USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 57 GLN : amide:sc= -0.833 X(o=-1.5,f=-1.1) USER MOD Set 1.2: A 62 CYS SG : rot -110:sc= -0.71 USER MOD Set 2.1: A 30 CYS SG : rot -150:sc= -1.63 USER MOD Set 2.2: A 79 CYS SG : rot 116:sc= -0.373 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.088) USER MOD Single : A 18 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 25 THR OG1 : rot 160:sc= -1.07 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 33 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.236) USER MOD Single : A 44 SER OG : rot -57:sc= 0.0228 USER MOD Single : A 46 THR OG1 : rot -99:sc= 0.193 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.274 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.669 K(o=-0.67,f=-4.5!) USER MOD Single : A 71 MET CE :methyl 129:sc= -2.89! (180deg=-4.07!) USER MOD Single : A 74 THR OG1 : rot 87:sc= -0.184 USER MOD Single : A 77 TYR OH : rot -31:sc= 0.193 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -119:sc= -3.83! USER MOD Single : A 83 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 86 THR OG1 : rot 44:sc= -1.47 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -162:sc= -0.0978 (180deg=-0.519) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.839 16.023 4.757 1.00 0.00 N ATOM 81 CA ALA A 9 -13.194 16.079 3.452 1.00 0.00 C ATOM 82 C ALA A 9 -13.848 15.108 2.474 1.00 0.00 C ATOM 83 O ALA A 9 -14.319 14.041 2.866 1.00 0.00 O ATOM 84 CB ALA A 9 -11.708 15.776 3.584 1.00 0.00 C ATOM 0 HA ALA A 9 -13.315 17.088 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.239 15.821 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.244 16.511 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.576 14.779 4.003 1.00 0.00 H new ATOM 90 N ARG A 10 -13.874 15.487 1.200 1.00 0.00 N ATOM 91 CA ARG A 10 -14.473 14.651 0.167 1.00 0.00 C ATOM 92 C ARG A 10 -13.433 14.244 -0.873 1.00 0.00 C ATOM 93 O ARG A 10 -12.671 15.077 -1.363 1.00 0.00 O ATOM 94 CB ARG A 10 -15.627 15.390 -0.512 1.00 0.00 C ATOM 95 CG ARG A 10 -15.214 16.705 -1.154 1.00 0.00 C ATOM 96 CD ARG A 10 -16.309 17.252 -2.056 1.00 0.00 C ATOM 97 NE ARG A 10 -16.122 18.672 -2.344 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.108 19.483 -2.713 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.342 19.016 -2.839 1.00 0.00 N ATOM 100 NH2 ARG A 10 -16.859 20.763 -2.958 1.00 0.00 N ATOM 0 H ARG A 10 -13.487 16.367 0.859 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.859 13.749 0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.062 14.744 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.407 15.584 0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.983 17.434 -0.377 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.303 16.558 -1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.323 16.691 -2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.278 17.103 -1.581 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.184 19.062 -2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.536 18.032 -2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.097 19.640 -3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.910 21.125 -2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.616 21.385 -3.241 1.00 0.00 H new ATOM 114 N PHE A 11 -13.409 12.957 -1.205 1.00 0.00 N ATOM 115 CA PHE A 11 -12.462 12.439 -2.186 1.00 0.00 C ATOM 116 C PHE A 11 -12.792 12.952 -3.584 1.00 0.00 C ATOM 117 O PHE A 11 -13.660 12.407 -4.267 1.00 0.00 O ATOM 118 CB PHE A 11 -12.471 10.909 -2.176 1.00 0.00 C ATOM 119 CG PHE A 11 -11.804 10.313 -0.969 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.426 10.188 -0.913 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.557 9.878 0.111 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.810 9.640 0.196 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.946 9.329 1.223 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.571 9.211 1.266 1.00 0.00 C ATOM 0 H PHE A 11 -14.034 12.254 -0.810 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.467 12.791 -1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.502 10.559 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.972 10.545 -3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.826 10.523 -1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.633 9.969 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.734 9.547 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.544 8.993 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.091 8.784 2.134 1.00 0.00 H new ATOM 134 N ILE A 12 -12.094 14.002 -4.003 1.00 0.00 N ATOM 135 CA ILE A 12 -12.312 14.588 -5.319 1.00 0.00 C ATOM 136 C ILE A 12 -11.894 13.625 -6.426 1.00 0.00 C ATOM 137 O ILE A 12 -12.470 13.627 -7.513 1.00 0.00 O ATOM 138 CB ILE A 12 -11.537 15.909 -5.483 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.033 15.664 -5.340 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.012 16.932 -4.462 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.188 16.862 -5.711 1.00 0.00 C ATOM 0 H ILE A 12 -11.372 14.464 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.380 14.791 -5.401 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.729 16.304 -6.481 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.815 15.381 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.749 14.820 -5.969 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.455 17.860 -4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.075 17.124 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.847 16.546 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.133 16.616 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.377 17.133 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.444 17.702 -5.065 1.00 0.00 H new ATOM 153 N GLU A 13 -10.889 12.804 -6.139 1.00 0.00 N ATOM 154 CA GLU A 13 -10.395 11.835 -7.111 1.00 0.00 C ATOM 155 C GLU A 13 -10.300 10.444 -6.491 1.00 0.00 C ATOM 156 O GLU A 13 -9.732 10.270 -5.412 1.00 0.00 O ATOM 157 CB GLU A 13 -9.025 12.264 -7.640 1.00 0.00 C ATOM 158 CG GLU A 13 -9.100 13.202 -8.833 1.00 0.00 C ATOM 159 CD GLU A 13 -9.615 12.515 -10.083 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.260 11.454 -9.953 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.373 13.039 -11.191 1.00 0.00 O ATOM 0 H GLU A 13 -10.401 12.790 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.101 11.797 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.472 12.753 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.459 11.376 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.751 14.042 -8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.110 13.613 -9.030 1.00 0.00 H new ATOM 168 N ASP A 14 -10.860 9.456 -7.181 1.00 0.00 N ATOM 169 CA ASP A 14 -10.839 8.080 -6.700 1.00 0.00 C ATOM 170 C ASP A 14 -9.627 7.331 -7.247 1.00 0.00 C ATOM 171 O ASP A 14 -9.270 7.478 -8.416 1.00 0.00 O ATOM 172 CB ASP A 14 -12.125 7.356 -7.102 1.00 0.00 C ATOM 173 CG ASP A 14 -12.535 7.656 -8.530 1.00 0.00 C ATOM 174 OD1 ASP A 14 -11.701 7.466 -9.439 1.00 0.00 O ATOM 175 OD2 ASP A 14 -13.691 8.082 -8.739 1.00 0.00 O ATOM 0 H ASP A 14 -11.334 9.583 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.769 8.103 -5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.985 6.281 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.929 7.648 -6.427 1.00 0.00 H new ATOM 180 N VAL A 15 -8.998 6.529 -6.394 1.00 0.00 N ATOM 181 CA VAL A 15 -7.827 5.758 -6.792 1.00 0.00 C ATOM 182 C VAL A 15 -8.133 4.875 -7.997 1.00 0.00 C ATOM 183 O VAL A 15 -9.290 4.547 -8.262 1.00 0.00 O ATOM 184 CB VAL A 15 -7.318 4.873 -5.638 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.978 5.724 -4.423 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.351 3.814 -5.284 1.00 0.00 C ATOM 0 H VAL A 15 -9.280 6.396 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.052 6.476 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.409 4.367 -5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.620 5.082 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.201 6.442 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.869 6.258 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.975 3.198 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.278 4.298 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.541 3.186 -6.154 1.00 0.00 H new ATOM 196 N LYS A 16 -7.089 4.493 -8.724 1.00 0.00 N ATOM 197 CA LYS A 16 -7.244 3.646 -9.900 1.00 0.00 C ATOM 198 C LYS A 16 -7.017 2.179 -9.549 1.00 0.00 C ATOM 199 O LYS A 16 -6.310 1.862 -8.594 1.00 0.00 O ATOM 200 CB LYS A 16 -6.267 4.076 -10.996 1.00 0.00 C ATOM 201 CG LYS A 16 -6.235 5.577 -11.228 1.00 0.00 C ATOM 202 CD LYS A 16 -7.572 6.092 -11.733 1.00 0.00 C ATOM 203 CE LYS A 16 -7.462 7.519 -12.247 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.076 7.563 -13.685 1.00 0.00 N ATOM 0 H LYS A 16 -6.125 4.757 -8.519 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.264 3.760 -10.266 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.266 3.736 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.537 3.579 -11.927 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.976 6.084 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.455 5.818 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.935 5.444 -12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.307 6.050 -10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.416 8.028 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.724 8.062 -11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.012 8.553 -13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.154 7.100 -13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.793 7.067 -14.252 1.00 0.00 H new ATOM 218 N ASN A 17 -7.621 1.288 -10.329 1.00 0.00 N ATOM 219 CA ASN A 17 -7.484 -0.146 -10.100 1.00 0.00 C ATOM 220 C ASN A 17 -6.024 -0.522 -9.867 1.00 0.00 C ATOM 221 O ASN A 17 -5.121 0.046 -10.481 1.00 0.00 O ATOM 222 CB ASN A 17 -8.040 -0.929 -11.291 1.00 0.00 C ATOM 223 CG ASN A 17 -7.623 -0.332 -12.621 1.00 0.00 C ATOM 224 OD1 ASN A 17 -6.523 -0.588 -13.111 1.00 0.00 O ATOM 225 ND2 ASN A 17 -8.502 0.469 -13.212 1.00 0.00 N ATOM 0 H ASN A 17 -8.210 1.534 -11.125 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.054 -0.403 -9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.696 -1.962 -11.236 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.128 -0.952 -11.231 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.277 0.900 -14.109 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.402 0.653 -12.769 1.00 0.00 H new ATOM 232 N GLN A 18 -5.801 -1.483 -8.976 1.00 0.00 N ATOM 233 CA GLN A 18 -4.450 -1.934 -8.661 1.00 0.00 C ATOM 234 C GLN A 18 -4.168 -3.290 -9.299 1.00 0.00 C ATOM 235 O GLN A 18 -5.045 -4.151 -9.362 1.00 0.00 O ATOM 236 CB GLN A 18 -4.258 -2.020 -7.146 1.00 0.00 C ATOM 237 CG GLN A 18 -2.818 -1.821 -6.704 1.00 0.00 C ATOM 238 CD GLN A 18 -2.229 -0.515 -7.201 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.134 -0.488 -7.762 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.956 0.578 -6.997 1.00 0.00 N ATOM 0 H GLN A 18 -6.538 -1.964 -8.460 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.747 -1.207 -9.068 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.884 -1.268 -6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.605 -2.993 -6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.770 -1.846 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.212 -2.650 -7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.859 0.510 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.611 1.486 -7.310 1.00 0.00 H new ATOM 249 N GLU A 19 -2.938 -3.472 -9.771 1.00 0.00 N ATOM 250 CA GLU A 19 -2.542 -4.724 -10.405 1.00 0.00 C ATOM 251 C GLU A 19 -1.024 -4.882 -10.394 1.00 0.00 C ATOM 252 O GLU A 19 -0.289 -3.938 -10.682 1.00 0.00 O ATOM 253 CB GLU A 19 -3.061 -4.780 -11.843 1.00 0.00 C ATOM 254 CG GLU A 19 -2.713 -6.070 -12.566 1.00 0.00 C ATOM 255 CD GLU A 19 -3.138 -6.057 -14.021 1.00 0.00 C ATOM 256 OE1 GLU A 19 -2.424 -5.445 -14.843 1.00 0.00 O ATOM 257 OE2 GLU A 19 -4.186 -6.658 -14.338 1.00 0.00 O ATOM 0 H GLU A 19 -2.200 -2.769 -9.726 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.980 -5.544 -9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.144 -4.659 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.651 -3.938 -12.401 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.637 -6.236 -12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.193 -6.907 -12.059 1.00 0.00 H new ATOM 264 N ALA A 20 -0.562 -6.083 -10.060 1.00 0.00 N ATOM 265 CA ALA A 20 0.867 -6.366 -10.013 1.00 0.00 C ATOM 266 C ALA A 20 1.125 -7.857 -9.821 1.00 0.00 C ATOM 267 O ALA A 20 0.312 -8.566 -9.228 1.00 0.00 O ATOM 268 CB ALA A 20 1.527 -5.567 -8.900 1.00 0.00 C ATOM 0 H ALA A 20 -1.157 -6.875 -9.818 1.00 0.00 H new ATOM 0 HA ALA A 20 1.303 -6.068 -10.967 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.594 -5.788 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.381 -4.502 -9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.079 -5.837 -7.944 1.00 0.00 H new ATOM 274 N ARG A 21 2.261 -8.326 -10.327 1.00 0.00 N ATOM 275 CA ARG A 21 2.625 -9.733 -10.213 1.00 0.00 C ATOM 276 C ARG A 21 3.016 -10.079 -8.779 1.00 0.00 C ATOM 277 O ARG A 21 3.614 -9.265 -8.076 1.00 0.00 O ATOM 278 CB ARG A 21 3.780 -10.062 -11.161 1.00 0.00 C ATOM 279 CG ARG A 21 3.350 -10.226 -12.610 1.00 0.00 C ATOM 280 CD ARG A 21 3.025 -11.675 -12.933 1.00 0.00 C ATOM 281 NE ARG A 21 2.087 -11.790 -14.047 1.00 0.00 N ATOM 282 CZ ARG A 21 2.010 -12.855 -14.837 1.00 0.00 C ATOM 283 NH1 ARG A 21 2.811 -13.893 -14.635 1.00 0.00 N ATOM 284 NH2 ARG A 21 1.130 -12.885 -15.830 1.00 0.00 N ATOM 0 H ARG A 21 2.945 -7.752 -10.820 1.00 0.00 H new ATOM 0 HA ARG A 21 1.756 -10.330 -10.489 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.526 -9.270 -11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.262 -10.981 -10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.476 -9.604 -12.804 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.144 -9.874 -13.269 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.944 -12.207 -13.177 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.602 -12.157 -12.052 1.00 0.00 H new ATOM 0 HE ARG A 21 1.456 -11.009 -14.228 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.488 -13.874 -13.872 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.750 -14.710 -15.243 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.511 -12.089 -15.987 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.072 -13.704 -16.436 1.00 0.00 H new ATOM 298 N GLU A 22 2.672 -11.290 -8.353 1.00 0.00 N ATOM 299 CA GLU A 22 2.986 -11.742 -7.003 1.00 0.00 C ATOM 300 C GLU A 22 4.412 -11.358 -6.618 1.00 0.00 C ATOM 301 O GLU A 22 5.325 -11.415 -7.441 1.00 0.00 O ATOM 302 CB GLU A 22 2.807 -13.258 -6.894 1.00 0.00 C ATOM 303 CG GLU A 22 1.413 -13.676 -6.458 1.00 0.00 C ATOM 304 CD GLU A 22 1.278 -15.178 -6.299 1.00 0.00 C ATOM 305 OE1 GLU A 22 1.951 -15.918 -7.047 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.500 -15.614 -5.424 1.00 0.00 O ATOM 0 H GLU A 22 2.176 -11.975 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 22 2.298 -11.252 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.028 -13.712 -7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.534 -13.651 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.171 -13.191 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.687 -13.325 -7.191 1.00 0.00 H new ATOM 313 N GLY A 23 4.595 -10.966 -5.361 1.00 0.00 N ATOM 314 CA GLY A 23 5.911 -10.577 -4.889 1.00 0.00 C ATOM 315 C GLY A 23 6.266 -9.153 -5.269 1.00 0.00 C ATOM 316 O GLY A 23 7.438 -8.828 -5.459 1.00 0.00 O ATOM 0 H GLY A 23 3.855 -10.911 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.950 -10.681 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.657 -11.256 -5.301 1.00 0.00 H new ATOM 320 N ALA A 24 5.252 -8.302 -5.381 1.00 0.00 N ATOM 321 CA ALA A 24 5.463 -6.905 -5.741 1.00 0.00 C ATOM 322 C ALA A 24 4.901 -5.972 -4.673 1.00 0.00 C ATOM 323 O ALA A 24 4.330 -6.422 -3.679 1.00 0.00 O ATOM 324 CB ALA A 24 4.830 -6.606 -7.092 1.00 0.00 C ATOM 0 H ALA A 24 4.276 -8.555 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 24 6.537 -6.732 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.995 -5.559 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.281 -7.241 -7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.759 -6.803 -7.043 1.00 0.00 H new ATOM 330 N THR A 25 5.068 -4.670 -4.884 1.00 0.00 N ATOM 331 CA THR A 25 4.579 -3.674 -3.939 1.00 0.00 C ATOM 332 C THR A 25 3.511 -2.791 -4.574 1.00 0.00 C ATOM 333 O THR A 25 3.809 -1.962 -5.433 1.00 0.00 O ATOM 334 CB THR A 25 5.724 -2.784 -3.420 1.00 0.00 C ATOM 335 OG1 THR A 25 6.777 -3.597 -2.893 1.00 0.00 O ATOM 336 CG2 THR A 25 5.223 -1.833 -2.343 1.00 0.00 C ATOM 0 H THR A 25 5.538 -4.281 -5.701 1.00 0.00 H new ATOM 0 HA THR A 25 4.144 -4.219 -3.101 1.00 0.00 H new ATOM 0 HB THR A 25 6.104 -2.195 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.608 -3.078 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.049 -1.214 -1.991 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.442 -1.195 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.819 -2.408 -1.509 1.00 0.00 H new ATOM 344 N ALA A 26 2.267 -2.975 -4.146 1.00 0.00 N ATOM 345 CA ALA A 26 1.155 -2.193 -4.671 1.00 0.00 C ATOM 346 C ALA A 26 1.293 -0.721 -4.296 1.00 0.00 C ATOM 347 O ALA A 26 2.073 -0.366 -3.412 1.00 0.00 O ATOM 348 CB ALA A 26 -0.168 -2.747 -4.162 1.00 0.00 C ATOM 0 H ALA A 26 2.004 -3.659 -3.437 1.00 0.00 H new ATOM 0 HA ALA A 26 1.173 -2.268 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.989 -2.153 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.278 -3.782 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.186 -2.703 -3.073 1.00 0.00 H new ATOM 354 N VAL A 27 0.533 0.132 -4.975 1.00 0.00 N ATOM 355 CA VAL A 27 0.571 1.566 -4.713 1.00 0.00 C ATOM 356 C VAL A 27 -0.778 2.214 -5.004 1.00 0.00 C ATOM 357 O VAL A 27 -1.221 2.261 -6.153 1.00 0.00 O ATOM 358 CB VAL A 27 1.655 2.262 -5.556 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.899 3.676 -5.051 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.943 1.452 -5.541 1.00 0.00 C ATOM 0 H VAL A 27 -0.117 -0.145 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 27 0.809 1.688 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 27 1.304 2.326 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.668 4.152 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.975 4.251 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.228 3.640 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.698 1.959 -6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.300 1.355 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.755 0.461 -5.955 1.00 0.00 H new ATOM 370 N LEU A 28 -1.427 2.712 -3.958 1.00 0.00 N ATOM 371 CA LEU A 28 -2.727 3.359 -4.101 1.00 0.00 C ATOM 372 C LEU A 28 -2.637 4.843 -3.761 1.00 0.00 C ATOM 373 O LEU A 28 -2.327 5.212 -2.628 1.00 0.00 O ATOM 374 CB LEU A 28 -3.759 2.679 -3.200 1.00 0.00 C ATOM 375 CG LEU A 28 -4.259 1.311 -3.665 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.637 0.447 -2.472 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.443 1.469 -4.609 1.00 0.00 C ATOM 0 H LEU A 28 -1.075 2.680 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.041 3.262 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.326 2.566 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.618 3.343 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.453 0.815 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.991 -0.523 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.765 0.306 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.427 0.937 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.786 0.485 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.253 1.985 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.139 2.049 -5.480 1.00 0.00 H new ATOM 389 N GLN A 29 -2.912 5.689 -4.748 1.00 0.00 N ATOM 390 CA GLN A 29 -2.863 7.133 -4.552 1.00 0.00 C ATOM 391 C GLN A 29 -4.244 7.755 -4.738 1.00 0.00 C ATOM 392 O GLN A 29 -5.021 7.321 -5.589 1.00 0.00 O ATOM 393 CB GLN A 29 -1.870 7.768 -5.527 1.00 0.00 C ATOM 394 CG GLN A 29 -0.441 7.285 -5.340 1.00 0.00 C ATOM 395 CD GLN A 29 0.507 7.848 -6.381 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.406 9.014 -6.763 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.435 7.020 -6.847 1.00 0.00 N ATOM 0 H GLN A 29 -3.171 5.400 -5.691 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.532 7.324 -3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.187 7.552 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.897 8.851 -5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.093 7.568 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.421 6.196 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.483 6.061 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.100 7.343 -7.550 1.00 0.00 H new ATOM 406 N CYS A 30 -4.541 8.772 -3.937 1.00 0.00 N ATOM 407 CA CYS A 30 -5.829 9.452 -4.012 1.00 0.00 C ATOM 408 C CYS A 30 -5.676 10.941 -3.716 1.00 0.00 C ATOM 409 O CYS A 30 -4.620 11.388 -3.270 1.00 0.00 O ATOM 410 CB CYS A 30 -6.820 8.824 -3.030 1.00 0.00 C ATOM 411 SG CYS A 30 -6.678 9.446 -1.339 1.00 0.00 S ATOM 0 H CYS A 30 -3.908 9.144 -3.229 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.213 9.339 -5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.834 9.004 -3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.672 7.744 -3.022 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.030 8.515 -0.503 1.00 0.00 H new ATOM 417 N GLU A 31 -6.736 11.702 -3.968 1.00 0.00 N ATOM 418 CA GLU A 31 -6.717 13.140 -3.730 1.00 0.00 C ATOM 419 C GLU A 31 -7.968 13.584 -2.977 1.00 0.00 C ATOM 420 O GLU A 31 -9.063 13.069 -3.211 1.00 0.00 O ATOM 421 CB GLU A 31 -6.611 13.897 -5.056 1.00 0.00 C ATOM 422 CG GLU A 31 -6.082 15.313 -4.907 1.00 0.00 C ATOM 423 CD GLU A 31 -5.653 15.918 -6.230 1.00 0.00 C ATOM 424 OE1 GLU A 31 -5.300 15.149 -7.148 1.00 0.00 O ATOM 425 OE2 GLU A 31 -5.672 17.161 -6.348 1.00 0.00 O ATOM 0 H GLU A 31 -7.618 11.347 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.845 13.370 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.958 13.343 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.595 13.933 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.853 15.939 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.235 15.310 -4.221 1.00 0.00 H new ATOM 432 N LEU A 32 -7.798 14.541 -2.072 1.00 0.00 N ATOM 433 CA LEU A 32 -8.913 15.054 -1.283 1.00 0.00 C ATOM 434 C LEU A 32 -9.154 16.531 -1.579 1.00 0.00 C ATOM 435 O LEU A 32 -8.221 17.276 -1.874 1.00 0.00 O ATOM 436 CB LEU A 32 -8.639 14.859 0.209 1.00 0.00 C ATOM 437 CG LEU A 32 -8.533 13.411 0.689 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.591 13.311 1.878 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.907 12.865 1.047 1.00 0.00 C ATOM 0 H LEU A 32 -6.899 14.978 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.808 14.496 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.710 15.372 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.434 15.350 0.771 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.126 12.808 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.528 12.273 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.600 13.661 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.968 13.927 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.812 11.834 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.343 13.470 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.552 12.900 0.169 1.00 0.00 H new ATOM 451 N ASN A 33 -10.414 16.948 -1.496 1.00 0.00 N ATOM 452 CA ASN A 33 -10.778 18.336 -1.753 1.00 0.00 C ATOM 453 C ASN A 33 -10.098 19.270 -0.756 1.00 0.00 C ATOM 454 O ASN A 33 -9.927 20.460 -1.022 1.00 0.00 O ATOM 455 CB ASN A 33 -12.296 18.509 -1.677 1.00 0.00 C ATOM 456 CG ASN A 33 -12.698 19.901 -1.227 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.193 20.900 -1.738 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.611 19.970 -0.265 1.00 0.00 N ATOM 0 H ASN A 33 -11.199 16.344 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.439 18.595 -2.756 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.731 18.307 -2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.709 17.774 -0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.921 20.879 0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.002 19.114 0.129 1.00 0.00 H new ATOM 465 N SER A 34 -9.713 18.723 0.392 1.00 0.00 N ATOM 466 CA SER A 34 -9.055 19.507 1.430 1.00 0.00 C ATOM 467 C SER A 34 -8.295 18.602 2.395 1.00 0.00 C ATOM 468 O SER A 34 -8.761 17.518 2.745 1.00 0.00 O ATOM 469 CB SER A 34 -10.082 20.341 2.197 1.00 0.00 C ATOM 470 OG SER A 34 -9.463 21.428 2.863 1.00 0.00 O ATOM 0 H SER A 34 -9.845 17.739 0.627 1.00 0.00 H new ATOM 0 HA SER A 34 -8.342 20.176 0.948 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.838 20.716 1.507 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.597 19.712 2.923 1.00 0.00 H new ATOM 0 HG SER A 34 -10.142 21.946 3.344 1.00 0.00 H new ATOM 476 N ALA A 35 -7.121 19.056 2.822 1.00 0.00 N ATOM 477 CA ALA A 35 -6.297 18.290 3.749 1.00 0.00 C ATOM 478 C ALA A 35 -7.160 17.489 4.717 1.00 0.00 C ATOM 479 O ALA A 35 -7.982 18.049 5.441 1.00 0.00 O ATOM 480 CB ALA A 35 -5.362 19.216 4.513 1.00 0.00 C ATOM 0 H ALA A 35 -6.719 19.950 2.541 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.699 17.586 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.753 18.631 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.714 19.739 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.949 19.942 5.075 1.00 0.00 H new ATOM 486 N ALA A 36 -6.967 16.174 4.726 1.00 0.00 N ATOM 487 CA ALA A 36 -7.727 15.295 5.607 1.00 0.00 C ATOM 488 C ALA A 36 -7.093 13.911 5.682 1.00 0.00 C ATOM 489 O ALA A 36 -6.464 13.437 4.735 1.00 0.00 O ATOM 490 CB ALA A 36 -9.169 15.193 5.134 1.00 0.00 C ATOM 0 H ALA A 36 -6.290 15.694 4.133 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.714 15.726 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.725 14.534 5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.625 16.183 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.192 14.789 4.122 1.00 0.00 H new ATOM 496 N PRO A 37 -7.259 13.244 6.834 1.00 0.00 N ATOM 497 CA PRO A 37 -6.710 11.904 7.060 1.00 0.00 C ATOM 498 C PRO A 37 -7.418 10.840 6.228 1.00 0.00 C ATOM 499 O PRO A 37 -8.376 11.132 5.513 1.00 0.00 O ATOM 500 CB PRO A 37 -6.955 11.667 8.552 1.00 0.00 C ATOM 501 CG PRO A 37 -8.117 12.537 8.888 1.00 0.00 C ATOM 502 CD PRO A 37 -7.997 13.748 8.005 1.00 0.00 C ATOM 0 HA PRO A 37 -5.661 11.839 6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.173 10.619 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.079 11.931 9.144 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.058 12.017 8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.102 12.819 9.941 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.975 14.140 7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.460 14.556 8.502 1.00 0.00 H new ATOM 510 N VAL A 38 -6.940 9.603 6.327 1.00 0.00 N ATOM 511 CA VAL A 38 -7.528 8.495 5.585 1.00 0.00 C ATOM 512 C VAL A 38 -7.249 7.163 6.273 1.00 0.00 C ATOM 513 O VAL A 38 -6.312 7.046 7.062 1.00 0.00 O ATOM 514 CB VAL A 38 -6.992 8.437 4.142 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.393 9.687 3.373 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.481 8.264 4.143 1.00 0.00 C ATOM 0 H VAL A 38 -6.147 9.344 6.914 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.604 8.669 5.558 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.434 7.575 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.006 9.628 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.480 9.763 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.981 10.566 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.119 8.225 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.019 9.105 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.221 7.337 4.655 1.00 0.00 H new ATOM 526 N GLU A 39 -8.068 6.162 5.967 1.00 0.00 N ATOM 527 CA GLU A 39 -7.908 4.838 6.556 1.00 0.00 C ATOM 528 C GLU A 39 -8.000 3.752 5.488 1.00 0.00 C ATOM 529 O GLU A 39 -9.061 3.167 5.273 1.00 0.00 O ATOM 530 CB GLU A 39 -8.972 4.602 7.631 1.00 0.00 C ATOM 531 CG GLU A 39 -8.982 3.184 8.177 1.00 0.00 C ATOM 532 CD GLU A 39 -9.923 3.019 9.354 1.00 0.00 C ATOM 533 OE1 GLU A 39 -9.523 3.361 10.486 1.00 0.00 O ATOM 534 OE2 GLU A 39 -11.060 2.548 9.143 1.00 0.00 O ATOM 0 H GLU A 39 -8.848 6.243 5.315 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.920 4.790 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.806 5.298 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.953 4.829 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.274 2.495 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.972 2.909 8.482 1.00 0.00 H new ATOM 541 N TRP A 40 -6.881 3.489 4.823 1.00 0.00 N ATOM 542 CA TRP A 40 -6.835 2.474 3.777 1.00 0.00 C ATOM 543 C TRP A 40 -7.357 1.137 4.291 1.00 0.00 C ATOM 544 O TRP A 40 -6.788 0.551 5.213 1.00 0.00 O ATOM 545 CB TRP A 40 -5.405 2.311 3.259 1.00 0.00 C ATOM 546 CG TRP A 40 -4.883 3.531 2.561 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.128 4.529 3.109 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.080 3.882 1.187 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.844 5.479 2.158 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.415 5.106 0.971 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.750 3.282 0.118 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.405 5.737 -0.270 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.739 3.910 -1.112 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.070 5.127 -1.299 1.00 0.00 C ATOM 0 H TRP A 40 -5.994 3.964 4.989 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.476 2.803 2.959 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.748 2.071 4.095 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.369 1.465 2.572 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.802 4.566 4.138 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.296 6.326 2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.268 2.343 0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.890 6.675 -0.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.255 3.455 -1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.079 5.592 -2.274 1.00 0.00 H new ATOM 565 N ARG A 41 -8.443 0.661 3.691 1.00 0.00 N ATOM 566 CA ARG A 41 -9.042 -0.607 4.090 1.00 0.00 C ATOM 567 C ARG A 41 -8.695 -1.710 3.095 1.00 0.00 C ATOM 568 O ARG A 41 -7.964 -1.483 2.130 1.00 0.00 O ATOM 569 CB ARG A 41 -10.561 -0.465 4.201 1.00 0.00 C ATOM 570 CG ARG A 41 -11.003 0.621 5.168 1.00 0.00 C ATOM 571 CD ARG A 41 -12.519 0.698 5.265 1.00 0.00 C ATOM 572 NE ARG A 41 -12.954 1.500 6.405 1.00 0.00 N ATOM 573 CZ ARG A 41 -14.151 1.387 6.969 1.00 0.00 C ATOM 574 NH1 ARG A 41 -15.028 0.510 6.501 1.00 0.00 N ATOM 575 NH2 ARG A 41 -14.474 2.153 8.004 1.00 0.00 N ATOM 0 H ARG A 41 -8.926 1.134 2.927 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.637 -0.880 5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.970 -0.249 3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.984 -1.418 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.584 0.424 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.609 1.583 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.920 1.126 4.346 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.928 -0.308 5.352 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.303 2.185 6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.784 -0.080 5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.947 0.425 6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.802 2.829 8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.394 2.065 8.436 1.00 0.00 H new ATOM 589 N LYS A 42 -9.222 -2.905 3.337 1.00 0.00 N ATOM 590 CA LYS A 42 -8.969 -4.045 2.462 1.00 0.00 C ATOM 591 C LYS A 42 -9.967 -5.167 2.729 1.00 0.00 C ATOM 592 O LYS A 42 -10.151 -5.590 3.869 1.00 0.00 O ATOM 593 CB LYS A 42 -7.542 -4.560 2.661 1.00 0.00 C ATOM 594 CG LYS A 42 -7.154 -5.665 1.694 1.00 0.00 C ATOM 595 CD LYS A 42 -7.514 -7.036 2.241 1.00 0.00 C ATOM 596 CE LYS A 42 -7.539 -8.086 1.141 1.00 0.00 C ATOM 597 NZ LYS A 42 -8.480 -9.197 1.455 1.00 0.00 N ATOM 0 H LYS A 42 -9.827 -3.110 4.132 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.089 -3.713 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.846 -3.729 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.436 -4.928 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.658 -5.509 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.082 -5.620 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.792 -7.325 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.490 -6.991 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.830 -7.619 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.536 -8.489 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.174 -10.061 0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.487 -9.367 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.437 -8.940 1.140 1.00 0.00 H new ATOM 611 N GLY A 43 -10.610 -5.646 1.667 1.00 0.00 N ATOM 612 CA GLY A 43 -11.580 -6.716 1.808 1.00 0.00 C ATOM 613 C GLY A 43 -12.385 -6.604 3.088 1.00 0.00 C ATOM 614 O GLY A 43 -12.574 -7.591 3.799 1.00 0.00 O ATOM 0 H GLY A 43 -10.476 -5.312 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.257 -6.703 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.063 -7.675 1.790 1.00 0.00 H new ATOM 618 N SER A 44 -12.860 -5.398 3.383 1.00 0.00 N ATOM 619 CA SER A 44 -13.644 -5.159 4.589 1.00 0.00 C ATOM 620 C SER A 44 -12.761 -5.216 5.831 1.00 0.00 C ATOM 621 O SER A 44 -13.074 -5.913 6.796 1.00 0.00 O ATOM 622 CB SER A 44 -14.770 -6.188 4.702 1.00 0.00 C ATOM 623 OG SER A 44 -15.765 -5.757 5.614 1.00 0.00 O ATOM 0 H SER A 44 -12.716 -4.571 2.803 1.00 0.00 H new ATOM 0 HA SER A 44 -14.078 -4.162 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.217 -6.351 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.362 -7.144 5.029 1.00 0.00 H new ATOM 0 HG SER A 44 -15.356 -5.590 6.489 1.00 0.00 H new ATOM 629 N GLU A 45 -11.656 -4.478 5.799 1.00 0.00 N ATOM 630 CA GLU A 45 -10.727 -4.445 6.922 1.00 0.00 C ATOM 631 C GLU A 45 -9.897 -3.164 6.905 1.00 0.00 C ATOM 632 O GLU A 45 -9.607 -2.612 5.842 1.00 0.00 O ATOM 633 CB GLU A 45 -9.803 -5.665 6.885 1.00 0.00 C ATOM 634 CG GLU A 45 -8.462 -5.392 6.225 1.00 0.00 C ATOM 635 CD GLU A 45 -7.659 -6.657 5.992 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.215 -7.617 5.419 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.473 -6.687 6.382 1.00 0.00 O ATOM 0 H GLU A 45 -11.382 -3.895 5.008 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.310 -4.467 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.633 -6.013 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.303 -6.473 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.626 -4.889 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.886 -4.710 6.850 1.00 0.00 H new ATOM 644 N THR A 46 -9.517 -2.696 8.089 1.00 0.00 N ATOM 645 CA THR A 46 -8.723 -1.480 8.212 1.00 0.00 C ATOM 646 C THR A 46 -7.231 -1.794 8.200 1.00 0.00 C ATOM 647 O THR A 46 -6.772 -2.703 8.893 1.00 0.00 O ATOM 648 CB THR A 46 -9.064 -0.714 9.504 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.441 -0.320 9.491 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.181 0.516 9.653 1.00 0.00 C ATOM 0 H THR A 46 -9.746 -3.141 8.978 1.00 0.00 H new ATOM 0 HA THR A 46 -8.967 -0.855 7.353 1.00 0.00 H new ATOM 0 HB THR A 46 -8.884 -1.376 10.351 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.510 0.617 9.213 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.440 1.041 10.573 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.135 0.211 9.692 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.334 1.179 8.801 1.00 0.00 H new ATOM 658 N LEU A 47 -6.479 -1.038 7.409 1.00 0.00 N ATOM 659 CA LEU A 47 -5.037 -1.235 7.307 1.00 0.00 C ATOM 660 C LEU A 47 -4.288 -0.242 8.190 1.00 0.00 C ATOM 661 O LEU A 47 -4.880 0.691 8.733 1.00 0.00 O ATOM 662 CB LEU A 47 -4.583 -1.086 5.854 1.00 0.00 C ATOM 663 CG LEU A 47 -5.383 -1.876 4.817 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.008 -1.440 3.409 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.156 -3.370 4.993 1.00 0.00 C ATOM 0 H LEU A 47 -6.843 -0.283 6.828 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.808 -2.244 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.624 -0.030 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.539 -1.391 5.787 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.442 -1.670 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.587 -2.013 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.223 -0.378 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.945 -1.616 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.733 -3.916 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.097 -3.594 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.475 -3.672 5.991 1.00 0.00 H new ATOM 677 N ARG A 48 -2.982 -0.448 8.326 1.00 0.00 N ATOM 678 CA ARG A 48 -2.151 0.430 9.142 1.00 0.00 C ATOM 679 C ARG A 48 -0.724 0.482 8.605 1.00 0.00 C ATOM 680 O ARG A 48 -0.219 -0.500 8.060 1.00 0.00 O ATOM 681 CB ARG A 48 -2.144 -0.046 10.596 1.00 0.00 C ATOM 682 CG ARG A 48 -3.493 0.080 11.285 1.00 0.00 C ATOM 683 CD ARG A 48 -3.846 1.534 11.558 1.00 0.00 C ATOM 684 NE ARG A 48 -3.219 2.029 12.781 1.00 0.00 N ATOM 685 CZ ARG A 48 -3.402 3.256 13.255 1.00 0.00 C ATOM 686 NH1 ARG A 48 -4.188 4.109 12.613 1.00 0.00 N ATOM 687 NH2 ARG A 48 -2.797 3.633 14.375 1.00 0.00 N ATOM 0 H ARG A 48 -2.477 -1.215 7.882 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.574 1.434 9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.826 -1.088 10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.405 0.529 11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.265 -0.372 10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.476 -0.474 12.224 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.530 2.148 10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.928 1.635 11.639 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.607 1.398 13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.655 3.824 11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.326 5.051 12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.191 2.980 14.872 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.938 4.576 14.738 1.00 0.00 H new ATOM 701 N ASP A 49 -0.080 1.633 8.762 1.00 0.00 N ATOM 702 CA ASP A 49 1.290 1.813 8.294 1.00 0.00 C ATOM 703 C ASP A 49 2.278 1.122 9.228 1.00 0.00 C ATOM 704 O ASP A 49 2.415 1.497 10.391 1.00 0.00 O ATOM 705 CB ASP A 49 1.624 3.301 8.188 1.00 0.00 C ATOM 706 CG ASP A 49 2.187 3.861 9.480 1.00 0.00 C ATOM 707 OD1 ASP A 49 1.467 3.840 10.500 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.349 4.320 9.470 1.00 0.00 O ATOM 0 H ASP A 49 -0.484 2.456 9.210 1.00 0.00 H new ATOM 0 HA ASP A 49 1.373 1.359 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.345 3.452 7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.725 3.854 7.917 1.00 0.00 H new ATOM 713 N GLY A 50 2.966 0.109 8.709 1.00 0.00 N ATOM 714 CA GLY A 50 3.933 -0.619 9.510 1.00 0.00 C ATOM 715 C GLY A 50 5.220 -0.893 8.758 1.00 0.00 C ATOM 716 O GLY A 50 5.830 0.022 8.205 1.00 0.00 O ATOM 0 H GLY A 50 2.871 -0.220 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.157 -0.048 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.496 -1.564 9.832 1.00 0.00 H new ATOM 720 N ASP A 51 5.635 -2.155 8.739 1.00 0.00 N ATOM 721 CA ASP A 51 6.859 -2.547 8.050 1.00 0.00 C ATOM 722 C ASP A 51 6.588 -2.822 6.575 1.00 0.00 C ATOM 723 O ASP A 51 7.262 -2.281 5.698 1.00 0.00 O ATOM 724 CB ASP A 51 7.466 -3.787 8.710 1.00 0.00 C ATOM 725 CG ASP A 51 8.977 -3.824 8.591 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.496 -3.488 7.506 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.641 -4.188 9.584 1.00 0.00 O ATOM 0 H ASP A 51 5.142 -2.924 9.193 1.00 0.00 H new ATOM 0 HA ASP A 51 7.568 -1.722 8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.187 -3.808 9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.046 -4.682 8.251 1.00 0.00 H new ATOM 732 N ARG A 52 5.597 -3.667 6.308 1.00 0.00 N ATOM 733 CA ARG A 52 5.238 -4.016 4.938 1.00 0.00 C ATOM 734 C ARG A 52 4.378 -2.925 4.307 1.00 0.00 C ATOM 735 O ARG A 52 4.569 -2.564 3.145 1.00 0.00 O ATOM 736 CB ARG A 52 4.491 -5.350 4.908 1.00 0.00 C ATOM 737 CG ARG A 52 5.408 -6.562 4.905 1.00 0.00 C ATOM 738 CD ARG A 52 4.648 -7.835 4.569 1.00 0.00 C ATOM 739 NE ARG A 52 5.322 -9.026 5.079 1.00 0.00 N ATOM 740 CZ ARG A 52 5.124 -10.247 4.595 1.00 0.00 C ATOM 741 NH1 ARG A 52 4.276 -10.437 3.594 1.00 0.00 N ATOM 742 NH2 ARG A 52 5.775 -11.281 5.111 1.00 0.00 N ATOM 0 H ARG A 52 5.029 -4.122 7.022 1.00 0.00 H new ATOM 0 HA ARG A 52 6.158 -4.110 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.831 -5.407 5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.858 -5.382 4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.208 -6.412 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.879 -6.666 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.644 -7.779 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.537 -7.916 3.488 1.00 0.00 H new ATOM 0 HE ARG A 52 5.981 -8.914 5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.774 -9.645 3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.126 -11.376 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.429 -11.139 5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.622 -12.218 4.738 1.00 0.00 H new ATOM 756 N TYR A 53 3.431 -2.404 5.080 1.00 0.00 N ATOM 757 CA TYR A 53 2.540 -1.356 4.595 1.00 0.00 C ATOM 758 C TYR A 53 3.177 0.020 4.760 1.00 0.00 C ATOM 759 O TYR A 53 4.106 0.196 5.548 1.00 0.00 O ATOM 760 CB TYR A 53 1.207 -1.406 5.343 1.00 0.00 C ATOM 761 CG TYR A 53 0.396 -2.648 5.053 1.00 0.00 C ATOM 762 CD1 TYR A 53 0.678 -3.851 5.688 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.654 -2.619 4.143 1.00 0.00 C ATOM 764 CE1 TYR A 53 -0.060 -4.989 5.425 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.399 -3.751 3.874 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.098 -4.934 4.518 1.00 0.00 C ATOM 767 OH TYR A 53 -1.836 -6.064 4.254 1.00 0.00 O ATOM 0 H TYR A 53 3.261 -2.690 6.044 1.00 0.00 H new ATOM 0 HA TYR A 53 2.361 -1.528 3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.399 -1.350 6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.618 -0.528 5.078 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.489 -3.897 6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.892 -1.695 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.174 -5.916 5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.212 -3.710 3.164 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.529 -5.855 3.594 1.00 0.00 H new ATOM 777 N SER A 54 2.670 0.993 4.010 1.00 0.00 N ATOM 778 CA SER A 54 3.190 2.354 4.069 1.00 0.00 C ATOM 779 C SER A 54 2.115 3.364 3.679 1.00 0.00 C ATOM 780 O SER A 54 1.782 3.510 2.502 1.00 0.00 O ATOM 781 CB SER A 54 4.402 2.500 3.147 1.00 0.00 C ATOM 782 OG SER A 54 5.214 1.339 3.184 1.00 0.00 O ATOM 0 H SER A 54 1.899 0.864 3.354 1.00 0.00 H new ATOM 0 HA SER A 54 3.497 2.555 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.066 2.680 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.989 3.368 3.448 1.00 0.00 H new ATOM 0 HG SER A 54 5.981 1.457 2.585 1.00 0.00 H new ATOM 788 N LEU A 55 1.577 4.060 4.675 1.00 0.00 N ATOM 789 CA LEU A 55 0.539 5.057 4.437 1.00 0.00 C ATOM 790 C LEU A 55 1.110 6.469 4.525 1.00 0.00 C ATOM 791 O LEU A 55 1.312 7.000 5.618 1.00 0.00 O ATOM 792 CB LEU A 55 -0.597 4.890 5.448 1.00 0.00 C ATOM 793 CG LEU A 55 -1.446 3.627 5.300 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.654 2.399 5.720 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.724 3.745 6.119 1.00 0.00 C ATOM 0 H LEU A 55 1.842 3.952 5.654 1.00 0.00 H new ATOM 0 HA LEU A 55 0.147 4.905 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.169 4.901 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.254 5.756 5.373 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.719 3.517 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.275 1.510 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.232 2.305 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.351 2.501 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.316 2.837 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.471 3.880 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.301 4.602 5.772 1.00 0.00 H new ATOM 807 N ARG A 56 1.366 7.072 3.369 1.00 0.00 N ATOM 808 CA ARG A 56 1.912 8.422 3.316 1.00 0.00 C ATOM 809 C ARG A 56 0.826 9.435 2.966 1.00 0.00 C ATOM 810 O ARG A 56 -0.324 9.067 2.728 1.00 0.00 O ATOM 811 CB ARG A 56 3.044 8.497 2.289 1.00 0.00 C ATOM 812 CG ARG A 56 4.273 7.691 2.678 1.00 0.00 C ATOM 813 CD ARG A 56 5.272 7.612 1.534 1.00 0.00 C ATOM 814 NE ARG A 56 6.626 7.337 2.007 1.00 0.00 N ATOM 815 CZ ARG A 56 7.079 6.115 2.268 1.00 0.00 C ATOM 816 NH1 ARG A 56 6.291 5.062 2.101 1.00 0.00 N ATOM 817 NH2 ARG A 56 8.324 5.946 2.695 1.00 0.00 N ATOM 0 H ARG A 56 1.204 6.647 2.456 1.00 0.00 H new ATOM 0 HA ARG A 56 2.308 8.666 4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.675 8.140 1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.332 9.540 2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.748 8.146 3.547 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.972 6.685 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.965 6.831 0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.265 8.551 0.981 1.00 0.00 H new ATOM 0 HE ARG A 56 7.258 8.125 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.334 5.188 1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.642 4.126 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.933 6.754 2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.672 5.008 2.895 1.00 0.00 H new ATOM 831 N GLN A 57 1.200 10.710 2.937 1.00 0.00 N ATOM 832 CA GLN A 57 0.257 11.775 2.617 1.00 0.00 C ATOM 833 C GLN A 57 0.978 13.109 2.451 1.00 0.00 C ATOM 834 O GLN A 57 1.873 13.443 3.227 1.00 0.00 O ATOM 835 CB GLN A 57 -0.806 11.889 3.711 1.00 0.00 C ATOM 836 CG GLN A 57 -1.838 12.974 3.446 1.00 0.00 C ATOM 837 CD GLN A 57 -2.653 13.317 4.677 1.00 0.00 C ATOM 838 OE1 GLN A 57 -2.155 13.951 5.608 1.00 0.00 O ATOM 839 NE2 GLN A 57 -3.913 12.899 4.689 1.00 0.00 N ATOM 0 H GLN A 57 2.149 11.030 3.131 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.228 11.525 1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.316 10.931 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.315 12.091 4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.333 13.871 3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.508 12.647 2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.285 12.377 3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.509 13.100 5.492 1.00 0.00 H new ATOM 848 N ASP A 58 0.583 13.866 1.433 1.00 0.00 N ATOM 849 CA ASP A 58 1.191 15.164 1.165 1.00 0.00 C ATOM 850 C ASP A 58 0.124 16.244 1.018 1.00 0.00 C ATOM 851 O ASP A 58 -0.176 16.688 -0.090 1.00 0.00 O ATOM 852 CB ASP A 58 2.046 15.099 -0.101 1.00 0.00 C ATOM 853 CG ASP A 58 3.216 16.063 -0.061 1.00 0.00 C ATOM 854 OD1 ASP A 58 4.032 15.967 0.880 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.315 16.912 -0.970 1.00 0.00 O ATOM 0 H ASP A 58 -0.155 13.603 0.780 1.00 0.00 H new ATOM 0 HA ASP A 58 1.828 15.421 2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.420 14.084 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.424 15.323 -0.968 1.00 0.00 H new ATOM 860 N GLY A 59 -0.447 16.662 2.143 1.00 0.00 N ATOM 861 CA GLY A 59 -1.475 17.686 2.118 1.00 0.00 C ATOM 862 C GLY A 59 -2.858 17.113 1.880 1.00 0.00 C ATOM 863 O GLY A 59 -3.571 16.775 2.826 1.00 0.00 O ATOM 0 H GLY A 59 -0.216 16.310 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.467 18.227 3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.245 18.409 1.335 1.00 0.00 H new ATOM 867 N THR A 60 -3.242 17.003 0.611 1.00 0.00 N ATOM 868 CA THR A 60 -4.549 16.470 0.251 1.00 0.00 C ATOM 869 C THR A 60 -4.422 15.100 -0.406 1.00 0.00 C ATOM 870 O THR A 60 -5.360 14.302 -0.389 1.00 0.00 O ATOM 871 CB THR A 60 -5.299 17.417 -0.704 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.510 17.658 -1.874 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.615 18.738 -0.018 1.00 0.00 C ATOM 0 H THR A 60 -2.665 17.277 -0.184 1.00 0.00 H new ATOM 0 HA THR A 60 -5.117 16.375 1.176 1.00 0.00 H new ATOM 0 HB THR A 60 -6.237 16.941 -0.991 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.994 18.260 -2.477 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.145 19.391 -0.712 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.240 18.554 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.687 19.217 0.294 1.00 0.00 H new ATOM 881 N LYS A 61 -3.257 14.832 -0.985 1.00 0.00 N ATOM 882 CA LYS A 61 -3.005 13.558 -1.646 1.00 0.00 C ATOM 883 C LYS A 61 -2.535 12.508 -0.645 1.00 0.00 C ATOM 884 O LYS A 61 -1.854 12.828 0.331 1.00 0.00 O ATOM 885 CB LYS A 61 -1.959 13.730 -2.750 1.00 0.00 C ATOM 886 CG LYS A 61 -2.517 14.328 -4.030 1.00 0.00 C ATOM 887 CD LYS A 61 -1.577 14.111 -5.203 1.00 0.00 C ATOM 888 CE LYS A 61 -1.867 12.798 -5.914 1.00 0.00 C ATOM 889 NZ LYS A 61 -1.514 12.860 -7.360 1.00 0.00 N ATOM 0 H LYS A 61 -2.471 15.482 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.940 13.217 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.156 14.368 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.518 12.759 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.485 13.879 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.686 15.396 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.676 14.937 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.546 14.115 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.305 11.995 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.924 12.554 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.726 11.946 -7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.069 13.609 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.500 13.068 -7.461 1.00 0.00 H new ATOM 903 N CYS A 62 -2.900 11.255 -0.892 1.00 0.00 N ATOM 904 CA CYS A 62 -2.515 10.158 -0.012 1.00 0.00 C ATOM 905 C CYS A 62 -1.805 9.057 -0.793 1.00 0.00 C ATOM 906 O CYS A 62 -1.760 9.086 -2.023 1.00 0.00 O ATOM 907 CB CYS A 62 -3.745 9.586 0.694 1.00 0.00 C ATOM 908 SG CYS A 62 -4.650 10.792 1.692 1.00 0.00 S ATOM 0 H CYS A 62 -3.462 10.973 -1.695 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.826 10.551 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.420 9.170 -0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.432 8.761 1.335 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.496 10.515 2.953 1.00 0.00 H new ATOM 914 N GLU A 63 -1.250 8.089 -0.071 1.00 0.00 N ATOM 915 CA GLU A 63 -0.539 6.981 -0.698 1.00 0.00 C ATOM 916 C GLU A 63 -0.469 5.780 0.241 1.00 0.00 C ATOM 917 O GLU A 63 -0.220 5.926 1.438 1.00 0.00 O ATOM 918 CB GLU A 63 0.873 7.412 -1.098 1.00 0.00 C ATOM 919 CG GLU A 63 1.776 6.253 -1.486 1.00 0.00 C ATOM 920 CD GLU A 63 3.032 6.708 -2.204 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.832 7.446 -1.592 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.214 6.325 -3.379 1.00 0.00 O ATOM 0 H GLU A 63 -1.279 8.049 0.948 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.089 6.690 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.808 8.107 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.327 7.954 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.055 5.699 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.224 5.566 -2.127 1.00 0.00 H new ATOM 929 N LEU A 64 -0.691 4.592 -0.311 1.00 0.00 N ATOM 930 CA LEU A 64 -0.653 3.364 0.476 1.00 0.00 C ATOM 931 C LEU A 64 0.059 2.250 -0.286 1.00 0.00 C ATOM 932 O LEU A 64 -0.390 1.830 -1.352 1.00 0.00 O ATOM 933 CB LEU A 64 -2.073 2.923 0.837 1.00 0.00 C ATOM 934 CG LEU A 64 -2.189 1.627 1.640 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.354 0.435 0.710 1.00 0.00 C ATOM 936 CD2 LEU A 64 -0.973 1.443 2.535 1.00 0.00 C ATOM 0 H LEU A 64 -0.899 4.453 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.097 3.565 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.547 3.723 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.642 2.808 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.074 1.693 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.435 -0.478 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.257 0.562 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.489 0.366 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.073 0.516 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.073 1.399 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.900 2.282 3.227 1.00 0.00 H new ATOM 948 N GLN A 65 1.169 1.777 0.270 1.00 0.00 N ATOM 949 CA GLN A 65 1.942 0.711 -0.356 1.00 0.00 C ATOM 950 C GLN A 65 1.788 -0.597 0.412 1.00 0.00 C ATOM 951 O GLN A 65 1.780 -0.608 1.643 1.00 0.00 O ATOM 952 CB GLN A 65 3.420 1.101 -0.432 1.00 0.00 C ATOM 953 CG GLN A 65 3.789 1.840 -1.708 1.00 0.00 C ATOM 954 CD GLN A 65 5.288 1.949 -1.906 1.00 0.00 C ATOM 955 OE1 GLN A 65 5.919 1.051 -2.465 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.867 3.053 -1.449 1.00 0.00 N ATOM 0 H GLN A 65 1.553 2.115 1.152 1.00 0.00 H new ATOM 0 HA GLN A 65 1.560 0.565 -1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.666 1.728 0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.029 0.201 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.350 1.324 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.356 2.840 -1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.306 3.772 -0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.873 3.182 -1.555 1.00 0.00 H new ATOM 965 N ILE A 66 1.667 -1.698 -0.322 1.00 0.00 N ATOM 966 CA ILE A 66 1.514 -3.012 0.291 1.00 0.00 C ATOM 967 C ILE A 66 2.636 -3.951 -0.136 1.00 0.00 C ATOM 968 O ILE A 66 2.778 -4.270 -1.317 1.00 0.00 O ATOM 969 CB ILE A 66 0.160 -3.649 -0.074 1.00 0.00 C ATOM 970 CG1 ILE A 66 -0.988 -2.712 0.309 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.005 -4.995 0.617 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.223 -2.889 -0.547 1.00 0.00 C ATOM 0 H ILE A 66 1.672 -1.706 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 66 1.558 -2.864 1.370 1.00 0.00 H new ATOM 0 HB ILE A 66 0.129 -3.810 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.252 -2.882 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.646 -1.680 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.957 -5.433 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.808 -5.661 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.053 -4.857 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.996 -2.193 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.975 -2.691 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.590 -3.911 -0.449 1.00 0.00 H new ATOM 984 N ARG A 67 3.431 -4.394 0.833 1.00 0.00 N ATOM 985 CA ARG A 67 4.541 -5.298 0.558 1.00 0.00 C ATOM 986 C ARG A 67 4.112 -6.753 0.729 1.00 0.00 C ATOM 987 O ARG A 67 3.439 -7.102 1.698 1.00 0.00 O ATOM 988 CB ARG A 67 5.719 -4.990 1.484 1.00 0.00 C ATOM 989 CG ARG A 67 6.720 -4.012 0.892 1.00 0.00 C ATOM 990 CD ARG A 67 7.518 -4.646 -0.237 1.00 0.00 C ATOM 991 NE ARG A 67 8.701 -5.347 0.255 1.00 0.00 N ATOM 992 CZ ARG A 67 9.699 -5.741 -0.526 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.658 -5.505 -1.830 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.743 -6.374 -0.004 1.00 0.00 N ATOM 0 H ARG A 67 3.327 -4.141 1.816 1.00 0.00 H new ATOM 0 HA ARG A 67 4.852 -5.148 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.337 -4.584 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.233 -5.920 1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.194 -3.133 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.400 -3.669 1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.883 -5.345 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.822 -3.874 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 67 8.764 -5.545 1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.858 -5.019 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.427 -5.809 -2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.779 -6.558 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.509 -6.676 -0.606 1.00 0.00 H new ATOM 1008 N GLY A 68 4.508 -7.596 -0.219 1.00 0.00 N ATOM 1009 CA GLY A 68 4.155 -9.003 -0.155 1.00 0.00 C ATOM 1010 C GLY A 68 2.840 -9.303 -0.848 1.00 0.00 C ATOM 1011 O GLY A 68 1.956 -9.937 -0.271 1.00 0.00 O ATOM 0 H GLY A 68 5.067 -7.331 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.947 -9.594 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.091 -9.311 0.889 1.00 0.00 H new ATOM 1015 N LEU A 69 2.709 -8.844 -2.088 1.00 0.00 N ATOM 1016 CA LEU A 69 1.492 -9.066 -2.861 1.00 0.00 C ATOM 1017 C LEU A 69 1.312 -10.546 -3.182 1.00 0.00 C ATOM 1018 O LEU A 69 2.022 -11.100 -4.021 1.00 0.00 O ATOM 1019 CB LEU A 69 1.532 -8.253 -4.156 1.00 0.00 C ATOM 1020 CG LEU A 69 1.214 -6.763 -4.024 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.481 -6.042 -5.335 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.230 -6.563 -3.588 1.00 0.00 C ATOM 0 H LEU A 69 3.430 -8.316 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 69 0.644 -8.739 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.525 -8.355 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.826 -8.694 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 69 1.866 -6.338 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.249 -4.983 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.531 -6.157 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.855 -6.469 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.439 -5.497 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.898 -7.003 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.389 -7.046 -2.624 1.00 0.00 H new ATOM 1034 N ALA A 70 0.357 -11.180 -2.509 1.00 0.00 N ATOM 1035 CA ALA A 70 0.081 -12.595 -2.726 1.00 0.00 C ATOM 1036 C ALA A 70 -1.383 -12.820 -3.088 1.00 0.00 C ATOM 1037 O ALA A 70 -2.220 -11.937 -2.903 1.00 0.00 O ATOM 1038 CB ALA A 70 0.451 -13.400 -1.488 1.00 0.00 C ATOM 0 H ALA A 70 -0.238 -10.736 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 70 0.691 -12.935 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.240 -14.455 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.512 -13.273 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.134 -13.049 -0.638 1.00 0.00 H new ATOM 1044 N MET A 71 -1.684 -14.006 -3.605 1.00 0.00 N ATOM 1045 CA MET A 71 -3.049 -14.346 -3.992 1.00 0.00 C ATOM 1046 C MET A 71 -4.041 -13.929 -2.911 1.00 0.00 C ATOM 1047 O MET A 71 -5.189 -13.597 -3.205 1.00 0.00 O ATOM 1048 CB MET A 71 -3.167 -15.848 -4.257 1.00 0.00 C ATOM 1049 CG MET A 71 -2.509 -16.290 -5.555 1.00 0.00 C ATOM 1050 SD MET A 71 -3.644 -16.255 -6.956 1.00 0.00 S ATOM 1051 CE MET A 71 -3.270 -14.648 -7.654 1.00 0.00 C ATOM 0 H MET A 71 -1.002 -14.748 -3.766 1.00 0.00 H new ATOM 0 HA MET A 71 -3.287 -13.803 -4.907 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.716 -16.392 -3.427 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.222 -16.122 -4.282 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.658 -15.642 -5.765 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.118 -17.300 -5.434 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.074 -14.752 -8.721 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.118 -13.980 -7.504 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.390 -14.233 -7.162 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.590 -13.949 -1.661 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.438 -13.572 -0.537 1.00 0.00 C ATOM 1063 C ALA A 72 -4.746 -12.078 -0.560 1.00 0.00 C ATOM 1064 O ALA A 72 -5.887 -11.667 -0.346 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.775 -13.956 0.777 1.00 0.00 C ATOM 0 H ALA A 72 -2.642 -14.222 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.380 -14.113 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.420 -13.668 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.611 -15.033 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.818 -13.442 0.866 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.723 -11.272 -0.819 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.885 -9.823 -0.870 1.00 0.00 C ATOM 1073 C ASP A 73 -5.002 -9.435 -1.834 1.00 0.00 C ATOM 1074 O ASP A 73 -5.710 -8.451 -1.618 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.575 -9.157 -1.292 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.513 -9.233 -0.213 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.235 -10.352 0.267 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.959 -8.174 0.151 1.00 0.00 O ATOM 0 H ASP A 73 -2.773 -11.597 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.154 -9.476 0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.203 -9.635 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.765 -8.112 -1.538 1.00 0.00 H new ATOM 1083 N THR A 74 -5.154 -10.214 -2.900 1.00 0.00 N ATOM 1084 CA THR A 74 -6.183 -9.951 -3.899 1.00 0.00 C ATOM 1085 C THR A 74 -7.539 -9.717 -3.243 1.00 0.00 C ATOM 1086 O THR A 74 -8.085 -10.605 -2.590 1.00 0.00 O ATOM 1087 CB THR A 74 -6.304 -11.114 -4.901 1.00 0.00 C ATOM 1088 OG1 THR A 74 -5.004 -11.510 -5.352 1.00 0.00 O ATOM 1089 CG2 THR A 74 -7.160 -10.715 -6.093 1.00 0.00 C ATOM 0 H THR A 74 -4.577 -11.033 -3.094 1.00 0.00 H new ATOM 0 HA THR A 74 -5.881 -9.051 -4.434 1.00 0.00 H new ATOM 0 HB THR A 74 -6.783 -11.952 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.628 -12.168 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.231 -11.553 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.158 -10.443 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.706 -9.863 -6.598 1.00 0.00 H new ATOM 1097 N GLY A 75 -8.078 -8.514 -3.421 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.366 -8.185 -2.840 1.00 0.00 C ATOM 1099 C GLY A 75 -9.860 -6.815 -3.262 1.00 0.00 C ATOM 1100 O GLY A 75 -9.802 -6.464 -4.439 1.00 0.00 O ATOM 0 H GLY A 75 -7.645 -7.762 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.097 -8.938 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.291 -8.222 -1.753 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.347 -6.041 -2.297 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.855 -4.703 -2.576 1.00 0.00 C ATOM 1106 C GLU A 76 -10.461 -3.730 -1.468 1.00 0.00 C ATOM 1107 O GLU A 76 -10.875 -3.881 -0.318 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.377 -4.732 -2.727 1.00 0.00 C ATOM 1109 CG GLU A 76 -13.003 -3.353 -2.849 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.519 -3.397 -2.836 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -15.101 -3.460 -1.734 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -15.122 -3.368 -3.929 1.00 0.00 O ATOM 0 H GLU A 76 -10.400 -6.317 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.411 -4.361 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.635 -5.318 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.809 -5.243 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.654 -2.726 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.665 -2.885 -3.774 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.659 -2.733 -1.823 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.206 -1.736 -0.859 1.00 0.00 C ATOM 1121 C TYR A 77 -10.027 -0.456 -0.973 1.00 0.00 C ATOM 1122 O TYR A 77 -10.383 -0.028 -2.071 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.724 -1.426 -1.073 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.821 -2.623 -0.885 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.820 -3.668 -1.801 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.969 -2.711 0.209 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.997 -4.765 -1.633 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.142 -3.804 0.385 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.160 -4.828 -0.539 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.338 -5.918 -0.367 1.00 0.00 O ATOM 0 H TYR A 77 -9.309 -2.593 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.343 -2.146 0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.586 -1.032 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.422 -0.641 -0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.474 -3.622 -2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.953 -1.911 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.009 -5.569 -2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.485 -3.856 1.241 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.767 -6.714 -0.744 1.00 0.00 H new ATOM 1140 N SER A 78 -10.325 0.153 0.171 1.00 0.00 N ATOM 1141 CA SER A 78 -11.106 1.383 0.201 1.00 0.00 C ATOM 1142 C SER A 78 -10.467 2.411 1.130 1.00 0.00 C ATOM 1143 O SER A 78 -10.218 2.132 2.304 1.00 0.00 O ATOM 1144 CB SER A 78 -12.538 1.092 0.654 1.00 0.00 C ATOM 1145 OG SER A 78 -13.014 -0.119 0.092 1.00 0.00 O ATOM 0 H SER A 78 -10.037 -0.186 1.089 1.00 0.00 H new ATOM 0 HA SER A 78 -11.127 1.794 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.573 1.031 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.190 1.914 0.360 1.00 0.00 H new ATOM 0 HG SER A 78 -13.930 -0.284 0.398 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.203 3.598 0.597 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.591 4.668 1.376 1.00 0.00 C ATOM 1153 C CYS A 79 -10.655 5.594 1.958 1.00 0.00 C ATOM 1154 O CYS A 79 -11.180 6.466 1.266 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.620 5.469 0.508 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.268 6.239 1.429 1.00 0.00 S ATOM 0 H CYS A 79 -10.403 3.844 -0.372 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.040 4.214 2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.199 4.809 -0.251 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.176 6.246 -0.018 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.136 5.724 1.050 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.969 5.397 3.234 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.971 6.213 3.910 1.00 0.00 C ATOM 1164 C VAL A 80 -11.331 7.417 4.591 1.00 0.00 C ATOM 1165 O VAL A 80 -10.296 7.294 5.247 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.747 5.396 4.960 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.072 6.067 5.287 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.967 3.973 4.470 1.00 0.00 C ATOM 0 H VAL A 80 -10.544 4.679 3.821 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.666 6.558 3.144 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.154 5.354 5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.606 5.475 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.886 7.065 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.675 6.142 4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.517 3.409 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.539 3.992 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.003 3.496 4.292 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.952 8.580 4.431 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.443 9.808 5.031 1.00 0.00 C ATOM 1180 C CYS A 81 -12.325 10.252 6.194 1.00 0.00 C ATOM 1181 O CYS A 81 -11.829 10.607 7.263 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.364 10.918 3.982 1.00 0.00 C ATOM 1183 SG CYS A 81 -11.602 12.582 4.649 1.00 0.00 S ATOM 0 H CYS A 81 -12.809 8.699 3.891 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.442 9.608 5.414 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.392 10.871 3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -12.117 10.734 3.216 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.638 13.130 4.088 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.636 10.231 5.977 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.566 10.636 7.015 1.00 0.00 C ATOM 1191 C GLY A 82 -16.003 10.295 6.671 1.00 0.00 C ATOM 1192 O GLY A 82 -16.629 9.472 7.339 1.00 0.00 O ATOM 0 H GLY A 82 -14.071 9.941 5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.295 10.149 7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.480 11.710 7.177 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.526 10.930 5.627 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.899 10.690 5.198 1.00 0.00 C ATOM 1198 C GLN A 83 -17.934 9.835 3.936 1.00 0.00 C ATOM 1199 O GLN A 83 -18.773 8.945 3.801 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.617 12.018 4.949 1.00 0.00 C ATOM 1201 CG GLN A 83 -19.016 12.743 6.224 1.00 0.00 C ATOM 1202 CD GLN A 83 -20.006 11.954 7.058 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -21.124 11.680 6.622 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -19.599 11.583 8.267 1.00 0.00 N ATOM 0 H GLN A 83 -16.021 11.614 5.063 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.413 10.151 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.969 12.667 4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.510 11.832 4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.124 12.943 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -19.451 13.709 5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -18.664 11.832 8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.222 11.050 8.873 1.00 0.00 H new ATOM 1213 N GLU A 84 -17.017 10.112 3.014 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.944 9.368 1.762 1.00 0.00 C ATOM 1215 C GLU A 84 -15.611 8.635 1.641 1.00 0.00 C ATOM 1216 O GLU A 84 -14.695 8.858 2.432 1.00 0.00 O ATOM 1217 CB GLU A 84 -17.131 10.310 0.571 1.00 0.00 C ATOM 1218 CG GLU A 84 -16.207 11.516 0.599 1.00 0.00 C ATOM 1219 CD GLU A 84 -16.723 12.665 -0.245 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -16.540 12.625 -1.479 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -17.310 13.605 0.331 1.00 0.00 O ATOM 0 H GLU A 84 -16.315 10.846 3.111 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.746 8.630 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.962 9.754 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.165 10.655 0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.086 11.852 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.220 11.222 0.241 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.512 7.761 0.645 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.292 6.994 0.421 1.00 0.00 C ATOM 1230 C ARG A 85 -14.250 6.443 -1.001 1.00 0.00 C ATOM 1231 O ARG A 85 -15.245 6.488 -1.726 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.193 5.846 1.428 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.020 4.629 1.046 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.431 4.716 1.605 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.436 4.884 3.056 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.540 4.866 3.794 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -18.722 4.687 3.221 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -17.462 5.026 5.109 1.00 0.00 N ATOM 0 H ARG A 85 -16.261 7.566 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.442 7.662 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.149 5.549 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.517 6.203 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.062 4.543 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.535 3.727 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.953 5.553 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.981 3.812 1.343 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.543 5.023 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.785 4.563 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.568 4.674 3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -16.554 5.163 5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.310 5.012 5.676 1.00 0.00 H new ATOM 1252 N THR A 86 -13.092 5.922 -1.395 1.00 0.00 N ATOM 1253 CA THR A 86 -12.920 5.363 -2.730 1.00 0.00 C ATOM 1254 C THR A 86 -12.572 3.880 -2.665 1.00 0.00 C ATOM 1255 O THR A 86 -12.503 3.296 -1.584 1.00 0.00 O ATOM 1256 CB THR A 86 -11.817 6.103 -3.510 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.779 5.639 -4.864 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.459 5.894 -2.858 1.00 0.00 C ATOM 0 H THR A 86 -12.259 5.876 -0.808 1.00 0.00 H new ATOM 0 HA THR A 86 -13.870 5.488 -3.250 1.00 0.00 H new ATOM 0 HB THR A 86 -12.047 7.168 -3.498 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.693 5.566 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.697 6.426 -3.427 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.483 6.276 -1.837 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.223 4.830 -2.842 1.00 0.00 H new ATOM 1266 N SER A 87 -12.354 3.277 -3.829 1.00 0.00 N ATOM 1267 CA SER A 87 -12.017 1.860 -3.904 1.00 0.00 C ATOM 1268 C SER A 87 -11.336 1.534 -5.230 1.00 0.00 C ATOM 1269 O SER A 87 -11.563 2.201 -6.238 1.00 0.00 O ATOM 1270 CB SER A 87 -13.275 1.005 -3.740 1.00 0.00 C ATOM 1271 OG SER A 87 -14.366 1.560 -4.454 1.00 0.00 O ATOM 0 H SER A 87 -12.405 3.747 -4.733 1.00 0.00 H new ATOM 0 HA SER A 87 -11.324 1.633 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.080 -0.006 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.530 0.927 -2.683 1.00 0.00 H new ATOM 0 HG SER A 87 -15.157 0.994 -4.334 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.499 0.501 -5.219 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.786 0.084 -6.420 1.00 0.00 C ATOM 1279 C ALA A 88 -9.403 -1.391 -6.346 1.00 0.00 C ATOM 1280 O ALA A 88 -8.476 -1.766 -5.629 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.547 0.943 -6.623 1.00 0.00 C ATOM 0 H ALA A 88 -10.298 -0.062 -4.392 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.451 0.218 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.024 0.621 -7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.841 1.987 -6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.886 0.838 -5.763 1.00 0.00 H new ATOM 1287 N MET A 89 -10.124 -2.222 -7.092 1.00 0.00 N ATOM 1288 CA MET A 89 -9.858 -3.656 -7.111 1.00 0.00 C ATOM 1289 C MET A 89 -8.379 -3.932 -7.363 1.00 0.00 C ATOM 1290 O MET A 89 -7.790 -3.401 -8.305 1.00 0.00 O ATOM 1291 CB MET A 89 -10.707 -4.339 -8.185 1.00 0.00 C ATOM 1292 CG MET A 89 -12.136 -4.613 -7.747 1.00 0.00 C ATOM 1293 SD MET A 89 -12.226 -5.676 -6.293 1.00 0.00 S ATOM 1294 CE MET A 89 -11.495 -7.182 -6.929 1.00 0.00 C ATOM 0 H MET A 89 -10.896 -1.928 -7.690 1.00 0.00 H new ATOM 0 HA MET A 89 -10.123 -4.063 -6.135 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.723 -3.712 -9.077 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.235 -5.281 -8.465 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.634 -3.667 -7.532 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.680 -5.080 -8.568 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.760 -8.017 -6.281 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.869 -7.371 -7.935 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.411 -7.076 -6.959 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.784 -4.763 -6.515 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.373 -5.110 -6.645 1.00 0.00 C ATOM 1306 C LEU A 90 -6.208 -6.547 -7.129 1.00 0.00 C ATOM 1307 O LEU A 90 -6.646 -7.490 -6.469 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.656 -4.924 -5.307 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.299 -5.615 -5.171 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.353 -5.154 -6.269 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.699 -5.346 -3.799 1.00 0.00 C ATOM 0 H LEU A 90 -8.257 -5.210 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.927 -4.444 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.516 -3.856 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.308 -5.290 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.448 -6.690 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.392 -5.656 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.778 -5.399 -7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.209 -4.076 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.733 -5.845 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.564 -4.273 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.369 -5.727 -3.028 1.00 0.00 H new ATOM 1323 N THR A 91 -5.570 -6.707 -8.284 1.00 0.00 N ATOM 1324 CA THR A 91 -5.346 -8.029 -8.856 1.00 0.00 C ATOM 1325 C THR A 91 -3.883 -8.439 -8.734 1.00 0.00 C ATOM 1326 O THR A 91 -2.994 -7.772 -9.263 1.00 0.00 O ATOM 1327 CB THR A 91 -5.758 -8.077 -10.339 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.181 -7.964 -10.456 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.292 -9.372 -10.989 1.00 0.00 C ATOM 0 H THR A 91 -5.199 -5.938 -8.842 1.00 0.00 H new ATOM 0 HA THR A 91 -5.965 -8.727 -8.292 1.00 0.00 H new ATOM 0 HB THR A 91 -5.284 -7.240 -10.852 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.435 -7.994 -11.402 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.595 -9.383 -12.036 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.206 -9.441 -10.924 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.741 -10.220 -10.473 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.638 -9.542 -8.033 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.282 -10.042 -7.842 1.00 0.00 C ATOM 1339 C VAL A 92 -1.999 -11.225 -8.762 1.00 0.00 C ATOM 1340 O VAL A 92 -2.198 -12.380 -8.385 1.00 0.00 O ATOM 1341 CB VAL A 92 -2.042 -10.473 -6.383 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.643 -11.045 -6.218 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.262 -9.300 -5.439 1.00 0.00 C ATOM 0 H VAL A 92 -4.362 -10.106 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.605 -9.223 -8.087 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.759 -11.254 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.492 -11.344 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.526 -11.913 -6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.094 -10.288 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.088 -9.622 -4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.569 -8.496 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.286 -8.940 -5.538 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.532 -10.928 -9.971 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.222 -11.967 -10.946 1.00 0.00 C ATOM 1355 C ARG A 93 -0.156 -12.916 -10.407 1.00 0.00 C ATOM 1356 O ARG A 93 1.016 -12.556 -10.305 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.746 -11.339 -12.257 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.835 -10.586 -13.003 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.866 -11.536 -13.592 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.517 -11.948 -14.949 1.00 0.00 N ATOM 1361 CZ ARG A 93 -2.823 -11.243 -16.033 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -3.480 -10.097 -15.919 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -2.471 -11.684 -17.234 1.00 0.00 N ATOM 0 H ARG A 93 -1.360 -9.977 -10.298 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.131 -12.538 -11.134 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.076 -10.656 -12.045 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.351 -12.123 -12.903 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.327 -9.889 -12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.388 -9.993 -13.801 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.952 -12.417 -12.956 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.843 -11.052 -13.600 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.011 -12.825 -15.071 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.752 -9.754 -14.997 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.714 -9.558 -16.753 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.965 -12.565 -17.326 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.706 -11.142 -18.065 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.571 -14.131 -10.065 1.00 0.00 N ATOM 1378 CA ALA A 94 0.348 -15.133 -9.539 1.00 0.00 C ATOM 1379 C ALA A 94 1.519 -15.356 -10.489 1.00 0.00 C ATOM 1380 O ALA A 94 1.356 -15.331 -11.709 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.386 -16.442 -9.286 1.00 0.00 C ATOM 0 H ALA A 94 -1.538 -14.446 -10.143 1.00 0.00 H new ATOM 0 HA ALA A 94 0.746 -14.764 -8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.313 -17.181 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.185 -16.277 -8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.812 -16.807 -10.221 1.00 0.00 H new ATOM 1387 N LEU A 95 2.701 -15.573 -9.922 1.00 0.00 N ATOM 1388 CA LEU A 95 3.902 -15.800 -10.719 1.00 0.00 C ATOM 1389 C LEU A 95 3.881 -17.189 -11.351 1.00 0.00 C ATOM 1390 O LEU A 95 3.347 -18.145 -10.789 1.00 0.00 O ATOM 1391 CB LEU A 95 5.151 -15.640 -9.852 1.00 0.00 C ATOM 1392 CG LEU A 95 5.504 -14.210 -9.440 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.559 -14.215 -8.344 1.00 0.00 C ATOM 1394 CD2 LEU A 95 5.985 -13.412 -10.643 1.00 0.00 C ATOM 0 H LEU A 95 2.853 -15.597 -8.914 1.00 0.00 H new ATOM 0 HA LEU A 95 3.925 -15.058 -11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.020 -16.235 -8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.999 -16.061 -10.391 1.00 0.00 H new ATOM 0 HG LEU A 95 4.606 -13.733 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.797 -13.189 -8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.177 -14.749 -7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.459 -14.710 -8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.232 -12.397 -10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.871 -13.888 -11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.198 -13.379 -11.396 1.00 0.00 H new