USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 39 GLN : amide:sc= -7.14! C(o=-6.2!,f=-12!) USER MOD Set 1.2: A 59 TYR OH : rot -79:sc= 0.975 USER MOD Single : A 14 SER OG : rot 180:sc= -1.31 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 124:sc= -1.12 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.867! USER MOD Single : A 35 ASN : amide:sc= -2.66! C(o=-2.7!,f=-2.9!) USER MOD Single : A 36 THR OG1 : rot 97:sc= 0.92 USER MOD Single : A 41 HIS : no HE2:sc= -2.15 K(o=-2.1,f=-3!) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.227 F(o=-1.4,f=-0.23) USER MOD Single : A 47 CYS SG : rot -70:sc= 0.96 USER MOD Single : A 48 SER OG : rot 73:sc= 0.908 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 140:sc= -2.02 USER MOD Single : A 64 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.42) USER MOD Single : A 68 CYS SG : rot 9:sc= -2.35! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 142:sc= -1.07 (180deg=-3.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -108:sc= -4.89! (180deg=-6.24!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -0.627 15.440 -12.130 1.00 0.00 N ATOM 121 CA ARG A 12 -1.159 14.634 -13.216 1.00 0.00 C ATOM 122 C ARG A 12 -1.059 13.147 -12.871 1.00 0.00 C ATOM 123 O ARG A 12 0.024 12.646 -12.572 1.00 0.00 O ATOM 124 CB ARG A 12 -0.403 14.900 -14.519 1.00 0.00 C ATOM 125 CG ARG A 12 -1.340 14.802 -15.726 1.00 0.00 C ATOM 126 CD ARG A 12 -1.146 13.476 -16.464 1.00 0.00 C ATOM 127 NE ARG A 12 0.014 13.571 -17.379 1.00 0.00 N ATOM 128 CZ ARG A 12 0.624 12.513 -17.930 1.00 0.00 C ATOM 129 NH1 ARG A 12 0.189 11.274 -17.663 1.00 0.00 N ATOM 130 NH2 ARG A 12 1.669 12.694 -18.749 1.00 0.00 N ATOM 0 HA ARG A 12 -2.205 14.909 -13.353 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.050 15.891 -14.485 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.410 14.181 -14.625 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.375 14.890 -15.396 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.151 15.632 -16.406 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.989 12.671 -15.747 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.045 13.229 -17.028 1.00 0.00 H new ATOM 0 HE ARG A 12 0.371 14.500 -17.604 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.607 11.136 -17.040 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.654 10.469 -18.083 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.000 13.637 -18.953 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.134 11.889 -19.169 1.00 0.00 H new ATOM 144 N TRP A 13 -2.204 12.482 -12.925 1.00 0.00 N ATOM 145 CA TRP A 13 -2.260 11.062 -12.622 1.00 0.00 C ATOM 146 C TRP A 13 -2.569 10.314 -13.920 1.00 0.00 C ATOM 147 O TRP A 13 -3.137 10.884 -14.850 1.00 0.00 O ATOM 148 CB TRP A 13 -3.274 10.777 -11.512 1.00 0.00 C ATOM 149 CG TRP A 13 -2.843 11.279 -10.132 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.946 12.519 -9.636 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.233 10.495 -9.085 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.449 12.593 -8.351 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.002 11.323 -8.005 1.00 0.00 C ATOM 154 CE3 TRP A 13 -1.889 9.133 -9.050 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.417 10.881 -6.812 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.305 8.707 -7.851 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.066 9.527 -6.755 1.00 0.00 C ATOM 0 H TRP A 13 -3.100 12.901 -13.174 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.302 10.712 -12.237 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.225 11.240 -11.775 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.447 9.702 -11.459 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.365 13.356 -10.174 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.416 13.426 -7.763 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.062 8.467 -9.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.246 11.549 -5.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.020 7.668 -7.772 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.611 9.122 -5.863 1.00 0.00 H new ATOM 168 N SER A 14 -2.181 9.047 -13.942 1.00 0.00 N ATOM 169 CA SER A 14 -2.409 8.215 -15.111 1.00 0.00 C ATOM 170 C SER A 14 -3.717 7.436 -14.952 1.00 0.00 C ATOM 171 O SER A 14 -4.407 7.574 -13.943 1.00 0.00 O ATOM 172 CB SER A 14 -1.243 7.251 -15.337 1.00 0.00 C ATOM 173 OG SER A 14 -0.703 7.365 -16.651 1.00 0.00 O ATOM 0 H SER A 14 -1.710 8.577 -13.169 1.00 0.00 H new ATOM 0 HA SER A 14 -2.483 8.864 -15.983 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.460 7.451 -14.605 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.581 6.228 -15.171 1.00 0.00 H new ATOM 0 HG SER A 14 0.040 6.735 -16.755 1.00 0.00 H new ATOM 179 N PRO A 15 -4.027 6.615 -15.990 1.00 0.00 N ATOM 180 CA PRO A 15 -5.240 5.815 -15.975 1.00 0.00 C ATOM 181 C PRO A 15 -5.098 4.622 -15.028 1.00 0.00 C ATOM 182 O PRO A 15 -4.000 4.098 -14.844 1.00 0.00 O ATOM 183 CB PRO A 15 -5.457 5.402 -17.422 1.00 0.00 C ATOM 184 CG PRO A 15 -4.117 5.592 -18.115 1.00 0.00 C ATOM 185 CD PRO A 15 -3.234 6.426 -17.202 1.00 0.00 C ATOM 0 HA PRO A 15 -6.102 6.365 -15.598 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.787 4.365 -17.487 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.229 6.012 -17.891 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.652 4.627 -18.318 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.251 6.090 -19.075 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.295 5.916 -16.985 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.979 7.381 -17.662 1.00 0.00 H new ATOM 193 N PRO A 16 -6.254 4.216 -14.437 1.00 0.00 N ATOM 194 CA PRO A 16 -6.269 3.095 -13.514 1.00 0.00 C ATOM 195 C PRO A 16 -6.145 1.766 -14.262 1.00 0.00 C ATOM 196 O PRO A 16 -6.561 1.658 -15.415 1.00 0.00 O ATOM 197 CB PRO A 16 -7.578 3.229 -12.753 1.00 0.00 C ATOM 198 CG PRO A 16 -8.456 4.142 -13.593 1.00 0.00 C ATOM 199 CD PRO A 16 -7.572 4.813 -14.632 1.00 0.00 C ATOM 0 HA PRO A 16 -5.422 3.104 -12.828 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.049 2.256 -12.611 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.412 3.650 -11.761 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.248 3.570 -14.077 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.941 4.889 -12.965 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.942 4.635 -15.642 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.543 5.893 -14.489 1.00 0.00 H new ATOM 207 N ARG A 17 -5.572 0.788 -13.577 1.00 0.00 N ATOM 208 CA ARG A 17 -5.389 -0.529 -14.162 1.00 0.00 C ATOM 209 C ARG A 17 -6.322 -1.541 -13.494 1.00 0.00 C ATOM 210 O ARG A 17 -6.673 -1.390 -12.325 1.00 0.00 O ATOM 211 CB ARG A 17 -3.942 -1.002 -14.012 1.00 0.00 C ATOM 212 CG ARG A 17 -3.496 -0.946 -12.550 1.00 0.00 C ATOM 213 CD ARG A 17 -2.089 -1.523 -12.383 1.00 0.00 C ATOM 214 NE ARG A 17 -1.078 -0.466 -12.612 1.00 0.00 N ATOM 215 CZ ARG A 17 0.212 -0.707 -12.885 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.656 -1.969 -12.965 1.00 0.00 N ATOM 217 NH2 ARG A 17 1.058 0.314 -13.079 1.00 0.00 N ATOM 0 H ARG A 17 -5.228 0.881 -12.621 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.627 -0.457 -15.223 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.848 -2.022 -14.386 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.287 -0.378 -14.620 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.513 0.086 -12.200 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.198 -1.504 -11.930 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.973 -1.937 -11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.937 -2.342 -13.086 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.382 0.506 -12.559 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.012 -2.746 -12.818 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.638 -2.152 -13.173 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.720 1.275 -13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.040 0.131 -13.287 1.00 0.00 H new ATOM 231 N GLY A 18 -6.696 -2.552 -14.266 1.00 0.00 N ATOM 232 CA GLY A 18 -7.581 -3.589 -13.763 1.00 0.00 C ATOM 233 C GLY A 18 -6.786 -4.816 -13.312 1.00 0.00 C ATOM 234 O GLY A 18 -6.210 -5.524 -14.136 1.00 0.00 O ATOM 0 H GLY A 18 -6.402 -2.675 -15.235 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.164 -3.201 -12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.290 -3.876 -14.540 1.00 0.00 H new ATOM 238 N ILE A 19 -6.782 -5.030 -12.004 1.00 0.00 N ATOM 239 CA ILE A 19 -6.068 -6.159 -11.433 1.00 0.00 C ATOM 240 C ILE A 19 -7.074 -7.230 -11.005 1.00 0.00 C ATOM 241 O ILE A 19 -8.211 -6.914 -10.659 1.00 0.00 O ATOM 242 CB ILE A 19 -5.146 -5.694 -10.304 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.449 -4.382 -10.669 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.146 -6.789 -9.927 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.447 -3.974 -9.588 1.00 0.00 C ATOM 0 H ILE A 19 -7.262 -4.441 -11.324 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.416 -6.614 -12.179 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.757 -5.499 -9.423 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.934 -4.493 -11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.192 -3.595 -10.797 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.503 -6.433 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.686 -7.676 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.536 -7.040 -10.795 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.966 -3.038 -9.872 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.969 -3.840 -8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.692 -4.752 -9.480 1.00 0.00 H new ATOM 257 N HIS A 20 -6.618 -8.473 -11.043 1.00 0.00 N ATOM 258 CA HIS A 20 -7.464 -9.592 -10.663 1.00 0.00 C ATOM 259 C HIS A 20 -6.656 -10.586 -9.827 1.00 0.00 C ATOM 260 O HIS A 20 -5.749 -11.241 -10.339 1.00 0.00 O ATOM 261 CB HIS A 20 -8.100 -10.235 -11.897 1.00 0.00 C ATOM 262 CG HIS A 20 -7.221 -10.211 -13.125 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.467 -9.384 -14.207 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.096 -10.919 -13.429 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.527 -9.594 -15.116 1.00 0.00 C ATOM 266 NE2 HIS A 20 -5.678 -10.546 -14.633 1.00 0.00 N ATOM 0 H HIS A 20 -5.674 -8.730 -11.331 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.288 -9.236 -10.044 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.354 -11.269 -11.665 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.034 -9.720 -12.121 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.625 -11.658 -12.798 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.447 -9.098 -16.072 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.858 -10.911 -15.117 1.00 0.00 H new ATOM 274 N PHE A 21 -7.013 -10.667 -8.554 1.00 0.00 N ATOM 275 CA PHE A 21 -6.333 -11.570 -7.641 1.00 0.00 C ATOM 276 C PHE A 21 -7.250 -11.977 -6.486 1.00 0.00 C ATOM 277 O PHE A 21 -8.342 -11.431 -6.335 1.00 0.00 O ATOM 278 CB PHE A 21 -5.128 -10.812 -7.078 1.00 0.00 C ATOM 279 CG PHE A 21 -5.501 -9.621 -6.193 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.776 -8.415 -6.758 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.557 -9.768 -4.842 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.122 -7.309 -5.937 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.902 -8.662 -4.021 1.00 0.00 C ATOM 284 CZ PHE A 21 -6.178 -7.456 -4.586 1.00 0.00 C ATOM 0 H PHE A 21 -7.765 -10.122 -8.133 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.034 -12.476 -8.168 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.515 -11.503 -6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.515 -10.458 -7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.731 -8.298 -7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.339 -10.726 -4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.341 -6.351 -6.385 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.945 -8.778 -2.948 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.442 -6.615 -3.962 1.00 0.00 H new ATOM 294 N THR A 22 -6.772 -12.931 -5.701 1.00 0.00 N ATOM 295 CA THR A 22 -7.536 -13.417 -4.565 1.00 0.00 C ATOM 296 C THR A 22 -6.867 -12.998 -3.254 1.00 0.00 C ATOM 297 O THR A 22 -5.825 -13.538 -2.885 1.00 0.00 O ATOM 298 CB THR A 22 -7.690 -14.932 -4.712 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.791 -15.085 -5.603 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.161 -15.601 -3.419 1.00 0.00 C ATOM 0 H THR A 22 -5.865 -13.380 -5.829 1.00 0.00 H new ATOM 0 HA THR A 22 -8.532 -12.976 -4.540 1.00 0.00 H new ATOM 0 HB THR A 22 -6.738 -15.365 -5.019 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.518 -15.630 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.254 -16.675 -3.578 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.436 -15.413 -2.627 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.129 -15.192 -3.129 1.00 0.00 H new ATOM 308 N VAL A 23 -7.493 -12.040 -2.587 1.00 0.00 N ATOM 309 CA VAL A 23 -6.971 -11.543 -1.326 1.00 0.00 C ATOM 310 C VAL A 23 -6.507 -12.723 -0.470 1.00 0.00 C ATOM 311 O VAL A 23 -6.875 -13.867 -0.732 1.00 0.00 O ATOM 312 CB VAL A 23 -8.022 -10.676 -0.630 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.633 -10.404 0.825 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.247 -9.368 -1.391 1.00 0.00 C ATOM 0 H VAL A 23 -8.357 -11.595 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.104 -10.905 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.962 -11.228 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.397 -9.786 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.549 -11.349 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.676 -9.883 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.999 -8.771 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.312 -8.810 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.591 -9.589 -2.401 1.00 0.00 H new ATOM 324 N GLU A 24 -5.705 -12.404 0.536 1.00 0.00 N ATOM 325 CA GLU A 24 -5.186 -13.424 1.431 1.00 0.00 C ATOM 326 C GLU A 24 -5.272 -12.949 2.883 1.00 0.00 C ATOM 327 O GLU A 24 -4.549 -12.039 3.286 1.00 0.00 O ATOM 328 CB GLU A 24 -3.750 -13.800 1.062 1.00 0.00 C ATOM 329 CG GLU A 24 -3.727 -14.957 0.060 1.00 0.00 C ATOM 330 CD GLU A 24 -3.060 -16.193 0.666 1.00 0.00 C ATOM 331 OE1 GLU A 24 -1.811 -16.204 0.703 1.00 0.00 O ATOM 332 OE2 GLU A 24 -3.815 -17.100 1.078 1.00 0.00 O ATOM 0 H GLU A 24 -5.402 -11.454 0.751 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.799 -14.319 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.242 -12.935 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.201 -14.081 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.745 -15.201 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.191 -14.654 -0.839 1.00 0.00 H new ATOM 339 N GLU A 25 -6.162 -13.586 3.629 1.00 0.00 N ATOM 340 CA GLU A 25 -6.352 -13.240 5.028 1.00 0.00 C ATOM 341 C GLU A 25 -5.316 -13.956 5.897 1.00 0.00 C ATOM 342 O GLU A 25 -5.664 -14.571 6.904 1.00 0.00 O ATOM 343 CB GLU A 25 -7.774 -13.568 5.486 1.00 0.00 C ATOM 344 CG GLU A 25 -8.658 -12.319 5.471 1.00 0.00 C ATOM 345 CD GLU A 25 -9.790 -12.436 6.493 1.00 0.00 C ATOM 346 OE1 GLU A 25 -9.464 -12.676 7.676 1.00 0.00 O ATOM 347 OE2 GLU A 25 -10.956 -12.284 6.069 1.00 0.00 O ATOM 0 H GLU A 25 -6.760 -14.340 3.291 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.210 -12.165 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.203 -14.329 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.748 -13.987 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.054 -11.439 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.076 -12.177 4.474 1.00 0.00 H new ATOM 354 N GLY A 26 -4.064 -13.852 5.477 1.00 0.00 N ATOM 355 CA GLY A 26 -2.976 -14.482 6.204 1.00 0.00 C ATOM 356 C GLY A 26 -1.623 -13.915 5.767 1.00 0.00 C ATOM 357 O GLY A 26 -0.748 -13.676 6.598 1.00 0.00 O ATOM 0 H GLY A 26 -3.779 -13.340 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.111 -14.326 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.995 -15.558 6.034 1.00 0.00 H new ATOM 361 N ASP A 27 -1.495 -13.715 4.464 1.00 0.00 N ATOM 362 CA ASP A 27 -0.264 -13.181 3.906 1.00 0.00 C ATOM 363 C ASP A 27 -0.588 -12.377 2.645 1.00 0.00 C ATOM 364 O ASP A 27 -0.617 -12.927 1.545 1.00 0.00 O ATOM 365 CB ASP A 27 0.698 -14.305 3.517 1.00 0.00 C ATOM 366 CG ASP A 27 1.859 -13.879 2.616 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.171 -12.669 2.627 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.409 -14.774 1.938 1.00 0.00 O ATOM 0 H ASP A 27 -2.223 -13.913 3.778 1.00 0.00 H new ATOM 0 HA ASP A 27 0.205 -12.552 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.106 -14.745 4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.133 -15.088 3.011 1.00 0.00 H new ATOM 373 N LEU A 28 -0.822 -11.089 2.847 1.00 0.00 N ATOM 374 CA LEU A 28 -1.142 -10.204 1.739 1.00 0.00 C ATOM 375 C LEU A 28 0.066 -10.107 0.805 1.00 0.00 C ATOM 376 O LEU A 28 -0.086 -9.828 -0.384 1.00 0.00 O ATOM 377 CB LEU A 28 -1.628 -8.850 2.259 1.00 0.00 C ATOM 378 CG LEU A 28 -3.066 -8.808 2.779 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.387 -7.444 3.394 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.058 -9.189 1.679 1.00 0.00 C ATOM 0 H LEU A 28 -0.797 -10.637 3.761 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.967 -10.609 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.963 -8.532 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.531 -8.119 1.456 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.165 -9.550 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.415 -7.441 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.709 -7.251 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.266 -6.667 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.073 -9.151 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.966 -8.489 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.843 -10.198 1.329 1.00 0.00 H new ATOM 392 N GLY A 29 1.237 -10.342 1.377 1.00 0.00 N ATOM 393 CA GLY A 29 2.470 -10.284 0.610 1.00 0.00 C ATOM 394 C GLY A 29 2.850 -8.836 0.291 1.00 0.00 C ATOM 395 O GLY A 29 3.810 -8.589 -0.438 1.00 0.00 O ATOM 0 H GLY A 29 1.359 -10.573 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.274 -10.760 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.353 -10.846 -0.317 1.00 0.00 H new ATOM 399 N PHE A 30 2.078 -7.918 0.853 1.00 0.00 N ATOM 400 CA PHE A 30 2.322 -6.502 0.638 1.00 0.00 C ATOM 401 C PHE A 30 1.642 -5.658 1.718 1.00 0.00 C ATOM 402 O PHE A 30 0.760 -6.143 2.426 1.00 0.00 O ATOM 403 CB PHE A 30 1.722 -6.146 -0.723 1.00 0.00 C ATOM 404 CG PHE A 30 0.192 -6.141 -0.747 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.492 -5.078 -0.247 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.483 -7.201 -1.268 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.912 -5.073 -0.269 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.903 -7.196 -1.290 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.588 -6.133 -0.789 1.00 0.00 C ATOM 0 H PHE A 30 1.283 -8.127 1.457 1.00 0.00 H new ATOM 0 HA PHE A 30 3.392 -6.299 0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.083 -5.162 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.084 -6.857 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.045 -4.237 0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.061 -8.046 -1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.455 -4.228 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.439 -8.037 -1.705 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.668 -6.130 -0.804 1.00 0.00 H new ATOM 419 N THR A 31 2.078 -4.410 1.811 1.00 0.00 N ATOM 420 CA THR A 31 1.522 -3.495 2.793 1.00 0.00 C ATOM 421 C THR A 31 1.123 -2.177 2.127 1.00 0.00 C ATOM 422 O THR A 31 1.341 -1.990 0.931 1.00 0.00 O ATOM 423 CB THR A 31 2.549 -3.323 3.914 1.00 0.00 C ATOM 424 OG1 THR A 31 2.427 -1.953 4.289 1.00 0.00 O ATOM 425 CG2 THR A 31 3.989 -3.444 3.412 1.00 0.00 C ATOM 0 H THR A 31 2.810 -4.011 1.223 1.00 0.00 H new ATOM 0 HA THR A 31 0.606 -3.893 3.230 1.00 0.00 H new ATOM 0 HB THR A 31 2.370 -4.069 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.057 -1.755 5.013 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.678 -3.314 4.247 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.138 -4.428 2.968 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.179 -2.676 2.662 1.00 0.00 H new ATOM 433 N LEU A 32 0.544 -1.296 2.930 1.00 0.00 N ATOM 434 CA LEU A 32 0.112 -0.001 2.434 1.00 0.00 C ATOM 435 C LEU A 32 0.864 1.103 3.179 1.00 0.00 C ATOM 436 O LEU A 32 1.243 0.929 4.337 1.00 0.00 O ATOM 437 CB LEU A 32 -1.410 0.126 2.520 1.00 0.00 C ATOM 438 CG LEU A 32 -2.215 -1.005 1.877 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.712 -0.829 2.136 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.902 -1.120 0.384 1.00 0.00 C ATOM 0 H LEU A 32 0.364 -1.454 3.921 1.00 0.00 H new ATOM 0 HA LEU A 32 0.358 0.103 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.690 0.193 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.703 1.066 2.052 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.916 -1.944 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.261 -1.646 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.899 -0.835 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.045 0.120 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.487 -1.931 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.155 -0.184 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.840 -1.327 0.250 1.00 0.00 H new ATOM 452 N ARG A 33 1.059 2.215 2.485 1.00 0.00 N ATOM 453 CA ARG A 33 1.760 3.347 3.067 1.00 0.00 C ATOM 454 C ARG A 33 0.758 4.372 3.604 1.00 0.00 C ATOM 455 O ARG A 33 -0.409 4.366 3.217 1.00 0.00 O ATOM 456 CB ARG A 33 2.667 4.022 2.037 1.00 0.00 C ATOM 457 CG ARG A 33 3.855 3.126 1.682 1.00 0.00 C ATOM 458 CD ARG A 33 5.149 3.661 2.299 1.00 0.00 C ATOM 459 NE ARG A 33 6.290 2.804 1.905 1.00 0.00 N ATOM 460 CZ ARG A 33 7.557 3.018 2.285 1.00 0.00 C ATOM 461 NH1 ARG A 33 7.853 4.062 3.071 1.00 0.00 N ATOM 462 NH2 ARG A 33 8.527 2.188 1.879 1.00 0.00 N ATOM 0 H ARG A 33 0.744 2.356 1.525 1.00 0.00 H new ATOM 0 HA ARG A 33 2.375 2.972 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.096 4.248 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.028 4.971 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.670 2.113 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.961 3.069 0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.322 4.685 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.060 3.686 3.385 1.00 0.00 H new ATOM 0 HE ARG A 33 6.100 2.000 1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.114 4.694 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.817 4.225 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.301 1.393 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.492 2.351 2.168 1.00 0.00 H new ATOM 476 N GLY A 34 1.251 5.227 4.488 1.00 0.00 N ATOM 477 CA GLY A 34 0.414 6.256 5.082 1.00 0.00 C ATOM 478 C GLY A 34 0.263 7.451 4.139 1.00 0.00 C ATOM 479 O GLY A 34 1.211 8.208 3.933 1.00 0.00 O ATOM 0 H GLY A 34 2.220 5.228 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.568 5.843 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.850 6.585 6.025 1.00 0.00 H new ATOM 483 N ASN A 35 -0.936 7.585 3.593 1.00 0.00 N ATOM 484 CA ASN A 35 -1.224 8.676 2.677 1.00 0.00 C ATOM 485 C ASN A 35 -2.360 8.263 1.739 1.00 0.00 C ATOM 486 O ASN A 35 -2.997 7.232 1.947 1.00 0.00 O ATOM 487 CB ASN A 35 -0.002 9.012 1.819 1.00 0.00 C ATOM 488 CG ASN A 35 0.739 10.230 2.374 1.00 0.00 C ATOM 489 OD1 ASN A 35 1.938 10.211 2.600 1.00 0.00 O ATOM 490 ND2 ASN A 35 -0.039 11.289 2.580 1.00 0.00 N ATOM 0 H ASN A 35 -1.720 6.956 3.767 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.501 9.548 3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.671 8.155 1.787 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.316 9.209 0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.361 12.152 2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.036 11.238 2.370 1.00 0.00 H new ATOM 497 N THR A 36 -2.580 9.090 0.728 1.00 0.00 N ATOM 498 CA THR A 36 -3.628 8.824 -0.242 1.00 0.00 C ATOM 499 C THR A 36 -3.333 9.545 -1.559 1.00 0.00 C ATOM 500 O THR A 36 -2.947 10.713 -1.558 1.00 0.00 O ATOM 501 CB THR A 36 -4.965 9.226 0.384 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.638 9.929 -0.657 1.00 0.00 O ATOM 503 CG2 THR A 36 -4.802 10.268 1.493 1.00 0.00 C ATOM 0 H THR A 36 -2.050 9.945 0.560 1.00 0.00 H new ATOM 0 HA THR A 36 -3.675 7.764 -0.492 1.00 0.00 H new ATOM 0 HB THR A 36 -5.458 8.341 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.250 9.320 -1.120 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.780 10.518 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.170 9.863 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.340 11.166 1.083 1.00 0.00 H new ATOM 511 N PRO A 37 -3.530 8.800 -2.679 1.00 0.00 N ATOM 512 CA PRO A 37 -3.989 7.424 -2.592 1.00 0.00 C ATOM 513 C PRO A 37 -2.860 6.498 -2.133 1.00 0.00 C ATOM 514 O PRO A 37 -1.759 6.538 -2.680 1.00 0.00 O ATOM 515 CB PRO A 37 -4.501 7.091 -3.983 1.00 0.00 C ATOM 516 CG PRO A 37 -3.888 8.126 -4.912 1.00 0.00 C ATOM 517 CD PRO A 37 -3.323 9.246 -4.054 1.00 0.00 C ATOM 0 HA PRO A 37 -4.776 7.289 -1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.209 6.082 -4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.590 7.131 -4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.102 7.676 -5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.639 8.514 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.266 9.410 -4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.835 10.189 -4.246 1.00 0.00 H new ATOM 525 N VAL A 38 -3.173 5.686 -1.134 1.00 0.00 N ATOM 526 CA VAL A 38 -2.199 4.752 -0.596 1.00 0.00 C ATOM 527 C VAL A 38 -1.554 3.976 -1.745 1.00 0.00 C ATOM 528 O VAL A 38 -2.204 3.693 -2.750 1.00 0.00 O ATOM 529 CB VAL A 38 -2.863 3.843 0.441 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.344 4.649 1.649 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.014 3.051 -0.182 1.00 0.00 C ATOM 0 H VAL A 38 -4.087 5.656 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.403 5.287 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.115 3.131 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.812 3.979 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.494 5.148 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.069 5.395 1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.469 2.413 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.762 3.742 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.632 2.433 -0.995 1.00 0.00 H new ATOM 541 N GLN A 39 -0.283 3.653 -1.559 1.00 0.00 N ATOM 542 CA GLN A 39 0.458 2.915 -2.568 1.00 0.00 C ATOM 543 C GLN A 39 0.572 1.442 -2.171 1.00 0.00 C ATOM 544 O GLN A 39 -0.071 1.000 -1.220 1.00 0.00 O ATOM 545 CB GLN A 39 1.840 3.531 -2.793 1.00 0.00 C ATOM 546 CG GLN A 39 1.862 4.377 -4.068 1.00 0.00 C ATOM 547 CD GLN A 39 2.929 5.470 -3.982 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.863 5.524 -4.765 1.00 0.00 O ATOM 549 NE2 GLN A 39 2.738 6.335 -2.990 1.00 0.00 N ATOM 0 H GLN A 39 0.253 3.889 -0.724 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.088 2.976 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.110 4.150 -1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.587 2.741 -2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.059 3.738 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.883 4.831 -4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.934 6.231 -2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.395 7.102 -2.849 1.00 0.00 H new ATOM 558 N VAL A 40 1.395 0.722 -2.919 1.00 0.00 N ATOM 559 CA VAL A 40 1.602 -0.692 -2.657 1.00 0.00 C ATOM 560 C VAL A 40 3.100 -0.965 -2.506 1.00 0.00 C ATOM 561 O VAL A 40 3.874 -0.724 -3.431 1.00 0.00 O ATOM 562 CB VAL A 40 0.950 -1.529 -3.760 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.358 -2.999 -3.646 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.573 -1.379 -3.735 1.00 0.00 C ATOM 0 H VAL A 40 1.927 1.092 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 40 1.123 -0.981 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 40 1.307 -1.155 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.881 -3.572 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.441 -3.084 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.043 -3.390 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.011 -1.984 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.956 -1.713 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.838 -0.333 -3.888 1.00 0.00 H new ATOM 574 N HIS A 41 3.462 -1.463 -1.334 1.00 0.00 N ATOM 575 CA HIS A 41 4.854 -1.771 -1.050 1.00 0.00 C ATOM 576 C HIS A 41 5.079 -3.280 -1.166 1.00 0.00 C ATOM 577 O HIS A 41 5.375 -3.946 -0.175 1.00 0.00 O ATOM 578 CB HIS A 41 5.266 -1.214 0.314 1.00 0.00 C ATOM 579 CG HIS A 41 6.644 -1.640 0.761 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.803 -1.070 0.264 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.036 -2.585 1.663 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.840 -1.653 0.847 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.363 -2.593 1.713 1.00 0.00 N ATOM 0 H HIS A 41 2.816 -1.661 -0.570 1.00 0.00 H new ATOM 0 HA HIS A 41 5.495 -1.285 -1.785 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.228 -0.125 0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.538 -1.533 1.060 1.00 0.00 H new ATOM 0 HD1 HIS A 41 7.851 -0.327 -0.433 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.379 -3.219 2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.880 -1.424 0.668 1.00 0.00 H new ATOM 591 N PHE A 42 4.931 -3.775 -2.386 1.00 0.00 N ATOM 592 CA PHE A 42 5.115 -5.193 -2.646 1.00 0.00 C ATOM 593 C PHE A 42 6.277 -5.755 -1.823 1.00 0.00 C ATOM 594 O PHE A 42 7.388 -5.231 -1.873 1.00 0.00 O ATOM 595 CB PHE A 42 5.444 -5.337 -4.133 1.00 0.00 C ATOM 596 CG PHE A 42 4.225 -5.615 -5.015 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.383 -6.638 -4.709 1.00 0.00 C ATOM 598 CD2 PHE A 42 3.984 -4.839 -6.106 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.251 -6.896 -5.527 1.00 0.00 C ATOM 600 CE2 PHE A 42 2.852 -5.097 -6.925 1.00 0.00 C ATOM 601 CZ PHE A 42 2.010 -6.120 -6.618 1.00 0.00 C ATOM 0 H PHE A 42 4.686 -3.219 -3.206 1.00 0.00 H new ATOM 0 HA PHE A 42 4.213 -5.741 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.929 -4.423 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.163 -6.146 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.575 -7.255 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.653 -4.027 -6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.582 -7.708 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.660 -4.481 -7.791 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.150 -6.316 -7.241 1.00 0.00 H new ATOM 611 N LEU A 43 5.979 -6.814 -1.085 1.00 0.00 N ATOM 612 CA LEU A 43 6.984 -7.453 -0.252 1.00 0.00 C ATOM 613 C LEU A 43 7.346 -8.814 -0.850 1.00 0.00 C ATOM 614 O LEU A 43 8.468 -9.290 -0.685 1.00 0.00 O ATOM 615 CB LEU A 43 6.509 -7.526 1.200 1.00 0.00 C ATOM 616 CG LEU A 43 6.647 -6.240 2.017 1.00 0.00 C ATOM 617 CD1 LEU A 43 6.125 -6.436 3.441 1.00 0.00 C ATOM 618 CD2 LEU A 43 8.091 -5.732 2.001 1.00 0.00 C ATOM 0 H LEU A 43 5.056 -7.246 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 43 7.898 -6.859 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.461 -7.824 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.067 -8.315 1.705 1.00 0.00 H new ATOM 0 HG LEU A 43 6.030 -5.472 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.235 -5.507 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.072 -6.717 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.695 -7.224 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.161 -4.817 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.748 -6.489 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.393 -5.527 0.974 1.00 0.00 H new ATOM 630 N ASP A 44 6.374 -9.402 -1.533 1.00 0.00 N ATOM 631 CA ASP A 44 6.576 -10.698 -2.156 1.00 0.00 C ATOM 632 C ASP A 44 6.115 -10.636 -3.614 1.00 0.00 C ATOM 633 O ASP A 44 4.946 -10.372 -3.888 1.00 0.00 O ATOM 634 CB ASP A 44 5.761 -11.783 -1.449 1.00 0.00 C ATOM 635 CG ASP A 44 6.119 -12.005 0.022 1.00 0.00 C ATOM 636 OD1 ASP A 44 6.778 -11.106 0.588 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.726 -13.068 0.548 1.00 0.00 O ATOM 0 H ASP A 44 5.445 -9.004 -1.668 1.00 0.00 H new ATOM 0 HA ASP A 44 7.636 -10.942 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.704 -11.524 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.893 -12.723 -1.985 1.00 0.00 H new ATOM 642 N PRO A 45 7.084 -10.890 -4.534 1.00 0.00 N ATOM 643 CA PRO A 45 6.789 -10.865 -5.957 1.00 0.00 C ATOM 644 C PRO A 45 6.013 -12.115 -6.378 1.00 0.00 C ATOM 645 O PRO A 45 5.695 -12.286 -7.554 1.00 0.00 O ATOM 646 CB PRO A 45 8.143 -10.750 -6.637 1.00 0.00 C ATOM 647 CG PRO A 45 9.168 -11.182 -5.601 1.00 0.00 C ATOM 648 CD PRO A 45 8.480 -11.206 -4.246 1.00 0.00 C ATOM 0 HA PRO A 45 6.144 -10.032 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.191 -11.385 -7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.329 -9.728 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.565 -12.167 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.012 -10.492 -5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.575 -12.182 -3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.919 -10.476 -3.566 1.00 0.00 H new ATOM 656 N HIS A 46 5.730 -12.956 -5.394 1.00 0.00 N ATOM 657 CA HIS A 46 4.997 -14.185 -5.648 1.00 0.00 C ATOM 658 C HIS A 46 3.908 -14.361 -4.587 1.00 0.00 C ATOM 659 O HIS A 46 3.816 -15.413 -3.957 1.00 0.00 O ATOM 660 CB HIS A 46 5.949 -15.380 -5.724 1.00 0.00 C ATOM 661 CG HIS A 46 6.968 -15.284 -6.835 1.00 0.00 C ATOM 662 ND1 HIS A 46 6.873 -14.750 -8.087 1.00 0.00 N flip ATOM 663 CD2 HIS A 46 8.256 -15.775 -6.716 1.00 0.00 C flip ATOM 664 CE1 HIS A 46 8.041 -14.905 -8.698 1.00 0.00 C flip ATOM 665 NE2 HIS A 46 8.900 -15.541 -7.850 1.00 0.00 N flip ATOM 0 H HIS A 46 5.995 -12.811 -4.420 1.00 0.00 H new ATOM 0 HA HIS A 46 4.505 -14.125 -6.619 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.472 -15.476 -4.772 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.364 -16.290 -5.859 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.045 -14.307 -8.486 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.667 -16.266 -5.846 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.273 -14.581 -9.702 1.00 0.00 H new ATOM 673 N CYS A 47 3.112 -13.315 -4.424 1.00 0.00 N ATOM 674 CA CYS A 47 2.033 -13.341 -3.451 1.00 0.00 C ATOM 675 C CYS A 47 0.713 -13.528 -4.202 1.00 0.00 C ATOM 676 O CYS A 47 -0.092 -14.387 -3.845 1.00 0.00 O ATOM 677 CB CYS A 47 2.023 -12.081 -2.584 1.00 0.00 C ATOM 678 SG CYS A 47 2.133 -10.592 -3.642 1.00 0.00 S ATOM 0 H CYS A 47 3.192 -12.444 -4.949 1.00 0.00 H new ATOM 0 HA CYS A 47 2.180 -14.174 -2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.111 -12.047 -1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.860 -12.104 -1.886 1.00 0.00 H new ATOM 0 HG CYS A 47 3.320 -10.520 -4.168 1.00 0.00 H new ATOM 684 N SER A 48 0.532 -12.709 -5.228 1.00 0.00 N ATOM 685 CA SER A 48 -0.677 -12.773 -6.032 1.00 0.00 C ATOM 686 C SER A 48 -0.889 -11.447 -6.763 1.00 0.00 C ATOM 687 O SER A 48 -0.833 -11.394 -7.991 1.00 0.00 O ATOM 688 CB SER A 48 -1.896 -13.105 -5.169 1.00 0.00 C ATOM 689 OG SER A 48 -2.239 -14.486 -5.238 1.00 0.00 O ATOM 0 H SER A 48 1.202 -11.998 -5.521 1.00 0.00 H new ATOM 0 HA SER A 48 -0.558 -13.570 -6.766 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.692 -12.834 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.745 -12.504 -5.494 1.00 0.00 H new ATOM 0 HG SER A 48 -1.584 -15.011 -4.733 1.00 0.00 H new ATOM 695 N ALA A 49 -1.130 -10.407 -5.978 1.00 0.00 N ATOM 696 CA ALA A 49 -1.352 -9.083 -6.536 1.00 0.00 C ATOM 697 C ALA A 49 -0.318 -8.817 -7.632 1.00 0.00 C ATOM 698 O ALA A 49 -0.671 -8.410 -8.738 1.00 0.00 O ATOM 699 CB ALA A 49 -1.296 -8.042 -5.417 1.00 0.00 C ATOM 0 H ALA A 49 -1.176 -10.454 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.340 -9.019 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.462 -7.049 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.068 -8.259 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.317 -8.075 -4.938 1.00 0.00 H new ATOM 705 N SER A 50 0.938 -9.058 -7.287 1.00 0.00 N ATOM 706 CA SER A 50 2.026 -8.849 -8.228 1.00 0.00 C ATOM 707 C SER A 50 1.815 -9.715 -9.472 1.00 0.00 C ATOM 708 O SER A 50 1.935 -9.232 -10.597 1.00 0.00 O ATOM 709 CB SER A 50 3.378 -9.163 -7.586 1.00 0.00 C ATOM 710 OG SER A 50 4.460 -8.573 -8.303 1.00 0.00 O ATOM 0 H SER A 50 1.227 -9.396 -6.369 1.00 0.00 H new ATOM 0 HA SER A 50 2.029 -7.799 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.384 -8.801 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.517 -10.243 -7.544 1.00 0.00 H new ATOM 0 HG SER A 50 5.306 -8.795 -7.860 1.00 0.00 H new ATOM 716 N LEU A 51 1.505 -10.980 -9.227 1.00 0.00 N ATOM 717 CA LEU A 51 1.277 -11.918 -10.313 1.00 0.00 C ATOM 718 C LEU A 51 0.029 -11.497 -11.091 1.00 0.00 C ATOM 719 O LEU A 51 -0.113 -11.823 -12.269 1.00 0.00 O ATOM 720 CB LEU A 51 1.215 -13.350 -9.780 1.00 0.00 C ATOM 721 CG LEU A 51 2.432 -13.822 -8.982 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.005 -14.485 -7.671 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.319 -14.740 -9.826 1.00 0.00 C ATOM 0 H LEU A 51 1.406 -11.377 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 51 2.112 -11.899 -11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.332 -13.443 -9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.075 -14.025 -10.624 1.00 0.00 H new ATOM 0 HG LEU A 51 3.029 -12.948 -8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.889 -14.811 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.447 -13.770 -7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.374 -15.347 -7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.177 -15.061 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.746 -15.613 -10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.667 -14.200 -10.707 1.00 0.00 H new ATOM 735 N ALA A 52 -0.845 -10.778 -10.402 1.00 0.00 N ATOM 736 CA ALA A 52 -2.077 -10.309 -11.013 1.00 0.00 C ATOM 737 C ALA A 52 -1.740 -9.365 -12.169 1.00 0.00 C ATOM 738 O ALA A 52 -2.042 -9.660 -13.324 1.00 0.00 O ATOM 739 CB ALA A 52 -2.952 -9.640 -9.951 1.00 0.00 C ATOM 0 H ALA A 52 -0.724 -10.509 -9.426 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.644 -11.145 -11.423 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.876 -9.288 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.187 -10.360 -9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.417 -8.795 -9.519 1.00 0.00 H new ATOM 745 N GLY A 53 -1.118 -8.249 -11.818 1.00 0.00 N ATOM 746 CA GLY A 53 -0.737 -7.260 -12.812 1.00 0.00 C ATOM 747 C GLY A 53 -0.464 -5.903 -12.159 1.00 0.00 C ATOM 748 O GLY A 53 -0.871 -4.866 -12.682 1.00 0.00 O ATOM 0 H GLY A 53 -0.868 -8.008 -10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.153 -7.597 -13.343 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.531 -7.158 -13.552 1.00 0.00 H new ATOM 752 N ALA A 54 0.222 -5.955 -11.027 1.00 0.00 N ATOM 753 CA ALA A 54 0.554 -4.742 -10.298 1.00 0.00 C ATOM 754 C ALA A 54 2.075 -4.595 -10.228 1.00 0.00 C ATOM 755 O ALA A 54 2.806 -5.562 -10.434 1.00 0.00 O ATOM 756 CB ALA A 54 -0.092 -4.788 -8.912 1.00 0.00 C ATOM 0 H ALA A 54 0.557 -6.817 -10.597 1.00 0.00 H new ATOM 0 HA ALA A 54 0.162 -3.865 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.156 -3.879 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.174 -4.864 -9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.281 -5.654 -8.365 1.00 0.00 H new ATOM 762 N LYS A 55 2.506 -3.376 -9.937 1.00 0.00 N ATOM 763 CA LYS A 55 3.927 -3.089 -9.838 1.00 0.00 C ATOM 764 C LYS A 55 4.162 -2.081 -8.711 1.00 0.00 C ATOM 765 O LYS A 55 3.275 -1.296 -8.381 1.00 0.00 O ATOM 766 CB LYS A 55 4.479 -2.638 -11.192 1.00 0.00 C ATOM 767 CG LYS A 55 4.772 -3.840 -12.092 1.00 0.00 C ATOM 768 CD LYS A 55 5.975 -3.567 -12.997 1.00 0.00 C ATOM 769 CE LYS A 55 5.599 -3.722 -14.472 1.00 0.00 C ATOM 770 NZ LYS A 55 6.812 -3.715 -15.320 1.00 0.00 N ATOM 0 H LYS A 55 1.896 -2.576 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 55 4.481 -3.992 -9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.761 -1.980 -11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.391 -2.060 -11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.966 -4.720 -11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.897 -4.064 -12.702 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.348 -2.559 -12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.784 -4.255 -12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.052 -4.653 -14.618 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.934 -2.911 -14.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.539 -3.821 -16.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.319 -2.816 -15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.432 -4.503 -15.045 1.00 0.00 H new ATOM 784 N GLU A 56 5.362 -2.135 -8.152 1.00 0.00 N ATOM 785 CA GLU A 56 5.725 -1.236 -7.070 1.00 0.00 C ATOM 786 C GLU A 56 5.371 0.207 -7.437 1.00 0.00 C ATOM 787 O GLU A 56 5.934 0.768 -8.375 1.00 0.00 O ATOM 788 CB GLU A 56 7.209 -1.365 -6.724 1.00 0.00 C ATOM 789 CG GLU A 56 7.462 -1.023 -5.254 1.00 0.00 C ATOM 790 CD GLU A 56 8.951 -1.122 -4.916 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.441 -2.270 -4.845 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.564 -0.048 -4.736 1.00 0.00 O ATOM 0 H GLU A 56 6.096 -2.788 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 56 5.154 -1.516 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.546 -2.381 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.794 -0.701 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.104 -0.015 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.895 -1.701 -4.616 1.00 0.00 H new ATOM 799 N GLY A 57 4.439 0.765 -6.678 1.00 0.00 N ATOM 800 CA GLY A 57 4.003 2.131 -6.912 1.00 0.00 C ATOM 801 C GLY A 57 2.532 2.173 -7.331 1.00 0.00 C ATOM 802 O GLY A 57 2.099 3.114 -7.995 1.00 0.00 O ATOM 0 H GLY A 57 3.974 0.296 -5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.144 2.722 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.619 2.585 -7.688 1.00 0.00 H new ATOM 806 N ASP A 58 1.805 1.143 -6.925 1.00 0.00 N ATOM 807 CA ASP A 58 0.392 1.051 -7.251 1.00 0.00 C ATOM 808 C ASP A 58 -0.417 1.840 -6.220 1.00 0.00 C ATOM 809 O ASP A 58 -0.435 1.492 -5.040 1.00 0.00 O ATOM 810 CB ASP A 58 -0.088 -0.402 -7.216 1.00 0.00 C ATOM 811 CG ASP A 58 0.695 -1.363 -8.113 1.00 0.00 C ATOM 812 OD1 ASP A 58 0.875 -1.012 -9.299 1.00 0.00 O ATOM 813 OD2 ASP A 58 1.095 -2.426 -7.592 1.00 0.00 O ATOM 0 H ASP A 58 2.167 0.365 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 58 0.250 1.454 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.034 -0.762 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.138 -0.429 -7.509 1.00 0.00 H new ATOM 818 N TYR A 59 -1.067 2.889 -6.702 1.00 0.00 N ATOM 819 CA TYR A 59 -1.876 3.731 -5.837 1.00 0.00 C ATOM 820 C TYR A 59 -3.338 3.281 -5.845 1.00 0.00 C ATOM 821 O TYR A 59 -4.080 3.586 -6.778 1.00 0.00 O ATOM 822 CB TYR A 59 -1.787 5.143 -6.420 1.00 0.00 C ATOM 823 CG TYR A 59 -0.381 5.747 -6.376 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.601 5.270 -7.219 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.096 6.768 -5.492 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.924 5.838 -7.178 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.226 7.336 -5.450 1.00 0.00 C ATOM 828 CZ TYR A 59 2.171 6.843 -6.295 1.00 0.00 C ATOM 829 OH TYR A 59 3.420 7.380 -6.256 1.00 0.00 O ATOM 0 H TYR A 59 -1.050 3.175 -7.681 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.519 3.679 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.129 5.120 -7.455 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.469 5.795 -5.873 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.378 4.470 -7.910 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.865 7.141 -4.832 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.702 5.474 -7.833 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.462 8.135 -4.763 1.00 0.00 H new ATOM 0 HH TYR A 59 4.015 6.788 -5.749 1.00 0.00 H new ATOM 839 N ILE A 60 -3.709 2.563 -4.795 1.00 0.00 N ATOM 840 CA ILE A 60 -5.069 2.067 -4.669 1.00 0.00 C ATOM 841 C ILE A 60 -6.050 3.210 -4.938 1.00 0.00 C ATOM 842 O ILE A 60 -6.083 4.192 -4.197 1.00 0.00 O ATOM 843 CB ILE A 60 -5.269 1.391 -3.312 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.568 0.032 -3.267 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.756 1.281 -2.968 1.00 0.00 C ATOM 846 CD1 ILE A 60 -4.205 -0.351 -1.831 1.00 0.00 C ATOM 0 H ILE A 60 -3.091 2.313 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.265 1.296 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.807 2.016 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.217 -0.730 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.666 0.064 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.870 0.797 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.195 2.278 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.263 0.690 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.708 -1.321 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.536 0.401 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.112 -0.406 -1.229 1.00 0.00 H new ATOM 858 N VAL A 61 -6.825 3.045 -6.000 1.00 0.00 N ATOM 859 CA VAL A 61 -7.804 4.050 -6.375 1.00 0.00 C ATOM 860 C VAL A 61 -9.212 3.505 -6.123 1.00 0.00 C ATOM 861 O VAL A 61 -10.092 4.234 -5.670 1.00 0.00 O ATOM 862 CB VAL A 61 -7.582 4.481 -7.826 1.00 0.00 C ATOM 863 CG1 VAL A 61 -8.287 3.530 -8.795 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.038 5.925 -8.046 1.00 0.00 C ATOM 0 H VAL A 61 -6.794 2.230 -6.612 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.687 4.944 -5.762 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.512 4.433 -8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.113 3.859 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.893 2.522 -8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.358 3.530 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.869 6.206 -9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.100 6.010 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.470 6.589 -7.394 1.00 0.00 H new ATOM 874 N SER A 62 -9.379 2.226 -6.428 1.00 0.00 N ATOM 875 CA SER A 62 -10.665 1.575 -6.240 1.00 0.00 C ATOM 876 C SER A 62 -10.456 0.116 -5.829 1.00 0.00 C ATOM 877 O SER A 62 -9.337 -0.393 -5.879 1.00 0.00 O ATOM 878 CB SER A 62 -11.513 1.652 -7.512 1.00 0.00 C ATOM 879 OG SER A 62 -11.524 0.417 -8.222 1.00 0.00 O ATOM 0 H SER A 62 -8.646 1.624 -6.803 1.00 0.00 H new ATOM 0 HA SER A 62 -11.201 2.097 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.534 1.929 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.125 2.439 -8.159 1.00 0.00 H new ATOM 0 HG SER A 62 -12.425 0.246 -8.568 1.00 0.00 H new ATOM 885 N ILE A 63 -11.551 -0.516 -5.433 1.00 0.00 N ATOM 886 CA ILE A 63 -11.503 -1.907 -5.014 1.00 0.00 C ATOM 887 C ILE A 63 -12.889 -2.532 -5.176 1.00 0.00 C ATOM 888 O ILE A 63 -13.771 -2.321 -4.344 1.00 0.00 O ATOM 889 CB ILE A 63 -10.939 -2.019 -3.596 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.492 -1.526 -3.540 1.00 0.00 C ATOM 891 CG2 ILE A 63 -11.079 -3.446 -3.062 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.839 -1.890 -2.206 1.00 0.00 C ATOM 0 H ILE A 63 -12.477 -0.091 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.822 -2.474 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.525 -1.371 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.923 -1.965 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.467 -0.445 -3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.671 -3.499 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.132 -3.725 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.534 -4.132 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.811 -1.528 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.396 -1.429 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.844 -2.973 -2.082 1.00 0.00 H new ATOM 904 N GLN A 64 -13.039 -3.291 -6.252 1.00 0.00 N ATOM 905 CA GLN A 64 -14.304 -3.949 -6.533 1.00 0.00 C ATOM 906 C GLN A 64 -15.350 -2.922 -6.972 1.00 0.00 C ATOM 907 O GLN A 64 -16.547 -3.205 -6.956 1.00 0.00 O ATOM 908 CB GLN A 64 -14.791 -4.743 -5.320 1.00 0.00 C ATOM 909 CG GLN A 64 -14.793 -6.245 -5.613 1.00 0.00 C ATOM 910 CD GLN A 64 -16.012 -6.638 -6.451 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.829 -5.814 -6.829 1.00 0.00 O ATOM 912 NE2 GLN A 64 -16.087 -7.938 -6.720 1.00 0.00 N ATOM 0 H GLN A 64 -12.306 -3.465 -6.939 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.150 -4.655 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.149 -4.537 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.796 -4.420 -5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.880 -6.517 -6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.796 -6.802 -4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.368 -8.573 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.863 -8.300 -7.274 1.00 0.00 H new ATOM 921 N GLY A 65 -14.861 -1.752 -7.355 1.00 0.00 N ATOM 922 CA GLY A 65 -15.738 -0.682 -7.797 1.00 0.00 C ATOM 923 C GLY A 65 -16.030 0.296 -6.657 1.00 0.00 C ATOM 924 O GLY A 65 -16.905 1.151 -6.776 1.00 0.00 O ATOM 0 H GLY A 65 -13.867 -1.522 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.277 -0.149 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.673 -1.103 -8.168 1.00 0.00 H new ATOM 928 N VAL A 66 -15.279 0.136 -5.577 1.00 0.00 N ATOM 929 CA VAL A 66 -15.446 0.993 -4.415 1.00 0.00 C ATOM 930 C VAL A 66 -14.520 2.204 -4.544 1.00 0.00 C ATOM 931 O VAL A 66 -13.588 2.195 -5.347 1.00 0.00 O ATOM 932 CB VAL A 66 -15.207 0.192 -3.134 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.342 1.082 -1.897 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.154 -1.007 -3.053 1.00 0.00 C ATOM 0 H VAL A 66 -14.553 -0.574 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.468 1.368 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.186 -0.188 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.167 0.488 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.609 1.888 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.346 1.506 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.963 -1.560 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.186 -0.656 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.988 -1.660 -3.910 1.00 0.00 H new ATOM 944 N ASP A 67 -14.808 3.218 -3.741 1.00 0.00 N ATOM 945 CA ASP A 67 -14.013 4.434 -3.755 1.00 0.00 C ATOM 946 C ASP A 67 -12.853 4.291 -2.767 1.00 0.00 C ATOM 947 O ASP A 67 -13.069 4.209 -1.559 1.00 0.00 O ATOM 948 CB ASP A 67 -14.849 5.643 -3.331 1.00 0.00 C ATOM 949 CG ASP A 67 -14.458 6.964 -3.997 1.00 0.00 C ATOM 950 OD1 ASP A 67 -13.868 6.893 -5.096 1.00 0.00 O ATOM 951 OD2 ASP A 67 -14.758 8.015 -3.391 1.00 0.00 O ATOM 0 H ASP A 67 -15.581 3.222 -3.076 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.647 4.587 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.896 5.438 -3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.769 5.760 -2.250 1.00 0.00 H new ATOM 956 N CYS A 68 -11.649 4.265 -3.318 1.00 0.00 N ATOM 957 CA CYS A 68 -10.455 4.134 -2.500 1.00 0.00 C ATOM 958 C CYS A 68 -9.420 5.148 -2.994 1.00 0.00 C ATOM 959 O CYS A 68 -8.264 4.797 -3.227 1.00 0.00 O ATOM 960 CB CYS A 68 -9.909 2.705 -2.522 1.00 0.00 C ATOM 961 SG CYS A 68 -11.069 1.579 -1.664 1.00 0.00 S ATOM 0 H CYS A 68 -11.474 4.332 -4.321 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.700 4.344 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.766 2.377 -3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.933 2.672 -2.038 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.175 2.211 -1.405 1.00 0.00 H new ATOM 967 N LYS A 69 -9.873 6.384 -3.139 1.00 0.00 N ATOM 968 CA LYS A 69 -9.001 7.451 -3.601 1.00 0.00 C ATOM 969 C LYS A 69 -8.592 8.321 -2.411 1.00 0.00 C ATOM 970 O LYS A 69 -7.528 8.937 -2.424 1.00 0.00 O ATOM 971 CB LYS A 69 -9.667 8.234 -4.735 1.00 0.00 C ATOM 972 CG LYS A 69 -8.664 8.545 -5.848 1.00 0.00 C ATOM 973 CD LYS A 69 -8.536 10.055 -6.064 1.00 0.00 C ATOM 974 CE LYS A 69 -9.541 10.546 -7.107 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.076 11.812 -7.719 1.00 0.00 N ATOM 0 H LYS A 69 -10.832 6.671 -2.945 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.085 7.038 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.499 7.658 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.083 9.163 -4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.690 8.127 -5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.983 8.067 -6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.701 10.576 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.523 10.295 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.672 9.788 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.514 10.697 -6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.770 12.132 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.974 12.537 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.158 11.657 -8.182 1.00 0.00 H new ATOM 989 N TRP A 70 -9.460 8.344 -1.409 1.00 0.00 N ATOM 990 CA TRP A 70 -9.202 9.128 -0.214 1.00 0.00 C ATOM 991 C TRP A 70 -8.908 8.159 0.933 1.00 0.00 C ATOM 992 O TRP A 70 -8.081 8.447 1.797 1.00 0.00 O ATOM 993 CB TRP A 70 -10.369 10.071 0.085 1.00 0.00 C ATOM 994 CG TRP A 70 -10.880 10.837 -1.137 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.778 10.435 -2.046 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.483 12.162 -1.549 1.00 0.00 C ATOM 997 NE1 TRP A 70 -11.988 11.400 -3.010 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.175 12.483 -2.698 1.00 0.00 C ATOM 999 CE3 TRP A 70 -9.568 13.059 -0.969 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.027 13.705 -3.366 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -9.431 14.275 -1.649 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.121 14.614 -2.807 1.00 0.00 C ATOM 0 H TRP A 70 -10.342 7.832 -1.401 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.335 9.773 -0.356 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.191 9.493 0.508 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.058 10.787 0.846 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.275 9.476 -2.027 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.623 11.331 -3.805 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.015 12.828 -0.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -11.582 13.934 -4.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -8.741 15.001 -1.245 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -9.959 15.574 -3.273 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.600 7.030 0.904 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.423 6.016 1.930 1.00 0.00 C ATOM 1015 C LEU A 71 -7.936 5.890 2.265 1.00 0.00 C ATOM 1016 O LEU A 71 -7.083 6.076 1.398 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.070 4.699 1.499 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.570 4.753 1.202 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.193 3.358 1.267 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.278 5.741 2.132 1.00 0.00 C ATOM 0 H LEU A 71 -10.285 6.795 0.186 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.933 6.309 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.556 4.340 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.902 3.961 2.283 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.703 5.117 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.259 3.425 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.715 2.711 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.050 2.942 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.343 5.760 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.138 5.430 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.858 6.737 1.992 1.00 0.00 H new ATOM 1032 N THR A 72 -7.670 5.576 3.524 1.00 0.00 N ATOM 1033 CA THR A 72 -6.300 5.423 3.984 1.00 0.00 C ATOM 1034 C THR A 72 -5.891 3.949 3.961 1.00 0.00 C ATOM 1035 O THR A 72 -6.449 3.158 3.201 1.00 0.00 O ATOM 1036 CB THR A 72 -6.193 6.061 5.371 1.00 0.00 C ATOM 1037 OG1 THR A 72 -6.762 5.090 6.245 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.104 7.280 5.526 1.00 0.00 C ATOM 0 H THR A 72 -8.380 5.423 4.240 1.00 0.00 H new ATOM 0 HA THR A 72 -5.601 5.932 3.321 1.00 0.00 H new ATOM 0 HB THR A 72 -5.160 6.354 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.732 5.422 7.167 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.990 7.695 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.831 8.034 4.788 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.141 6.981 5.373 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.921 3.623 4.802 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.431 2.258 4.887 1.00 0.00 C ATOM 1048 C VAL A 73 -5.457 1.398 5.627 1.00 0.00 C ATOM 1049 O VAL A 73 -5.859 0.344 5.135 1.00 0.00 O ATOM 1050 CB VAL A 73 -3.049 2.238 5.545 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.650 0.815 5.939 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.997 2.869 4.630 1.00 0.00 C ATOM 0 H VAL A 73 -4.461 4.281 5.431 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.308 1.833 3.891 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.103 2.835 6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.664 0.829 6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.378 0.415 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.622 0.185 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.024 2.842 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.947 2.311 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.270 3.904 4.421 1.00 0.00 H new ATOM 1062 N SER A 74 -5.852 1.878 6.796 1.00 0.00 N ATOM 1063 CA SER A 74 -6.824 1.166 7.608 1.00 0.00 C ATOM 1064 C SER A 74 -8.039 0.788 6.759 1.00 0.00 C ATOM 1065 O SER A 74 -8.349 -0.392 6.603 1.00 0.00 O ATOM 1066 CB SER A 74 -7.258 2.006 8.811 1.00 0.00 C ATOM 1067 OG SER A 74 -8.054 1.258 9.726 1.00 0.00 O ATOM 0 H SER A 74 -5.517 2.752 7.201 1.00 0.00 H new ATOM 0 HA SER A 74 -6.355 0.257 7.984 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.375 2.386 9.325 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.822 2.872 8.464 1.00 0.00 H new ATOM 0 HG SER A 74 -8.309 1.829 10.480 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.694 1.812 6.232 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.868 1.602 5.402 1.00 0.00 C ATOM 1075 C GLU A 75 -9.595 0.516 4.360 1.00 0.00 C ATOM 1076 O GLU A 75 -10.126 -0.590 4.457 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.307 2.906 4.733 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.260 3.693 5.635 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.541 4.870 6.297 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.329 5.877 5.587 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -10.220 4.737 7.498 1.00 0.00 O ATOM 0 H GLU A 75 -8.434 2.789 6.364 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.685 1.267 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.432 3.514 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.798 2.685 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.102 4.060 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.669 3.034 6.401 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.767 0.868 3.388 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.416 -0.063 2.329 1.00 0.00 C ATOM 1090 C VAL A 76 -8.173 -1.447 2.933 1.00 0.00 C ATOM 1091 O VAL A 76 -8.844 -2.413 2.573 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.214 0.466 1.544 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.705 -0.580 0.551 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.559 1.776 0.831 1.00 0.00 C ATOM 0 H VAL A 76 -8.329 1.786 3.311 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.236 -0.158 1.617 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.413 0.671 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.851 -0.179 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.402 -1.477 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.499 -0.830 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.688 2.131 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.383 1.607 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.853 2.524 1.567 1.00 0.00 H new ATOM 1104 N MET A 77 -7.210 -1.500 3.842 1.00 0.00 N ATOM 1105 CA MET A 77 -6.869 -2.750 4.500 1.00 0.00 C ATOM 1106 C MET A 77 -8.121 -3.587 4.768 1.00 0.00 C ATOM 1107 O MET A 77 -8.206 -4.739 4.344 1.00 0.00 O ATOM 1108 CB MET A 77 -6.159 -2.455 5.822 1.00 0.00 C ATOM 1109 CG MET A 77 -4.639 -2.474 5.644 1.00 0.00 C ATOM 1110 SD MET A 77 -4.105 -4.099 5.134 1.00 0.00 S ATOM 1111 CE MET A 77 -2.749 -3.657 4.060 1.00 0.00 C ATOM 0 H MET A 77 -6.655 -0.697 4.138 1.00 0.00 H new ATOM 0 HA MET A 77 -6.209 -3.317 3.843 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.473 -1.481 6.198 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.451 -3.194 6.568 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.342 -1.735 4.900 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.151 -2.199 6.579 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.938 -4.375 4.184 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.087 -3.667 3.024 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.393 -2.659 4.316 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.063 -2.976 5.472 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.307 -3.650 5.803 1.00 0.00 C ATOM 1123 C LYS A 78 -11.080 -3.945 4.516 1.00 0.00 C ATOM 1124 O LYS A 78 -11.629 -5.034 4.353 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.102 -2.836 6.825 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.691 -3.198 8.254 1.00 0.00 C ATOM 1127 CD LYS A 78 -10.343 -1.944 9.058 1.00 0.00 C ATOM 1128 CE LYS A 78 -9.460 -2.290 10.259 1.00 0.00 C ATOM 1129 NZ LYS A 78 -10.112 -1.871 11.520 1.00 0.00 N ATOM 0 H LYS A 78 -8.989 -2.021 5.822 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.105 -4.609 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.938 -1.772 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.168 -3.020 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.503 -3.735 8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.833 -3.869 8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.828 -1.228 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.258 -1.462 9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.269 -3.363 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.493 -1.796 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.499 -2.113 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.272 -0.843 11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.024 -2.362 11.619 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.098 -2.956 3.634 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.794 -3.096 2.367 1.00 0.00 C ATOM 1145 C LEU A 79 -11.202 -4.275 1.592 1.00 0.00 C ATOM 1146 O LEU A 79 -11.870 -4.861 0.741 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.769 -1.776 1.593 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.122 -1.261 1.101 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.429 0.120 1.685 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.188 -1.264 -0.428 1.00 0.00 C ATOM 0 H LEU A 79 -10.641 -2.054 3.772 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.847 -3.321 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.322 -1.013 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.113 -1.896 0.731 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.896 -1.941 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.397 0.463 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.454 0.058 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.655 0.824 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.161 -0.893 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.404 -0.621 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.047 -2.280 -0.796 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.955 -4.587 1.914 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.266 -5.685 1.258 1.00 0.00 C ATOM 1164 C LEU A 80 -9.505 -6.975 2.046 1.00 0.00 C ATOM 1165 O LEU A 80 -9.918 -7.985 1.479 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.786 -5.349 1.064 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.391 -4.836 -0.323 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.983 -4.238 -0.306 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.534 -5.937 -1.376 1.00 0.00 C ATOM 0 H LEU A 80 -9.404 -4.099 2.620 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.668 -5.843 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.505 -4.597 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.200 -6.242 1.280 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.077 -4.035 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.727 -3.881 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.950 -3.405 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.267 -5.001 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.247 -5.546 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.887 -6.775 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.570 -6.275 -1.411 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.236 -6.898 3.341 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.417 -8.046 4.212 1.00 0.00 C ATOM 1183 C LYS A 81 -10.855 -8.554 4.088 1.00 0.00 C ATOM 1184 O LYS A 81 -11.081 -9.751 3.916 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.009 -7.701 5.646 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.487 -7.707 5.800 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.050 -6.814 6.963 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.525 -6.772 7.078 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.114 -5.914 8.212 1.00 0.00 N ATOM 0 H LYS A 81 -8.894 -6.058 3.808 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.762 -8.862 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.401 -6.720 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.451 -8.420 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.139 -8.726 5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.023 -7.360 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.435 -5.805 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.478 -7.187 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.137 -7.781 7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.095 -6.391 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.076 -5.897 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.468 -4.948 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.509 -6.294 9.096 1.00 0.00 H new ATOM 1203 N SER A 82 -11.789 -7.619 4.178 1.00 0.00 N ATOM 1204 CA SER A 82 -13.198 -7.957 4.078 1.00 0.00 C ATOM 1205 C SER A 82 -13.424 -8.920 2.910 1.00 0.00 C ATOM 1206 O SER A 82 -14.253 -9.824 2.997 1.00 0.00 O ATOM 1207 CB SER A 82 -14.055 -6.702 3.903 1.00 0.00 C ATOM 1208 OG SER A 82 -15.438 -6.964 4.122 1.00 0.00 O ATOM 0 H SER A 82 -11.597 -6.627 4.319 1.00 0.00 H new ATOM 0 HA SER A 82 -13.499 -8.443 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.717 -5.933 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.916 -6.306 2.897 1.00 0.00 H new ATOM 0 HG SER A 82 -15.951 -6.137 4.002 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.670 -8.693 1.844 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.777 -9.530 0.661 1.00 0.00 C ATOM 1216 C PHE A 83 -11.698 -10.614 0.656 1.00 0.00 C ATOM 1217 O PHE A 83 -11.117 -10.913 -0.386 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.572 -8.618 -0.551 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.599 -7.490 -0.662 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.913 -7.740 -0.417 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.198 -6.236 -1.005 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.867 -6.693 -0.519 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.151 -5.189 -1.107 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.466 -5.439 -0.863 1.00 0.00 C ATOM 0 H PHE A 83 -11.983 -7.942 1.775 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.749 -10.023 0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.574 -8.183 -0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.611 -9.222 -1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.231 -8.735 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.154 -6.037 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.910 -6.892 -0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.832 -4.193 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.191 -4.643 -0.942 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.461 -11.174 1.834 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.462 -12.218 1.979 1.00 0.00 C ATOM 1236 C GLY A 84 -10.801 -13.427 1.103 1.00 0.00 C ATOM 1237 O GLY A 84 -11.889 -13.990 1.212 1.00 0.00 O ATOM 0 H GLY A 84 -11.944 -10.924 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.482 -11.829 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.402 -12.526 3.023 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.849 -13.789 0.256 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.034 -14.920 -0.638 1.00 0.00 C ATOM 1243 C GLY A 85 -11.416 -14.882 -1.292 1.00 0.00 C ATOM 1244 O GLY A 85 -12.086 -15.908 -1.394 1.00 0.00 O ATOM 0 H GLY A 85 -8.948 -13.320 0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.263 -14.909 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.916 -15.850 -0.082 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.802 -13.688 -1.718 1.00 0.00 N ATOM 1249 CA GLU A 86 -13.092 -13.504 -2.359 1.00 0.00 C ATOM 1250 C GLU A 86 -12.905 -13.032 -3.803 1.00 0.00 C ATOM 1251 O GLU A 86 -13.877 -12.882 -4.541 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.961 -12.522 -1.570 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.289 -13.074 -0.181 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.786 -13.356 -0.042 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.566 -12.405 -0.266 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.117 -14.516 0.284 1.00 0.00 O ATOM 0 H GLU A 86 -11.244 -12.839 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.608 -14.464 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.442 -11.568 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.884 -12.328 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.725 -13.991 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.978 -12.359 0.581 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.649 -12.812 -4.161 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.322 -12.360 -5.503 1.00 0.00 C ATOM 1265 C GLU A 87 -11.986 -11.012 -5.786 1.00 0.00 C ATOM 1266 O GLU A 87 -13.209 -10.929 -5.897 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.729 -13.402 -6.546 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.605 -13.633 -7.559 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.813 -14.943 -8.321 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -11.607 -14.918 -9.286 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.174 -15.940 -7.921 1.00 0.00 O ATOM 0 H GLU A 87 -10.845 -12.938 -3.546 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.242 -12.231 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.975 -14.341 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.628 -13.070 -7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.568 -12.801 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.645 -13.657 -7.043 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.152 -9.988 -5.896 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.644 -8.648 -6.164 1.00 0.00 C ATOM 1280 C VAL A 88 -10.784 -8.002 -7.252 1.00 0.00 C ATOM 1281 O VAL A 88 -9.762 -8.557 -7.651 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.680 -7.834 -4.868 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.386 -8.609 -3.754 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.269 -7.422 -4.441 1.00 0.00 C ATOM 0 H VAL A 88 -10.139 -10.060 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.667 -8.685 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.251 -6.925 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.398 -8.009 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.410 -8.830 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.854 -9.542 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.322 -6.845 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.664 -8.313 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.815 -6.814 -5.223 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.230 -6.837 -7.700 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.513 -6.110 -8.734 1.00 0.00 C ATOM 1296 C GLU A 89 -10.016 -4.769 -8.192 1.00 0.00 C ATOM 1297 O GLU A 89 -10.800 -3.838 -8.014 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.391 -5.910 -9.972 1.00 0.00 C ATOM 1299 CG GLU A 89 -10.838 -6.687 -11.168 1.00 0.00 C ATOM 1300 CD GLU A 89 -11.962 -7.107 -12.116 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -12.528 -8.196 -11.879 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.231 -6.330 -13.058 1.00 0.00 O ATOM 0 H GLU A 89 -12.078 -6.379 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.648 -6.701 -9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.408 -6.240 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.445 -4.849 -10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.116 -6.071 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.304 -7.570 -10.817 1.00 0.00 H new ATOM 1309 N MET A 90 -8.715 -4.712 -7.944 1.00 0.00 N ATOM 1310 CA MET A 90 -8.104 -3.501 -7.426 1.00 0.00 C ATOM 1311 C MET A 90 -7.602 -2.610 -8.564 1.00 0.00 C ATOM 1312 O MET A 90 -6.962 -3.091 -9.497 1.00 0.00 O ATOM 1313 CB MET A 90 -6.934 -3.869 -6.511 1.00 0.00 C ATOM 1314 CG MET A 90 -6.245 -2.615 -5.970 1.00 0.00 C ATOM 1315 SD MET A 90 -4.989 -3.072 -4.787 1.00 0.00 S ATOM 1316 CE MET A 90 -4.296 -4.499 -5.606 1.00 0.00 C ATOM 0 H MET A 90 -8.068 -5.486 -8.093 1.00 0.00 H new ATOM 0 HA MET A 90 -8.857 -2.949 -6.863 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.294 -4.477 -5.681 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.214 -4.475 -7.061 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.797 -2.054 -6.790 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.979 -1.961 -5.499 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.592 -5.403 -5.074 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.664 -4.544 -6.631 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.209 -4.422 -5.613 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.911 -1.326 -8.448 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.499 -0.364 -9.456 1.00 0.00 C ATOM 1328 C LYS A 91 -6.420 0.550 -8.871 1.00 0.00 C ATOM 1329 O LYS A 91 -6.555 1.037 -7.750 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.712 0.390 -10.004 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.247 -0.280 -11.272 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.733 -0.615 -11.129 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.475 -0.387 -12.447 1.00 0.00 C ATOM 1334 NZ LYS A 91 -12.936 -0.518 -12.248 1.00 0.00 N ATOM 0 H LYS A 91 -8.441 -0.930 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.056 -0.874 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.496 0.424 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.435 1.421 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.100 0.381 -12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.683 -1.191 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.847 -1.653 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.175 0.002 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.242 0.604 -12.836 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.137 -1.108 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.425 -0.360 -13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.154 -1.473 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.256 0.187 -11.554 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.373 0.754 -9.657 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.271 1.601 -9.231 1.00 0.00 C ATOM 1350 C VAL A 92 -3.878 2.534 -10.378 1.00 0.00 C ATOM 1351 O VAL A 92 -3.918 2.142 -11.544 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.109 0.738 -8.737 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.511 -0.067 -7.499 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.599 -0.183 -9.848 1.00 0.00 C ATOM 0 H VAL A 92 -5.264 0.348 -10.586 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.573 2.227 -8.392 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.294 1.404 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.667 -0.672 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.803 0.615 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.350 -0.718 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.773 -0.786 -9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.406 -0.838 -10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.255 0.418 -10.689 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.507 3.751 -10.008 1.00 0.00 N ATOM 1365 CA VAL A 93 -3.107 4.743 -10.991 1.00 0.00 C ATOM 1366 C VAL A 93 -1.652 5.145 -10.740 1.00 0.00 C ATOM 1367 O VAL A 93 -1.112 4.895 -9.664 1.00 0.00 O ATOM 1368 CB VAL A 93 -4.070 5.931 -10.959 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.328 5.639 -11.780 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.430 6.305 -9.520 1.00 0.00 C ATOM 0 H VAL A 93 -3.475 4.072 -9.041 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.161 4.327 -11.997 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.565 6.784 -11.411 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.996 6.499 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.049 5.443 -12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.836 4.766 -11.369 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.116 7.152 -9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.907 5.455 -9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.524 6.574 -8.977 1.00 0.00 H new ATOM 1380 N SER A 94 -1.059 5.763 -11.752 1.00 0.00 N ATOM 1381 CA SER A 94 0.322 6.202 -11.654 1.00 0.00 C ATOM 1382 C SER A 94 0.374 7.701 -11.350 1.00 0.00 C ATOM 1383 O SER A 94 -0.480 8.460 -11.806 1.00 0.00 O ATOM 1384 CB SER A 94 1.091 5.895 -12.941 1.00 0.00 C ATOM 1385 OG SER A 94 0.515 4.807 -13.659 1.00 0.00 O ATOM 0 H SER A 94 -1.510 5.970 -12.643 1.00 0.00 H new ATOM 0 HA SER A 94 0.797 5.655 -10.840 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.105 6.781 -13.575 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.127 5.661 -12.697 1.00 0.00 H new ATOM 0 HG SER A 94 1.033 4.643 -14.475 1.00 0.00 H new ATOM 1391 N LEU A 95 1.384 8.082 -10.583 1.00 0.00 N ATOM 1392 CA LEU A 95 1.558 9.477 -10.213 1.00 0.00 C ATOM 1393 C LEU A 95 2.600 10.117 -11.132 1.00 0.00 C ATOM 1394 O LEU A 95 3.743 9.666 -11.190 1.00 0.00 O ATOM 1395 CB LEU A 95 1.893 9.599 -8.725 1.00 0.00 C ATOM 1396 CG LEU A 95 2.373 10.974 -8.256 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.346 12.057 -8.592 1.00 0.00 C ATOM 1398 CD2 LEU A 95 2.719 10.955 -6.766 1.00 0.00 C ATOM 0 H LEU A 95 2.091 7.450 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 95 0.628 10.027 -10.353 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.007 9.330 -8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.663 8.866 -8.485 1.00 0.00 H new ATOM 0 HG LEU A 95 3.288 11.219 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.712 13.024 -8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.192 12.090 -9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.402 11.829 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.057 11.944 -6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.835 10.679 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.511 10.228 -6.586 1.00 0.00 H new ATOM 1410 N LEU A 96 2.169 11.159 -11.828 1.00 0.00 N ATOM 1411 CA LEU A 96 3.050 11.866 -12.741 1.00 0.00 C ATOM 1412 C LEU A 96 3.321 13.270 -12.197 1.00 0.00 C ATOM 1413 O LEU A 96 2.388 14.017 -11.904 1.00 0.00 O ATOM 1414 CB LEU A 96 2.473 11.856 -14.158 1.00 0.00 C ATOM 1415 CG LEU A 96 1.944 10.510 -14.657 1.00 0.00 C ATOM 1416 CD1 LEU A 96 2.931 9.383 -14.345 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.551 10.225 -14.093 1.00 0.00 C ATOM 0 H LEU A 96 1.220 11.531 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 96 4.013 11.359 -12.810 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.662 12.582 -14.204 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.246 12.198 -14.846 1.00 0.00 H new ATOM 0 HG LEU A 96 1.847 10.562 -15.741 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.531 8.437 -14.710 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.883 9.587 -14.835 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.083 9.321 -13.267 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.198 9.262 -14.463 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.597 10.200 -13.004 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.137 11.009 -14.409 1.00 0.00 H new