00 0.00 C ATOM 172 C TYR A 12 -4.038 1.171 -33.355 1.00 0.00 C ATOM 173 O TYR A 12 -2.842 1.120 -33.587 1.00 0.00 O ATOM 174 CB TYR A 12 -4.992 2.188 -31.347 1.00 0.00 C ATOM 175 CG TYR A 12 -5.827 2.078 -30.097 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.220 1.967 -30.157 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.229 2.146 -28.849 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.973 1.931 -28.994 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.971 2.096 -27.696 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.338 1.994 -27.765 1.00 0.00 C ATOM 181 OH TYR A 12 -8.074 1.975 -26.604 1.00 0.00 O ATOM 0 H TYR A 12 -2.721 0.734 -31.048 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.425 0.210 -32.063 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.095 2.760 -31.111 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.552 2.763 -32.084 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.712 1.909 -31.116 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.155 2.240 -28.782 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.049 1.854 -29.046 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.480 2.137 -26.735 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.471 2.026 -25.833 1.00 0.00 H new ATOM 191 N VAL A 13 -4.938 1.489 -34.227 1.00 0.00 N ATOM 192 CA VAL A 13 -4.670 1.850 -35.591 1.00 0.00 C ATOM 193 C VAL A 13 -5.394 3.161 -35.927 1.00 0.00 C ATOM 194 O VAL A 13 -6.519 3.388 -35.490 1.00 0.00 O ATOM 195 CB VAL A 13 -5.105 0.709 -36.567 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.204 1.198 -37.989 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.091 -0.400 -36.532 1.00 0.00 C ATOM 0 H VAL A 13 -5.932 1.507 -34.001 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.597 1.996 -35.713 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.084 0.360 -36.240 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.509 0.376 -38.636 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.941 1.999 -38.048 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.234 1.574 -38.313 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.397 -1.194 -37.213 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.119 -0.014 -36.838 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.021 -0.797 -35.519 1.00 0.00 H new ATOM 207 N VAL A 14 -4.748 4.014 -36.670 1.00 0.00 N ATOM 208 CA VAL A 14 -5.331 5.252 -37.071 1.00 0.00 C ATOM 209 C VAL A 14 -5.321 5.367 -38.568 1.00 0.00 C ATOM 210 O VAL A 14 -4.311 5.152 -39.208 1.00 0.00 O ATOM 211 CB VAL A 14 -4.652 6.479 -36.420 1.00 0.00 C ATOM 212 CG1 VAL A 14 -3.145 6.477 -36.642 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.280 7.777 -36.933 1.00 0.00 C ATOM 0 H VAL A 14 -3.799 3.865 -37.013 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.361 5.250 -36.716 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.819 6.416 -35.345 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.706 7.356 -36.169 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.714 5.576 -36.205 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.935 6.498 -37.711 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.789 8.629 -36.463 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.157 7.838 -38.014 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.342 7.789 -36.687 1.00 0.00 H new ATOM 223 N SER A 15 -6.437 5.665 -39.096 1.00 0.00 N ATOM 224 CA SER A 15 -6.620 5.811 -40.496 1.00 0.00 C ATOM 225 C SER A 15 -6.758 7.291 -40.800 1.00 0.00 C ATOM 226 O SER A 15 -7.580 7.961 -40.197 1.00 0.00 O ATOM 227 CB SER A 15 -7.876 5.044 -40.865 1.00 0.00 C ATOM 228 OG SER A 15 -7.748 3.704 -40.445 1.00 0.00 O ATOM 0 H SER A 15 -7.286 5.822 -38.553 1.00 0.00 H new ATOM 0 HA SER A 15 -5.781 5.421 -41.072 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.746 5.502 -40.395 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.037 5.085 -41.942 1.00 0.00 H new ATOM 0 HG SER A 15 -8.138 3.111 -41.121 1.00 0.00 H new ATOM 234 N PHE A 16 -5.910 7.813 -41.646 1.00 0.00 N ATOM 235 CA PHE A 16 -5.969 9.223 -41.977 1.00 0.00 C ATOM 236 C PHE A 16 -6.652 9.499 -43.299 1.00 0.00 C ATOM 237 O PHE A 16 -6.466 8.763 -44.281 1.00 0.00 O ATOM 238 CB PHE A 16 -4.587 9.871 -41.961 1.00 0.00 C ATOM 239 CG PHE A 16 -4.055 10.121 -40.594 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.348 9.153 -39.914 1.00 0.00 C ATOM 241 CD2 PHE A 16 -4.272 11.338 -39.984 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.871 9.400 -38.652 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.798 11.585 -38.722 1.00 0.00 C ATOM 244 CZ PHE A 16 -3.098 10.618 -38.054 1.00 0.00 C ATOM 0 H PHE A 16 -5.172 7.292 -42.119 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.579 9.674 -41.194 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.890 9.230 -42.500 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.633 10.817 -42.501 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.168 8.194 -40.378 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.822 12.106 -40.507 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.316 8.637 -38.127 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.977 12.542 -38.255 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.724 10.810 -37.059 1.00 0.00 H new ATOM 254 N ASP A 17 -7.432 10.547 -43.306 1.00 0.00 N ATOM 255 CA ASP A 17 -8.102 11.059 -44.487 1.00 0.00 C ATOM 256 C ASP A 17 -7.761 12.501 -44.674 1.00 0.00 C ATOM 257 O ASP A 17 -7.904 13.317 -43.744 1.00 0.00 O ATOM 258 CB ASP A 17 -9.619 10.919 -44.417 1.00 0.00 C ATOM 259 CG ASP A 17 -10.124 9.573 -44.846 1.00 0.00 C ATOM 260 OD1 ASP A 17 -10.106 8.628 -44.043 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.608 9.445 -45.994 1.00 0.00 O ATOM 0 H ASP A 17 -7.629 11.090 -42.466 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.753 10.462 -45.329 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.945 11.110 -43.395 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.074 11.685 -45.045 1.00 0.00 H new ATOM 266 N TYR A 18 -7.289 12.813 -45.844 1.00 0.00 N ATOM 267 CA TYR A 18 -6.910 14.146 -46.218 1.00 0.00 C ATOM 268 C TYR A 18 -6.724 14.166 -47.722 1.00 0.00 C ATOM 269 O TYR A 18 -6.342 13.135 -48.310 1.00 0.00 O ATOM 270 CB TYR A 18 -5.594 14.581 -45.495 1.00 0.00 C ATOM 271 CG TYR A 18 -4.386 13.691 -45.771 1.00 0.00 C ATOM 272 CD1 TYR A 18 -4.163 12.542 -45.024 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.480 14.000 -46.779 1.00 0.00 C ATOM 274 CE1 TYR A 18 -3.081 11.726 -45.277 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.394 13.189 -47.035 1.00 0.00 C ATOM 276 CZ TYR A 18 -2.201 12.054 -46.282 1.00 0.00 C ATOM 277 OH TYR A 18 -1.127 11.236 -46.543 1.00 0.00 O ATOM 0 H TYR A 18 -7.152 12.128 -46.587 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.686 14.851 -45.920 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.352 15.601 -45.795 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.776 14.599 -44.420 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.849 12.283 -44.231 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.629 14.890 -47.372 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.925 10.834 -44.689 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.699 13.444 -47.822 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.362 11.516 -45.998 1.00 0.00 H new ATOM 287 N PRO A 19 -7.041 15.277 -48.390 1.00 0.00 N ATOM 288 CA PRO A 19 -6.785 15.402 -49.806 1.00 0.00 C ATOM 289 C PRO A 19 -5.289 15.350 -50.076 1.00 0.00 C ATOM 290 O PRO A 19 -4.476 15.809 -49.249 1.00 0.00 O ATOM 291 CB PRO A 19 -7.355 16.770 -50.193 1.00 0.00 C ATOM 292 CG PRO A 19 -7.582 17.501 -48.914 1.00 0.00 C ATOM 293 CD PRO A 19 -7.701 16.468 -47.826 1.00 0.00 C ATOM 0 HA PRO A 19 -7.239 14.595 -50.381 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.662 17.314 -50.835 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.286 16.661 -50.750 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.757 18.183 -48.709 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.487 18.105 -48.972 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.214 16.797 -46.908 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.743 16.267 -47.579 1.00 0.00 H new ATOM 301 N SER A 20 -4.930 14.843 -51.225 1.00 0.00 N ATOM 302 CA SER A 20 -3.550 14.640 -51.606 1.00 0.00 C ATOM 303 C SER A 20 -2.786 15.972 -51.729 1.00 0.00 C ATOM 304 O SER A 20 -1.564 15.992 -51.746 1.00 0.00 O ATOM 305 CB SER A 20 -3.508 13.842 -52.900 1.00 0.00 C ATOM 306 OG SER A 20 -4.255 12.633 -52.753 1.00 0.00 O ATOM 0 H SER A 20 -5.598 14.553 -51.939 1.00 0.00 H new ATOM 0 HA SER A 20 -3.044 14.076 -50.822 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.919 14.436 -53.717 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.475 13.612 -53.161 1.00 0.00 H new ATOM 0 HG SER A 20 -4.225 12.126 -53.591 1.00 0.00 H new ATOM 312 N SER A 21 -3.523 17.067 -51.782 1.00 0.00 N ATOM 313 CA SER A 21 -2.961 18.400 -51.800 1.00 0.00 C ATOM 314 C SER A 21 -2.063 18.643 -50.564 1.00 0.00 C ATOM 315 O SER A 21 -1.047 19.327 -50.648 1.00 0.00 O ATOM 316 CB SER A 21 -4.103 19.393 -51.806 1.00 0.00 C ATOM 317 OG SER A 21 -5.046 19.035 -52.798 1.00 0.00 O ATOM 0 H SER A 21 -4.542 17.052 -51.814 1.00 0.00 H new ATOM 0 HA SER A 21 -2.342 18.519 -52.689 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.582 19.415 -50.827 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.723 20.396 -51.998 1.00 0.00 H new ATOM 0 HG SER A 21 -5.784 19.680 -52.796 1.00 0.00 H new ATOM 323 N TYR A 22 -2.419 18.039 -49.433 1.00 0.00 N ATOM 324 CA TYR A 22 -1.657 18.229 -48.203 1.00 0.00 C ATOM 325 C TYR A 22 -0.574 17.189 -48.017 1.00 0.00 C ATOM 326 O TYR A 22 -0.022 17.075 -46.928 1.00 0.00 O ATOM 327 CB TYR A 22 -2.538 18.204 -46.972 1.00 0.00 C ATOM 328 CG TYR A 22 -3.520 19.317 -46.824 1.00 0.00 C ATOM 329 CD1 TYR A 22 -3.128 20.538 -46.308 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.840 19.136 -47.151 1.00 0.00 C ATOM 331 CE1 TYR A 22 -4.034 21.556 -46.127 1.00 0.00 C ATOM 332 CE2 TYR A 22 -5.760 20.138 -46.967 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.351 21.350 -46.457 1.00 0.00 C ATOM 334 OH TYR A 22 -6.269 22.344 -46.247 1.00 0.00 O ATOM 0 H TYR A 22 -3.224 17.419 -49.343 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.199 19.212 -48.313 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.088 17.263 -46.967 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.893 18.201 -46.093 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.093 20.695 -46.043 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.161 18.189 -47.560 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.713 22.508 -45.730 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.797 19.977 -47.220 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.154 22.038 -46.535 1.00 0.00 H new ATOM 344 N SER A 23 -0.252 16.463 -49.054 1.00 0.00 N ATOM 345 CA SER A 23 0.765 15.431 -48.982 1.00 0.00 C ATOM 346 C SER A 23 2.100 16.010 -48.512 1.00 0.00 C ATOM 347 O SER A 23 2.703 15.507 -47.584 1.00 0.00 O ATOM 348 CB SER A 23 0.891 14.768 -50.341 1.00 0.00 C ATOM 349 OG SER A 23 1.099 15.743 -51.362 1.00 0.00 O ATOM 0 H SER A 23 -0.682 16.565 -49.973 1.00 0.00 H new ATOM 0 HA SER A 23 0.472 14.680 -48.248 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.722 14.062 -50.331 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.011 14.196 -50.557 1.00 0.00 H new ATOM 0 HG SER A 23 0.233 16.037 -51.715 1.00 0.00 H new ATOM 355 N SER A 24 2.464 17.143 -49.073 1.00 0.00 N ATOM 356 CA SER A 24 3.709 17.821 -48.788 1.00 0.00 C ATOM 357 C SER A 24 3.746 18.396 -47.357 1.00 0.00 C ATOM 358 O SER A 24 4.809 18.714 -46.815 1.00 0.00 O ATOM 359 CB SER A 24 3.858 18.909 -49.830 1.00 0.00 C ATOM 360 OG SER A 24 2.597 19.531 -50.044 1.00 0.00 O ATOM 0 H SER A 24 1.886 17.630 -49.758 1.00 0.00 H new ATOM 0 HA SER A 24 4.542 17.119 -48.836 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.589 19.647 -49.500 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.231 18.486 -50.763 1.00 0.00 H new ATOM 0 HG SER A 24 2.691 20.237 -50.717 1.00 0.00 H new ATOM 366 N VAL A 25 2.595 18.492 -46.765 1.00 0.00 N ATOM 367 CA VAL A 25 2.432 19.028 -45.435 1.00 0.00 C ATOM 368 C VAL A 25 2.386 17.911 -44.416 1.00 0.00 C ATOM 369 O VAL A 25 2.973 18.000 -43.327 1.00 0.00 O ATOM 370 CB VAL A 25 1.128 19.850 -45.351 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.786 20.185 -43.917 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.251 21.106 -46.175 1.00 0.00 C ATOM 0 H VAL A 25 1.720 18.195 -47.197 1.00 0.00 H new ATOM 0 HA VAL A 25 3.284 19.673 -45.219 1.00 0.00 H new ATOM 0 HB VAL A 25 0.316 19.244 -45.754 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.137 20.764 -43.889 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.654 19.264 -43.350 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.594 20.769 -43.477 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.325 21.677 -46.108 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.077 21.709 -45.798 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.439 20.842 -47.215 1.00 0.00 H new ATOM 382 N PHE A 26 1.754 16.839 -44.793 1.00 0.00 N ATOM 383 CA PHE A 26 1.524 15.737 -43.919 1.00 0.00 C ATOM 384 C PHE A 26 2.823 15.008 -43.604 1.00 0.00 C ATOM 385 O PHE A 26 2.930 14.296 -42.601 1.00 0.00 O ATOM 386 CB PHE A 26 0.454 14.816 -44.523 1.00 0.00 C ATOM 387 CG PHE A 26 0.548 13.398 -44.035 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.034 13.024 -42.836 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.298 12.463 -44.735 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.138 11.750 -42.344 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.455 11.188 -44.253 1.00 0.00 C ATOM 392 CZ PHE A 26 0.882 10.836 -43.056 1.00 0.00 C ATOM 0 H PHE A 26 1.379 16.708 -45.733 1.00 0.00 H new ATOM 0 HA PHE A 26 1.145 16.102 -42.964 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.533 15.211 -44.283 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.546 14.826 -45.609 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.627 13.737 -42.283 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.763 12.742 -45.669 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.309 11.468 -41.402 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.027 10.464 -44.813 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.016 9.836 -42.671 1.00 0.00 H new ATOM 402 N LEU A 27 3.829 15.237 -44.422 1.00 0.00 N ATOM 403 CA LEU A 27 5.133 14.627 -44.218 1.00 0.00 C ATOM 404 C LEU A 27 5.720 15.096 -42.875 1.00 0.00 C ATOM 405 O LEU A 27 6.613 14.482 -42.330 1.00 0.00 O ATOM 406 CB LEU A 27 6.102 14.995 -45.344 1.00 0.00 C ATOM 407 CG LEU A 27 5.587 14.853 -46.775 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.682 15.147 -47.779 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.957 13.492 -47.013 1.00 0.00 C ATOM 0 H LEU A 27 3.771 15.844 -45.240 1.00 0.00 H new ATOM 0 HA LEU A 27 5.001 13.545 -44.214 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.415 16.029 -45.197 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.992 14.375 -45.241 1.00 0.00 H new ATOM 0 HG LEU A 27 4.801 15.595 -46.918 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.288 15.038 -48.789 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.042 16.166 -47.637 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.506 14.448 -47.634 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.603 13.430 -48.042 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.698 12.712 -46.836 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.117 13.356 -46.332 1.00 0.00 H new ATOM 421 N ARG A 28 5.184 16.184 -42.347 1.00 0.00 N ATOM 422 CA ARG A 28 5.612 16.670 -41.058 1.00 0.00 C ATOM 423 C ARG A 28 4.877 15.887 -39.995 1.00 0.00 C ATOM 424 O ARG A 28 5.471 15.382 -39.065 1.00 0.00 O ATOM 425 CB ARG A 28 5.321 18.167 -40.885 1.00 0.00 C ATOM 426 CG ARG A 28 5.827 19.050 -42.018 1.00 0.00 C ATOM 427 CD ARG A 28 7.274 18.755 -42.366 1.00 0.00 C ATOM 428 NE ARG A 28 8.173 18.875 -41.207 1.00 0.00 N ATOM 429 CZ ARG A 28 9.426 19.334 -41.238 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.940 19.841 -42.357 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.163 19.277 -40.143 1.00 0.00 N ATOM 0 H ARG A 28 4.455 16.741 -42.793 1.00 0.00 H new ATOM 0 HA ARG A 28 6.690 16.537 -40.972 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.244 18.305 -40.789 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.770 18.505 -39.951 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.204 18.900 -42.900 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.729 20.097 -41.733 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.347 17.747 -42.774 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.602 19.440 -43.148 1.00 0.00 H new ATOM 0 HE ARG A 28 7.807 18.582 -40.301 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.375 19.882 -43.205 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.899 20.188 -42.366 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.773 18.885 -39.286 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.122 19.625 -40.155 1.00 0.00 H new ATOM 445 N LEU A 29 3.574 15.722 -40.209 1.00 0.00 N ATOM 446 CA LEU A 29 2.690 15.026 -39.280 1.00 0.00 C ATOM 447 C LEU A 29 3.141 13.569 -39.118 1.00 0.00 C ATOM 448 O LEU A 29 3.035 12.997 -38.035 1.00 0.00 O ATOM 449 CB LEU A 29 1.213 15.142 -39.781 1.00 0.00 C ATOM 450 CG LEU A 29 0.049 14.695 -38.839 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.107 13.185 -38.778 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.236 15.264 -37.432 1.00 0.00 C ATOM 0 H LEU A 29 3.098 16.072 -41.041 1.00 0.00 H new ATOM 0 HA LEU A 29 2.742 15.488 -38.294 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.038 16.185 -40.046 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.132 14.561 -40.700 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.868 15.098 -39.268 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.930 12.931 -38.109 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.318 12.800 -39.776 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.815 12.739 -38.405 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.587 14.939 -36.796 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.179 14.907 -37.017 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.250 16.353 -37.479 1.00 0.00 H new ATOM 464 N ARG A 30 3.698 12.988 -40.180 1.00 0.00 N ATOM 465 CA ARG A 30 4.177 11.610 -40.096 1.00 0.00 C ATOM 466 C ARG A 30 5.372 11.524 -39.178 1.00 0.00 C ATOM 467 O ARG A 30 5.466 10.634 -38.332 1.00 0.00 O ATOM 468 CB ARG A 30 4.462 10.998 -41.470 1.00 0.00 C ATOM 469 CG ARG A 30 5.610 11.598 -42.244 1.00 0.00 C ATOM 470 CD ARG A 30 5.885 10.828 -43.536 1.00 0.00 C ATOM 471 NE ARG A 30 6.452 9.503 -43.251 1.00 0.00 N ATOM 472 CZ ARG A 30 6.436 8.426 -44.053 1.00 0.00 C ATOM 473 NH1 ARG A 30 5.789 8.446 -45.215 1.00 0.00 N ATOM 474 NH2 ARG A 30 7.072 7.322 -43.667 1.00 0.00 N ATOM 0 H ARG A 30 3.827 13.437 -41.087 1.00 0.00 H new ATOM 0 HA ARG A 30 3.374 11.010 -39.668 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.658 9.934 -41.337 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.560 11.082 -42.076 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.385 12.638 -42.481 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.506 11.599 -41.623 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.960 10.717 -44.101 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.574 11.395 -44.161 1.00 0.00 H new ATOM 0 HE ARG A 30 6.907 9.389 -42.345 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.295 9.288 -45.509 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.787 7.619 -45.812 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.562 7.302 -42.773 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.069 6.496 -44.265 1.00 0.00 H new ATOM 488 N SER A 31 6.217 12.494 -39.298 1.00 0.00 N ATOM 489 CA SER A 31 7.398 12.612 -38.470 1.00 0.00 C ATOM 490 C SER A 31 7.005 12.869 -37.010 1.00 0.00 C ATOM 491 O SER A 31 7.723 12.489 -36.088 1.00 0.00 O ATOM 492 CB SER A 31 8.280 13.717 -39.012 1.00 0.00 C ATOM 493 OG SER A 31 8.550 13.479 -40.391 1.00 0.00 O ATOM 0 H SER A 31 6.116 13.245 -39.981 1.00 0.00 H new ATOM 0 HA SER A 31 7.959 11.678 -38.495 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.789 14.682 -38.888 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.213 13.760 -38.450 1.00 0.00 H new ATOM 0 HG SER A 31 7.838 13.874 -40.937 1.00 0.00 H new ATOM 499 N LEU A 32 5.855 13.495 -36.820 1.00 0.00 N ATOM 500 CA LEU A 32 5.293 13.700 -35.494 1.00 0.00 C ATOM 501 C LEU A 32 4.814 12.375 -34.921 1.00 0.00 C ATOM 502 O LEU A 32 5.052 12.070 -33.763 1.00 0.00 O ATOM 503 CB LEU A 32 4.138 14.724 -35.510 1.00 0.00 C ATOM 504 CG LEU A 32 4.493 16.211 -35.283 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.046 16.409 -33.896 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.476 16.732 -36.312 1.00 0.00 C ATOM 0 H LEU A 32 5.286 13.874 -37.577 1.00 0.00 H new ATOM 0 HA LEU A 32 6.081 14.106 -34.859 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.631 14.643 -36.472 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.419 14.430 -34.745 1.00 0.00 H new ATOM 0 HG LEU A 32 3.571 16.782 -35.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.292 17.461 -33.749 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.301 16.104 -33.161 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.945 15.805 -33.773 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.693 17.781 -36.109 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.398 16.154 -36.260 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.044 16.637 -37.308 1.00 0.00 H new ATOM 518 N MET A 33 4.150 11.589 -35.750 1.00 0.00 N ATOM 519 CA MET A 33 3.656 10.283 -35.359 1.00 0.00 C ATOM 520 C MET A 33 4.769 9.351 -34.938 1.00 0.00 C ATOM 521 O MET A 33 4.667 8.692 -33.917 1.00 0.00 O ATOM 522 CB MET A 33 2.844 9.649 -36.469 1.00 0.00 C ATOM 523 CG MET A 33 1.607 10.430 -36.827 1.00 0.00 C ATOM 524 SD MET A 33 0.483 9.504 -37.874 1.00 0.00 S ATOM 525 CE MET A 33 1.436 9.401 -39.376 1.00 0.00 C ATOM 0 H MET A 33 3.938 11.840 -36.716 1.00 0.00 H new ATOM 0 HA MET A 33 3.011 10.444 -34.495 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.470 9.549 -37.355 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.554 8.642 -36.168 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.089 10.721 -35.913 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.897 11.349 -37.336 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.929 9.953 -40.167 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.424 9.830 -39.210 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.539 8.357 -39.671 1.00 0.00 H new ATOM 535 N TYR A 34 5.821 9.300 -35.716 1.00 0.00 N ATOM 536 CA TYR A 34 6.967 8.447 -35.385 1.00 0.00 C ATOM 537 C TYR A 34 7.829 9.025 -34.277 1.00 0.00 C ATOM 538 O TYR A 34 8.681 8.333 -33.705 1.00 0.00 O ATOM 539 CB TYR A 34 7.765 8.127 -36.616 1.00 0.00 C ATOM 540 CG TYR A 34 6.947 7.321 -37.595 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.561 6.026 -37.288 1.00 0.00 C ATOM 542 CD2 TYR A 34 6.529 7.857 -38.799 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.795 5.305 -38.146 1.00 0.00 C ATOM 544 CE2 TYR A 34 5.756 7.123 -39.674 1.00 0.00 C ATOM 545 CZ TYR A 34 5.391 5.843 -39.331 1.00 0.00 C ATOM 546 OH TYR A 34 4.605 5.081 -40.178 1.00 0.00 O ATOM 0 H TYR A 34 5.921 9.831 -36.581 1.00 0.00 H new ATOM 0 HA TYR A 34 6.570 7.511 -34.991 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.098 9.051 -37.089 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.660 7.570 -36.339 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.874 5.584 -36.353 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.812 8.866 -39.058 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.504 4.298 -37.888 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.442 7.548 -40.616 1.00 0.00 H new ATOM 0 HH TYR A 34 3.788 5.575 -40.400 1.00 0.00 H new ATOM 556 N ASP A 35 7.652 10.300 -34.022 1.00 0.00 N ATOM 557 CA ASP A 35 8.245 10.943 -32.840 1.00 0.00 C ATOM 558 C ASP A 35 7.492 10.463 -31.612 1.00 0.00 C ATOM 559 O ASP A 35 8.059 10.284 -30.526 1.00 0.00 O ATOM 560 CB ASP A 35 8.174 12.473 -32.944 1.00 0.00 C ATOM 561 CG ASP A 35 8.665 13.188 -31.700 1.00 0.00 C ATOM 562 OD1 ASP A 35 9.891 13.177 -31.429 1.00 0.00 O ATOM 563 OD2 ASP A 35 7.851 13.783 -30.979 1.00 0.00 O ATOM 0 H ASP A 35 7.103 10.927 -34.610 1.00 0.00 H new ATOM 0 HA ASP A 35 9.298 10.672 -32.770 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.767 12.799 -33.799 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.143 12.768 -33.140 1.00 0.00 H new ATOM 568 N MET A 36 6.215 10.226 -31.816 1.00 0.00 N ATOM 569 CA MET A 36 5.342 9.674 -30.829 1.00 0.00 C ATOM 570 C MET A 36 5.413 8.147 -30.891 1.00 0.00 C ATOM 571 O MET A 36 6.378 7.591 -31.410 1.00 0.00 O ATOM 572 CB MET A 36 3.911 10.200 -31.035 1.00 0.00 C ATOM 573 CG MET A 36 3.740 11.640 -30.584 1.00 0.00 C ATOM 574 SD MET A 36 2.061 12.287 -30.800 1.00 0.00 S ATOM 575 CE MET A 36 1.957 12.432 -32.581 1.00 0.00 C ATOM 0 H MET A 36 5.751 10.421 -32.703 1.00 0.00 H new ATOM 0 HA MET A 36 5.656 9.985 -29.833 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.649 10.121 -32.090 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.214 9.567 -30.485 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.015 11.715 -29.532 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.435 12.269 -31.140 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.073 13.011 -32.848 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.847 12.935 -32.958 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.887 11.438 -33.024 1.00 0.00 H new ATOM 585 N ASN A 37 4.418 7.475 -30.386 1.00 0.00 N ATOM 586 CA ASN A 37 4.464 6.020 -30.287 1.00 0.00 C ATOM 587 C ASN A 37 3.978 5.274 -31.517 1.00 0.00 C ATOM 588 O ASN A 37 3.923 4.045 -31.513 1.00 0.00 O ATOM 589 CB ASN A 37 3.723 5.525 -29.073 1.00 0.00 C ATOM 590 CG ASN A 37 4.513 5.703 -27.816 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.286 4.841 -27.427 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.352 6.811 -27.173 1.00 0.00 N ATOM 0 H ASN A 37 3.560 7.899 -30.033 1.00 0.00 H new ATOM 0 HA ASN A 37 5.527 5.797 -30.197 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.777 6.059 -28.984 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.482 4.470 -29.202 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.878 6.984 -26.316 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.699 7.513 -27.522 1.00 0.00 H new ATOM 599 N PHE A 38 3.589 5.993 -32.541 1.00 0.00 N ATOM 600 CA PHE A 38 3.067 5.368 -33.766 1.00 0.00 C ATOM 601 C PHE A 38 4.148 4.575 -34.528 1.00 0.00 C ATOM 602 O PHE A 38 5.340 4.861 -34.413 1.00 0.00 O ATOM 603 CB PHE A 38 2.445 6.407 -34.686 1.00 0.00 C ATOM 604 CG PHE A 38 1.315 7.143 -34.052 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.557 8.279 -33.305 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.018 6.696 -34.185 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.538 8.953 -32.703 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.013 7.373 -33.584 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.743 8.504 -32.839 1.00 0.00 C ATOM 0 H PHE A 38 3.618 7.012 -32.566 1.00 0.00 H new ATOM 0 HA PHE A 38 2.299 4.663 -33.450 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.211 7.120 -34.990 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.089 5.916 -35.592 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.570 8.638 -33.197 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.188 5.809 -34.765 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.743 9.839 -32.121 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.029 7.024 -33.693 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.552 9.037 -32.361 1.00 0.00 H new ATOM 619 N SER A 39 3.721 3.591 -35.295 1.00 0.00 N ATOM 620 CA SER A 39 4.623 2.743 -36.055 1.00 0.00 C ATOM 621 C SER A 39 4.134 2.544 -37.504 1.00 0.00 C ATOM 622 O SER A 39 2.998 2.918 -37.851 1.00 0.00 O ATOM 623 CB SER A 39 4.744 1.396 -35.379 1.00 0.00 C ATOM 624 OG SER A 39 5.198 1.516 -34.032 1.00 0.00 O ATOM 0 H SER A 39 2.735 3.355 -35.410 1.00 0.00 H new ATOM 0 HA SER A 39 5.594 3.237 -36.090 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.776 0.895 -35.393 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.436 0.769 -35.941 1.00 0.00 H new ATOM 0 HG SER A 39 5.262 0.626 -33.628 1.00 0.00 H new ATOM 630 N SER A 40 5.003 1.974 -38.339 1.00 0.00 N ATOM 631 CA SER A 40 4.716 1.724 -39.741 1.00 0.00 C ATOM 632 C SER A 40 4.266 0.290 -39.962 1.00 0.00 C ATOM 633 O SER A 40 3.604 -0.020 -40.968 1.00 0.00 O ATOM 634 CB SER A 40 5.979 1.929 -40.535 1.00 0.00 C ATOM 635 OG SER A 40 6.654 3.099 -40.122 1.00 0.00 O ATOM 0 H SER A 40 5.934 1.672 -38.052 1.00 0.00 H new ATOM 0 HA SER A 40 3.924 2.404 -40.054 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.633 1.066 -40.413 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.738 1.999 -41.596 1.00 0.00 H new ATOM 0 HG SER A 40 6.002 3.811 -39.955 1.00 0.00 H new ATOM 641 N ILE A 41 4.683 -0.576 -39.070 1.00 0.00 N ATOM 642 CA ILE A 41 4.369 -1.988 -39.118 1.00 0.00 C ATOM 643 C ILE A 41 3.763 -2.416 -37.790 1.00 0.00 C ATOM 644 O ILE A 41 4.141 -1.895 -36.730 1.00 0.00 O ATOM 645 CB ILE A 41 5.659 -2.878 -39.417 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.058 -2.915 -40.897 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.553 -4.296 -38.880 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.620 -1.640 -41.440 1.00 0.00 C ATOM 0 H ILE A 41 5.263 -0.315 -38.272 1.00 0.00 H new ATOM 0 HA ILE A 41 3.660 -2.142 -39.931 1.00 0.00 H new ATOM 0 HB ILE A 41 6.452 -2.366 -38.872 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.794 -3.706 -41.038 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.182 -3.186 -41.486 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.464 -4.845 -39.119 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.420 -4.267 -37.799 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.699 -4.795 -39.337 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.870 -1.772 -42.493 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.881 -0.845 -41.339 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.519 -1.373 -40.884 1.00 0.00 H new ATOM 660 N VAL A 42 2.832 -3.325 -37.857 1.00 0.00 N ATOM 661 CA VAL A 42 2.248 -3.931 -36.693 1.00 0.00 C ATOM 662 C VAL A 42 1.892 -5.367 -37.071 1.00 0.00 C ATOM 663 O VAL A 42 1.587 -5.646 -38.242 1.00 0.00 O ATOM 664 CB VAL A 42 0.984 -3.151 -36.197 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.127 -3.220 -37.209 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.506 -3.652 -34.838 1.00 0.00 C ATOM 0 H VAL A 42 2.451 -3.672 -38.737 1.00 0.00 H new ATOM 0 HA VAL A 42 2.956 -3.908 -35.865 1.00 0.00 H new ATOM 0 HB VAL A 42 1.277 -2.108 -36.079 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.992 -2.670 -36.838 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.208 -2.779 -38.148 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.403 -4.261 -37.375 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.372 -3.085 -34.530 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.249 -4.709 -34.910 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.299 -3.520 -34.102 1.00 0.00 H new ATOM 676 N ALA A 43 2.018 -6.265 -36.148 1.00 0.00 N ATOM 677 CA ALA A 43 1.674 -7.636 -36.384 1.00 0.00 C ATOM 678 C ALA A 43 0.169 -7.824 -36.333 1.00 0.00 C ATOM 679 O ALA A 43 -0.518 -7.247 -35.480 1.00 0.00 O ATOM 680 CB ALA A 43 2.351 -8.538 -35.372 1.00 0.00 C ATOM 0 H ALA A 43 2.362 -6.072 -35.207 1.00 0.00 H new ATOM 0 HA ALA A 43 2.024 -7.909 -37.379 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.077 -9.575 -35.568 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.432 -8.427 -35.452 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.031 -8.262 -34.367 1.00 0.00 H new ATOM 686 N ASP A 44 -0.334 -8.596 -37.255 1.00 0.00 N ATOM 687 CA ASP A 44 -1.745 -8.938 -37.305 1.00 0.00 C ATOM 688 C ASP A 44 -2.039 -10.107 -36.358 1.00 0.00 C ATOM 689 O ASP A 44 -1.187 -10.488 -35.544 1.00 0.00 O ATOM 690 CB ASP A 44 -2.195 -9.266 -38.753 1.00 0.00 C ATOM 691 CG ASP A 44 -1.387 -10.359 -39.429 1.00 0.00 C ATOM 692 OD1 ASP A 44 -0.931 -11.293 -38.735 1.00 0.00 O ATOM 693 OD2 ASP A 44 -1.226 -10.304 -40.663 1.00 0.00 O ATOM 0 H ASP A 44 0.220 -9.013 -38.003 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.319 -8.072 -36.975 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.243 -9.564 -38.736 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.131 -8.359 -39.354 1.00 0.00 H new ATOM 698 N GLU A 45 -3.225 -10.689 -36.475 1.00 0.00 N ATOM 699 CA GLU A 45 -3.643 -11.783 -35.593 1.00 0.00 C ATOM 700 C GLU A 45 -2.895 -13.081 -35.929 1.00 0.00 C ATOM 701 O GLU A 45 -2.823 -14.010 -35.109 1.00 0.00 O ATOM 702 CB GLU A 45 -5.150 -12.022 -35.715 1.00 0.00 C ATOM 703 CG GLU A 45 -5.582 -12.633 -37.044 1.00 0.00 C ATOM 704 CD GLU A 45 -7.077 -12.827 -37.127 1.00 0.00 C ATOM 705 OE1 GLU A 45 -7.582 -13.868 -36.655 1.00 0.00 O ATOM 706 OE2 GLU A 45 -7.775 -11.959 -37.647 1.00 0.00 O ATOM 0 H GLU A 45 -3.920 -10.424 -37.173 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.402 -11.493 -34.570 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.469 -12.679 -34.906 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.669 -11.073 -35.579 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.256 -11.989 -37.861 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.085 -13.594 -37.178 1.00 0.00 H new ATOM 713 N TYR A 46 -2.328 -13.131 -37.115 1.00 0.00 N ATOM 714 CA TYR A 46 -1.651 -14.310 -37.591 1.00 0.00 C ATOM 715 C TYR A 46 -0.212 -14.248 -37.138 1.00 0.00 C ATOM 716 O TYR A 46 0.463 -15.263 -36.989 1.00 0.00 O ATOM 717 CB TYR A 46 -1.709 -14.367 -39.120 1.00 0.00 C ATOM 718 CG TYR A 46 -3.087 -14.141 -39.690 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.076 -15.098 -39.575 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.398 -12.952 -40.329 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.336 -14.879 -40.088 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.653 -12.722 -40.840 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.618 -13.687 -40.718 1.00 0.00 C ATOM 724 OH TYR A 46 -6.873 -13.461 -41.219 1.00 0.00 O ATOM 0 H TYR A 46 -2.325 -12.353 -37.774 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.134 -15.202 -37.192 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.031 -13.617 -39.527 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.345 -15.340 -39.451 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.859 -16.031 -39.076 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.639 -12.190 -40.428 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.099 -15.638 -39.997 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.877 -11.788 -41.334 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.906 -12.572 -41.631 1.00 0.00 H new ATOM 734 N GLY A 47 0.243 -13.041 -36.932 1.00 0.00 N ATOM 735 CA GLY A 47 1.577 -12.804 -36.479 1.00 0.00 C ATOM 736 C GLY A 47 2.426 -12.270 -37.593 1.00 0.00 C ATOM 737 O GLY A 47 3.650 -12.399 -37.573 1.00 0.00 O ATOM 0 H GLY A 47 -0.308 -12.195 -37.076 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.565 -12.095 -35.652 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.007 -13.730 -36.098 1.00 0.00 H new ATOM 741 N ILE A 48 1.786 -11.693 -38.585 1.00 0.00 N ATOM 742 CA ILE A 48 2.482 -11.145 -39.703 1.00 0.00 C ATOM 743 C ILE A 48 2.669 -9.648 -39.523 1.00 0.00 C ATOM 744 O ILE A 48 1.710 -8.925 -39.234 1.00 0.00 O ATOM 745 CB ILE A 48 1.795 -11.479 -41.089 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.151 -12.892 -41.559 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.177 -10.485 -42.172 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.674 -14.004 -40.669 1.00 0.00 C ATOM 0 H ILE A 48 0.772 -11.596 -38.630 1.00 0.00 H new ATOM 0 HA ILE A 48 3.461 -11.623 -39.735 1.00 0.00 H new ATOM 0 HB ILE A 48 0.720 -11.412 -40.920 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.734 -13.042 -42.555 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.235 -12.964 -41.653 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.682 -10.755 -43.105 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.867 -9.484 -41.873 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.257 -10.502 -42.317 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.977 -14.963 -41.090 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.111 -13.889 -39.677 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.587 -13.968 -40.593 1.00 0.00 H new ATOM 760 N PRO A 49 3.913 -9.177 -39.619 1.00 0.00 N ATOM 761 CA PRO A 49 4.225 -7.758 -39.538 1.00 0.00 C ATOM 762 C PRO A 49 3.751 -7.026 -40.800 1.00 0.00 C ATOM 763 O PRO A 49 4.394 -7.089 -41.866 1.00 0.00 O ATOM 764 CB PRO A 49 5.752 -7.722 -39.438 1.00 0.00 C ATOM 765 CG PRO A 49 6.218 -9.018 -40.022 1.00 0.00 C ATOM 766 CD PRO A 49 5.117 -10.013 -39.799 1.00 0.00 C ATOM 0 HA PRO A 49 3.735 -7.267 -38.697 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.162 -6.874 -39.986 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.076 -7.619 -38.402 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.431 -8.909 -41.085 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.140 -9.348 -39.544 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.011 -10.688 -40.648 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.309 -10.631 -38.922 1.00 0.00 H new ATOM 774 N ARG A 50 2.625 -6.396 -40.689 1.00 0.00 N ATOM 775 CA ARG A 50 1.998 -5.716 -41.796 1.00 0.00 C ATOM 776 C ARG A 50 2.391 -4.261 -41.848 1.00 0.00 C ATOM 777 O ARG A 50 2.603 -3.631 -40.811 1.00 0.00 O ATOM 778 CB ARG A 50 0.500 -5.775 -41.619 1.00 0.00 C ATOM 779 CG ARG A 50 -0.091 -7.161 -41.627 1.00 0.00 C ATOM 780 CD ARG A 50 -0.075 -7.754 -43.002 1.00 0.00 C ATOM 781 NE ARG A 50 -0.756 -9.039 -43.030 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.215 -9.627 -44.131 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.135 -9.015 -45.320 1.00 0.00 N ATOM 784 NH2 ARG A 50 -1.763 -10.820 -44.055 1.00 0.00 N ATOM 0 H ARG A 50 2.101 -6.334 -39.816 1.00 0.00 H new ATOM 0 HA ARG A 50 2.319 -6.207 -42.715 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.242 -5.292 -40.676 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.033 -5.193 -42.413 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.470 -7.801 -40.946 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.116 -7.123 -41.257 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.556 -7.070 -43.701 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.955 -7.878 -43.335 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.891 -9.523 -42.143 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.718 -8.087 -45.389 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.491 -9.477 -46.157 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.835 -11.292 -43.153 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.116 -11.274 -44.898 1.00 0.00 H new ATOM 798 N GLN A 51 2.471 -3.734 -43.048 1.00 0.00 N ATOM 799 CA GLN A 51 2.685 -2.318 -43.257 1.00 0.00 C ATOM 800 C GLN A 51 1.372 -1.617 -43.176 1.00 0.00 C ATOM 801 O GLN A 51 0.327 -2.146 -43.563 1.00 0.00 O ATOM 802 CB GLN A 51 3.311 -1.985 -44.609 1.00 0.00 C ATOM 803 CG GLN A 51 4.815 -2.116 -44.689 1.00 0.00 C ATOM 804 CD GLN A 51 5.539 -0.771 -44.583 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.579 -0.556 -45.203 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.075 0.091 -43.716 1.00 0.00 N ATOM 0 H GLN A 51 2.390 -4.275 -43.909 1.00 0.00 H new ATOM 0 HA GLN A 51 3.381 -1.992 -42.484 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.868 -2.636 -45.363 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.040 -0.962 -44.871 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.160 -2.772 -43.890 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.083 -2.593 -45.632 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.210 -0.107 -43.213 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.578 0.962 -43.543 1.00 0.00 H new ATOM 815 N LEU A 52 1.437 -0.456 -42.673 1.00 0.00 N ATOM 816 CA LEU A 52 0.282 0.375 -42.471 1.00 0.00 C ATOM 817 C LEU A 52 0.270 1.502 -43.466 1.00 0.00 C ATOM 818 O LEU A 52 -0.783 2.052 -43.783 1.00 0.00 O ATOM 819 CB LEU A 52 0.402 0.915 -41.061 1.00 0.00 C ATOM 820 CG LEU A 52 0.574 -0.186 -40.036 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.949 0.361 -38.705 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.685 -1.014 -39.957 1.00 0.00 C ATOM 0 H LEU A 52 2.311 -0.024 -42.374 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.644 -0.184 -42.607 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.252 1.595 -41.006 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.488 1.497 -40.820 1.00 0.00 H new ATOM 0 HG LEU A 52 1.394 -0.830 -40.355 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.064 -0.458 -37.994 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.890 0.905 -38.787 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.168 1.037 -38.356 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.555 -1.804 -39.218 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.521 -0.378 -39.665 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.890 -1.458 -40.931 1.00 0.00 H new ATOM 834 N ASN A 53 1.451 1.775 -44.009 1.00 0.00 N ATOM 835 CA ASN A 53 1.750 2.958 -44.860 1.00 0.00 C ATOM 836 C ASN A 53 1.085 2.936 -46.224 1.00 0.00 C ATOM 837 O ASN A 53 1.731 2.900 -47.277 1.00 0.00 O ATOM 838 CB ASN A 53 3.258 3.191 -44.981 1.00 0.00 C ATOM 839 CG ASN A 53 3.956 3.266 -43.639 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.134 2.935 -43.525 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.244 3.638 -42.606 1.00 0.00 N ATOM 0 H ASN A 53 2.262 1.171 -43.875 1.00 0.00 H new ATOM 0 HA ASN A 53 1.304 3.805 -44.338 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.698 2.385 -45.569 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.434 4.117 -45.528 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.665 3.658 -41.677 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.268 3.908 -42.730 1.00 0.00 H new ATOM 848 N GLU A 54 -0.177 2.859 -46.163 1.00 0.00 N ATOM 849 CA GLU A 54 -1.060 2.972 -47.258 1.00 0.00 C ATOM 850 C GLU A 54 -1.963 4.133 -46.931 1.00 0.00 C ATOM 851 O GLU A 54 -2.133 5.052 -47.714 1.00 0.00 O ATOM 852 CB GLU A 54 -1.906 1.736 -47.373 1.00 0.00 C ATOM 853 CG GLU A 54 -1.147 0.443 -47.278 1.00 0.00 C ATOM 854 CD GLU A 54 -2.076 -0.723 -47.313 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.621 -1.091 -46.253 1.00 0.00 O ATOM 856 OE2 GLU A 54 -2.324 -1.263 -48.408 1.00 0.00 O ATOM 0 H GLU A 54 -0.666 2.703 -45.281 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.513 3.107 -48.191 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.662 1.756 -46.588 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.435 1.762 -48.326 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.437 0.372 -48.102 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.567 0.424 -46.355 1.00 0.00 H new ATOM 863 N ASN A 55 -2.522 4.072 -45.728 1.00 0.00 N ATOM 864 CA ASN A 55 -3.389 5.127 -45.218 1.00 0.00 C ATOM 865 C ASN A 55 -3.429 5.139 -43.684 1.00 0.00 C ATOM 866 O ASN A 55 -3.608 6.204 -43.071 1.00 0.00 O ATOM 867 CB ASN A 55 -4.828 5.038 -45.806 1.00 0.00 C ATOM 868 CG ASN A 55 -5.920 4.613 -44.805 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.532 5.453 -44.137 1.00 0.00 O ATOM 870 ND2 ASN A 55 -6.168 3.323 -44.694 1.00 0.00 N ATOM 0 H ASN A 55 -2.388 3.294 -45.082 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.955 6.070 -45.550 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.095 6.010 -46.220 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.822 4.330 -46.635 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.882 2.995 -44.043 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.646 2.653 -45.259 1.00 0.00 H new ATOM 877 N SER A 56 -3.272 3.973 -43.073 1.00 0.00 N ATOM 878 CA SER A 56 -3.344 3.855 -41.644 1.00 0.00 C ATOM 879 C SER A 56 -1.972 3.726 -41.005 1.00 0.00 C ATOM 880 O SER A 56 -0.966 3.654 -41.689 1.00 0.00 O ATOM 881 CB SER A 56 -4.234 2.679 -41.279 1.00 0.00 C ATOM 882 OG SER A 56 -5.526 2.842 -41.847 1.00 0.00 O ATOM 0 H SER A 56 -3.093 3.095 -43.560 1.00 0.00 H new ATOM 0 HA SER A 56 -3.779 4.773 -41.249 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.787 1.751 -41.636 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.314 2.597 -40.195 1.00 0.00 H new ATOM 0 HG SER A 56 -6.149 3.154 -41.158 1.00 0.00 H new ATOM 888 N PHE A 57 -1.945 3.786 -39.693 1.00 0.00 N ATOM 889 CA PHE A 57 -0.745 3.635 -38.895 1.00 0.00 C ATOM 890 C PHE A 57 -1.171 2.991 -37.580 1.00 0.00 C ATOM 891 O PHE A 57 -2.359 2.924 -37.315 1.00 0.00 O ATOM 892 CB PHE A 57 -0.086 5.000 -38.624 1.00 0.00 C ATOM 893 CG PHE A 57 0.223 5.807 -39.864 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.431 5.658 -40.513 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.715 6.689 -40.394 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.703 6.365 -41.670 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.446 7.401 -41.548 1.00 0.00 C ATOM 898 CZ PHE A 57 0.766 7.237 -42.187 1.00 0.00 C ATOM 0 H PHE A 57 -2.782 3.946 -39.133 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.013 3.022 -39.421 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.743 5.585 -37.980 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.840 4.838 -38.072 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.172 4.982 -40.113 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.665 6.819 -39.897 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.651 6.235 -42.170 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.182 8.083 -41.948 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.981 7.790 -43.090 1.00 0.00 H new ATOM 908 N ALA A 58 -0.242 2.530 -36.769 1.00 0.00 N ATOM 909 CA ALA A 58 -0.599 1.859 -35.519 1.00 0.00 C ATOM 910 C ALA A 58 0.159 2.443 -34.371 1.00 0.00 C ATOM 911 O ALA A 58 1.143 3.142 -34.579 1.00 0.00 O ATOM 912 CB ALA A 58 -0.347 0.357 -35.595 1.00 0.00 C ATOM 0 H ALA A 58 0.760 2.602 -36.943 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.666 2.017 -35.361 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.624 -0.107 -34.648 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.946 -0.072 -36.398 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.709 0.175 -35.793 1.00 0.00 H new ATOM 918 N ILE A 59 -0.289 2.160 -33.175 1.00 0.00 N ATOM 919 CA ILE A 59 0.333 2.656 -31.985 1.00 0.00 C ATOM 920 C ILE A 59 0.024 1.746 -30.799 1.00 0.00 C ATOM 921 O ILE A 59 -1.056 1.156 -30.726 1.00 0.00 O ATOM 922 CB ILE A 59 -0.164 4.096 -31.682 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.592 4.662 -30.497 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.680 4.118 -31.399 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.423 6.134 -30.345 1.00 0.00 C ATOM 0 H ILE A 59 -1.105 1.572 -33.003 1.00 0.00 H new ATOM 0 HA ILE A 59 1.411 2.673 -32.144 1.00 0.00 H new ATOM 0 HB ILE A 59 0.023 4.712 -32.562 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.252 4.167 -29.587 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.652 4.433 -30.607 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.996 5.140 -31.191 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.218 3.742 -32.269 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.898 3.488 -30.537 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.989 6.478 -29.479 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.789 6.637 -31.240 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.633 6.366 -30.204 1.00 0.00 H new ATOM 937 N THR A 60 0.952 1.618 -29.897 1.00 0.00 N ATOM 938 CA THR A 60 0.711 0.908 -28.721 1.00 0.00 C ATOM 939 C THR A 60 0.524 1.935 -27.604 1.00 0.00 C ATOM 940 O THR A 60 1.432 2.667 -27.206 1.00 0.00 O ATOM 941 CB THR A 60 1.800 -0.184 -28.417 1.00 0.00 C ATOM 942 OG1 THR A 60 1.339 -1.077 -27.390 1.00 0.00 O ATOM 943 CG2 THR A 60 3.145 0.402 -27.993 1.00 0.00 C ATOM 0 H THR A 60 1.890 2.011 -29.976 1.00 0.00 H new ATOM 0 HA THR A 60 -0.197 0.314 -28.820 1.00 0.00 H new ATOM 0 HB THR A 60 1.956 -0.720 -29.353 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.365 -1.009 -27.310 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.849 -0.407 -27.799 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.532 1.037 -28.790 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.015 0.995 -27.087 1.00 0.00 H new ATOM 951 N THR A 61 -0.686 2.090 -27.248 1.00 0.00 N ATOM 952 CA THR A 61 -1.075 3.005 -26.238 1.00 0.00 C ATOM 953 C THR A 61 -2.313 2.437 -25.567 1.00 0.00 C ATOM 954 O THR A 61 -2.912 1.505 -26.088 1.00 0.00 O ATOM 955 CB THR A 61 -1.379 4.398 -26.862 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.529 5.367 -25.828 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.663 4.355 -27.689 1.00 0.00 C ATOM 0 H THR A 61 -1.463 1.572 -27.658 1.00 0.00 H new ATOM 0 HA THR A 61 -0.276 3.140 -25.509 1.00 0.00 H new ATOM 0 HB THR A 61 -0.546 4.668 -27.512 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.245 6.245 -26.159 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.855 5.340 -28.115 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.554 3.627 -28.493 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.498 4.067 -27.050 1.00 0.00 H new ATOM 965 N SER A 62 -2.671 2.944 -24.432 1.00 0.00 N ATOM 966 CA SER A 62 -3.836 2.471 -23.752 1.00 0.00 C ATOM 967 C SER A 62 -4.886 3.567 -23.640 1.00 0.00 C ATOM 968 O SER A 62 -5.991 3.326 -23.150 1.00 0.00 O ATOM 969 CB SER A 62 -3.454 1.939 -22.388 1.00 0.00 C ATOM 970 OG SER A 62 -4.568 1.412 -21.690 1.00 0.00 O ATOM 0 H SER A 62 -2.170 3.692 -23.952 1.00 0.00 H new ATOM 0 HA SER A 62 -4.274 1.659 -24.332 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.697 1.163 -22.501 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.004 2.739 -21.800 1.00 0.00 H new ATOM 0 HG SER A 62 -5.375 1.910 -21.938 1.00 0.00 H new ATOM 976 N LEU A 63 -4.544 4.762 -24.071 1.00 0.00 N ATOM 977 CA LEU A 63 -5.501 5.854 -24.073 1.00 0.00 C ATOM 978 C LEU A 63 -6.566 5.602 -25.114 1.00 0.00 C ATOM 979 O LEU A 63 -6.361 4.808 -26.039 1.00 0.00 O ATOM 980 CB LEU A 63 -4.813 7.229 -24.203 1.00 0.00 C ATOM 981 CG LEU A 63 -3.787 7.391 -25.311 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.420 7.728 -26.618 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.705 8.378 -24.927 1.00 0.00 C ATOM 0 H LEU A 63 -3.618 5.004 -24.423 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.002 5.889 -23.106 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.588 7.982 -24.348 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.324 7.453 -23.255 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.303 6.423 -25.445 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.648 7.834 -27.380 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.107 6.932 -26.906 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.969 8.665 -26.525 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.989 8.469 -25.744 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.154 9.351 -24.729 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.192 8.026 -24.032 1.00 0.00 H new ATOM 995 N ALA A 64 -7.681 6.246 -24.980 1.00 0.00 N ATOM 996 CA ALA A 64 -8.802 5.920 -25.811 1.00 0.00 C ATOM 997 C ALA A 64 -8.712 6.542 -27.178 1.00 0.00 C ATOM 998 O ALA A 64 -7.863 7.385 -27.433 1.00 0.00 O ATOM 999 CB ALA A 64 -10.119 6.250 -25.142 1.00 0.00 C ATOM 0 H ALA A 64 -7.842 6.997 -24.308 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.767 4.840 -25.953 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.941 5.987 -25.807 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.208 5.685 -24.214 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.158 7.317 -24.922 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.622 6.146 -28.034 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.668 6.596 -29.412 1.00 0.00 C ATOM 1007 C ALA A 65 -9.739 8.105 -29.522 1.00 0.00 C ATOM 1008 O ALA A 65 -8.974 8.716 -30.262 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.823 5.935 -30.139 1.00 0.00 C ATOM 0 H ALA A 65 -10.366 5.491 -27.793 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.735 6.296 -29.890 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.848 6.280 -31.173 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.693 4.853 -30.121 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.760 6.196 -29.647 1.00 0.00 H new ATOM 1015 N SER A 66 -10.591 8.699 -28.733 1.00 0.00 N ATOM 1016 CA SER A 66 -10.765 10.130 -28.751 1.00 0.00 C ATOM 1017 C SER A 66 -9.539 10.848 -28.160 1.00 0.00 C ATOM 1018 O SER A 66 -9.328 12.043 -28.398 1.00 0.00 O ATOM 1019 CB SER A 66 -12.036 10.476 -28.001 1.00 0.00 C ATOM 1020 OG SER A 66 -13.118 9.737 -28.555 1.00 0.00 O ATOM 0 H SER A 66 -11.183 8.210 -28.061 1.00 0.00 H new ATOM 0 HA SER A 66 -10.856 10.474 -29.781 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.924 10.242 -26.942 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.235 11.545 -28.072 1.00 0.00 H new ATOM 0 HG SER A 66 -13.943 9.955 -28.073 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.701 10.095 -27.459 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.525 10.639 -26.844 1.00 0.00 C ATOM 1028 C GLU A 67 -6.412 10.654 -27.871 1.00 0.00 C ATOM 1029 O GLU A 67 -5.677 11.625 -27.976 1.00 0.00 O ATOM 1030 CB GLU A 67 -7.116 9.781 -25.656 1.00 0.00 C ATOM 1031 CG GLU A 67 -8.173 9.647 -24.581 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.436 10.925 -23.848 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -9.220 11.748 -24.324 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.883 11.112 -22.752 1.00 0.00 O ATOM 0 H GLU A 67 -8.828 9.094 -27.308 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.724 11.651 -26.491 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.855 8.786 -26.016 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.216 10.205 -25.211 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.101 9.299 -25.035 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.861 8.884 -23.867 1.00 0.00 H new ATOM 1041 N ILE A 68 -6.307 9.560 -28.653 1.00 0.00 N ATOM 1042 CA ILE A 68 -5.282 9.465 -29.709 1.00 0.00 C ATOM 1043 C ILE A 68 -5.449 10.606 -30.683 1.00 0.00 C ATOM 1044 O ILE A 68 -4.471 11.219 -31.104 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.333 8.151 -30.529 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.766 6.972 -29.667 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.967 7.892 -31.143 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.534 5.615 -30.258 1.00 0.00 C ATOM 0 H ILE A 68 -6.911 8.742 -28.574 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.326 9.496 -29.186 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.074 8.261 -31.320 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.238 7.028 -28.715 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.829 7.076 -29.449 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.997 6.968 -31.721 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.699 8.721 -31.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.224 7.800 -30.351 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.878 4.851 -29.561 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.085 5.527 -31.194 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.470 5.479 -30.449 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.703 10.899 -31.025 1.00 0.00 N ATOM 1061 CA GLU A 69 -7.013 12.001 -31.913 1.00 0.00 C ATOM 1062 C GLU A 69 -6.445 13.279 -31.366 1.00 0.00 C ATOM 1063 O GLU A 69 -5.737 13.976 -32.055 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.506 12.171 -32.088 1.00 0.00 C ATOM 1065 CG GLU A 69 -9.180 11.004 -32.727 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.668 11.180 -32.796 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.287 11.483 -31.761 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.253 10.995 -33.870 1.00 0.00 O ATOM 0 H GLU A 69 -7.518 10.382 -30.695 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.569 11.773 -32.882 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.958 12.348 -31.112 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.692 13.060 -32.691 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.785 10.864 -33.733 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.948 10.099 -32.165 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.715 13.534 -30.102 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.264 14.749 -29.433 1.00 0.00 C ATOM 1077 C ASP A 70 -4.758 14.872 -29.478 1.00 0.00 C ATOM 1078 O ASP A 70 -4.227 15.937 -29.792 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.768 14.799 -28.002 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.350 16.055 -27.290 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.826 17.152 -27.682 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.600 15.968 -26.286 1.00 0.00 O ATOM 0 H ASP A 70 -7.254 12.907 -29.504 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.684 15.599 -29.970 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.856 14.729 -28.000 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.392 13.933 -27.457 1.00 0.00 H new ATOM 1087 N LEU A 71 -4.097 13.756 -29.247 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.649 13.666 -29.299 1.00 0.00 C ATOM 1089 C LEU A 71 -2.132 14.108 -30.650 1.00 0.00 C ATOM 1090 O LEU A 71 -1.225 14.916 -30.743 1.00 0.00 O ATOM 1091 CB LEU A 71 -2.190 12.230 -29.029 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.691 11.902 -27.627 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.797 12.024 -26.591 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -1.077 10.518 -27.620 1.00 0.00 C ATOM 0 H LEU A 71 -4.554 12.874 -29.015 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.247 14.325 -28.530 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.022 11.563 -29.254 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.393 11.994 -29.734 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.927 12.629 -27.352 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.400 11.782 -25.605 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.181 13.044 -26.587 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.604 11.333 -26.837 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.720 10.283 -26.617 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.827 9.786 -27.919 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.241 10.487 -28.319 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.749 13.618 -31.684 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.316 13.913 -33.022 1.00 0.00 C ATOM 1108 C ILE A 72 -2.691 15.345 -33.405 1.00 0.00 C ATOM 1109 O ILE A 72 -1.872 16.093 -33.945 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.949 12.922 -34.012 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.521 11.508 -33.656 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.534 13.248 -35.444 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.478 10.464 -34.124 1.00 0.00 C ATOM 0 H ILE A 72 -3.563 13.005 -31.627 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.231 13.815 -33.063 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.034 13.003 -33.945 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.541 11.313 -34.091 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.411 11.431 -32.574 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.994 12.534 -36.127 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.862 14.256 -35.697 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.449 13.187 -35.531 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.111 9.479 -33.836 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.454 10.635 -33.669 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.570 10.515 -35.209 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.910 15.734 -33.074 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.427 17.038 -33.455 1.00 0.00 C ATOM 1127 C ARG A 73 -3.690 18.178 -32.755 1.00 0.00 C ATOM 1128 O ARG A 73 -3.545 19.256 -33.317 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.942 17.134 -33.238 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.722 16.026 -33.937 1.00 0.00 C ATOM 1131 CD ARG A 73 -8.224 16.236 -33.876 1.00 0.00 C ATOM 1132 NE ARG A 73 -8.738 16.317 -32.500 1.00 0.00 N ATOM 1133 CZ ARG A 73 -9.982 15.963 -32.140 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -10.861 15.543 -33.058 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -10.361 16.066 -30.876 1.00 0.00 N ATOM 0 H ARG A 73 -4.564 15.162 -32.539 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.241 17.147 -34.524 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.152 17.098 -32.169 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.293 18.100 -33.600 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.410 15.970 -34.980 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.475 15.069 -33.478 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.479 17.153 -34.408 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.721 15.417 -34.396 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.110 16.664 -31.774 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.588 15.490 -34.039 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.804 15.276 -32.776 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.708 16.415 -30.174 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.306 15.797 -30.603 1.00 0.00 H new ATOM 1149 N LEU A 74 -3.178 17.945 -31.552 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.442 18.998 -30.880 1.00 0.00 C ATOM 1151 C LEU A 74 -0.996 19.045 -31.403 1.00 0.00 C ATOM 1152 O LEU A 74 -0.294 20.031 -31.236 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.548 18.899 -29.329 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.757 17.803 -28.604 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -0.370 18.300 -28.220 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.508 17.324 -27.379 1.00 0.00 C ATOM 0 H LEU A 74 -3.256 17.067 -31.040 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.902 19.956 -31.123 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.238 19.859 -28.915 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.600 18.768 -29.078 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.640 16.962 -29.287 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.172 17.506 -27.707 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.175 18.589 -29.119 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.462 19.162 -27.559 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.930 16.547 -26.879 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.660 18.160 -26.696 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.475 16.921 -27.680 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.578 17.981 -32.094 1.00 0.00 N ATOM 1169 CA LYS A 75 0.733 17.955 -32.732 1.00 0.00 C ATOM 1170 C LYS A 75 0.658 18.588 -34.102 1.00 0.00 C ATOM 1171 O LYS A 75 1.665 18.884 -34.729 1.00 0.00 O ATOM 1172 CB LYS A 75 1.346 16.540 -32.806 1.00 0.00 C ATOM 1173 CG LYS A 75 2.226 16.168 -31.607 1.00 0.00 C ATOM 1174 CD LYS A 75 1.458 16.156 -30.312 1.00 0.00 C ATOM 1175 CE LYS A 75 2.359 15.978 -29.111 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.108 14.713 -29.134 1.00 0.00 N ATOM 0 H LYS A 75 -1.128 17.132 -32.223 1.00 0.00 H new ATOM 0 HA LYS A 75 1.404 18.539 -32.103 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.539 15.812 -32.889 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.941 16.462 -33.716 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.666 15.185 -31.774 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.050 16.877 -31.531 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.904 17.089 -30.212 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.724 15.350 -30.335 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.063 16.809 -29.066 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.757 16.020 -28.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.315 14.414 -28.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.540 13.982 -29.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.000 14.847 -29.651 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.553 18.842 -34.542 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.779 19.503 -35.799 1.00 0.00 C ATOM 1192 C CYS A 76 -0.539 21.010 -35.618 1.00 0.00 C ATOM 1193 O CYS A 76 -0.412 21.763 -36.577 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.196 19.215 -36.291 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.584 19.822 -37.950 1.00 0.00 S ATOM 0 H CYS A 76 -1.405 18.596 -34.037 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.087 19.129 -36.553 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.357 18.137 -36.271 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.902 19.656 -35.588 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.737 19.353 -38.325 1.00 0.00 H new ATOM 1201 N LEU A 77 -0.437 21.425 -34.362 1.00 0.00 N ATOM 1202 CA LEU A 77 -0.157 22.806 -34.007 1.00 0.00 C ATOM 1203 C LEU A 77 1.346 23.067 -34.136 1.00 0.00 C ATOM 1204 O LEU A 77 1.823 24.190 -33.990 1.00 0.00 O ATOM 1205 CB LEU A 77 -0.596 23.062 -32.566 1.00 0.00 C ATOM 1206 CG LEU A 77 -2.053 22.704 -32.226 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -2.356 23.000 -30.769 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -3.023 23.435 -33.134 1.00 0.00 C ATOM 0 H LEU A 77 -0.547 20.807 -33.558 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.703 23.472 -34.675 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.059 22.497 -31.903 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.442 24.118 -32.343 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.180 21.634 -32.391 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.392 22.739 -30.552 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.693 22.413 -30.133 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.201 24.061 -30.573 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.045 23.162 -32.870 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.893 24.511 -33.015 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.830 23.158 -34.171 1.00 0.00 H new ATOM 1220 N ASP A 78 2.080 22.000 -34.366 1.00 0.00 N ATOM 1221 CA ASP A 78 3.523 22.063 -34.559 1.00 0.00 C ATOM 1222 C ASP A 78 3.794 22.292 -36.024 1.00 0.00 C ATOM 1223 O ASP A 78 4.602 23.151 -36.413 1.00 0.00 O ATOM 1224 CB ASP A 78 4.150 20.731 -34.167 1.00 0.00 C ATOM 1225 CG ASP A 78 5.663 20.776 -34.062 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.361 20.869 -35.094 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.190 20.683 -32.931 1.00 0.00 O ATOM 0 H ASP A 78 1.696 21.057 -34.426 1.00 0.00 H new ATOM 0 HA ASP A 78 3.941 22.864 -33.950 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.738 20.413 -33.209 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.868 19.977 -34.902 1.00 0.00 H new ATOM 1232 N LEU A 79 3.094 21.525 -36.832 1.00 0.00 N ATOM 1233 CA LEU A 79 3.244 21.560 -38.282 1.00 0.00 C ATOM 1234 C LEU A 79 2.592 22.845 -38.878 1.00 0.00 C ATOM 1235 O LEU A 79 1.927 23.590 -38.139 1.00 0.00 O ATOM 1236 CB LEU A 79 2.665 20.242 -38.867 1.00 0.00 C ATOM 1237 CG LEU A 79 1.153 20.013 -38.751 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.382 20.766 -39.812 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.841 18.548 -38.803 1.00 0.00 C ATOM 0 H LEU A 79 2.399 20.854 -36.505 1.00 0.00 H new ATOM 0 HA LEU A 79 4.297 21.617 -38.560 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.930 20.199 -39.923 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.169 19.408 -38.378 1.00 0.00 H new ATOM 0 HG LEU A 79 0.834 20.406 -37.785 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.684 20.575 -39.692 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.573 21.834 -39.711 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.701 20.432 -40.799 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.236 18.402 -38.719 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.191 18.135 -39.749 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.341 18.040 -37.978 1.00 0.00 H new ATOM 1251 N PRO A 80 2.766 23.130 -40.217 1.00 0.00 N ATOM 1252 CA PRO A 80 2.185 24.320 -40.840 1.00 0.00 C ATOM 1253 C PRO A 80 0.650 24.375 -40.735 1.00 0.00 C ATOM 1254 O PRO A 80 0.117 25.108 -39.901 1.00 0.00 O ATOM 1255 CB PRO A 80 2.620 24.266 -42.308 1.00 0.00 C ATOM 1256 CG PRO A 80 3.646 23.188 -42.410 1.00 0.00 C ATOM 1257 CD PRO A 80 3.549 22.331 -41.187 1.00 0.00 C ATOM 0 HA PRO A 80 2.534 25.217 -40.328 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.770 24.054 -42.956 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.032 25.224 -42.625 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.481 22.590 -43.307 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.643 23.620 -42.493 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.056 21.384 -41.407 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.537 22.092 -40.794 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.049 23.577 -41.545 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.524 23.555 -41.548 1.00 0.00 C ATOM 1267 C ASP A 81 -2.036 22.489 -42.487 1.00 0.00 C ATOM 1268 O ASP A 81 -1.635 22.440 -43.655 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.118 24.921 -41.954 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.637 24.920 -42.024 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.293 24.916 -40.960 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -4.198 24.969 -43.149 1.00 0.00 O ATOM 0 H ASP A 81 0.379 22.934 -42.211 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.842 23.332 -40.530 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.795 25.677 -41.238 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.717 25.209 -42.926 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.890 21.638 -41.973 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.517 20.582 -42.723 1.00 0.00 C ATOM 1279 C ILE A 82 -4.828 20.226 -42.073 1.00 0.00 C ATOM 1280 O ILE A 82 -4.873 19.849 -40.907 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.620 19.295 -42.885 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.427 18.120 -43.476 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.949 18.903 -41.585 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.615 16.858 -43.694 1.00 0.00 C ATOM 0 H ILE A 82 -3.175 21.663 -40.994 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.676 20.960 -43.733 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.828 19.544 -43.591 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.259 17.893 -42.809 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.857 18.431 -44.428 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.342 18.012 -41.743 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.313 19.720 -41.243 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.709 18.695 -40.832 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.255 16.081 -44.111 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.799 17.066 -44.386 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.207 16.519 -42.742 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.891 20.409 -42.791 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.188 20.012 -42.305 1.00 0.00 C ATOM 1298 C ASP A 83 -7.379 18.543 -42.630 1.00 0.00 C ATOM 1299 O ASP A 83 -7.703 18.178 -43.770 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.300 20.853 -42.944 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.672 20.538 -42.382 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.339 19.598 -42.860 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.116 21.228 -41.447 1.00 0.00 O ATOM 0 H ASP A 83 -5.893 20.832 -43.719 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.243 20.173 -41.228 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.083 21.910 -42.790 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.305 20.682 -44.020 1.00 0.00 H new ATOM 1308 N PHE A 84 -7.097 17.697 -41.675 1.00 0.00 N ATOM 1309 CA PHE A 84 -7.212 16.274 -41.887 1.00 0.00 C ATOM 1310 C PHE A 84 -8.251 15.690 -40.971 1.00 0.00 C ATOM 1311 O PHE A 84 -8.663 16.325 -39.976 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.856 15.541 -41.695 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.261 15.623 -40.300 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -5.613 14.708 -39.315 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -4.349 16.606 -39.985 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -5.064 14.784 -38.050 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -3.797 16.686 -38.723 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.155 15.776 -37.754 1.00 0.00 C ATOM 0 H PHE A 84 -6.786 17.966 -40.742 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.520 16.126 -42.922 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.991 14.490 -41.952 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.137 15.953 -42.403 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.325 13.928 -39.542 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.062 17.325 -40.738 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.347 14.067 -37.294 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.083 17.464 -38.495 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.725 15.840 -36.765 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.669 14.511 -41.281 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.609 13.800 -40.473 1.00 0.00 C ATOM 1330 C ASP A 85 -9.035 12.435 -40.256 1.00 0.00 C ATOM 1331 O ASP A 85 -8.426 11.878 -41.163 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.950 13.698 -41.190 1.00 0.00 C ATOM 1333 CG ASP A 85 -12.074 13.333 -40.260 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.597 14.241 -39.583 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.482 12.161 -40.208 1.00 0.00 O ATOM 0 H ASP A 85 -8.366 14.004 -42.113 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.781 14.312 -39.526 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.175 14.650 -41.670 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.880 12.951 -41.981 1.00 0.00 H new ATOM 1340 N LEU A 86 -9.135 11.921 -39.081 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.598 10.627 -38.819 1.00 0.00 C ATOM 1342 C LEU A 86 -9.650 9.764 -38.188 1.00 0.00 C ATOM 1343 O LEU A 86 -10.627 10.268 -37.614 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.381 10.692 -37.886 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.671 10.963 -36.394 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.494 10.614 -35.555 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -8.051 12.402 -36.138 1.00 0.00 C ATOM 0 H LEU A 86 -9.583 12.374 -38.284 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.277 10.205 -39.771 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.841 9.748 -37.963 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.713 11.472 -38.251 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.517 10.332 -36.123 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.722 10.813 -34.508 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.258 9.557 -35.680 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.638 11.215 -35.861 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.245 12.543 -35.075 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.235 13.054 -36.448 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.948 12.648 -36.707 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.476 8.503 -38.307 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.325 7.560 -37.685 1.00 0.00 C ATOM 1361 C ASN A 87 -9.497 6.604 -36.873 1.00 0.00 C ATOM 1362 O ASN A 87 -8.651 5.889 -37.419 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.139 6.800 -38.729 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.971 5.703 -38.116 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.424 4.522 -38.067 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -13.105 5.923 -37.702 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.721 8.087 -38.853 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.020 8.084 -37.029 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.791 7.497 -39.256 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.465 6.371 -39.471 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.495 6.864 -37.760 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.657 5.165 -37.300 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.689 6.623 -35.591 1.00 0.00 N ATOM 1374 CA ILE A 88 -9.029 5.688 -34.721 1.00 0.00 C ATOM 1375 C ILE A 88 -9.842 4.399 -34.652 1.00 0.00 C ATOM 1376 O ILE A 88 -11.074 4.427 -34.666 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.872 6.251 -33.292 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -8.015 7.520 -33.286 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.250 5.193 -32.379 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.600 7.291 -33.736 1.00 0.00 C ATOM 0 H ILE A 88 -10.304 7.283 -35.115 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.036 5.498 -35.129 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.863 6.512 -32.920 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.478 8.264 -33.934 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.004 7.937 -32.279 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.143 5.598 -31.373 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.894 4.314 -32.349 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.270 4.912 -32.763 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.052 8.233 -33.706 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.120 6.571 -33.074 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.600 6.903 -34.755 1.00 0.00 H new ATOM 1392 N MET A 89 -9.159 3.298 -34.635 1.00 0.00 N ATOM 1393 CA MET A 89 -9.753 2.013 -34.459 1.00 0.00 C ATOM 1394 C MET A 89 -8.717 1.148 -33.770 1.00 0.00 C ATOM 1395 O MET A 89 -7.557 1.523 -33.701 1.00 0.00 O ATOM 1396 CB MET A 89 -10.144 1.398 -35.824 1.00 0.00 C ATOM 1397 CG MET A 89 -8.965 0.925 -36.670 1.00 0.00 C ATOM 1398 SD MET A 89 -9.447 0.336 -38.303 1.00 0.00 S ATOM 1399 CE MET A 89 -9.782 1.857 -39.151 1.00 0.00 C ATOM 0 H MET A 89 -8.146 3.269 -34.746 1.00 0.00 H new ATOM 0 HA MET A 89 -10.665 2.086 -33.866 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.811 0.553 -35.649 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.708 2.137 -36.392 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.256 1.745 -36.782 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.446 0.125 -36.142 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.552 1.741 -40.210 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.835 2.114 -39.034 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.165 2.651 -38.731 1.00 0.00 H new ATOM 1409 N THR A 90 -9.109 0.063 -33.215 1.00 0.00 N ATOM 1410 CA THR A 90 -8.162 -0.886 -32.699 1.00 0.00 C ATOM 1411 C THR A 90 -7.532 -1.646 -33.851 1.00 0.00 C ATOM 1412 O THR A 90 -8.089 -1.703 -34.948 1.00 0.00 O ATOM 1413 CB THR A 90 -8.850 -1.884 -31.767 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.021 -2.383 -32.411 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.205 -1.240 -30.446 1.00 0.00 C ATOM 0 H THR A 90 -10.087 -0.203 -33.100 1.00 0.00 H new ATOM 0 HA THR A 90 -7.399 -0.344 -32.140 1.00 0.00 H new ATOM 0 HB THR A 90 -8.167 -2.706 -31.556 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.469 -3.026 -31.822 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.693 -1.973 -29.803 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.298 -0.880 -29.961 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.881 -0.403 -30.619 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.377 -2.196 -33.613 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.696 -3.040 -34.582 1.00 0.00 C ATOM 1425 C VAL A 91 -6.606 -4.215 -35.019 1.00 0.00 C ATOM 1426 O VAL A 91 -6.654 -4.575 -36.208 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.364 -3.551 -33.985 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.731 -4.648 -34.821 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.380 -2.418 -33.833 1.00 0.00 C ATOM 0 H VAL A 91 -5.868 -2.077 -32.737 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.471 -2.452 -35.472 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.607 -3.970 -33.009 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.799 -4.969 -34.355 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.414 -5.495 -34.887 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.525 -4.269 -35.822 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.450 -2.798 -33.411 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.182 -1.975 -34.809 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.797 -1.661 -33.169 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.361 -4.750 -34.061 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.321 -5.832 -34.314 1.00 0.00 C ATOM 1441 C ASP A 92 -9.363 -5.381 -35.304 1.00 0.00 C ATOM 1442 O ASP A 92 -9.682 -6.083 -36.262 1.00 0.00 O ATOM 1443 CB ASP A 92 -9.040 -6.257 -33.028 1.00 0.00 C ATOM 1444 CG ASP A 92 -8.152 -6.912 -32.018 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -7.776 -8.086 -32.210 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -7.840 -6.285 -30.984 1.00 0.00 O ATOM 0 H ASP A 92 -7.327 -4.448 -33.087 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.757 -6.677 -34.708 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.501 -5.379 -32.575 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.847 -6.943 -33.286 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.833 -4.167 -35.113 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.890 -3.608 -35.947 1.00 0.00 C ATOM 1453 C ASP A 93 -10.352 -3.101 -37.255 1.00 0.00 C ATOM 1454 O ASP A 93 -11.103 -2.714 -38.151 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.689 -2.528 -35.216 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.848 -3.084 -34.406 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -12.649 -3.960 -33.538 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -14.013 -2.665 -34.658 1.00 0.00 O ATOM 0 H ASP A 93 -9.500 -3.539 -34.382 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.581 -4.421 -36.168 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.021 -1.978 -34.552 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.073 -1.814 -35.945 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.057 -3.118 -37.371 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.407 -2.729 -38.574 1.00 0.00 C ATOM 1465 C TYR A 94 -8.203 -3.915 -39.474 1.00 0.00 C ATOM 1466 O TYR A 94 -8.695 -3.946 -40.609 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.083 -2.054 -38.273 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.223 -1.771 -39.483 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.538 -0.755 -40.376 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.074 -2.511 -39.710 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -5.720 -0.493 -41.459 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.262 -2.261 -40.787 1.00 0.00 C ATOM 1473 CZ TYR A 94 -4.583 -1.255 -41.658 1.00 0.00 C ATOM 1474 OH TYR A 94 -3.761 -1.001 -42.733 1.00 0.00 O ATOM 0 H TYR A 94 -8.423 -3.405 -36.625 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.046 -2.013 -39.091 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.280 -1.114 -37.758 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.519 -2.683 -37.584 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.429 -0.165 -40.223 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.812 -3.302 -39.024 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.967 0.303 -42.146 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.374 -2.855 -40.947 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.007 -1.627 -42.723 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.509 -4.908 -38.959 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.178 -6.101 -39.725 1.00 0.00 C ATOM 1486 C PHE A 95 -8.378 -6.921 -40.112 1.00 0.00 C ATOM 1487 O PHE A 95 -8.316 -7.715 -41.034 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.139 -6.948 -39.033 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.758 -6.381 -39.162 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.223 -6.132 -40.418 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.001 -6.072 -38.049 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -2.968 -5.593 -40.558 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.739 -5.528 -38.187 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.223 -5.288 -39.444 1.00 0.00 C ATOM 0 H PHE A 95 -7.157 -4.916 -38.002 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.747 -5.733 -40.656 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.394 -7.039 -37.977 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.156 -7.954 -39.453 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.803 -6.366 -41.299 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.399 -6.257 -37.062 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.566 -5.409 -41.543 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.155 -5.290 -37.310 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.237 -4.862 -39.552 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.453 -6.721 -39.419 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.707 -7.373 -39.747 1.00 0.00 C ATOM 1506 C ARG A 96 -11.247 -6.879 -41.109 1.00 0.00 C ATOM 1507 O ARG A 96 -12.050 -7.552 -41.740 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.744 -7.176 -38.606 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.285 -5.753 -38.426 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.486 -5.466 -39.332 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.670 -6.233 -38.922 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.186 -7.301 -39.553 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -14.616 -7.791 -40.657 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.274 -7.880 -39.060 1.00 0.00 N ATOM 0 H ARG A 96 -9.500 -6.104 -38.608 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.525 -8.444 -39.842 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.586 -7.843 -38.789 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.286 -7.490 -37.668 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.575 -5.606 -37.386 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.492 -5.036 -38.640 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.715 -4.401 -39.306 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.232 -5.712 -40.363 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.147 -5.924 -38.075 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.775 -7.354 -41.034 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.021 -8.603 -41.123 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.707 -7.513 -38.213 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.677 -8.692 -39.529 1.00 0.00 H new ATOM 1528 N GLN A 97 -10.814 -5.690 -41.540 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.283 -5.123 -42.810 1.00 0.00 C ATOM 1530 C GLN A 97 -10.397 -5.620 -43.927 1.00 0.00 C ATOM 1531 O GLN A 97 -10.856 -5.938 -45.026 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.189 -3.603 -42.785 1.00 0.00 C ATOM 1533 CG GLN A 97 -11.840 -2.954 -41.593 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.568 -1.474 -41.545 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -10.441 -1.132 -41.009 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -12.340 -0.655 -42.051 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.147 -5.106 -41.035 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.319 -5.425 -42.962 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.138 -3.317 -42.809 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.647 -3.209 -43.692 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.916 -3.125 -41.628 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.473 -3.421 -40.679 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.219 -0.969 -42.463 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.099 0.336 -42.058 1.00 0.00 H new