USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 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 18 ASN :FLIP amide:sc= -2.2 F(o=-3.3,f=-2.2) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 161:sc= -3.67 (180deg=-4.91!) USER MOD Single : A 34 SER OG : rot 180:sc= -1.19 USER MOD Single : A 36 ASN : amide:sc=-0.00608 X(o=-0.0061,f=-0.02) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS :FLIP no HE2:sc= 0.0575 F(o=-0.56,f=0.057) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 165:sc= -3.73 (180deg=-4.09!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.755 -9.713 -0.484 1.00 0.00 N ATOM 123 CA VAL A 12 -12.359 -9.970 -0.797 1.00 0.00 C ATOM 124 C VAL A 12 -12.038 -11.438 -0.506 1.00 0.00 C ATOM 125 O VAL A 12 -12.447 -11.975 0.522 1.00 0.00 O ATOM 126 CB VAL A 12 -11.463 -8.999 -0.027 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.992 -9.199 -0.397 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.895 -7.550 -0.262 1.00 0.00 C ATOM 0 HA VAL A 12 -12.167 -9.798 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.573 -9.213 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.377 -8.496 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.691 -10.218 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.859 -9.025 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.241 -6.880 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.828 -7.318 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.923 -7.418 0.074 1.00 0.00 H new ATOM 138 N PRO A 13 -11.290 -12.061 -1.456 1.00 0.00 N ATOM 139 CA PRO A 13 -10.909 -13.456 -1.312 1.00 0.00 C ATOM 140 C PRO A 13 -9.793 -13.616 -0.277 1.00 0.00 C ATOM 141 O PRO A 13 -9.441 -12.661 0.414 1.00 0.00 O ATOM 142 CB PRO A 13 -10.494 -13.896 -2.706 1.00 0.00 C ATOM 143 CG PRO A 13 -10.214 -12.619 -3.481 1.00 0.00 C ATOM 144 CD PRO A 13 -10.788 -11.457 -2.686 1.00 0.00 C ATOM 0 HA PRO A 13 -11.722 -14.078 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.609 -14.531 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.283 -14.477 -3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.142 -12.489 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.668 -12.666 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.026 -10.706 -2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.585 -10.957 -3.236 1.00 0.00 H new ATOM 152 N ALA A 14 -9.268 -14.830 -0.203 1.00 0.00 N ATOM 153 CA ALA A 14 -8.199 -15.128 0.735 1.00 0.00 C ATOM 154 C ALA A 14 -6.894 -15.335 -0.035 1.00 0.00 C ATOM 155 O ALA A 14 -5.847 -15.577 0.565 1.00 0.00 O ATOM 156 CB ALA A 14 -8.582 -16.348 1.574 1.00 0.00 C ATOM 0 H ALA A 14 -9.563 -15.619 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.047 -14.295 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.780 -16.572 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.499 -16.138 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.740 -17.205 0.919 1.00 0.00 H new ATOM 162 N ASP A 15 -6.998 -15.233 -1.351 1.00 0.00 N ATOM 163 CA ASP A 15 -5.838 -15.406 -2.209 1.00 0.00 C ATOM 164 C ASP A 15 -5.293 -14.033 -2.607 1.00 0.00 C ATOM 165 O ASP A 15 -4.091 -13.875 -2.818 1.00 0.00 O ATOM 166 CB ASP A 15 -6.208 -16.156 -3.490 1.00 0.00 C ATOM 167 CG ASP A 15 -5.141 -17.126 -4.003 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.189 -16.634 -4.647 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.300 -18.337 -3.739 1.00 0.00 O ATOM 0 H ASP A 15 -7.868 -15.033 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.093 -15.979 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.129 -16.712 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.420 -15.427 -4.272 1.00 0.00 H new ATOM 174 N MET A 16 -6.203 -13.074 -2.696 1.00 0.00 N ATOM 175 CA MET A 16 -5.829 -11.719 -3.065 1.00 0.00 C ATOM 176 C MET A 16 -5.662 -10.840 -1.824 1.00 0.00 C ATOM 177 O MET A 16 -5.929 -11.280 -0.706 1.00 0.00 O ATOM 178 CB MET A 16 -6.904 -11.121 -3.974 1.00 0.00 C ATOM 179 CG MET A 16 -7.146 -12.011 -5.195 1.00 0.00 C ATOM 180 SD MET A 16 -5.593 -12.404 -5.981 1.00 0.00 S ATOM 181 CE MET A 16 -5.134 -10.789 -6.586 1.00 0.00 C ATOM 0 H MET A 16 -7.198 -13.208 -2.519 1.00 0.00 H new ATOM 0 HA MET A 16 -4.876 -11.756 -3.592 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.833 -11.003 -3.416 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.599 -10.126 -4.299 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.652 -12.928 -4.893 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.802 -11.503 -5.901 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.065 -10.770 -6.799 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.690 -10.571 -7.498 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.367 -10.038 -5.831 1.00 0.00 H new ATOM 191 N ILE A 17 -5.223 -9.612 -2.062 1.00 0.00 N ATOM 192 CA ILE A 17 -5.018 -8.667 -0.977 1.00 0.00 C ATOM 193 C ILE A 17 -5.675 -7.334 -1.338 1.00 0.00 C ATOM 194 O ILE A 17 -5.347 -6.732 -2.359 1.00 0.00 O ATOM 195 CB ILE A 17 -3.530 -8.549 -0.643 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.952 -9.903 -0.226 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.289 -7.473 0.417 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.535 -10.086 -0.773 1.00 0.00 C ATOM 0 H ILE A 17 -5.004 -9.250 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.498 -9.023 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.002 -8.237 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.938 -9.977 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.593 -10.705 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.223 -7.410 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.641 -6.511 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.831 -7.730 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.147 -11.056 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.556 -10.035 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.891 -9.297 -0.385 1.00 0.00 H new ATOM 210 N ASN A 18 -6.592 -6.911 -0.479 1.00 0.00 N ATOM 211 CA ASN A 18 -7.298 -5.659 -0.695 1.00 0.00 C ATOM 212 C ASN A 18 -6.402 -4.494 -0.269 1.00 0.00 C ATOM 213 O ASN A 18 -5.935 -4.448 0.868 1.00 0.00 O ATOM 214 CB ASN A 18 -8.579 -5.599 0.139 1.00 0.00 C ATOM 215 CG ASN A 18 -9.761 -5.120 -0.706 1.00 0.00 C ATOM 216 OD1 ASN A 18 -10.443 -4.116 -0.162 1.00 0.00 O flip ATOM 217 ND2 ASN A 18 -10.035 -5.627 -1.781 1.00 0.00 N flip ATOM 0 H ASN A 18 -6.862 -7.413 0.367 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.552 -5.593 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.797 -6.585 0.549 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.436 -4.926 0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.469 -6.396 -2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.830 -5.282 -2.320 1.00 0.00 H new ATOM 224 N LEU A 19 -6.190 -3.580 -1.205 1.00 0.00 N ATOM 225 CA LEU A 19 -5.359 -2.418 -0.942 1.00 0.00 C ATOM 226 C LEU A 19 -6.215 -1.153 -1.034 1.00 0.00 C ATOM 227 O LEU A 19 -7.032 -1.017 -1.943 1.00 0.00 O ATOM 228 CB LEU A 19 -4.143 -2.407 -1.870 1.00 0.00 C ATOM 229 CG LEU A 19 -2.950 -3.253 -1.422 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.149 -2.538 -0.332 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.401 -4.647 -0.981 1.00 0.00 C ATOM 0 H LEU A 19 -6.580 -3.621 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.957 -2.459 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.459 -2.753 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.809 -1.376 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.285 -3.385 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.307 -3.161 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.778 -1.588 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.790 -2.355 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.534 -5.228 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.098 -4.557 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.893 -5.150 -1.813 1.00 0.00 H new ATOM 243 N ARG A 20 -5.997 -0.259 -0.081 1.00 0.00 N ATOM 244 CA ARG A 20 -6.738 0.991 -0.044 1.00 0.00 C ATOM 245 C ARG A 20 -5.926 2.109 -0.700 1.00 0.00 C ATOM 246 O ARG A 20 -4.930 2.567 -0.143 1.00 0.00 O ATOM 247 CB ARG A 20 -7.073 1.390 1.395 1.00 0.00 C ATOM 248 CG ARG A 20 -8.573 1.258 1.666 1.00 0.00 C ATOM 249 CD ARG A 20 -8.912 1.684 3.096 1.00 0.00 C ATOM 250 NE ARG A 20 -10.331 1.386 3.389 1.00 0.00 N ATOM 251 CZ ARG A 20 -10.867 1.418 4.617 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.105 1.735 5.673 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.165 1.134 4.790 1.00 0.00 N ATOM 0 H ARG A 20 -5.318 -0.375 0.671 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.667 0.842 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.518 0.760 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.757 2.418 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.129 1.872 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.885 0.226 1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.268 1.160 3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.722 2.750 3.222 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.939 1.141 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.117 1.952 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.513 1.759 6.607 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.746 0.893 3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.572 1.159 5.725 1.00 0.00 H new ATOM 267 N LEU A 21 -6.383 2.517 -1.876 1.00 0.00 N ATOM 268 CA LEU A 21 -5.711 3.573 -2.614 1.00 0.00 C ATOM 269 C LEU A 21 -6.299 4.926 -2.208 1.00 0.00 C ATOM 270 O LEU A 21 -7.510 5.128 -2.285 1.00 0.00 O ATOM 271 CB LEU A 21 -5.776 3.300 -4.118 1.00 0.00 C ATOM 272 CG LEU A 21 -4.909 2.147 -4.628 1.00 0.00 C ATOM 273 CD1 LEU A 21 -3.428 2.534 -4.629 1.00 0.00 C ATOM 274 CD2 LEU A 21 -5.167 0.870 -3.827 1.00 0.00 C ATOM 0 H LEU A 21 -7.210 2.135 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.650 3.598 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.813 3.095 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.484 4.208 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.189 1.940 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.834 1.697 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.278 3.397 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.116 2.783 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.538 0.067 -4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.932 1.045 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.215 0.587 -3.922 1.00 0.00 H new ATOM 286 N ILE A 22 -5.415 5.817 -1.786 1.00 0.00 N ATOM 287 CA ILE A 22 -5.831 7.145 -1.369 1.00 0.00 C ATOM 288 C ILE A 22 -4.866 8.182 -1.946 1.00 0.00 C ATOM 289 O ILE A 22 -3.650 8.008 -1.881 1.00 0.00 O ATOM 290 CB ILE A 22 -5.965 7.210 0.154 1.00 0.00 C ATOM 291 CG1 ILE A 22 -7.085 6.291 0.646 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.159 8.653 0.626 1.00 0.00 C ATOM 293 CD1 ILE A 22 -6.514 5.080 1.386 1.00 0.00 C ATOM 0 H ILE A 22 -4.411 5.645 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.820 7.376 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.036 6.849 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.751 6.845 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.684 5.955 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.252 8.671 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.300 9.253 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.064 9.064 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.331 4.443 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.868 4.515 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.936 5.418 2.246 1.00 0.00 H new ATOM 416 N GLU A 30 -10.602 0.521 -3.335 1.00 0.00 N ATOM 417 CA GLU A 30 -10.218 -0.837 -2.988 1.00 0.00 C ATOM 418 C GLU A 30 -9.735 -1.586 -4.232 1.00 0.00 C ATOM 419 O GLU A 30 -10.457 -1.682 -5.223 1.00 0.00 O ATOM 420 CB GLU A 30 -11.376 -1.578 -2.317 1.00 0.00 C ATOM 421 CG GLU A 30 -11.643 -1.024 -0.916 1.00 0.00 C ATOM 422 CD GLU A 30 -12.661 -1.889 -0.169 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.605 -2.361 -0.839 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.472 -2.058 1.055 1.00 0.00 O ATOM 0 HA GLU A 30 -9.396 -0.791 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.275 -1.484 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.144 -2.641 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.711 -0.985 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.014 -0.002 -0.990 1.00 0.00 H new ATOM 431 N PHE A 31 -8.516 -2.098 -4.138 1.00 0.00 N ATOM 432 CA PHE A 31 -7.928 -2.835 -5.243 1.00 0.00 C ATOM 433 C PHE A 31 -7.671 -4.293 -4.854 1.00 0.00 C ATOM 434 O PHE A 31 -7.879 -4.678 -3.705 1.00 0.00 O ATOM 435 CB PHE A 31 -6.592 -2.164 -5.569 1.00 0.00 C ATOM 436 CG PHE A 31 -6.709 -0.983 -6.535 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.562 0.040 -6.258 1.00 0.00 C ATOM 438 CD2 PHE A 31 -5.960 -0.956 -7.669 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.670 1.136 -7.155 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.068 0.140 -8.566 1.00 0.00 C ATOM 441 CZ PHE A 31 -6.921 1.163 -8.289 1.00 0.00 C ATOM 0 H PHE A 31 -7.920 -2.017 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.605 -2.828 -6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.135 -1.818 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.919 -2.906 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.157 0.019 -5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.283 -1.768 -7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.347 1.948 -6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.473 0.161 -9.467 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.003 1.997 -8.970 1.00 0.00 H new ATOM 451 N LEU A 32 -7.221 -5.063 -5.834 1.00 0.00 N ATOM 452 CA LEU A 32 -6.934 -6.469 -5.609 1.00 0.00 C ATOM 453 C LEU A 32 -5.542 -6.794 -6.156 1.00 0.00 C ATOM 454 O LEU A 32 -5.239 -6.494 -7.310 1.00 0.00 O ATOM 455 CB LEU A 32 -8.044 -7.344 -6.194 1.00 0.00 C ATOM 456 CG LEU A 32 -9.339 -7.415 -5.383 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.554 -7.564 -6.301 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.271 -8.530 -4.337 1.00 0.00 C ATOM 0 H LEU A 32 -7.048 -4.739 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.918 -6.688 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.283 -6.975 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.657 -8.356 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.456 -6.475 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.461 -7.612 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.609 -6.708 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.458 -8.479 -6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.204 -8.559 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.118 -9.487 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.442 -8.339 -3.655 1.00 0.00 H new ATOM 470 N PHE A 33 -4.733 -7.404 -5.302 1.00 0.00 N ATOM 471 CA PHE A 33 -3.381 -7.773 -5.685 1.00 0.00 C ATOM 472 C PHE A 33 -3.004 -9.142 -5.116 1.00 0.00 C ATOM 473 O PHE A 33 -3.709 -9.679 -4.262 1.00 0.00 O ATOM 474 CB PHE A 33 -2.445 -6.715 -5.098 1.00 0.00 C ATOM 475 CG PHE A 33 -2.703 -5.299 -5.617 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.599 -5.032 -6.946 1.00 0.00 C ATOM 477 CD2 PHE A 33 -3.038 -4.307 -4.748 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.839 -3.717 -7.427 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.278 -2.993 -5.229 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.173 -2.726 -6.559 1.00 0.00 C ATOM 0 H PHE A 33 -4.988 -7.652 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.304 -7.827 -6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.546 -6.717 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.415 -6.991 -5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.334 -5.819 -7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.121 -4.519 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.756 -3.505 -8.483 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.544 -2.206 -4.539 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.355 -1.726 -6.925 1.00 0.00 H new ATOM 490 N SER A 34 -1.894 -9.668 -5.611 1.00 0.00 N ATOM 491 CA SER A 34 -1.415 -10.965 -5.162 1.00 0.00 C ATOM 492 C SER A 34 -0.115 -10.798 -4.372 1.00 0.00 C ATOM 493 O SER A 34 0.531 -9.754 -4.448 1.00 0.00 O ATOM 494 CB SER A 34 -1.200 -11.912 -6.345 1.00 0.00 C ATOM 495 OG SER A 34 -1.798 -13.186 -6.123 1.00 0.00 O ATOM 0 H SER A 34 -1.312 -9.220 -6.319 1.00 0.00 H new ATOM 0 HA SER A 34 -2.173 -11.404 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.620 -11.467 -7.247 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.131 -12.038 -6.519 1.00 0.00 H new ATOM 0 HG SER A 34 -1.641 -13.761 -6.901 1.00 0.00 H new ATOM 501 N PRO A 35 0.238 -11.870 -3.613 1.00 0.00 N ATOM 502 CA PRO A 35 1.449 -11.852 -2.810 1.00 0.00 C ATOM 503 C PRO A 35 2.691 -12.020 -3.688 1.00 0.00 C ATOM 504 O PRO A 35 3.816 -11.912 -3.204 1.00 0.00 O ATOM 505 CB PRO A 35 1.272 -12.980 -1.808 1.00 0.00 C ATOM 506 CG PRO A 35 0.189 -13.880 -2.379 1.00 0.00 C ATOM 507 CD PRO A 35 -0.504 -13.122 -3.500 1.00 0.00 C ATOM 0 HA PRO A 35 1.601 -10.902 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.203 -13.529 -1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.983 -12.593 -0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.622 -14.807 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.527 -14.155 -1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.478 -13.684 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.553 -12.941 -3.266 1.00 0.00 H new ATOM 515 N ASN A 36 2.444 -12.282 -4.963 1.00 0.00 N ATOM 516 CA ASN A 36 3.529 -12.466 -5.912 1.00 0.00 C ATOM 517 C ASN A 36 3.792 -11.148 -6.641 1.00 0.00 C ATOM 518 O ASN A 36 4.870 -10.948 -7.200 1.00 0.00 O ATOM 519 CB ASN A 36 3.170 -13.522 -6.960 1.00 0.00 C ATOM 520 CG ASN A 36 3.155 -14.923 -6.344 1.00 0.00 C ATOM 521 OD1 ASN A 36 4.135 -15.399 -5.796 1.00 0.00 O ATOM 522 ND2 ASN A 36 1.990 -15.553 -6.463 1.00 0.00 N ATOM 0 H ASN A 36 1.509 -12.371 -5.361 1.00 0.00 H new ATOM 0 HA ASN A 36 4.410 -12.791 -5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.192 -13.298 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.890 -13.488 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.877 -16.493 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.209 -15.096 -6.934 1.00 0.00 H new ATOM 529 N ASP A 37 2.790 -10.282 -6.613 1.00 0.00 N ATOM 530 CA ASP A 37 2.900 -8.988 -7.264 1.00 0.00 C ATOM 531 C ASP A 37 3.798 -8.075 -6.427 1.00 0.00 C ATOM 532 O ASP A 37 3.753 -8.111 -5.198 1.00 0.00 O ATOM 533 CB ASP A 37 1.531 -8.317 -7.391 1.00 0.00 C ATOM 534 CG ASP A 37 0.622 -8.901 -8.475 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.161 -9.630 -9.335 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.591 -8.605 -8.419 1.00 0.00 O ATOM 0 H ASP A 37 1.897 -10.451 -6.149 1.00 0.00 H new ATOM 0 HA ASP A 37 3.318 -9.146 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.018 -8.387 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.680 -7.257 -7.596 1.00 0.00 H new ATOM 541 N SER A 38 4.593 -7.278 -7.125 1.00 0.00 N ATOM 542 CA SER A 38 5.500 -6.357 -6.462 1.00 0.00 C ATOM 543 C SER A 38 4.873 -4.963 -6.393 1.00 0.00 C ATOM 544 O SER A 38 3.895 -4.683 -7.085 1.00 0.00 O ATOM 545 CB SER A 38 6.849 -6.298 -7.182 1.00 0.00 C ATOM 546 OG SER A 38 6.744 -5.681 -8.462 1.00 0.00 O ATOM 0 H SER A 38 4.628 -7.251 -8.144 1.00 0.00 H new ATOM 0 HA SER A 38 5.675 -6.720 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.562 -5.745 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.243 -7.308 -7.297 1.00 0.00 H new ATOM 0 HG SER A 38 7.626 -5.661 -8.889 1.00 0.00 H new ATOM 552 N ALA A 39 5.462 -4.125 -5.553 1.00 0.00 N ATOM 553 CA ALA A 39 4.973 -2.767 -5.385 1.00 0.00 C ATOM 554 C ALA A 39 4.765 -2.131 -6.761 1.00 0.00 C ATOM 555 O ALA A 39 3.764 -1.454 -6.991 1.00 0.00 O ATOM 556 CB ALA A 39 5.955 -1.974 -4.519 1.00 0.00 C ATOM 0 H ALA A 39 6.273 -4.360 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 39 4.011 -2.766 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.588 -0.955 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.046 -2.450 -3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.931 -1.951 -5.004 1.00 0.00 H new ATOM 562 N SER A 40 5.726 -2.371 -7.641 1.00 0.00 N ATOM 563 CA SER A 40 5.660 -1.830 -8.988 1.00 0.00 C ATOM 564 C SER A 40 4.344 -2.239 -9.652 1.00 0.00 C ATOM 565 O SER A 40 3.587 -1.386 -10.114 1.00 0.00 O ATOM 566 CB SER A 40 6.848 -2.302 -9.829 1.00 0.00 C ATOM 567 OG SER A 40 7.335 -1.275 -10.689 1.00 0.00 O ATOM 0 H SER A 40 6.555 -2.933 -7.447 1.00 0.00 H new ATOM 0 HA SER A 40 5.704 -0.743 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.650 -2.633 -9.170 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.550 -3.164 -10.426 1.00 0.00 H new ATOM 0 HG SER A 40 8.094 -1.615 -11.208 1.00 0.00 H new ATOM 573 N ASP A 41 4.111 -3.543 -9.678 1.00 0.00 N ATOM 574 CA ASP A 41 2.899 -4.074 -10.278 1.00 0.00 C ATOM 575 C ASP A 41 1.692 -3.288 -9.762 1.00 0.00 C ATOM 576 O ASP A 41 0.784 -2.965 -10.526 1.00 0.00 O ATOM 577 CB ASP A 41 2.699 -5.545 -9.906 1.00 0.00 C ATOM 578 CG ASP A 41 2.811 -6.528 -11.073 1.00 0.00 C ATOM 579 OD1 ASP A 41 1.792 -6.687 -11.780 1.00 0.00 O ATOM 580 OD2 ASP A 41 3.912 -7.098 -11.233 1.00 0.00 O ATOM 0 H ASP A 41 4.741 -4.247 -9.293 1.00 0.00 H new ATOM 0 HA ASP A 41 2.992 -3.985 -11.360 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.436 -5.816 -9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.716 -5.658 -9.448 1.00 0.00 H new ATOM 585 N ILE A 42 1.722 -3.003 -8.468 1.00 0.00 N ATOM 586 CA ILE A 42 0.642 -2.260 -7.841 1.00 0.00 C ATOM 587 C ILE A 42 0.586 -0.851 -8.433 1.00 0.00 C ATOM 588 O ILE A 42 -0.329 -0.527 -9.189 1.00 0.00 O ATOM 589 CB ILE A 42 0.790 -2.282 -6.318 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.754 -3.716 -5.784 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.263 -1.395 -5.652 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.059 -3.750 -4.285 1.00 0.00 C ATOM 0 H ILE A 42 2.477 -3.273 -7.837 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.317 -2.732 -8.052 1.00 0.00 H new ATOM 0 HB ILE A 42 1.766 -1.869 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.228 -4.152 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.480 -4.326 -6.321 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.135 -1.429 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.146 -0.368 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.259 -1.755 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.027 -4.780 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.051 -3.335 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.316 -3.159 -3.749 1.00 0.00 H new ATOM 604 N ALA A 43 1.576 -0.050 -8.067 1.00 0.00 N ATOM 605 CA ALA A 43 1.652 1.317 -8.553 1.00 0.00 C ATOM 606 C ALA A 43 1.347 1.339 -10.052 1.00 0.00 C ATOM 607 O ALA A 43 0.531 2.136 -10.512 1.00 0.00 O ATOM 608 CB ALA A 43 3.029 1.899 -8.230 1.00 0.00 C ATOM 0 H ALA A 43 2.333 -0.322 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 43 0.910 1.942 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.085 2.925 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.184 1.889 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.800 1.299 -8.713 1.00 0.00 H new ATOM 614 N LYS A 44 2.019 0.453 -10.773 1.00 0.00 N ATOM 615 CA LYS A 44 1.831 0.361 -12.211 1.00 0.00 C ATOM 616 C LYS A 44 0.369 0.022 -12.509 1.00 0.00 C ATOM 617 O LYS A 44 -0.280 0.701 -13.304 1.00 0.00 O ATOM 618 CB LYS A 44 2.827 -0.628 -12.819 1.00 0.00 C ATOM 619 CG LYS A 44 3.203 -0.221 -14.245 1.00 0.00 C ATOM 620 CD LYS A 44 4.716 -0.304 -14.458 1.00 0.00 C ATOM 621 CE LYS A 44 5.052 -0.481 -15.940 1.00 0.00 C ATOM 622 NZ LYS A 44 5.496 -1.867 -16.209 1.00 0.00 N ATOM 0 H LYS A 44 2.694 -0.207 -10.388 1.00 0.00 H new ATOM 0 HA LYS A 44 2.040 1.320 -12.685 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.724 -0.672 -12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.394 -1.628 -12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.696 -0.871 -14.958 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.860 0.795 -14.439 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.190 0.601 -14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.122 -1.139 -13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.177 -0.249 -16.547 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.835 0.220 -16.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.720 -1.970 -17.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.343 -2.076 -15.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.737 -2.530 -15.953 1.00 0.00 H new ATOM 636 N HIS A 45 -0.107 -1.027 -11.854 1.00 0.00 N ATOM 637 CA HIS A 45 -1.481 -1.464 -12.039 1.00 0.00 C ATOM 638 C HIS A 45 -2.411 -0.249 -12.034 1.00 0.00 C ATOM 639 O HIS A 45 -3.198 -0.061 -12.960 1.00 0.00 O ATOM 640 CB HIS A 45 -1.865 -2.508 -10.989 1.00 0.00 C ATOM 641 CG HIS A 45 -3.334 -2.854 -10.976 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.375 -2.296 -10.294 1.00 0.00 N flip ATOM 643 CD2 HIS A 45 -3.868 -3.886 -11.728 1.00 0.00 C flip ATOM 644 CE1 HIS A 45 -5.485 -2.950 -10.613 1.00 0.00 C flip ATOM 645 NE2 HIS A 45 -5.173 -3.937 -11.502 1.00 0.00 N flip ATOM 0 H HIS A 45 0.434 -1.587 -11.195 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.583 -1.953 -13.008 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.290 -3.417 -11.168 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.580 -2.139 -10.004 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.311 -1.509 -9.648 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.315 -4.539 -12.387 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.473 -2.736 -10.232 1.00 0.00 H new ATOM 997 N LEU A 67 5.243 3.738 -3.433 1.00 0.00 N ATOM 998 CA LEU A 67 4.044 3.371 -2.699 1.00 0.00 C ATOM 999 C LEU A 67 4.281 3.586 -1.202 1.00 0.00 C ATOM 1000 O LEU A 67 5.315 3.185 -0.670 1.00 0.00 O ATOM 1001 CB LEU A 67 3.613 1.946 -3.054 1.00 0.00 C ATOM 1002 CG LEU A 67 3.285 1.031 -1.873 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.991 1.467 -1.184 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.234 -0.434 -2.312 1.00 0.00 C ATOM 0 HA LEU A 67 3.211 4.013 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.736 2.003 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.408 1.482 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 67 4.086 1.120 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.781 0.800 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.101 2.487 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.167 1.426 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.999 -1.063 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.465 -0.559 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.201 -0.725 -2.721 1.00 0.00 H new ATOM 1016 N ILE A 68 3.306 4.220 -0.567 1.00 0.00 N ATOM 1017 CA ILE A 68 3.396 4.494 0.857 1.00 0.00 C ATOM 1018 C ILE A 68 2.508 3.508 1.619 1.00 0.00 C ATOM 1019 O ILE A 68 1.389 3.221 1.196 1.00 0.00 O ATOM 1020 CB ILE A 68 3.070 5.962 1.142 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.126 6.886 0.532 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.896 6.203 2.643 1.00 0.00 C ATOM 1023 CD1 ILE A 68 3.644 7.465 -0.800 1.00 0.00 C ATOM 0 H ILE A 68 2.450 4.552 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 68 4.416 4.343 1.210 1.00 0.00 H new ATOM 0 HB ILE A 68 2.119 6.200 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.349 7.697 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.053 6.333 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.665 7.254 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.081 5.585 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.818 5.943 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.413 8.118 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.445 6.653 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.730 8.037 -0.639 1.00 0.00 H new ATOM 1035 N TYR A 69 3.040 3.016 2.728 1.00 0.00 N ATOM 1036 CA TYR A 69 2.309 2.068 3.552 1.00 0.00 C ATOM 1037 C TYR A 69 2.366 2.468 5.028 1.00 0.00 C ATOM 1038 O TYR A 69 3.436 2.468 5.634 1.00 0.00 O ATOM 1039 CB TYR A 69 3.015 0.723 3.373 1.00 0.00 C ATOM 1040 CG TYR A 69 2.401 -0.415 4.191 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.051 -0.407 4.480 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.196 -1.450 4.639 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.473 -1.478 5.250 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.618 -2.522 5.408 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.285 -2.483 5.676 1.00 0.00 C ATOM 1046 OH TYR A 69 0.739 -3.494 6.403 1.00 0.00 O ATOM 0 H TYR A 69 3.969 3.256 3.075 1.00 0.00 H new ATOM 0 HA TYR A 69 1.260 2.032 3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.994 0.451 2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.063 0.834 3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.428 0.402 4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.252 -1.456 4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.581 -1.483 5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.229 -3.338 5.764 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.196 -3.621 6.137 1.00 0.00 H new ATOM 1056 N GLN A 70 1.200 2.798 5.564 1.00 0.00 N ATOM 1057 CA GLN A 70 1.103 3.199 6.957 1.00 0.00 C ATOM 1058 C GLN A 70 1.993 4.415 7.223 1.00 0.00 C ATOM 1059 O GLN A 70 2.496 4.590 8.331 1.00 0.00 O ATOM 1060 CB GLN A 70 1.467 2.040 7.887 1.00 0.00 C ATOM 1061 CG GLN A 70 0.230 1.210 8.239 1.00 0.00 C ATOM 1062 CD GLN A 70 0.026 1.145 9.754 1.00 0.00 C ATOM 1063 OE1 GLN A 70 -0.618 1.988 10.356 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.610 0.100 10.334 1.00 0.00 N ATOM 0 H GLN A 70 0.314 2.796 5.058 1.00 0.00 H new ATOM 0 HA GLN A 70 0.070 3.478 7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.211 1.404 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.920 2.429 8.799 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.651 1.646 7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.339 0.202 7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.135 -0.569 9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.533 -0.033 11.342 1.00 0.00 H new ATOM 1073 N GLY A 71 2.159 5.224 6.187 1.00 0.00 N ATOM 1074 CA GLY A 71 2.980 6.418 6.294 1.00 0.00 C ATOM 1075 C GLY A 71 4.377 6.178 5.720 1.00 0.00 C ATOM 1076 O GLY A 71 4.986 7.086 5.158 1.00 0.00 O ATOM 0 H GLY A 71 1.739 5.076 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.502 7.241 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.059 6.716 7.339 1.00 0.00 H new ATOM 1080 N ARG A 72 4.845 4.949 5.882 1.00 0.00 N ATOM 1081 CA ARG A 72 6.159 4.577 5.387 1.00 0.00 C ATOM 1082 C ARG A 72 6.104 4.313 3.881 1.00 0.00 C ATOM 1083 O ARG A 72 5.042 4.411 3.268 1.00 0.00 O ATOM 1084 CB ARG A 72 6.683 3.327 6.098 1.00 0.00 C ATOM 1085 CG ARG A 72 7.262 3.678 7.469 1.00 0.00 C ATOM 1086 CD ARG A 72 7.313 2.446 8.375 1.00 0.00 C ATOM 1087 NE ARG A 72 8.009 2.775 9.639 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.863 2.085 10.778 1.00 0.00 C ATOM 1089 NH1 ARG A 72 7.047 1.023 10.819 1.00 0.00 N ATOM 1090 NH2 ARG A 72 8.534 2.457 11.877 1.00 0.00 N ATOM 0 H ARG A 72 4.337 4.198 6.349 1.00 0.00 H new ATOM 0 HA ARG A 72 6.836 5.407 5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.875 2.605 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.450 2.851 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.265 4.088 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.654 4.453 7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.302 2.098 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.830 1.632 7.867 1.00 0.00 H new ATOM 0 HE ARG A 72 8.639 3.577 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.537 0.739 9.983 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.936 0.498 11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.156 3.265 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.423 1.932 12.744 1.00 0.00 H new ATOM 1104 N PHE A 73 7.262 3.984 3.327 1.00 0.00 N ATOM 1105 CA PHE A 73 7.358 3.705 1.904 1.00 0.00 C ATOM 1106 C PHE A 73 7.883 2.289 1.657 1.00 0.00 C ATOM 1107 O PHE A 73 8.790 1.830 2.350 1.00 0.00 O ATOM 1108 CB PHE A 73 8.349 4.713 1.317 1.00 0.00 C ATOM 1109 CG PHE A 73 7.891 6.169 1.423 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.001 6.833 2.605 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.373 6.800 0.335 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.576 8.184 2.703 1.00 0.00 C ATOM 1113 CE2 PHE A 73 6.948 8.151 0.433 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.059 8.815 1.615 1.00 0.00 C ATOM 0 H PHE A 73 8.141 3.904 3.838 1.00 0.00 H new ATOM 0 HA PHE A 73 6.374 3.785 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.306 4.606 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.519 4.472 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.412 6.332 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.285 6.273 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.663 8.711 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.537 8.652 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.737 9.843 1.689 1.00 0.00 H new ATOM 1124 N LEU A 74 7.291 1.638 0.667 1.00 0.00 N ATOM 1125 CA LEU A 74 7.688 0.284 0.320 1.00 0.00 C ATOM 1126 C LEU A 74 8.577 0.320 -0.924 1.00 0.00 C ATOM 1127 O LEU A 74 8.416 1.188 -1.782 1.00 0.00 O ATOM 1128 CB LEU A 74 6.457 -0.613 0.170 1.00 0.00 C ATOM 1129 CG LEU A 74 5.668 -0.889 1.451 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.438 -1.751 1.162 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.564 -1.509 2.525 1.00 0.00 C ATOM 0 H LEU A 74 6.540 2.023 0.094 1.00 0.00 H new ATOM 0 HA LEU A 74 8.280 -0.157 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.785 -0.155 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.776 -1.567 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 74 5.309 0.063 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.895 -1.932 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.788 -1.233 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.753 -2.703 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.978 -1.695 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.974 -2.450 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.379 -0.824 2.758 1.00 0.00 H new ATOM 1143 N HIS A 75 9.497 -0.631 -0.984 1.00 0.00 N ATOM 1144 CA HIS A 75 10.412 -0.719 -2.109 1.00 0.00 C ATOM 1145 C HIS A 75 9.654 -1.186 -3.353 1.00 0.00 C ATOM 1146 O HIS A 75 8.567 -1.752 -3.245 1.00 0.00 O ATOM 1147 CB HIS A 75 11.605 -1.615 -1.770 1.00 0.00 C ATOM 1148 CG HIS A 75 12.940 -1.043 -2.184 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.576 -1.398 -3.360 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.751 -0.137 -1.566 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.718 -0.730 -3.436 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.825 0.050 -2.323 1.00 0.00 N ATOM 0 H HIS A 75 9.629 -1.348 -0.271 1.00 0.00 H new ATOM 0 HA HIS A 75 10.822 0.267 -2.326 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.616 -1.796 -0.695 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.469 -2.582 -2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.553 0.346 -0.621 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.438 -0.793 -4.239 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.602 0.674 -2.108 1.00 0.00 H new ATOM 1160 N GLY A 76 10.257 -0.932 -4.505 1.00 0.00 N ATOM 1161 CA GLY A 76 9.652 -1.319 -5.767 1.00 0.00 C ATOM 1162 C GLY A 76 9.789 -2.825 -6.002 1.00 0.00 C ATOM 1163 O GLY A 76 8.956 -3.431 -6.674 1.00 0.00 O ATOM 0 H GLY A 76 11.159 -0.463 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.598 -1.041 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.127 -0.775 -6.584 1.00 0.00 H new ATOM 1167 N ASN A 77 10.848 -3.385 -5.436 1.00 0.00 N ATOM 1168 CA ASN A 77 11.106 -4.808 -5.576 1.00 0.00 C ATOM 1169 C ASN A 77 10.268 -5.577 -4.552 1.00 0.00 C ATOM 1170 O ASN A 77 9.986 -6.760 -4.738 1.00 0.00 O ATOM 1171 CB ASN A 77 12.579 -5.129 -5.317 1.00 0.00 C ATOM 1172 CG ASN A 77 13.196 -5.870 -6.505 1.00 0.00 C ATOM 1173 OD1 ASN A 77 13.630 -5.280 -7.480 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.211 -7.193 -6.368 1.00 0.00 N ATOM 0 H ASN A 77 11.537 -2.879 -4.880 1.00 0.00 H new ATOM 0 HA ASN A 77 10.847 -5.099 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.129 -4.206 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.669 -5.738 -4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.603 -7.778 -7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.831 -7.623 -5.525 1.00 0.00 H new ATOM 1181 N VAL A 78 9.892 -4.873 -3.495 1.00 0.00 N ATOM 1182 CA VAL A 78 9.091 -5.474 -2.441 1.00 0.00 C ATOM 1183 C VAL A 78 7.828 -6.084 -3.052 1.00 0.00 C ATOM 1184 O VAL A 78 7.304 -5.573 -4.041 1.00 0.00 O ATOM 1185 CB VAL A 78 8.791 -4.438 -1.357 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.579 -4.855 -0.521 1.00 0.00 C ATOM 1187 CG2 VAL A 78 10.015 -4.203 -0.469 1.00 0.00 C ATOM 0 H VAL A 78 10.127 -3.892 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 78 9.640 -6.281 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 78 8.550 -3.497 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.387 -4.101 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.706 -4.948 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.780 -5.814 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.775 -3.462 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.301 -5.139 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.843 -3.841 -1.079 1.00 0.00 H new ATOM 1197 N THR A 79 7.376 -7.167 -2.438 1.00 0.00 N ATOM 1198 CA THR A 79 6.184 -7.852 -2.909 1.00 0.00 C ATOM 1199 C THR A 79 5.313 -8.280 -1.726 1.00 0.00 C ATOM 1200 O THR A 79 5.823 -8.773 -0.721 1.00 0.00 O ATOM 1201 CB THR A 79 6.628 -9.021 -3.791 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.462 -9.801 -2.939 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.559 -8.580 -4.922 1.00 0.00 C ATOM 0 H THR A 79 7.814 -7.587 -1.618 1.00 0.00 H new ATOM 0 HA THR A 79 5.559 -7.191 -3.510 1.00 0.00 H new ATOM 0 HB THR A 79 5.751 -9.511 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.793 -10.582 -3.430 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.844 -9.447 -5.517 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.045 -7.858 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.452 -8.120 -4.499 1.00 0.00 H new ATOM 1211 N LEU A 80 4.013 -8.075 -1.885 1.00 0.00 N ATOM 1212 CA LEU A 80 3.066 -8.434 -0.843 1.00 0.00 C ATOM 1213 C LEU A 80 3.479 -9.770 -0.223 1.00 0.00 C ATOM 1214 O LEU A 80 3.247 -10.007 0.962 1.00 0.00 O ATOM 1215 CB LEU A 80 1.638 -8.426 -1.392 1.00 0.00 C ATOM 1216 CG LEU A 80 1.017 -7.047 -1.624 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.320 -7.165 -2.359 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.882 -6.277 -0.309 1.00 0.00 C ATOM 0 H LEU A 80 3.594 -7.665 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 80 3.080 -7.693 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.630 -8.970 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.001 -8.978 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 80 1.688 -6.474 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.740 -6.171 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.163 -7.645 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.010 -7.764 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.438 -5.301 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.245 -6.836 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.867 -6.145 0.138 1.00 0.00 H new ATOM 1230 N GLY A 81 4.084 -10.609 -1.051 1.00 0.00 N ATOM 1231 CA GLY A 81 4.532 -11.915 -0.598 1.00 0.00 C ATOM 1232 C GLY A 81 5.538 -11.783 0.547 1.00 0.00 C ATOM 1233 O GLY A 81 5.329 -12.333 1.628 1.00 0.00 O ATOM 0 H GLY A 81 4.274 -10.410 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.675 -12.503 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.989 -12.455 -1.428 1.00 0.00 H new ATOM 1237 N ALA A 82 6.608 -11.052 0.272 1.00 0.00 N ATOM 1238 CA ALA A 82 7.647 -10.842 1.265 1.00 0.00 C ATOM 1239 C ALA A 82 7.050 -10.120 2.476 1.00 0.00 C ATOM 1240 O ALA A 82 7.596 -10.190 3.575 1.00 0.00 O ATOM 1241 CB ALA A 82 8.805 -10.065 0.636 1.00 0.00 C ATOM 0 H ALA A 82 6.778 -10.597 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 82 8.045 -11.796 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.585 -9.907 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.212 -10.633 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.444 -9.100 0.279 1.00 0.00 H new ATOM 1247 N LEU A 83 5.937 -9.444 2.232 1.00 0.00 N ATOM 1248 CA LEU A 83 5.260 -8.711 3.288 1.00 0.00 C ATOM 1249 C LEU A 83 4.365 -9.669 4.076 1.00 0.00 C ATOM 1250 O LEU A 83 3.725 -9.270 5.047 1.00 0.00 O ATOM 1251 CB LEU A 83 4.514 -7.507 2.711 1.00 0.00 C ATOM 1252 CG LEU A 83 5.382 -6.432 2.052 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.517 -5.364 1.381 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.362 -5.826 3.059 1.00 0.00 C ATOM 0 H LEU A 83 5.487 -9.389 1.318 1.00 0.00 H new ATOM 0 HA LEU A 83 5.985 -8.301 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.796 -7.868 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.941 -7.042 3.513 1.00 0.00 H new ATOM 0 HG LEU A 83 5.975 -6.904 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.159 -4.613 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.895 -5.828 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.880 -4.889 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.967 -5.065 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.806 -5.372 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.012 -6.609 3.450 1.00 0.00 H new ATOM 1266 N LYS A 84 4.348 -10.916 3.627 1.00 0.00 N ATOM 1267 CA LYS A 84 3.542 -11.935 4.278 1.00 0.00 C ATOM 1268 C LYS A 84 2.289 -11.286 4.870 1.00 0.00 C ATOM 1269 O LYS A 84 1.917 -11.570 6.007 1.00 0.00 O ATOM 1270 CB LYS A 84 4.377 -12.706 5.302 1.00 0.00 C ATOM 1271 CG LYS A 84 5.134 -11.749 6.225 1.00 0.00 C ATOM 1272 CD LYS A 84 4.215 -11.203 7.321 1.00 0.00 C ATOM 1273 CE LYS A 84 5.025 -10.737 8.533 1.00 0.00 C ATOM 1274 NZ LYS A 84 4.124 -10.379 9.651 1.00 0.00 N ATOM 0 H LYS A 84 4.879 -11.243 2.820 1.00 0.00 H new ATOM 0 HA LYS A 84 3.206 -12.676 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.728 -13.351 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.085 -13.354 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.979 -12.267 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.542 -10.923 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.629 -10.372 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.508 -11.975 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.708 -11.526 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.636 -9.876 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.689 -10.065 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.489 -9.611 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.559 -11.209 9.921 1.00 0.00 H new ATOM 1288 N LEU A 85 1.672 -10.428 4.071 1.00 0.00 N ATOM 1289 CA LEU A 85 0.469 -9.737 4.501 1.00 0.00 C ATOM 1290 C LEU A 85 -0.691 -10.733 4.565 1.00 0.00 C ATOM 1291 O LEU A 85 -0.723 -11.703 3.810 1.00 0.00 O ATOM 1292 CB LEU A 85 0.194 -8.530 3.602 1.00 0.00 C ATOM 1293 CG LEU A 85 0.212 -7.163 4.290 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.348 -7.079 5.312 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.281 -6.032 3.261 1.00 0.00 C ATOM 0 H LEU A 85 1.983 -10.196 3.128 1.00 0.00 H new ATOM 0 HA LEU A 85 0.600 -9.334 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.934 -8.522 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.781 -8.666 3.133 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.723 -7.043 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.339 -6.098 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.213 -7.850 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.303 -7.229 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.293 -5.072 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.189 -6.136 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.589 -6.082 2.606 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.640 -10.451 5.497 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.798 -11.311 5.670 1.00 0.00 C ATOM 1309 C PRO A 86 -3.804 -11.109 4.535 1.00 0.00 C ATOM 1310 O PRO A 86 -4.134 -9.977 4.187 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.360 -10.945 7.034 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.780 -9.581 7.372 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.635 -9.311 6.409 1.00 0.00 C ATOM 0 HA PRO A 86 -2.545 -12.371 5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.449 -10.911 7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.079 -11.685 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.544 -8.809 7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.425 -9.562 8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.782 -8.374 5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.685 -9.230 6.937 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.264 -12.226 3.989 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.226 -12.186 2.901 1.00 0.00 C ATOM 1323 C PHE A 87 -6.614 -11.791 3.410 1.00 0.00 C ATOM 1324 O PHE A 87 -6.828 -11.680 4.616 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.294 -13.597 2.313 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.984 -14.071 1.681 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.190 -13.189 1.018 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.614 -15.376 1.782 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.975 -13.629 0.431 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.398 -15.817 1.195 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.604 -14.934 0.532 1.00 0.00 C ATOM 0 H PHE A 87 -3.988 -13.164 4.280 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.918 -11.450 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.579 -14.295 3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.081 -13.628 1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.484 -12.153 0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.245 -16.077 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.345 -12.928 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.104 -16.853 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.679 -15.269 0.086 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.520 -11.589 2.465 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.881 -11.208 2.802 1.00 0.00 C ATOM 1343 C GLY A 88 -8.895 -10.072 3.827 1.00 0.00 C ATOM 1344 O GLY A 88 -9.716 -10.067 4.743 1.00 0.00 O ATOM 0 H GLY A 88 -7.338 -11.682 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.409 -10.896 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.415 -12.070 3.202 1.00 0.00 H new ATOM 1348 N LYS A 89 -7.975 -9.137 3.639 1.00 0.00 N ATOM 1349 CA LYS A 89 -7.871 -7.999 4.536 1.00 0.00 C ATOM 1350 C LYS A 89 -7.791 -6.712 3.712 1.00 0.00 C ATOM 1351 O LYS A 89 -7.763 -6.758 2.483 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.700 -8.184 5.503 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.102 -9.066 6.687 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.085 -8.271 7.994 1.00 0.00 C ATOM 1355 CE LYS A 89 -7.924 -8.964 9.069 1.00 0.00 C ATOM 1356 NZ LYS A 89 -9.305 -8.431 9.072 1.00 0.00 N ATOM 0 H LYS A 89 -7.295 -9.144 2.879 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.761 -7.924 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.858 -8.635 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.366 -7.212 5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.098 -9.475 6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.419 -9.912 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.058 -8.161 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.471 -7.267 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.943 -10.039 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.468 -8.814 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.861 -8.912 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.283 -7.410 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.743 -8.596 8.143 1.00 0.00 H new ATOM 1370 N THR A 90 -7.754 -5.594 4.422 1.00 0.00 N ATOM 1371 CA THR A 90 -7.678 -4.297 3.772 1.00 0.00 C ATOM 1372 C THR A 90 -6.510 -3.486 4.337 1.00 0.00 C ATOM 1373 O THR A 90 -6.504 -3.138 5.517 1.00 0.00 O ATOM 1374 CB THR A 90 -9.033 -3.605 3.935 1.00 0.00 C ATOM 1375 OG1 THR A 90 -9.968 -4.548 3.419 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.184 -2.390 3.017 1.00 0.00 C ATOM 0 H THR A 90 -7.775 -5.560 5.441 1.00 0.00 H new ATOM 0 HA THR A 90 -7.476 -4.400 2.706 1.00 0.00 H new ATOM 0 HB THR A 90 -9.160 -3.294 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.874 -4.181 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.163 -1.936 3.172 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.406 -1.662 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.091 -2.705 1.978 1.00 0.00 H new ATOM 1384 N THR A 91 -5.549 -3.208 3.468 1.00 0.00 N ATOM 1385 CA THR A 91 -4.378 -2.445 3.866 1.00 0.00 C ATOM 1386 C THR A 91 -4.475 -1.010 3.344 1.00 0.00 C ATOM 1387 O THR A 91 -4.964 -0.779 2.239 1.00 0.00 O ATOM 1388 CB THR A 91 -3.137 -3.189 3.369 1.00 0.00 C ATOM 1389 OG1 THR A 91 -2.867 -4.139 4.397 1.00 0.00 O ATOM 1390 CG2 THR A 91 -1.891 -2.301 3.346 1.00 0.00 C ATOM 0 H THR A 91 -5.557 -3.497 2.490 1.00 0.00 H new ATOM 0 HA THR A 91 -4.311 -2.360 4.951 1.00 0.00 H new ATOM 0 HB THR A 91 -3.324 -3.578 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.077 -4.667 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.039 -2.878 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.061 -1.453 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.684 -1.939 4.353 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.002 -0.083 4.164 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.029 1.323 3.799 1.00 0.00 C ATOM 1400 C VAL A 92 -2.691 1.707 3.163 1.00 0.00 C ATOM 1401 O VAL A 92 -1.631 1.403 3.707 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.375 2.175 5.022 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.241 3.666 4.708 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.777 1.847 5.540 1.00 0.00 C ATOM 0 H VAL A 92 -3.598 -0.278 5.080 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.807 1.510 3.058 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.662 1.934 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.493 4.249 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.216 3.884 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.919 3.929 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.998 2.466 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.510 2.045 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.824 0.795 5.823 1.00 0.00 H new ATOM 1414 N MET A 93 -2.785 2.369 2.019 1.00 0.00 N ATOM 1415 CA MET A 93 -1.595 2.797 1.303 1.00 0.00 C ATOM 1416 C MET A 93 -1.879 4.047 0.467 1.00 0.00 C ATOM 1417 O MET A 93 -2.976 4.205 -0.067 1.00 0.00 O ATOM 1418 CB MET A 93 -1.116 1.668 0.388 1.00 0.00 C ATOM 1419 CG MET A 93 -0.463 0.546 1.198 1.00 0.00 C ATOM 1420 SD MET A 93 0.216 -0.685 0.098 1.00 0.00 S ATOM 1421 CE MET A 93 1.073 -1.715 1.277 1.00 0.00 C ATOM 0 H MET A 93 -3.666 2.619 1.570 1.00 0.00 H new ATOM 0 HA MET A 93 -0.821 3.038 2.032 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.959 1.270 -0.177 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.403 2.060 -0.337 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.325 0.954 1.831 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.198 0.088 1.860 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.328 -2.667 0.811 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.985 -1.214 1.602 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.430 -1.894 2.139 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.871 4.902 0.378 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.998 6.132 -0.384 1.00 0.00 C ATOM 1433 C HIS A 94 -0.066 6.084 -1.596 1.00 0.00 C ATOM 1434 O HIS A 94 0.872 5.288 -1.631 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.749 7.351 0.507 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.857 7.626 1.495 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.207 6.736 2.495 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.688 8.700 1.626 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.206 7.261 3.191 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.502 8.478 2.651 1.00 0.00 N ATOM 0 H HIS A 94 0.038 4.767 0.821 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.018 6.229 -0.757 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.183 7.205 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.614 8.229 -0.125 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.684 9.581 1.002 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.699 6.805 4.037 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.229 9.113 2.980 1.00 0.00 H new