USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot -83:sc= -4.15! USER MOD Set 1.2: A 87 CYS SG : rot 126:sc= -0.85! USER MOD Set 1.3: A 105 CYS SG : rot -104:sc= -10.6! USER MOD Set 1.4: A 108 CYS SG : rot -172:sc= -5.26! USER MOD Set 2.1: A 80 THR OG1 : rot -53:sc= 0.517 USER MOD Set 2.2: A 83 THR OG1 : rot 103:sc= 0.883 USER MOD Set 3.1: A 8 ASN : amide:sc= -0.685 K(o=-0.66,f=-1.6) USER MOD Set 3.2: A 11 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.618 K(o=0.62,f=-7.8!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.172 X(o=-0.17,f=0.02) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -2.19 K(o=-2.2,f=-2.7) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 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 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= -3.35! (180deg=-5.57!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -79:sc= 1.83 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 12.629 9.507 -11.457 1.00 0.00 N ATOM 97 CA ASN A 8 13.281 10.098 -10.276 1.00 0.00 C ATOM 98 C ASN A 8 12.304 10.986 -9.473 1.00 0.00 C ATOM 99 O ASN A 8 12.035 12.133 -9.850 1.00 0.00 O ATOM 100 CB ASN A 8 14.578 10.869 -10.659 1.00 0.00 C ATOM 101 CG ASN A 8 15.409 11.298 -9.440 1.00 0.00 C ATOM 102 OD1 ASN A 8 15.438 10.608 -8.416 1.00 0.00 O ATOM 103 ND2 ASN A 8 16.082 12.439 -9.525 1.00 0.00 N ATOM 0 HA ASN A 8 13.579 9.275 -9.626 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.190 10.239 -11.305 1.00 0.00 H new ATOM 0 HB3 ASN A 8 14.310 11.753 -11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.639 12.763 -8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.043 12.992 -10.381 1.00 0.00 H new ATOM 110 N VAL A 9 11.777 10.437 -8.357 1.00 0.00 N ATOM 111 CA VAL A 9 10.843 11.168 -7.469 1.00 0.00 C ATOM 112 C VAL A 9 11.528 12.424 -6.883 1.00 0.00 C ATOM 113 O VAL A 9 10.860 13.401 -6.564 1.00 0.00 O ATOM 114 CB VAL A 9 10.295 10.260 -6.297 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.230 10.997 -5.455 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.719 8.930 -6.824 1.00 0.00 C ATOM 0 H VAL A 9 11.983 9.487 -8.048 1.00 0.00 H new ATOM 0 HA VAL A 9 9.991 11.467 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 9 11.148 10.035 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.877 10.341 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.669 11.894 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.392 11.277 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.353 8.335 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.897 9.136 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.499 8.378 -7.348 1.00 0.00 H new ATOM 126 N GLU A 10 12.871 12.365 -6.770 1.00 0.00 N ATOM 127 CA GLU A 10 13.718 13.487 -6.321 1.00 0.00 C ATOM 128 C GLU A 10 13.610 14.681 -7.302 1.00 0.00 C ATOM 129 O GLU A 10 13.534 15.830 -6.855 1.00 0.00 O ATOM 130 CB GLU A 10 15.186 12.975 -6.142 1.00 0.00 C ATOM 131 CG GLU A 10 16.238 13.988 -5.600 1.00 0.00 C ATOM 132 CD GLU A 10 16.763 14.993 -6.648 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.344 14.547 -7.665 1.00 0.00 O ATOM 134 OE2 GLU A 10 16.573 16.219 -6.479 1.00 0.00 O ATOM 0 H GLU A 10 13.404 11.524 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 10 13.373 13.858 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.164 12.119 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.536 12.611 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.795 14.544 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.083 13.432 -5.194 1.00 0.00 H new ATOM 141 N SER A 11 13.580 14.397 -8.629 1.00 0.00 N ATOM 142 CA SER A 11 13.383 15.436 -9.668 1.00 0.00 C ATOM 143 C SER A 11 12.042 16.159 -9.456 1.00 0.00 C ATOM 144 O SER A 11 11.962 17.391 -9.534 1.00 0.00 O ATOM 145 CB SER A 11 13.402 14.816 -11.091 1.00 0.00 C ATOM 146 OG SER A 11 14.601 14.111 -11.337 1.00 0.00 O ATOM 0 H SER A 11 13.690 13.455 -9.003 1.00 0.00 H new ATOM 0 HA SER A 11 14.204 16.148 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.553 14.142 -11.206 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.285 15.605 -11.834 1.00 0.00 H new ATOM 0 HG SER A 11 14.578 13.732 -12.241 1.00 0.00 H new ATOM 152 N TYR A 12 11.000 15.352 -9.176 1.00 0.00 N ATOM 153 CA TYR A 12 9.637 15.841 -8.949 1.00 0.00 C ATOM 154 C TYR A 12 9.539 16.573 -7.602 1.00 0.00 C ATOM 155 O TYR A 12 8.797 17.538 -7.474 1.00 0.00 O ATOM 156 CB TYR A 12 8.622 14.674 -9.026 1.00 0.00 C ATOM 157 CG TYR A 12 8.612 13.945 -10.388 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.542 14.659 -11.594 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.656 12.550 -10.471 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.533 14.009 -12.815 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.643 11.902 -11.691 1.00 0.00 C ATOM 162 CZ TYR A 12 8.573 12.633 -12.858 1.00 0.00 C ATOM 163 OH TYR A 12 8.558 11.981 -14.074 1.00 0.00 O ATOM 0 H TYR A 12 11.087 14.338 -9.102 1.00 0.00 H new ATOM 0 HA TYR A 12 9.391 16.555 -9.735 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.851 13.954 -8.241 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.623 15.060 -8.824 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.494 15.738 -11.568 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.701 11.967 -9.563 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.495 14.579 -13.732 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.688 10.824 -11.731 1.00 0.00 H new ATOM 0 HH TYR A 12 8.592 11.013 -13.926 1.00 0.00 H new ATOM 173 N GLU A 13 10.333 16.121 -6.623 1.00 0.00 N ATOM 174 CA GLU A 13 10.372 16.680 -5.274 1.00 0.00 C ATOM 175 C GLU A 13 10.838 18.145 -5.344 1.00 0.00 C ATOM 176 O GLU A 13 10.106 19.051 -4.947 1.00 0.00 O ATOM 177 CB GLU A 13 11.332 15.798 -4.403 1.00 0.00 C ATOM 178 CG GLU A 13 11.004 15.712 -2.902 1.00 0.00 C ATOM 179 CD GLU A 13 11.243 17.013 -2.109 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.368 17.553 -2.171 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.331 17.470 -1.385 1.00 0.00 O ATOM 0 H GLU A 13 10.977 15.341 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 13 9.384 16.673 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.333 14.787 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.345 16.186 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.959 15.422 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.605 14.918 -2.459 1.00 0.00 H new ATOM 188 N LYS A 14 12.036 18.348 -5.932 1.00 0.00 N ATOM 189 CA LYS A 14 12.698 19.662 -5.983 1.00 0.00 C ATOM 190 C LYS A 14 11.932 20.671 -6.856 1.00 0.00 C ATOM 191 O LYS A 14 11.852 21.843 -6.491 1.00 0.00 O ATOM 192 CB LYS A 14 14.163 19.551 -6.476 1.00 0.00 C ATOM 193 CG LYS A 14 14.343 19.027 -7.923 1.00 0.00 C ATOM 194 CD LYS A 14 15.736 19.350 -8.498 1.00 0.00 C ATOM 195 CE LYS A 14 15.982 20.870 -8.638 1.00 0.00 C ATOM 196 NZ LYS A 14 17.361 21.169 -9.099 1.00 0.00 N ATOM 0 H LYS A 14 12.568 17.604 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 14 12.701 20.033 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.627 20.534 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.707 18.892 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.189 17.948 -7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.578 19.467 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.501 18.920 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.841 18.877 -9.474 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.265 21.290 -9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.807 21.356 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.484 22.198 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.046 20.791 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.520 20.727 -10.027 1.00 0.00 H new ATOM 210 N ILE A 15 11.371 20.214 -8.008 1.00 0.00 N ATOM 211 CA ILE A 15 10.623 21.110 -8.923 1.00 0.00 C ATOM 212 C ILE A 15 9.374 21.666 -8.214 1.00 0.00 C ATOM 213 O ILE A 15 8.996 22.814 -8.419 1.00 0.00 O ATOM 214 CB ILE A 15 10.228 20.412 -10.294 1.00 0.00 C ATOM 215 CG1 ILE A 15 9.643 21.444 -11.323 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.241 19.248 -10.084 1.00 0.00 C ATOM 217 CD1 ILE A 15 9.289 20.861 -12.685 1.00 0.00 C ATOM 0 H ILE A 15 11.423 19.244 -8.319 1.00 0.00 H new ATOM 0 HA ILE A 15 11.291 21.932 -9.181 1.00 0.00 H new ATOM 0 HB ILE A 15 11.149 20.001 -10.709 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.749 21.896 -10.894 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.368 22.245 -11.464 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.998 18.799 -11.047 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.696 18.497 -9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.330 19.623 -9.618 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.893 21.649 -13.326 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.182 20.436 -13.142 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.538 20.081 -12.563 1.00 0.00 H new ATOM 229 N LEU A 16 8.766 20.838 -7.339 1.00 0.00 N ATOM 230 CA LEU A 16 7.622 21.249 -6.513 1.00 0.00 C ATOM 231 C LEU A 16 8.038 22.249 -5.412 1.00 0.00 C ATOM 232 O LEU A 16 7.258 23.128 -5.063 1.00 0.00 O ATOM 233 CB LEU A 16 6.944 20.000 -5.906 1.00 0.00 C ATOM 234 CG LEU A 16 6.212 19.061 -6.911 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.597 17.830 -6.203 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.158 19.833 -7.725 1.00 0.00 C ATOM 0 H LEU A 16 9.056 19.872 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 16 6.906 21.767 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.703 19.418 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.223 20.330 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 16 6.958 18.685 -7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.096 17.200 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.387 17.259 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.875 18.162 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.663 19.152 -8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.419 20.263 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.644 20.631 -8.286 1.00 0.00 H new ATOM 248 N ARG A 17 9.267 22.101 -4.876 1.00 0.00 N ATOM 249 CA ARG A 17 9.827 23.037 -3.866 1.00 0.00 C ATOM 250 C ARG A 17 9.994 24.445 -4.493 1.00 0.00 C ATOM 251 O ARG A 17 9.597 25.458 -3.905 1.00 0.00 O ATOM 252 CB ARG A 17 11.200 22.510 -3.344 1.00 0.00 C ATOM 253 CG ARG A 17 11.203 21.027 -2.847 1.00 0.00 C ATOM 254 CD ARG A 17 11.092 20.827 -1.325 1.00 0.00 C ATOM 255 NE ARG A 17 9.833 21.342 -0.742 1.00 0.00 N ATOM 256 CZ ARG A 17 9.136 20.732 0.237 1.00 0.00 C ATOM 257 NH1 ARG A 17 9.386 19.472 0.571 1.00 0.00 N ATOM 258 NH2 ARG A 17 8.135 21.364 0.822 1.00 0.00 N ATOM 0 H ARG A 17 9.898 21.339 -5.125 1.00 0.00 H new ATOM 0 HA ARG A 17 9.140 23.104 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.936 22.610 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.529 23.151 -2.526 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.375 20.503 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.122 20.551 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.176 19.764 -1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.934 21.322 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 17 9.467 22.221 -1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.115 18.950 0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.849 19.025 1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.891 22.311 0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.606 20.905 1.563 1.00 0.00 H new ATOM 272 N ASP A 18 10.567 24.471 -5.715 1.00 0.00 N ATOM 273 CA ASP A 18 10.741 25.699 -6.513 1.00 0.00 C ATOM 274 C ASP A 18 9.389 26.343 -6.834 1.00 0.00 C ATOM 275 O ASP A 18 9.184 27.534 -6.591 1.00 0.00 O ATOM 276 CB ASP A 18 11.508 25.389 -7.832 1.00 0.00 C ATOM 277 CG ASP A 18 13.009 25.154 -7.621 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.761 26.150 -7.515 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.455 23.990 -7.547 1.00 0.00 O ATOM 0 H ASP A 18 10.923 23.634 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 18 11.326 26.402 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.071 24.506 -8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.371 26.218 -8.527 1.00 0.00 H new ATOM 284 N ARG A 19 8.466 25.510 -7.346 1.00 0.00 N ATOM 285 CA ARG A 19 7.147 25.953 -7.822 1.00 0.00 C ATOM 286 C ARG A 19 6.276 26.485 -6.674 1.00 0.00 C ATOM 287 O ARG A 19 5.574 27.467 -6.860 1.00 0.00 O ATOM 288 CB ARG A 19 6.428 24.819 -8.632 1.00 0.00 C ATOM 289 CG ARG A 19 6.654 24.871 -10.170 1.00 0.00 C ATOM 290 CD ARG A 19 8.133 25.022 -10.568 1.00 0.00 C ATOM 291 NE ARG A 19 8.309 24.998 -12.030 1.00 0.00 N ATOM 292 CZ ARG A 19 9.120 25.803 -12.735 1.00 0.00 C ATOM 293 NH1 ARG A 19 9.763 26.809 -12.154 1.00 0.00 N ATOM 294 NH2 ARG A 19 9.251 25.614 -14.036 1.00 0.00 N ATOM 0 H ARG A 19 8.617 24.506 -7.441 1.00 0.00 H new ATOM 0 HA ARG A 19 7.305 26.788 -8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.772 23.853 -8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.357 24.874 -8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.256 23.961 -10.619 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.087 25.705 -10.585 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.523 25.959 -10.170 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.715 24.218 -10.118 1.00 0.00 H new ATOM 0 HE ARG A 19 7.767 24.310 -12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.645 26.981 -11.156 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.375 27.410 -12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.738 24.862 -14.496 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.865 26.220 -14.580 1.00 0.00 H new ATOM 308 N GLN A 20 6.355 25.867 -5.484 1.00 0.00 N ATOM 309 CA GLN A 20 5.521 26.273 -4.337 1.00 0.00 C ATOM 310 C GLN A 20 5.984 27.643 -3.793 1.00 0.00 C ATOM 311 O GLN A 20 5.160 28.484 -3.447 1.00 0.00 O ATOM 312 CB GLN A 20 5.518 25.186 -3.210 1.00 0.00 C ATOM 313 CG GLN A 20 6.743 25.191 -2.279 1.00 0.00 C ATOM 314 CD GLN A 20 6.795 24.082 -1.229 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.877 23.638 -0.848 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.646 23.635 -0.746 1.00 0.00 N ATOM 0 H GLN A 20 6.984 25.088 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 20 4.494 26.372 -4.687 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.622 25.320 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.443 24.204 -3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.641 25.124 -2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.779 26.152 -1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.765 24.024 -1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.642 22.902 -0.037 1.00 0.00 H new ATOM 325 N ARG A 21 7.319 27.851 -3.730 1.00 0.00 N ATOM 326 CA ARG A 21 7.912 29.065 -3.136 1.00 0.00 C ATOM 327 C ARG A 21 7.869 30.266 -4.092 1.00 0.00 C ATOM 328 O ARG A 21 7.783 31.407 -3.633 1.00 0.00 O ATOM 329 CB ARG A 21 9.335 28.768 -2.639 1.00 0.00 C ATOM 330 CG ARG A 21 9.362 27.651 -1.582 1.00 0.00 C ATOM 331 CD ARG A 21 10.767 27.325 -1.085 1.00 0.00 C ATOM 332 NE ARG A 21 10.785 26.103 -0.260 1.00 0.00 N ATOM 333 CZ ARG A 21 10.609 26.049 1.072 1.00 0.00 C ATOM 334 NH1 ARG A 21 10.458 27.150 1.785 1.00 0.00 N ATOM 335 NH2 ARG A 21 10.607 24.874 1.684 1.00 0.00 N ATOM 0 H ARG A 21 8.007 27.188 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 21 7.304 29.351 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.960 28.481 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.767 29.675 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.744 27.947 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.915 26.751 -2.003 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.434 27.198 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.150 28.163 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 21 10.945 25.219 -0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.474 28.061 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.326 27.090 2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.738 24.018 1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.474 24.825 2.694 1.00 0.00 H new ATOM 349 N GLU A 22 7.931 30.012 -5.424 1.00 0.00 N ATOM 350 CA GLU A 22 7.736 31.079 -6.433 1.00 0.00 C ATOM 351 C GLU A 22 6.268 31.552 -6.405 1.00 0.00 C ATOM 352 O GLU A 22 5.983 32.728 -6.650 1.00 0.00 O ATOM 353 CB GLU A 22 8.170 30.637 -7.861 1.00 0.00 C ATOM 354 CG GLU A 22 7.289 29.559 -8.508 1.00 0.00 C ATOM 355 CD GLU A 22 7.793 29.069 -9.882 1.00 0.00 C ATOM 356 OE1 GLU A 22 8.834 28.377 -9.927 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.141 29.353 -10.914 1.00 0.00 O ATOM 0 H GLU A 22 8.112 29.089 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 22 8.385 31.915 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.178 31.514 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.194 30.266 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.223 28.706 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.279 29.952 -8.623 1.00 0.00 H new ATOM 364 N LEU A 23 5.347 30.622 -6.065 1.00 0.00 N ATOM 365 CA LEU A 23 3.943 30.967 -5.793 1.00 0.00 C ATOM 366 C LEU A 23 3.843 31.808 -4.527 1.00 0.00 C ATOM 367 O LEU A 23 3.242 32.868 -4.565 1.00 0.00 O ATOM 368 CB LEU A 23 3.052 29.710 -5.655 1.00 0.00 C ATOM 369 CG LEU A 23 2.868 28.864 -6.940 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.109 27.565 -6.640 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.193 29.679 -8.062 1.00 0.00 C ATOM 0 H LEU A 23 5.556 29.628 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 23 3.580 31.541 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.477 29.071 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.068 30.023 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 23 3.858 28.587 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.994 26.990 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.668 26.977 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.125 27.803 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.080 29.054 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.212 30.015 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.810 30.544 -8.305 1.00 0.00 H new ATOM 383 N TYR A 24 4.461 31.320 -3.425 1.00 0.00 N ATOM 384 CA TYR A 24 4.418 31.973 -2.094 1.00 0.00 C ATOM 385 C TYR A 24 4.774 33.472 -2.176 1.00 0.00 C ATOM 386 O TYR A 24 4.015 34.300 -1.694 1.00 0.00 O ATOM 387 CB TYR A 24 5.347 31.238 -1.072 1.00 0.00 C ATOM 388 CG TYR A 24 4.693 30.059 -0.317 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.489 30.235 0.376 1.00 0.00 C ATOM 390 CD2 TYR A 24 5.301 28.798 -0.245 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.901 29.197 1.076 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.713 27.755 0.451 1.00 0.00 C ATOM 393 CZ TYR A 24 3.520 27.965 1.124 1.00 0.00 C ATOM 394 OH TYR A 24 2.929 26.930 1.821 1.00 0.00 O ATOM 0 H TYR A 24 5.006 30.458 -3.434 1.00 0.00 H new ATOM 0 HA TYR A 24 3.391 31.899 -1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.223 30.867 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.702 31.964 -0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.009 31.202 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.246 28.637 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.960 29.351 1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.182 26.782 0.469 1.00 0.00 H new ATOM 0 HH TYR A 24 3.491 26.129 1.757 1.00 0.00 H new ATOM 404 N ARG A 25 5.915 33.797 -2.812 1.00 0.00 N ATOM 405 CA ARG A 25 6.343 35.209 -3.016 1.00 0.00 C ATOM 406 C ARG A 25 5.353 35.969 -3.937 1.00 0.00 C ATOM 407 O ARG A 25 5.045 37.140 -3.690 1.00 0.00 O ATOM 408 CB ARG A 25 7.789 35.288 -3.598 1.00 0.00 C ATOM 409 CG ARG A 25 8.011 34.458 -4.887 1.00 0.00 C ATOM 410 CD ARG A 25 9.179 34.940 -5.765 1.00 0.00 C ATOM 411 NE ARG A 25 10.432 35.128 -5.019 1.00 0.00 N ATOM 412 CZ ARG A 25 11.391 34.206 -4.845 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.242 32.954 -5.260 1.00 0.00 N ATOM 414 NH2 ARG A 25 12.503 34.556 -4.235 1.00 0.00 N ATOM 0 H ARG A 25 6.562 33.108 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 25 6.342 35.689 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.026 36.331 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.492 34.948 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.187 33.419 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.096 34.479 -5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.345 34.217 -6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.903 35.882 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 25 10.586 36.043 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.380 32.670 -5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.989 32.276 -5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.624 35.513 -3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.244 33.870 -4.093 1.00 0.00 H new ATOM 428 N ARG A 26 4.846 35.267 -4.981 1.00 0.00 N ATOM 429 CA ARG A 26 3.924 35.843 -5.983 1.00 0.00 C ATOM 430 C ARG A 26 2.566 36.247 -5.367 1.00 0.00 C ATOM 431 O ARG A 26 1.954 37.229 -5.794 1.00 0.00 O ATOM 432 CB ARG A 26 3.723 34.826 -7.141 1.00 0.00 C ATOM 433 CG ARG A 26 2.765 35.269 -8.268 1.00 0.00 C ATOM 434 CD ARG A 26 2.744 34.275 -9.446 1.00 0.00 C ATOM 435 NE ARG A 26 1.956 34.794 -10.574 1.00 0.00 N ATOM 436 CZ ARG A 26 1.739 34.154 -11.734 1.00 0.00 C ATOM 437 NH1 ARG A 26 2.189 32.920 -11.943 1.00 0.00 N ATOM 438 NH2 ARG A 26 1.060 34.760 -12.687 1.00 0.00 N ATOM 0 H ARG A 26 5.067 34.286 -5.149 1.00 0.00 H new ATOM 0 HA ARG A 26 4.374 36.757 -6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.696 34.610 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.350 33.893 -6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.757 35.372 -7.865 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.065 36.252 -8.631 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.764 34.076 -9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.325 33.325 -9.115 1.00 0.00 H new ATOM 0 HE ARG A 26 1.539 35.719 -10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.713 32.438 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.010 32.456 -12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.706 35.705 -12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.889 34.284 -13.573 1.00 0.00 H new ATOM 452 N LEU A 27 2.097 35.493 -4.355 1.00 0.00 N ATOM 453 CA LEU A 27 0.768 35.718 -3.747 1.00 0.00 C ATOM 454 C LEU A 27 0.862 36.429 -2.388 1.00 0.00 C ATOM 455 O LEU A 27 -0.117 36.996 -1.925 1.00 0.00 O ATOM 456 CB LEU A 27 -0.047 34.391 -3.699 1.00 0.00 C ATOM 457 CG LEU A 27 0.605 33.137 -3.027 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.499 33.132 -1.487 1.00 0.00 C ATOM 459 CD2 LEU A 27 0.037 31.841 -3.631 1.00 0.00 C ATOM 0 H LEU A 27 2.618 34.721 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 27 0.214 36.405 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.983 34.596 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.303 34.122 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 27 1.671 33.192 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.973 32.233 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.000 34.012 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.551 33.147 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.503 30.981 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.041 31.807 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.246 31.816 -4.701 1.00 0.00 H new ATOM 471 N HIS A 28 2.064 36.434 -1.771 1.00 0.00 N ATOM 472 CA HIS A 28 2.362 37.305 -0.605 1.00 0.00 C ATOM 473 C HIS A 28 2.870 38.687 -1.095 1.00 0.00 C ATOM 474 O HIS A 28 3.437 39.440 -0.327 1.00 0.00 O ATOM 475 CB HIS A 28 3.388 36.638 0.363 1.00 0.00 C ATOM 476 CG HIS A 28 2.810 35.561 1.261 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.265 35.832 2.497 1.00 0.00 N ATOM 478 CD2 HIS A 28 2.731 34.214 1.120 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.871 34.716 3.064 1.00 0.00 C ATOM 480 NE2 HIS A 28 2.140 33.716 2.250 1.00 0.00 N ATOM 0 H HIS A 28 2.846 35.846 -2.059 1.00 0.00 H new ATOM 0 HA HIS A 28 1.441 37.450 -0.041 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.194 36.204 -0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.832 37.412 0.988 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.072 33.640 0.271 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.405 34.632 4.035 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.941 32.732 2.432 1.00 0.00 H new ATOM 932 N LEU A 58 -4.231 36.949 -1.642 1.00 0.00 N ATOM 933 CA LEU A 58 -3.183 36.082 -2.218 1.00 0.00 C ATOM 934 C LEU A 58 -3.194 36.005 -3.774 1.00 0.00 C ATOM 935 O LEU A 58 -2.532 36.808 -4.450 1.00 0.00 O ATOM 936 CB LEU A 58 -3.193 34.672 -1.563 1.00 0.00 C ATOM 937 CG LEU A 58 -3.014 34.608 -0.012 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.916 33.141 0.472 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.797 35.439 0.477 1.00 0.00 C ATOM 0 HA LEU A 58 -2.237 36.565 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.137 34.188 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.400 34.081 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.902 35.059 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.792 33.123 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.827 32.607 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.060 32.659 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.716 35.362 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.886 35.056 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.933 36.483 0.197 1.00 0.00 H new ATOM 951 N GLY A 59 -3.963 35.043 -4.308 1.00 0.00 N ATOM 952 CA GLY A 59 -3.966 34.714 -5.731 1.00 0.00 C ATOM 953 C GLY A 59 -4.515 33.315 -5.943 1.00 0.00 C ATOM 954 O GLY A 59 -3.782 32.351 -5.725 1.00 0.00 O ATOM 0 H GLY A 59 -4.602 34.471 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.571 35.437 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.954 34.780 -6.129 1.00 0.00 H new ATOM 958 N GLN A 60 -5.799 33.220 -6.371 1.00 0.00 N ATOM 959 CA GLN A 60 -6.583 31.958 -6.411 1.00 0.00 C ATOM 960 C GLN A 60 -5.824 30.788 -7.064 1.00 0.00 C ATOM 961 O GLN A 60 -5.689 29.732 -6.448 1.00 0.00 O ATOM 962 CB GLN A 60 -7.939 32.179 -7.138 1.00 0.00 C ATOM 963 CG GLN A 60 -8.887 33.172 -6.444 1.00 0.00 C ATOM 964 CD GLN A 60 -10.261 33.290 -7.112 1.00 0.00 C ATOM 965 OE1 GLN A 60 -11.207 32.582 -6.760 1.00 0.00 O ATOM 966 NE2 GLN A 60 -10.383 34.186 -8.073 1.00 0.00 N ATOM 0 H GLN A 60 -6.326 34.028 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.761 31.680 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.740 32.534 -8.149 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.446 31.219 -7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.023 32.865 -5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.417 34.155 -6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.582 34.757 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.278 34.307 -8.546 1.00 0.00 H new ATOM 975 N VAL A 61 -5.319 31.015 -8.295 1.00 0.00 N ATOM 976 CA VAL A 61 -4.576 30.002 -9.073 1.00 0.00 C ATOM 977 C VAL A 61 -3.356 29.510 -8.284 1.00 0.00 C ATOM 978 O VAL A 61 -3.135 28.314 -8.199 1.00 0.00 O ATOM 979 CB VAL A 61 -4.135 30.556 -10.487 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.325 29.508 -11.296 1.00 0.00 C ATOM 981 CG2 VAL A 61 -5.373 31.036 -11.288 1.00 0.00 C ATOM 0 H VAL A 61 -5.415 31.908 -8.778 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.248 29.161 -9.246 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.475 31.407 -10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.043 29.931 -12.260 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.426 29.236 -10.742 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.936 28.619 -11.455 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.054 31.415 -12.259 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.059 30.201 -11.432 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.877 31.830 -10.737 1.00 0.00 H new ATOM 991 N GLY A 62 -2.622 30.457 -7.668 1.00 0.00 N ATOM 992 CA GLY A 62 -1.429 30.147 -6.876 1.00 0.00 C ATOM 993 C GLY A 62 -1.737 29.387 -5.588 1.00 0.00 C ATOM 994 O GLY A 62 -0.940 28.561 -5.164 1.00 0.00 O ATOM 0 H GLY A 62 -2.843 31.452 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.743 29.556 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.916 31.076 -6.627 1.00 0.00 H new ATOM 998 N GLN A 63 -2.902 29.671 -4.976 1.00 0.00 N ATOM 999 CA GLN A 63 -3.343 29.027 -3.713 1.00 0.00 C ATOM 1000 C GLN A 63 -3.752 27.558 -3.965 1.00 0.00 C ATOM 1001 O GLN A 63 -3.392 26.659 -3.201 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.534 29.814 -3.103 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.224 31.254 -2.655 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.481 32.035 -2.232 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.137 32.685 -3.051 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -5.811 31.996 -0.951 1.00 0.00 N ATOM 0 H GLN A 63 -3.568 30.353 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.510 29.038 -3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.338 29.847 -3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.910 29.259 -2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.522 31.226 -1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.730 31.784 -3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.251 31.450 -0.296 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.626 32.512 -0.618 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.503 27.347 -5.064 1.00 0.00 N ATOM 1016 CA ASP A 64 -4.988 26.005 -5.482 1.00 0.00 C ATOM 1017 C ASP A 64 -3.810 25.156 -5.978 1.00 0.00 C ATOM 1018 O ASP A 64 -3.774 23.938 -5.775 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.057 26.097 -6.613 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.340 26.853 -6.223 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.965 26.505 -5.200 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -7.747 27.797 -6.944 1.00 0.00 O ATOM 0 H ASP A 64 -4.793 28.098 -5.690 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.451 25.542 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.610 26.588 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.326 25.087 -6.923 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.858 25.841 -6.644 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.643 25.225 -7.190 1.00 0.00 C ATOM 1029 C GLU A 65 -0.767 24.731 -6.034 1.00 0.00 C ATOM 1030 O GLU A 65 -0.311 23.597 -6.051 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.859 26.246 -8.073 1.00 0.00 C ATOM 1032 CG GLU A 65 -0.048 25.635 -9.234 1.00 0.00 C ATOM 1033 CD GLU A 65 -0.936 25.295 -10.445 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -1.649 24.268 -10.416 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -0.951 26.077 -11.421 1.00 0.00 O ATOM 0 H GLU A 65 -2.916 26.845 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.920 24.380 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.569 26.962 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.178 26.806 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.729 26.335 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.455 24.732 -8.889 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.578 25.621 -5.028 1.00 0.00 N ATOM 1043 CA LEU A 66 0.123 25.315 -3.759 1.00 0.00 C ATOM 1044 C LEU A 66 -0.446 24.052 -3.109 1.00 0.00 C ATOM 1045 O LEU A 66 0.298 23.179 -2.687 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.013 26.513 -2.754 1.00 0.00 C ATOM 1047 CG LEU A 66 1.118 27.587 -2.767 1.00 0.00 C ATOM 1048 CD1 LEU A 66 0.732 28.800 -1.898 1.00 0.00 C ATOM 1049 CD2 LEU A 66 2.445 26.969 -2.303 1.00 0.00 C ATOM 0 H LEU A 66 -0.913 26.583 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 66 1.175 25.152 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.959 27.016 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.078 26.103 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 66 1.248 27.942 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.536 29.536 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.183 29.249 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.569 28.474 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.225 27.730 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.332 26.584 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.721 26.154 -2.972 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.784 23.990 -3.048 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.508 22.897 -2.387 1.00 0.00 C ATOM 1063 C ARG A 67 -2.246 21.557 -3.107 1.00 0.00 C ATOM 1064 O ARG A 67 -2.098 20.523 -2.462 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.020 23.239 -2.324 1.00 0.00 C ATOM 1066 CG ARG A 67 -4.855 22.288 -1.440 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.318 22.734 -1.314 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.067 21.866 -0.398 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.369 21.971 -0.120 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.118 22.916 -0.679 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -8.919 21.122 0.730 1.00 0.00 N ATOM 0 H ARG A 67 -2.394 24.698 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.145 22.784 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.134 24.256 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.425 23.224 -3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.820 21.283 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.408 22.234 -0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.356 23.763 -0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.790 22.721 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.549 21.119 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.700 23.578 -1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.111 22.980 -0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.350 20.396 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.912 21.192 0.950 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.144 21.616 -4.450 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.851 20.446 -5.306 1.00 0.00 C ATOM 1087 C ALA A 68 -0.362 20.034 -5.212 1.00 0.00 C ATOM 1088 O ALA A 68 -0.034 18.843 -5.294 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.238 20.749 -6.765 1.00 0.00 C ATOM 0 H ALA A 68 -2.263 22.482 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.447 19.607 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.018 19.881 -7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.303 20.975 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.667 21.606 -7.122 1.00 0.00 H new ATOM 1095 N ILE A 69 0.525 21.043 -5.036 1.00 0.00 N ATOM 1096 CA ILE A 69 1.984 20.844 -4.928 1.00 0.00 C ATOM 1097 C ILE A 69 2.322 20.139 -3.613 1.00 0.00 C ATOM 1098 O ILE A 69 2.948 19.083 -3.612 1.00 0.00 O ATOM 1099 CB ILE A 69 2.756 22.223 -5.043 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.657 22.804 -6.492 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.230 22.092 -4.614 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.290 24.165 -6.688 1.00 0.00 C ATOM 0 H ILE A 69 0.243 22.021 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 69 2.309 20.213 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 69 2.272 22.919 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.126 22.101 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.605 22.868 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.724 23.059 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.279 21.758 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.732 21.365 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.167 24.477 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.807 24.889 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.352 24.110 -6.449 1.00 0.00 H new ATOM 1114 N ASP A 70 1.875 20.749 -2.509 1.00 0.00 N ATOM 1115 CA ASP A 70 2.068 20.245 -1.141 1.00 0.00 C ATOM 1116 C ASP A 70 1.304 18.935 -0.891 1.00 0.00 C ATOM 1117 O ASP A 70 1.650 18.194 0.030 1.00 0.00 O ATOM 1118 CB ASP A 70 1.659 21.336 -0.123 1.00 0.00 C ATOM 1119 CG ASP A 70 2.678 22.485 -0.057 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.611 23.423 -0.885 1.00 0.00 O ATOM 1121 OD2 ASP A 70 3.580 22.427 0.805 1.00 0.00 O ATOM 0 H ASP A 70 1.357 21.627 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 70 3.125 20.013 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.682 21.735 -0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.556 20.887 0.865 1.00 0.00 H new ATOM 1126 N ALA A 71 0.255 18.672 -1.704 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.433 17.365 -1.721 1.00 0.00 C ATOM 1128 C ALA A 71 0.537 16.272 -2.194 1.00 0.00 C ATOM 1129 O ALA A 71 0.691 15.226 -1.549 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.676 17.402 -2.633 1.00 0.00 C ATOM 0 H ALA A 71 -0.133 19.352 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.765 17.140 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.162 16.426 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.373 18.157 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.373 17.649 -3.651 1.00 0.00 H new ATOM 1136 N ALA A 72 1.198 16.561 -3.326 1.00 0.00 N ATOM 1137 CA ALA A 72 2.170 15.664 -3.958 1.00 0.00 C ATOM 1138 C ALA A 72 3.426 15.490 -3.077 1.00 0.00 C ATOM 1139 O ALA A 72 3.911 14.374 -2.927 1.00 0.00 O ATOM 1140 CB ALA A 72 2.519 16.194 -5.353 1.00 0.00 C ATOM 0 H ALA A 72 1.068 17.437 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 72 1.727 14.674 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.242 15.528 -5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.616 16.239 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.948 17.192 -5.266 1.00 0.00 H new ATOM 1146 N LEU A 73 3.902 16.604 -2.476 1.00 0.00 N ATOM 1147 CA LEU A 73 5.081 16.631 -1.570 1.00 0.00 C ATOM 1148 C LEU A 73 4.842 15.796 -0.300 1.00 0.00 C ATOM 1149 O LEU A 73 5.743 15.085 0.164 1.00 0.00 O ATOM 1150 CB LEU A 73 5.431 18.097 -1.184 1.00 0.00 C ATOM 1151 CG LEU A 73 6.066 18.958 -2.319 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.183 20.442 -1.909 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.444 18.386 -2.738 1.00 0.00 C ATOM 0 H LEU A 73 3.476 17.522 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 73 5.919 16.189 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.521 18.591 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.119 18.077 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 73 5.401 18.910 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.630 21.011 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.191 20.838 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.811 20.526 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.868 19.002 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.115 18.387 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.320 17.365 -3.099 1.00 0.00 H new ATOM 1165 N ALA A 74 3.617 15.910 0.252 1.00 0.00 N ATOM 1166 CA ALA A 74 3.156 15.104 1.402 1.00 0.00 C ATOM 1167 C ALA A 74 3.212 13.608 1.062 1.00 0.00 C ATOM 1168 O ALA A 74 3.617 12.788 1.883 1.00 0.00 O ATOM 1169 CB ALA A 74 1.725 15.508 1.801 1.00 0.00 C ATOM 0 H ALA A 74 2.916 16.567 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 74 3.819 15.294 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.400 14.905 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.708 16.562 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.052 15.343 0.959 1.00 0.00 H new ATOM 1175 N ARG A 75 2.818 13.291 -0.186 1.00 0.00 N ATOM 1176 CA ARG A 75 2.786 11.918 -0.712 1.00 0.00 C ATOM 1177 C ARG A 75 4.184 11.386 -1.070 1.00 0.00 C ATOM 1178 O ARG A 75 4.372 10.177 -1.113 1.00 0.00 O ATOM 1179 CB ARG A 75 1.823 11.848 -1.921 1.00 0.00 C ATOM 1180 CG ARG A 75 0.345 12.000 -1.522 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.617 12.035 -2.716 1.00 0.00 C ATOM 1182 NE ARG A 75 -2.024 12.050 -2.271 1.00 0.00 N ATOM 1183 CZ ARG A 75 -2.667 13.096 -1.715 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.051 14.243 -1.488 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -3.934 12.967 -1.375 1.00 0.00 N ATOM 0 H ARG A 75 2.510 13.990 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 75 2.415 11.265 0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.084 12.632 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.959 10.895 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.068 11.173 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.226 12.917 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.416 12.918 -3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.443 11.166 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.559 11.190 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.067 14.351 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.559 15.020 -1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.417 12.083 -1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.431 13.751 -0.953 1.00 0.00 H new ATOM 1199 N ILE A 76 5.158 12.275 -1.334 1.00 0.00 N ATOM 1200 CA ILE A 76 6.563 11.857 -1.553 1.00 0.00 C ATOM 1201 C ILE A 76 7.172 11.406 -0.211 1.00 0.00 C ATOM 1202 O ILE A 76 7.822 10.357 -0.127 1.00 0.00 O ATOM 1203 CB ILE A 76 7.439 13.001 -2.200 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.848 13.417 -3.587 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.921 12.552 -2.345 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.445 14.660 -4.215 1.00 0.00 C ATOM 0 H ILE A 76 5.005 13.281 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 76 6.561 11.028 -2.260 1.00 0.00 H new ATOM 0 HB ILE A 76 7.415 13.867 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.978 12.585 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.775 13.571 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.503 13.357 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.327 12.314 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.973 11.669 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.960 14.853 -5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.292 15.512 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.513 14.511 -4.373 1.00 0.00 H new ATOM 1218 N ALA A 77 6.904 12.206 0.836 1.00 0.00 N ATOM 1219 CA ALA A 77 7.333 11.919 2.216 1.00 0.00 C ATOM 1220 C ALA A 77 6.616 10.668 2.762 1.00 0.00 C ATOM 1221 O ALA A 77 7.191 9.904 3.537 1.00 0.00 O ATOM 1222 CB ALA A 77 7.076 13.144 3.116 1.00 0.00 C ATOM 0 H ALA A 77 6.380 13.076 0.747 1.00 0.00 H new ATOM 0 HA ALA A 77 8.403 11.713 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.397 12.921 4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.638 13.998 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.012 13.380 3.114 1.00 0.00 H new ATOM 1228 N SER A 78 5.356 10.468 2.323 1.00 0.00 N ATOM 1229 CA SER A 78 4.520 9.322 2.730 1.00 0.00 C ATOM 1230 C SER A 78 4.834 8.070 1.882 1.00 0.00 C ATOM 1231 O SER A 78 4.512 6.956 2.290 1.00 0.00 O ATOM 1232 CB SER A 78 3.029 9.704 2.608 1.00 0.00 C ATOM 1233 OG SER A 78 2.161 8.697 3.106 1.00 0.00 O ATOM 0 H SER A 78 4.889 11.100 1.673 1.00 0.00 H new ATOM 0 HA SER A 78 4.745 9.077 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.851 10.632 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.792 9.896 1.562 1.00 0.00 H new ATOM 0 HG SER A 78 1.231 8.989 3.007 1.00 0.00 H new ATOM 1239 N GLY A 79 5.460 8.271 0.704 1.00 0.00 N ATOM 1240 CA GLY A 79 5.829 7.174 -0.202 1.00 0.00 C ATOM 1241 C GLY A 79 4.697 6.741 -1.140 1.00 0.00 C ATOM 1242 O GLY A 79 4.812 5.719 -1.814 1.00 0.00 O ATOM 0 H GLY A 79 5.721 9.195 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.687 7.482 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.146 6.316 0.391 1.00 0.00 H new ATOM 1246 N THR A 80 3.605 7.523 -1.184 1.00 0.00 N ATOM 1247 CA THR A 80 2.429 7.252 -2.041 1.00 0.00 C ATOM 1248 C THR A 80 2.286 8.354 -3.133 1.00 0.00 C ATOM 1249 O THR A 80 1.175 8.692 -3.576 1.00 0.00 O ATOM 1250 CB THR A 80 1.133 7.129 -1.153 1.00 0.00 C ATOM 1251 OG1 THR A 80 -0.003 6.764 -1.965 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.827 8.421 -0.364 1.00 0.00 C ATOM 0 H THR A 80 3.509 8.369 -0.622 1.00 0.00 H new ATOM 0 HA THR A 80 2.569 6.302 -2.557 1.00 0.00 H new ATOM 0 HB THR A 80 1.326 6.343 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.080 7.386 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.076 8.279 0.230 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.663 8.651 0.296 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.677 9.246 -1.061 1.00 0.00 H new ATOM 1260 N PHE A 81 3.436 8.924 -3.567 1.00 0.00 N ATOM 1261 CA PHE A 81 3.485 9.846 -4.721 1.00 0.00 C ATOM 1262 C PHE A 81 3.157 9.091 -6.028 1.00 0.00 C ATOM 1263 O PHE A 81 3.505 7.912 -6.174 1.00 0.00 O ATOM 1264 CB PHE A 81 4.877 10.519 -4.825 1.00 0.00 C ATOM 1265 CG PHE A 81 5.029 11.480 -6.021 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.323 12.688 -6.058 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.851 11.168 -7.106 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.445 13.548 -7.134 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.966 12.030 -8.180 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.264 13.220 -8.193 1.00 0.00 C ATOM 0 H PHE A 81 4.343 8.759 -3.132 1.00 0.00 H new ATOM 0 HA PHE A 81 2.737 10.624 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.071 11.070 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.638 9.743 -4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.675 12.952 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.404 10.241 -7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.897 14.479 -7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.606 11.773 -9.011 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.357 13.893 -9.033 1.00 0.00 H new ATOM 1280 N GLY A 82 2.514 9.799 -6.974 1.00 0.00 N ATOM 1281 CA GLY A 82 2.097 9.214 -8.240 1.00 0.00 C ATOM 1282 C GLY A 82 0.888 8.314 -8.074 1.00 0.00 C ATOM 1283 O GLY A 82 0.832 7.227 -8.638 1.00 0.00 O ATOM 0 H GLY A 82 2.275 10.786 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.864 10.009 -8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.921 8.641 -8.664 1.00 0.00 H new ATOM 1287 N THR A 83 -0.096 8.793 -7.308 1.00 0.00 N ATOM 1288 CA THR A 83 -1.349 8.069 -7.041 1.00 0.00 C ATOM 1289 C THR A 83 -2.561 8.920 -7.466 1.00 0.00 C ATOM 1290 O THR A 83 -2.708 10.069 -7.030 1.00 0.00 O ATOM 1291 CB THR A 83 -1.452 7.690 -5.526 1.00 0.00 C ATOM 1292 OG1 THR A 83 -0.321 6.876 -5.162 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.757 6.939 -5.187 1.00 0.00 C ATOM 0 H THR A 83 -0.048 9.703 -6.850 1.00 0.00 H new ATOM 0 HA THR A 83 -1.348 7.150 -7.626 1.00 0.00 H new ATOM 0 HB THR A 83 -1.458 8.620 -4.957 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.328 7.420 -4.668 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.774 6.701 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.613 7.568 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.807 6.017 -5.766 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.399 8.356 -8.366 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.698 8.937 -8.737 1.00 0.00 C ATOM 1303 C CYS A 84 -5.636 8.784 -7.537 1.00 0.00 C ATOM 1304 O CYS A 84 -6.307 7.762 -7.406 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.276 8.240 -10.005 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.723 9.082 -10.745 1.00 0.00 S ATOM 0 H CYS A 84 -3.188 7.485 -8.852 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.586 9.992 -8.986 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.489 8.171 -10.756 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.559 7.220 -9.745 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.802 8.728 -10.112 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.628 9.798 -6.649 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.288 9.738 -5.318 1.00 0.00 C ATOM 1313 C VAL A 85 -7.817 9.580 -5.430 1.00 0.00 C ATOM 1314 O VAL A 85 -8.451 8.948 -4.581 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.920 11.005 -4.448 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.386 11.167 -4.352 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.579 12.303 -4.987 1.00 0.00 C ATOM 0 H VAL A 85 -5.163 10.688 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.909 8.848 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.321 10.838 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.150 12.044 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.955 10.280 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.970 11.291 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.295 13.145 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.242 12.486 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.663 12.192 -4.978 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.378 10.129 -6.518 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.825 10.085 -6.819 1.00 0.00 C ATOM 1329 C LYS A 86 -10.278 8.646 -7.176 1.00 0.00 C ATOM 1330 O LYS A 86 -11.463 8.303 -7.081 1.00 0.00 O ATOM 1331 CB LYS A 86 -10.096 11.063 -7.994 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.578 11.427 -8.219 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.767 12.419 -9.392 1.00 0.00 C ATOM 1334 CE LYS A 86 -13.171 13.040 -9.436 1.00 0.00 C ATOM 1335 NZ LYS A 86 -14.241 12.027 -9.618 1.00 0.00 N ATOM 0 H LYS A 86 -7.835 10.624 -7.226 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.398 10.386 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.536 11.981 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.704 10.622 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.147 10.519 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.985 11.864 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.027 13.215 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.576 11.901 -10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.350 13.589 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.219 13.763 -10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.167 12.500 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.090 11.519 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.217 11.351 -8.828 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.295 7.817 -7.565 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.518 6.458 -8.075 1.00 0.00 C ATOM 1351 C CYS A 87 -8.822 5.399 -7.184 1.00 0.00 C ATOM 1352 O CYS A 87 -9.130 4.212 -7.279 1.00 0.00 O ATOM 1353 CB CYS A 87 -8.937 6.386 -9.501 1.00 0.00 C ATOM 1354 SG CYS A 87 -9.312 7.820 -10.541 1.00 0.00 S ATOM 0 H CYS A 87 -8.309 8.078 -7.533 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.587 6.245 -8.072 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.855 6.276 -9.433 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.318 5.490 -9.990 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.206 8.316 -11.011 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.874 5.848 -6.333 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.954 4.950 -5.612 1.00 0.00 C ATOM 1361 C GLY A 88 -5.993 4.197 -6.549 1.00 0.00 C ATOM 1362 O GLY A 88 -5.451 3.149 -6.184 1.00 0.00 O ATOM 0 H GLY A 88 -7.728 6.837 -6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.373 5.532 -4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.535 4.227 -5.039 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.789 4.745 -7.762 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.993 4.117 -8.848 1.00 0.00 C ATOM 1368 C LYS A 89 -3.618 4.792 -8.984 1.00 0.00 C ATOM 1369 O LYS A 89 -3.222 5.581 -8.131 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.800 4.201 -10.186 1.00 0.00 C ATOM 1371 CG LYS A 89 -7.001 3.225 -10.282 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.571 1.742 -10.406 1.00 0.00 C ATOM 1373 CE LYS A 89 -5.841 1.444 -11.729 1.00 0.00 C ATOM 1374 NZ LYS A 89 -5.387 0.032 -11.817 1.00 0.00 N ATOM 0 H LYS A 89 -6.177 5.651 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.813 3.070 -8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.167 5.220 -10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.122 4.004 -11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.628 3.342 -9.398 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.611 3.493 -11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.920 1.486 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.452 1.105 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.505 1.662 -12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.981 2.107 -11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.902 -0.121 -12.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.732 -0.171 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.209 -0.602 -11.753 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.894 4.446 -10.062 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.563 4.997 -10.383 1.00 0.00 C ATOM 1390 C ARG A 90 -1.697 6.242 -11.299 1.00 0.00 C ATOM 1391 O ARG A 90 -2.716 6.413 -11.983 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.723 3.875 -11.075 1.00 0.00 C ATOM 1393 CG ARG A 90 0.776 4.189 -11.314 1.00 0.00 C ATOM 1394 CD ARG A 90 1.550 4.475 -10.017 1.00 0.00 C ATOM 1395 NE ARG A 90 1.411 3.392 -9.023 1.00 0.00 N ATOM 1396 CZ ARG A 90 1.365 3.563 -7.686 1.00 0.00 C ATOM 1397 NH1 ARG A 90 1.363 4.780 -7.143 1.00 0.00 N ATOM 1398 NH2 ARG A 90 1.299 2.504 -6.898 1.00 0.00 N ATOM 0 H ARG A 90 -3.221 3.765 -10.747 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.059 5.320 -9.472 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.791 2.973 -10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.183 3.647 -12.037 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.239 3.347 -11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.859 5.051 -11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.605 4.615 -10.251 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.193 5.409 -9.584 1.00 0.00 H new ATOM 0 HE ARG A 90 1.344 2.437 -9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.397 5.605 -7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.328 4.886 -6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.283 1.568 -7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.264 2.623 -5.886 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.687 7.135 -11.254 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.523 8.238 -12.236 1.00 0.00 C ATOM 1414 C ILE A 91 0.504 7.808 -13.309 1.00 0.00 C ATOM 1415 O ILE A 91 1.434 7.044 -13.016 1.00 0.00 O ATOM 1416 CB ILE A 91 -0.030 9.583 -11.550 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.987 10.039 -10.415 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.125 10.724 -12.575 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.354 10.476 -10.873 1.00 0.00 C ATOM 0 H ILE A 91 0.040 7.116 -10.538 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.497 8.434 -12.685 1.00 0.00 H new ATOM 0 HB ILE A 91 0.946 9.362 -11.118 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.103 9.219 -9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.520 10.863 -9.876 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.464 11.627 -12.066 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.856 10.437 -13.331 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.835 10.916 -13.054 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.948 10.776 -10.010 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.256 11.319 -11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.848 9.650 -11.384 1.00 0.00 H new ATOM 1431 N SER A 92 0.328 8.320 -14.537 1.00 0.00 N ATOM 1432 CA SER A 92 1.262 8.107 -15.656 1.00 0.00 C ATOM 1433 C SER A 92 2.532 8.952 -15.435 1.00 0.00 C ATOM 1434 O SER A 92 2.438 10.057 -14.894 1.00 0.00 O ATOM 1435 CB SER A 92 0.574 8.518 -16.983 1.00 0.00 C ATOM 1436 OG SER A 92 -0.695 7.901 -17.107 1.00 0.00 O ATOM 0 H SER A 92 -0.474 8.899 -14.784 1.00 0.00 H new ATOM 0 HA SER A 92 1.541 7.055 -15.708 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.461 9.602 -17.018 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.204 8.236 -17.827 1.00 0.00 H new ATOM 0 HG SER A 92 -1.111 8.176 -17.950 1.00 0.00 H new ATOM 1442 N GLU A 93 3.709 8.439 -15.852 1.00 0.00 N ATOM 1443 CA GLU A 93 4.971 9.213 -15.796 1.00 0.00 C ATOM 1444 C GLU A 93 4.868 10.459 -16.703 1.00 0.00 C ATOM 1445 O GLU A 93 5.470 11.492 -16.417 1.00 0.00 O ATOM 1446 CB GLU A 93 6.193 8.341 -16.209 1.00 0.00 C ATOM 1447 CG GLU A 93 7.566 9.037 -16.015 1.00 0.00 C ATOM 1448 CD GLU A 93 8.758 8.243 -16.588 1.00 0.00 C ATOM 1449 OE1 GLU A 93 9.049 7.138 -16.086 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.401 8.721 -17.550 1.00 0.00 O ATOM 0 H GLU A 93 3.813 7.497 -16.230 1.00 0.00 H new ATOM 0 HA GLU A 93 5.126 9.532 -14.765 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.180 7.419 -15.628 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.086 8.059 -17.256 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.535 10.018 -16.489 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.731 9.202 -14.950 1.00 0.00 H new ATOM 1457 N ASP A 94 4.078 10.325 -17.794 1.00 0.00 N ATOM 1458 CA ASP A 94 3.767 11.423 -18.740 1.00 0.00 C ATOM 1459 C ASP A 94 3.013 12.560 -18.044 1.00 0.00 C ATOM 1460 O ASP A 94 3.290 13.742 -18.276 1.00 0.00 O ATOM 1461 CB ASP A 94 2.938 10.899 -19.939 1.00 0.00 C ATOM 1462 CG ASP A 94 3.683 9.824 -20.736 1.00 0.00 C ATOM 1463 OD1 ASP A 94 4.519 10.178 -21.591 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.469 8.619 -20.481 1.00 0.00 O ATOM 0 H ASP A 94 3.634 9.442 -18.045 1.00 0.00 H new ATOM 0 HA ASP A 94 4.715 11.813 -19.109 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.995 10.490 -19.575 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.691 11.731 -20.598 1.00 0.00 H new ATOM 1469 N ARG A 95 2.059 12.173 -17.185 1.00 0.00 N ATOM 1470 CA ARG A 95 1.282 13.116 -16.377 1.00 0.00 C ATOM 1471 C ARG A 95 2.181 13.770 -15.320 1.00 0.00 C ATOM 1472 O ARG A 95 2.080 14.963 -15.096 1.00 0.00 O ATOM 1473 CB ARG A 95 0.082 12.394 -15.706 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.827 13.312 -14.848 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.749 14.216 -15.683 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.459 15.187 -14.833 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.423 16.025 -15.237 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.871 16.013 -16.489 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -3.938 16.884 -14.373 1.00 0.00 N ATOM 0 H ARG A 95 1.806 11.197 -17.033 1.00 0.00 H new ATOM 0 HA ARG A 95 0.889 13.896 -17.028 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.525 11.928 -16.482 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.464 11.592 -15.075 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.437 12.693 -14.190 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.201 13.936 -14.210 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.161 14.747 -16.432 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.472 13.603 -16.221 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.193 15.225 -13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.480 15.356 -17.164 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.606 16.660 -16.774 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.601 16.904 -13.411 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.672 17.527 -14.669 1.00 0.00 H new ATOM 1493 N LEU A 96 3.078 12.972 -14.703 1.00 0.00 N ATOM 1494 CA LEU A 96 3.972 13.444 -13.618 1.00 0.00 C ATOM 1495 C LEU A 96 5.077 14.385 -14.135 1.00 0.00 C ATOM 1496 O LEU A 96 5.514 15.274 -13.412 1.00 0.00 O ATOM 1497 CB LEU A 96 4.605 12.245 -12.862 1.00 0.00 C ATOM 1498 CG LEU A 96 3.614 11.388 -12.017 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.296 10.139 -11.422 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.935 12.234 -10.908 1.00 0.00 C ATOM 0 H LEU A 96 3.205 11.988 -14.939 1.00 0.00 H new ATOM 0 HA LEU A 96 3.351 14.015 -12.928 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.092 11.595 -13.589 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.385 12.625 -12.202 1.00 0.00 H new ATOM 0 HG LEU A 96 2.835 11.041 -12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.570 9.570 -10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.683 9.516 -12.229 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.118 10.446 -10.775 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.251 11.605 -10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.697 12.638 -10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.380 13.054 -11.364 1.00 0.00 H new ATOM 1512 N LYS A 97 5.538 14.165 -15.376 1.00 0.00 N ATOM 1513 CA LYS A 97 6.605 14.991 -15.984 1.00 0.00 C ATOM 1514 C LYS A 97 6.020 16.331 -16.472 1.00 0.00 C ATOM 1515 O LYS A 97 6.705 17.358 -16.456 1.00 0.00 O ATOM 1516 CB LYS A 97 7.328 14.233 -17.138 1.00 0.00 C ATOM 1517 CG LYS A 97 6.518 14.082 -18.447 1.00 0.00 C ATOM 1518 CD LYS A 97 7.234 13.253 -19.547 1.00 0.00 C ATOM 1519 CE LYS A 97 7.401 11.754 -19.207 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.371 11.496 -18.111 1.00 0.00 N ATOM 0 H LYS A 97 5.191 13.422 -15.983 1.00 0.00 H new ATOM 0 HA LYS A 97 7.356 15.198 -15.222 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.258 14.755 -17.365 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.599 13.239 -16.782 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.562 13.611 -18.217 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.298 15.074 -18.841 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.672 13.342 -20.476 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.219 13.684 -19.728 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.431 11.344 -18.926 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.726 11.221 -20.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.767 10.540 -18.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.139 12.196 -18.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.886 11.571 -17.194 1.00 0.00 H new ATOM 1534 N ALA A 98 4.741 16.291 -16.905 1.00 0.00 N ATOM 1535 CA ALA A 98 3.982 17.476 -17.345 1.00 0.00 C ATOM 1536 C ALA A 98 3.543 18.321 -16.137 1.00 0.00 C ATOM 1537 O ALA A 98 3.612 19.554 -16.155 1.00 0.00 O ATOM 1538 CB ALA A 98 2.756 17.023 -18.159 1.00 0.00 C ATOM 0 H ALA A 98 4.204 15.426 -16.958 1.00 0.00 H new ATOM 0 HA ALA A 98 4.623 18.096 -17.972 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.193 17.897 -18.486 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.086 16.458 -19.030 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.120 16.393 -17.538 1.00 0.00 H new ATOM 1544 N VAL A 99 3.105 17.616 -15.090 1.00 0.00 N ATOM 1545 CA VAL A 99 2.565 18.194 -13.857 1.00 0.00 C ATOM 1546 C VAL A 99 2.797 17.192 -12.690 1.00 0.00 C ATOM 1547 O VAL A 99 2.080 16.206 -12.573 1.00 0.00 O ATOM 1548 CB VAL A 99 1.031 18.587 -14.019 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.184 17.453 -14.648 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.421 19.054 -12.678 1.00 0.00 C ATOM 0 H VAL A 99 3.117 16.596 -15.077 1.00 0.00 H new ATOM 0 HA VAL A 99 3.088 19.123 -13.630 1.00 0.00 H new ATOM 0 HB VAL A 99 1.004 19.425 -14.716 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.853 17.778 -14.734 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.573 17.215 -15.638 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.235 16.567 -14.015 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.627 19.314 -12.826 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.495 18.251 -11.945 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.964 19.927 -12.316 1.00 0.00 H new ATOM 1560 N PRO A 100 3.867 17.375 -11.852 1.00 0.00 N ATOM 1561 CA PRO A 100 4.084 16.543 -10.632 1.00 0.00 C ATOM 1562 C PRO A 100 3.028 16.817 -9.542 1.00 0.00 C ATOM 1563 O PRO A 100 2.739 15.959 -8.702 1.00 0.00 O ATOM 1564 CB PRO A 100 5.514 16.944 -10.152 1.00 0.00 C ATOM 1565 CG PRO A 100 6.119 17.711 -11.296 1.00 0.00 C ATOM 1566 CD PRO A 100 4.965 18.350 -12.042 1.00 0.00 C ATOM 0 HA PRO A 100 3.992 15.478 -10.843 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.469 17.554 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.109 16.063 -9.911 1.00 0.00 H new ATOM 0 HG2 PRO A 100 6.813 18.469 -10.932 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.685 17.049 -11.951 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.712 19.328 -11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.197 18.496 -13.097 1.00 0.00 H new ATOM 1574 N TYR A 101 2.453 18.030 -9.596 1.00 0.00 N ATOM 1575 CA TYR A 101 1.441 18.520 -8.645 1.00 0.00 C ATOM 1576 C TYR A 101 0.034 18.151 -9.139 1.00 0.00 C ATOM 1577 O TYR A 101 -0.832 19.014 -9.355 1.00 0.00 O ATOM 1578 CB TYR A 101 1.604 20.060 -8.419 1.00 0.00 C ATOM 1579 CG TYR A 101 1.775 20.952 -9.682 1.00 0.00 C ATOM 1580 CD1 TYR A 101 3.012 21.065 -10.336 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.708 21.680 -10.214 1.00 0.00 C ATOM 1582 CE1 TYR A 101 3.169 21.856 -11.456 1.00 0.00 C ATOM 1583 CE2 TYR A 101 0.869 22.470 -11.338 1.00 0.00 C ATOM 1584 CZ TYR A 101 2.097 22.552 -11.955 1.00 0.00 C ATOM 1585 OH TYR A 101 2.244 23.335 -13.081 1.00 0.00 O ATOM 0 H TYR A 101 2.684 18.712 -10.318 1.00 0.00 H new ATOM 0 HA TYR A 101 1.587 18.037 -7.679 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.731 20.415 -7.871 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.470 20.217 -7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.862 20.519 -9.953 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.260 21.625 -9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.133 21.927 -11.938 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.030 23.024 -11.732 1.00 0.00 H new ATOM 0 HH TYR A 101 1.387 23.757 -13.300 1.00 0.00 H new ATOM 1595 N THR A 102 -0.190 16.844 -9.314 1.00 0.00 N ATOM 1596 CA THR A 102 -1.434 16.317 -9.876 1.00 0.00 C ATOM 1597 C THR A 102 -2.090 15.295 -8.899 1.00 0.00 C ATOM 1598 O THR A 102 -1.590 14.175 -8.717 1.00 0.00 O ATOM 1599 CB THR A 102 -1.166 15.716 -11.305 1.00 0.00 C ATOM 1600 OG1 THR A 102 -2.387 15.295 -11.902 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.156 14.549 -11.311 1.00 0.00 C ATOM 0 H THR A 102 0.488 16.123 -9.069 1.00 0.00 H new ATOM 0 HA THR A 102 -2.152 17.128 -9.999 1.00 0.00 H new ATOM 0 HB THR A 102 -0.717 16.521 -11.887 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.647 14.424 -11.535 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.023 14.188 -12.331 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.801 14.894 -10.921 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.532 13.739 -10.685 1.00 0.00 H new ATOM 1609 N PRO A 103 -3.188 15.704 -8.173 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.965 14.776 -7.310 1.00 0.00 C ATOM 1611 C PRO A 103 -4.715 13.708 -8.142 1.00 0.00 C ATOM 1612 O PRO A 103 -4.824 12.538 -7.744 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.941 15.721 -6.546 1.00 0.00 C ATOM 1614 CG PRO A 103 -5.059 16.943 -7.413 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.715 17.103 -8.096 1.00 0.00 C ATOM 0 HA PRO A 103 -3.334 14.196 -6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.912 15.248 -6.396 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.554 15.974 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.857 16.826 -8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.301 17.823 -6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.819 17.547 -9.086 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.050 17.751 -7.525 1.00 0.00 H new ATOM 1623 N PHE A 104 -5.213 14.125 -9.318 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.980 13.252 -10.230 1.00 0.00 C ATOM 1625 C PHE A 104 -5.049 12.758 -11.344 1.00 0.00 C ATOM 1626 O PHE A 104 -3.895 13.157 -11.416 1.00 0.00 O ATOM 1627 CB PHE A 104 -7.205 14.014 -10.831 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.942 14.884 -9.812 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.589 14.309 -8.723 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.950 16.278 -9.920 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -9.234 15.087 -7.788 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.593 17.058 -8.978 1.00 0.00 C ATOM 1633 CZ PHE A 104 -9.232 16.461 -7.910 1.00 0.00 C ATOM 0 H PHE A 104 -5.097 15.077 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.366 12.398 -9.673 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.864 14.642 -11.654 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.903 13.290 -11.251 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.585 13.235 -8.609 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.447 16.751 -10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.743 14.621 -6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.596 18.133 -9.077 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.730 17.070 -7.170 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.550 11.874 -12.193 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.809 11.363 -13.365 1.00 0.00 C ATOM 1645 C CYS A 105 -5.249 12.135 -14.621 1.00 0.00 C ATOM 1646 O CYS A 105 -6.121 12.992 -14.522 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.127 9.876 -13.490 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.902 9.611 -13.638 1.00 0.00 S ATOM 0 H CYS A 105 -6.486 11.481 -12.099 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.734 11.500 -13.251 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.619 9.463 -14.362 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.747 9.344 -12.618 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.373 9.181 -12.505 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.658 11.812 -15.791 1.00 0.00 N ATOM 1654 CA GLN A 106 -4.969 12.476 -17.084 1.00 0.00 C ATOM 1655 C GLN A 106 -6.486 12.430 -17.404 1.00 0.00 C ATOM 1656 O GLN A 106 -7.141 13.472 -17.550 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.159 11.792 -18.227 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.505 12.288 -19.648 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.737 11.560 -20.757 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.186 10.532 -21.268 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -2.594 12.094 -21.152 1.00 0.00 N ATOM 0 H GLN A 106 -3.950 11.082 -15.870 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.683 13.525 -17.004 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.096 11.955 -18.049 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.329 10.716 -18.181 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.575 12.164 -19.817 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.294 13.355 -19.712 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.249 12.946 -20.709 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.057 11.654 -21.900 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.024 11.202 -17.440 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.423 10.933 -17.802 1.00 0.00 C ATOM 1672 C GLU A 107 -9.404 11.440 -16.726 1.00 0.00 C ATOM 1673 O GLU A 107 -10.445 11.990 -17.065 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.671 9.417 -18.091 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.332 8.421 -16.943 1.00 0.00 C ATOM 1676 CD GLU A 107 -6.864 7.927 -16.933 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -5.977 8.642 -16.416 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.594 6.822 -17.453 1.00 0.00 O ATOM 0 H GLU A 107 -6.495 10.359 -17.216 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.613 11.487 -18.721 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.721 9.288 -18.354 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.086 9.138 -18.967 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.547 8.900 -15.988 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.992 7.557 -17.022 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.054 11.273 -15.436 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.952 11.642 -14.307 1.00 0.00 C ATOM 1687 C CYS A 108 -9.946 13.159 -14.033 1.00 0.00 C ATOM 1688 O CYS A 108 -10.887 13.678 -13.429 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.583 10.858 -13.040 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.722 9.055 -13.247 1.00 0.00 S ATOM 0 H CYS A 108 -8.157 10.886 -15.142 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.966 11.372 -14.600 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.562 11.106 -12.751 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.231 11.175 -12.223 1.00 0.00 H new ATOM 0 HG CYS A 108 -9.549 8.472 -12.098 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.878 13.856 -14.470 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.813 15.333 -14.444 1.00 0.00 C ATOM 1697 C ALA A 109 -9.667 15.901 -15.589 1.00 0.00 C ATOM 1698 O ALA A 109 -10.281 16.964 -15.458 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.358 15.823 -14.535 1.00 0.00 C ATOM 0 H ALA A 109 -8.040 13.415 -14.849 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.213 15.692 -13.496 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.339 16.913 -14.514 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.789 15.434 -13.690 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.913 15.470 -15.465 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.706 15.153 -16.707 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.593 15.441 -17.846 1.00 0.00 C ATOM 1707 C ALA A 110 -12.058 15.070 -17.505 1.00 0.00 C ATOM 1708 O ALA A 110 -12.999 15.607 -18.100 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.109 14.686 -19.098 1.00 0.00 C ATOM 0 H ALA A 110 -9.121 14.329 -16.845 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.560 16.510 -18.055 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.772 14.906 -19.935 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.096 15.003 -19.345 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.116 13.614 -18.902 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.229 14.154 -16.527 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.540 13.621 -16.107 1.00 0.00 C ATOM 1717 C ALA A 111 -14.031 14.261 -14.792 1.00 0.00 C ATOM 1718 O ALA A 111 -14.913 13.699 -14.130 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.437 12.088 -15.970 1.00 0.00 C ATOM 0 H ALA A 111 -11.449 13.760 -16.001 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.278 13.874 -16.868 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.401 11.685 -15.660 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.154 11.655 -16.930 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.683 11.839 -15.224 1.00 0.00 H new