USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 41 SER OG : rot 33:sc= 0.572 USER MOD Single : A 49 HIS : no HD1:sc= -6.21! C(o=-6.2!,f=-7.5!) USER MOD Single : A 50 ASN : amide:sc= -0.0963 K(o=-0.096,f=-1.6) USER MOD Single : A 58 HIS : no HD1:sc= -1.47! C(o=-1.5!,f=-6.3!) USER MOD Single : A 59 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.41) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.624 11.427 1.193 1.00 0.00 N ATOM 82 CA PRO A 9 -0.532 9.987 0.934 1.00 0.00 C ATOM 83 C PRO A 9 -1.008 9.619 -0.468 1.00 0.00 C ATOM 84 O PRO A 9 -1.633 10.429 -1.154 1.00 0.00 O ATOM 85 CB PRO A 9 -1.456 9.377 1.990 1.00 0.00 C ATOM 86 CG PRO A 9 -2.431 10.457 2.310 1.00 0.00 C ATOM 87 CD PRO A 9 -1.677 11.750 2.170 1.00 0.00 C ATOM 0 HA PRO A 9 0.496 9.628 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.960 8.489 1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.898 9.072 2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.283 10.427 1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.824 10.342 3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.321 12.554 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.256 12.075 3.122 1.00 0.00 H new ATOM 95 N ILE A 10 -0.711 8.394 -0.886 1.00 0.00 N ATOM 96 CA ILE A 10 -1.110 7.919 -2.204 1.00 0.00 C ATOM 97 C ILE A 10 -2.115 6.777 -2.096 1.00 0.00 C ATOM 98 O ILE A 10 -1.810 5.720 -1.545 1.00 0.00 O ATOM 99 CB ILE A 10 0.104 7.444 -3.024 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.195 8.517 -3.030 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.317 7.100 -4.445 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.537 8.013 -3.512 1.00 0.00 C ATOM 0 H ILE A 10 -0.195 7.712 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.575 8.762 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 10 0.508 6.545 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.877 9.343 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.307 8.915 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.552 6.766 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.062 6.305 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.744 7.983 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.261 8.827 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.877 7.207 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.441 7.641 -4.532 1.00 0.00 H new ATOM 114 N GLU A 11 -3.313 6.997 -2.629 1.00 0.00 N ATOM 115 CA GLU A 11 -4.362 5.985 -2.593 1.00 0.00 C ATOM 116 C GLU A 11 -4.115 4.908 -3.645 1.00 0.00 C ATOM 117 O GLU A 11 -4.189 5.169 -4.845 1.00 0.00 O ATOM 118 CB GLU A 11 -5.731 6.630 -2.818 1.00 0.00 C ATOM 119 CG GLU A 11 -6.412 7.078 -1.536 1.00 0.00 C ATOM 120 CD GLU A 11 -7.516 8.088 -1.783 1.00 0.00 C ATOM 121 OE1 GLU A 11 -7.205 9.207 -2.241 1.00 0.00 O ATOM 122 OE2 GLU A 11 -8.691 7.757 -1.520 1.00 0.00 O ATOM 0 H GLU A 11 -3.581 7.866 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.347 5.517 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.614 7.490 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.377 5.920 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.828 6.208 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.669 7.514 -0.868 1.00 0.00 H new ATOM 129 N ALA A 12 -3.821 3.696 -3.185 1.00 0.00 N ATOM 130 CA ALA A 12 -3.565 2.579 -4.085 1.00 0.00 C ATOM 131 C ALA A 12 -4.685 1.547 -4.012 1.00 0.00 C ATOM 132 O ALA A 12 -5.615 1.682 -3.216 1.00 0.00 O ATOM 133 CB ALA A 12 -2.227 1.933 -3.757 1.00 0.00 C ATOM 0 H ALA A 12 -3.754 3.463 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.529 2.966 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.049 1.100 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.431 2.669 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.242 1.567 -2.731 1.00 0.00 H new ATOM 139 N ILE A 13 -4.590 0.517 -4.846 1.00 0.00 N ATOM 140 CA ILE A 13 -5.596 -0.537 -4.875 1.00 0.00 C ATOM 141 C ILE A 13 -4.947 -1.917 -4.834 1.00 0.00 C ATOM 142 O ILE A 13 -3.996 -2.188 -5.567 1.00 0.00 O ATOM 143 CB ILE A 13 -6.482 -0.436 -6.130 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.160 0.934 -6.194 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.520 -1.548 -6.137 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.087 1.204 -5.029 1.00 0.00 C ATOM 0 H ILE A 13 -3.827 0.390 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.218 -0.404 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.851 -0.549 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.394 1.709 -6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.726 1.008 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.138 -1.463 -7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.017 -2.515 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.149 -1.464 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.533 2.193 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.875 0.451 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.522 1.163 -4.098 1.00 0.00 H new ATOM 158 N ALA A 14 -5.469 -2.785 -3.974 1.00 0.00 N ATOM 159 CA ALA A 14 -4.943 -4.138 -3.841 1.00 0.00 C ATOM 160 C ALA A 14 -5.019 -4.890 -5.166 1.00 0.00 C ATOM 161 O ALA A 14 -6.098 -5.058 -5.735 1.00 0.00 O ATOM 162 CB ALA A 14 -5.700 -4.894 -2.759 1.00 0.00 C ATOM 0 H ALA A 14 -6.255 -2.576 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.894 -4.067 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.297 -5.903 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.590 -4.374 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.756 -4.947 -3.023 1.00 0.00 H new ATOM 168 N LYS A 15 -3.868 -5.340 -5.652 1.00 0.00 N ATOM 169 CA LYS A 15 -3.803 -6.075 -6.910 1.00 0.00 C ATOM 170 C LYS A 15 -4.305 -7.504 -6.732 1.00 0.00 C ATOM 171 O LYS A 15 -5.006 -8.038 -7.591 1.00 0.00 O ATOM 172 CB LYS A 15 -2.368 -6.089 -7.443 1.00 0.00 C ATOM 173 CG LYS A 15 -2.060 -4.944 -8.391 1.00 0.00 C ATOM 174 CD LYS A 15 -2.366 -5.316 -9.833 1.00 0.00 C ATOM 175 CE LYS A 15 -1.158 -5.939 -10.515 1.00 0.00 C ATOM 176 NZ LYS A 15 -0.207 -4.906 -11.011 1.00 0.00 N ATOM 0 H LYS A 15 -2.966 -5.209 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.446 -5.570 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.676 -6.049 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.190 -7.033 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.645 -4.069 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.009 -4.668 -8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.202 -6.015 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.677 -4.427 -10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.645 -6.598 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.490 -6.557 -11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.603 -5.371 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.689 -4.292 -11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.130 -4.332 -10.212 1.00 0.00 H new ATOM 190 N PHE A 16 -3.941 -8.118 -5.611 1.00 0.00 N ATOM 191 CA PHE A 16 -4.355 -9.486 -5.319 1.00 0.00 C ATOM 192 C PHE A 16 -4.408 -9.729 -3.814 1.00 0.00 C ATOM 193 O PHE A 16 -3.613 -9.174 -3.056 1.00 0.00 O ATOM 194 CB PHE A 16 -3.397 -10.482 -5.975 1.00 0.00 C ATOM 195 CG PHE A 16 -2.853 -10.012 -7.294 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.621 -10.096 -8.444 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.575 -9.485 -7.384 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.124 -9.664 -9.659 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.072 -9.052 -8.596 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.848 -9.141 -9.735 1.00 0.00 C ATOM 0 H PHE A 16 -3.360 -7.690 -4.890 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.355 -9.632 -5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.566 -10.675 -5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.915 -11.430 -6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.620 -10.504 -8.390 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.964 -9.412 -6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.733 -9.735 -10.548 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.073 -8.645 -8.653 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.458 -8.802 -10.683 1.00 0.00 H new ATOM 210 N ASP A 17 -5.351 -10.563 -3.389 1.00 0.00 N ATOM 211 CA ASP A 17 -5.509 -10.881 -1.974 1.00 0.00 C ATOM 212 C ASP A 17 -4.161 -11.201 -1.336 1.00 0.00 C ATOM 213 O ASP A 17 -3.566 -12.245 -1.607 1.00 0.00 O ATOM 214 CB ASP A 17 -6.464 -12.063 -1.799 1.00 0.00 C ATOM 215 CG ASP A 17 -6.051 -13.268 -2.622 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.830 -13.106 -3.840 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.950 -14.372 -2.047 1.00 0.00 O ATOM 0 H ASP A 17 -6.017 -11.031 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.929 -10.008 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.503 -12.342 -0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.471 -11.759 -2.086 1.00 0.00 H new ATOM 222 N TYR A 18 -3.684 -10.296 -0.488 1.00 0.00 N ATOM 223 CA TYR A 18 -2.405 -10.480 0.187 1.00 0.00 C ATOM 224 C TYR A 18 -2.597 -10.603 1.695 1.00 0.00 C ATOM 225 O TYR A 18 -3.480 -9.970 2.274 1.00 0.00 O ATOM 226 CB TYR A 18 -1.467 -9.313 -0.126 1.00 0.00 C ATOM 227 CG TYR A 18 -0.036 -9.557 0.295 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.835 -10.274 -0.517 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.446 -9.071 1.504 1.00 0.00 C ATOM 230 CE1 TYR A 18 2.144 -10.500 -0.136 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.754 -9.291 1.892 1.00 0.00 C ATOM 232 CZ TYR A 18 2.598 -10.006 1.069 1.00 0.00 C ATOM 233 OH TYR A 18 3.901 -10.228 1.452 1.00 0.00 O ATOM 0 H TYR A 18 -4.164 -9.428 -0.252 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.959 -11.404 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.493 -9.114 -1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.836 -8.417 0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.483 -10.661 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.213 -8.512 2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.808 -11.060 -0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.113 -8.905 2.835 1.00 0.00 H new ATOM 0 HH TYR A 18 4.469 -10.294 0.656 1.00 0.00 H new ATOM 243 N VAL A 19 -1.763 -11.423 2.327 1.00 0.00 N ATOM 244 CA VAL A 19 -1.838 -11.629 3.768 1.00 0.00 C ATOM 245 C VAL A 19 -0.466 -11.479 4.417 1.00 0.00 C ATOM 246 O VAL A 19 0.380 -12.367 4.317 1.00 0.00 O ATOM 247 CB VAL A 19 -2.405 -13.020 4.107 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.559 -14.112 3.470 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.486 -13.209 5.615 1.00 0.00 C ATOM 0 H VAL A 19 -1.027 -11.956 1.863 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.509 -10.866 4.163 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.414 -13.091 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.975 -15.088 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.557 -13.986 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.538 -14.046 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.889 -14.197 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.489 -13.118 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.138 -12.447 6.043 1.00 0.00 H new ATOM 259 N GLY A 20 -0.253 -10.349 5.083 1.00 0.00 N ATOM 260 CA GLY A 20 1.018 -10.103 5.740 1.00 0.00 C ATOM 261 C GLY A 20 1.494 -11.295 6.547 1.00 0.00 C ATOM 262 O GLY A 20 1.038 -11.515 7.669 1.00 0.00 O ATOM 0 H GLY A 20 -0.938 -9.599 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.769 -9.853 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.923 -9.238 6.397 1.00 0.00 H new ATOM 266 N ARG A 21 2.411 -12.067 5.973 1.00 0.00 N ATOM 267 CA ARG A 21 2.946 -13.245 6.646 1.00 0.00 C ATOM 268 C ARG A 21 3.473 -12.887 8.032 1.00 0.00 C ATOM 269 O ARG A 21 3.432 -13.702 8.954 1.00 0.00 O ATOM 270 CB ARG A 21 4.064 -13.872 5.810 1.00 0.00 C ATOM 271 CG ARG A 21 3.589 -14.426 4.476 1.00 0.00 C ATOM 272 CD ARG A 21 4.619 -15.362 3.864 1.00 0.00 C ATOM 273 NE ARG A 21 5.722 -14.632 3.245 1.00 0.00 N ATOM 274 CZ ARG A 21 6.810 -15.219 2.758 1.00 0.00 C ATOM 275 NH1 ARG A 21 6.939 -16.538 2.817 1.00 0.00 N ATOM 276 NH2 ARG A 21 7.771 -14.487 2.209 1.00 0.00 N ATOM 0 H ARG A 21 2.799 -11.898 5.045 1.00 0.00 H new ATOM 0 HA ARG A 21 2.137 -13.967 6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.835 -13.123 5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.528 -14.675 6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.649 -14.959 4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.390 -13.603 3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.011 -16.025 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.137 -15.993 3.117 1.00 0.00 H new ATOM 0 HE ARG A 21 5.653 -13.616 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.202 -17.104 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.775 -16.986 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.675 -13.473 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.606 -14.939 1.835 1.00 0.00 H new ATOM 290 N THR A 22 3.970 -11.661 8.173 1.00 0.00 N ATOM 291 CA THR A 22 4.507 -11.196 9.445 1.00 0.00 C ATOM 292 C THR A 22 3.662 -10.062 10.016 1.00 0.00 C ATOM 293 O THR A 22 2.738 -9.576 9.366 1.00 0.00 O ATOM 294 CB THR A 22 5.962 -10.713 9.298 1.00 0.00 C ATOM 295 OG1 THR A 22 6.030 -9.647 8.344 1.00 0.00 O ATOM 296 CG2 THR A 22 6.869 -11.853 8.858 1.00 0.00 C ATOM 0 H THR A 22 4.011 -10.973 7.421 1.00 0.00 H new ATOM 0 HA THR A 22 4.482 -12.045 10.128 1.00 0.00 H new ATOM 0 HB THR A 22 6.302 -10.353 10.269 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.958 -9.344 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.891 -11.488 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.837 -12.650 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.529 -12.239 7.897 1.00 0.00 H new ATOM 304 N ALA A 23 3.987 -9.645 11.235 1.00 0.00 N ATOM 305 CA ALA A 23 3.260 -8.566 11.893 1.00 0.00 C ATOM 306 C ALA A 23 3.406 -7.257 11.123 1.00 0.00 C ATOM 307 O ALA A 23 2.437 -6.518 10.949 1.00 0.00 O ATOM 308 CB ALA A 23 3.747 -8.396 13.324 1.00 0.00 C ATOM 0 H ALA A 23 4.749 -10.038 11.787 1.00 0.00 H new ATOM 0 HA ALA A 23 2.203 -8.831 11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.195 -7.587 13.802 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.585 -9.322 13.876 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.811 -8.157 13.320 1.00 0.00 H new ATOM 314 N ARG A 24 4.622 -6.977 10.667 1.00 0.00 N ATOM 315 CA ARG A 24 4.895 -5.756 9.918 1.00 0.00 C ATOM 316 C ARG A 24 3.994 -5.659 8.690 1.00 0.00 C ATOM 317 O ARG A 24 3.377 -4.624 8.443 1.00 0.00 O ATOM 318 CB ARG A 24 6.363 -5.712 9.491 1.00 0.00 C ATOM 319 CG ARG A 24 7.291 -5.156 10.559 1.00 0.00 C ATOM 320 CD ARG A 24 7.767 -6.246 11.506 1.00 0.00 C ATOM 321 NE ARG A 24 6.843 -6.447 12.619 1.00 0.00 N ATOM 322 CZ ARG A 24 6.569 -5.514 13.524 1.00 0.00 C ATOM 323 NH1 ARG A 24 7.145 -4.323 13.448 1.00 0.00 N ATOM 324 NH2 ARG A 24 5.716 -5.772 14.507 1.00 0.00 N ATOM 0 H ARG A 24 5.434 -7.579 10.803 1.00 0.00 H new ATOM 0 HA ARG A 24 4.687 -4.906 10.568 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.687 -6.719 9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.453 -5.104 8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.151 -4.683 10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.773 -4.381 11.125 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.880 -7.180 10.956 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.751 -5.984 11.895 1.00 0.00 H new ATOM 0 HE ARG A 24 6.383 -7.353 12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.801 -4.121 12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.933 -3.608 14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.270 -6.687 14.568 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.506 -5.055 15.201 1.00 0.00 H new ATOM 338 N GLU A 25 3.925 -6.744 7.926 1.00 0.00 N ATOM 339 CA GLU A 25 3.100 -6.780 6.723 1.00 0.00 C ATOM 340 C GLU A 25 1.626 -6.594 7.069 1.00 0.00 C ATOM 341 O GLU A 25 1.192 -6.908 8.178 1.00 0.00 O ATOM 342 CB GLU A 25 3.299 -8.103 5.981 1.00 0.00 C ATOM 343 CG GLU A 25 4.739 -8.361 5.571 1.00 0.00 C ATOM 344 CD GLU A 25 4.996 -9.815 5.226 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.026 -10.523 4.884 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.166 -10.245 5.300 1.00 0.00 O ATOM 0 H GLU A 25 4.430 -7.609 8.118 1.00 0.00 H new ATOM 0 HA GLU A 25 3.409 -5.959 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.959 -8.921 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.670 -8.109 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.985 -7.738 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.403 -8.061 6.382 1.00 0.00 H new ATOM 353 N LEU A 26 0.860 -6.081 6.112 1.00 0.00 N ATOM 354 CA LEU A 26 -0.566 -5.852 6.314 1.00 0.00 C ATOM 355 C LEU A 26 -1.396 -6.753 5.405 1.00 0.00 C ATOM 356 O LEU A 26 -1.155 -6.828 4.200 1.00 0.00 O ATOM 357 CB LEU A 26 -0.910 -4.385 6.049 1.00 0.00 C ATOM 358 CG LEU A 26 -0.118 -3.354 6.854 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.398 -1.949 6.344 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.453 -3.462 8.335 1.00 0.00 C ATOM 0 H LEU A 26 1.203 -5.816 5.189 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.804 -6.093 7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.758 -4.183 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.971 -4.239 6.253 1.00 0.00 H new ATOM 0 HG LEU A 26 0.945 -3.560 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.174 -1.229 6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.108 -1.878 5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.462 -1.732 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.120 -2.721 8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.518 -3.283 8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.201 -4.460 8.693 1.00 0.00 H new ATOM 372 N SER A 27 -2.377 -7.433 5.990 1.00 0.00 N ATOM 373 CA SER A 27 -3.242 -8.330 5.234 1.00 0.00 C ATOM 374 C SER A 27 -4.430 -7.573 4.647 1.00 0.00 C ATOM 375 O SER A 27 -5.127 -6.845 5.354 1.00 0.00 O ATOM 376 CB SER A 27 -3.740 -9.468 6.128 1.00 0.00 C ATOM 377 OG SER A 27 -5.014 -9.925 5.709 1.00 0.00 O ATOM 0 H SER A 27 -2.592 -7.379 6.986 1.00 0.00 H new ATOM 0 HA SER A 27 -2.659 -8.750 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.028 -10.293 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.795 -9.126 7.161 1.00 0.00 H new ATOM 0 HG SER A 27 -5.309 -10.653 6.295 1.00 0.00 H new ATOM 383 N PHE A 28 -4.654 -7.750 3.349 1.00 0.00 N ATOM 384 CA PHE A 28 -5.756 -7.083 2.666 1.00 0.00 C ATOM 385 C PHE A 28 -6.330 -7.970 1.565 1.00 0.00 C ATOM 386 O PHE A 28 -5.735 -8.983 1.194 1.00 0.00 O ATOM 387 CB PHE A 28 -5.286 -5.754 2.071 1.00 0.00 C ATOM 388 CG PHE A 28 -3.975 -5.852 1.346 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.926 -6.289 0.032 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.791 -5.507 1.977 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.721 -6.380 -0.639 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.583 -5.595 1.311 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.548 -6.034 0.002 1.00 0.00 C ATOM 0 H PHE A 28 -4.087 -8.350 2.749 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.540 -6.889 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.046 -5.384 1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.196 -5.019 2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.840 -6.562 -0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.812 -5.165 3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.697 -6.721 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.667 -5.321 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.605 -6.107 -0.519 1.00 0.00 H new ATOM 403 N LYS A 29 -7.490 -7.584 1.046 1.00 0.00 N ATOM 404 CA LYS A 29 -8.146 -8.342 -0.012 1.00 0.00 C ATOM 405 C LYS A 29 -8.113 -7.576 -1.331 1.00 0.00 C ATOM 406 O LYS A 29 -8.071 -6.346 -1.346 1.00 0.00 O ATOM 407 CB LYS A 29 -9.595 -8.649 0.374 1.00 0.00 C ATOM 408 CG LYS A 29 -9.721 -9.596 1.555 1.00 0.00 C ATOM 409 CD LYS A 29 -9.754 -11.047 1.105 1.00 0.00 C ATOM 410 CE LYS A 29 -9.251 -11.981 2.195 1.00 0.00 C ATOM 411 NZ LYS A 29 -9.582 -13.403 1.903 1.00 0.00 N ATOM 0 H LYS A 29 -7.996 -6.749 1.342 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.604 -9.279 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.105 -7.715 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.107 -9.082 -0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.883 -9.444 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.629 -9.366 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.773 -11.321 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.141 -11.166 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.171 -11.873 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.691 -11.694 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.222 -14.008 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.614 -13.512 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.141 -13.684 1.004 1.00 0.00 H new ATOM 425 N LYS A 30 -8.132 -8.311 -2.438 1.00 0.00 N ATOM 426 CA LYS A 30 -8.107 -7.702 -3.762 1.00 0.00 C ATOM 427 C LYS A 30 -9.201 -6.648 -3.897 1.00 0.00 C ATOM 428 O LYS A 30 -10.379 -6.931 -3.683 1.00 0.00 O ATOM 429 CB LYS A 30 -8.279 -8.772 -4.842 1.00 0.00 C ATOM 430 CG LYS A 30 -8.262 -8.218 -6.256 1.00 0.00 C ATOM 431 CD LYS A 30 -8.241 -9.331 -7.291 1.00 0.00 C ATOM 432 CE LYS A 30 -8.259 -8.776 -8.707 1.00 0.00 C ATOM 433 NZ LYS A 30 -7.593 -9.694 -9.671 1.00 0.00 N ATOM 0 H LYS A 30 -8.165 -9.330 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.140 -7.216 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.483 -9.510 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.221 -9.295 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.140 -7.591 -6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.387 -7.581 -6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.350 -9.943 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.102 -9.983 -7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.290 -8.608 -9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.760 -7.807 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.626 -9.280 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.602 -9.834 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.085 -10.610 -9.674 1.00 0.00 H new ATOM 447 N GLY A 31 -8.803 -5.430 -4.255 1.00 0.00 N ATOM 448 CA GLY A 31 -9.763 -4.353 -4.414 1.00 0.00 C ATOM 449 C GLY A 31 -9.859 -3.476 -3.181 1.00 0.00 C ATOM 450 O GLY A 31 -10.419 -2.382 -3.233 1.00 0.00 O ATOM 0 H GLY A 31 -7.834 -5.171 -4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.480 -3.741 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.744 -4.774 -4.634 1.00 0.00 H new ATOM 454 N ALA A 32 -9.313 -3.958 -2.070 1.00 0.00 N ATOM 455 CA ALA A 32 -9.339 -3.210 -0.819 1.00 0.00 C ATOM 456 C ALA A 32 -8.549 -1.912 -0.939 1.00 0.00 C ATOM 457 O ALA A 32 -7.411 -1.908 -1.408 1.00 0.00 O ATOM 458 CB ALA A 32 -8.790 -4.062 0.316 1.00 0.00 C ATOM 0 H ALA A 32 -8.847 -4.863 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.375 -2.954 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.815 -3.491 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.399 -4.959 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.762 -4.347 0.093 1.00 0.00 H new ATOM 464 N SER A 33 -9.160 -0.811 -0.514 1.00 0.00 N ATOM 465 CA SER A 33 -8.515 0.495 -0.578 1.00 0.00 C ATOM 466 C SER A 33 -7.398 0.601 0.456 1.00 0.00 C ATOM 467 O SER A 33 -7.612 0.362 1.646 1.00 0.00 O ATOM 468 CB SER A 33 -9.541 1.607 -0.352 1.00 0.00 C ATOM 469 OG SER A 33 -8.953 2.885 -0.517 1.00 0.00 O ATOM 0 H SER A 33 -10.101 -0.797 -0.121 1.00 0.00 H new ATOM 0 HA SER A 33 -8.080 0.609 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.368 1.491 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.959 1.522 0.651 1.00 0.00 H new ATOM 0 HG SER A 33 -9.630 3.578 -0.369 1.00 0.00 H new ATOM 475 N LEU A 34 -6.205 0.959 -0.005 1.00 0.00 N ATOM 476 CA LEU A 34 -5.052 1.097 0.879 1.00 0.00 C ATOM 477 C LEU A 34 -4.446 2.492 0.769 1.00 0.00 C ATOM 478 O LEU A 34 -4.588 3.164 -0.253 1.00 0.00 O ATOM 479 CB LEU A 34 -3.997 0.042 0.541 1.00 0.00 C ATOM 480 CG LEU A 34 -4.504 -1.394 0.402 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.612 -2.186 -0.541 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.576 -2.069 1.764 1.00 0.00 C ATOM 0 H LEU A 34 -6.010 1.159 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.391 0.948 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.513 0.327 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.231 0.062 1.316 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.509 -1.365 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.988 -3.205 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.612 -1.715 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.595 -2.207 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.939 -3.090 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.584 -2.087 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.257 -1.515 2.409 1.00 0.00 H new ATOM 494 N LEU A 35 -3.767 2.921 1.827 1.00 0.00 N ATOM 495 CA LEU A 35 -3.136 4.237 1.850 1.00 0.00 C ATOM 496 C LEU A 35 -1.618 4.111 1.931 1.00 0.00 C ATOM 497 O LEU A 35 -1.092 3.293 2.687 1.00 0.00 O ATOM 498 CB LEU A 35 -3.656 5.053 3.034 1.00 0.00 C ATOM 499 CG LEU A 35 -3.708 6.568 2.833 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.774 6.935 1.812 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.969 7.273 4.157 1.00 0.00 C ATOM 0 H LEU A 35 -3.639 2.377 2.680 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.390 4.751 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.660 4.704 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.027 4.843 3.899 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.741 6.898 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.796 8.017 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.544 6.460 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.747 6.592 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.003 8.350 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.922 6.937 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.169 7.037 4.859 1.00 0.00 H new ATOM 513 N LEU A 36 -0.919 4.927 1.150 1.00 0.00 N ATOM 514 CA LEU A 36 0.539 4.909 1.135 1.00 0.00 C ATOM 515 C LEU A 36 1.105 6.225 1.659 1.00 0.00 C ATOM 516 O LEU A 36 0.675 7.304 1.251 1.00 0.00 O ATOM 517 CB LEU A 36 1.051 4.649 -0.283 1.00 0.00 C ATOM 518 CG LEU A 36 0.421 3.466 -1.018 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.195 3.153 -2.289 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.364 2.244 -0.112 1.00 0.00 C ATOM 0 H LEU A 36 -1.339 5.610 0.519 1.00 0.00 H new ATOM 0 HA LEU A 36 0.875 4.104 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.888 5.548 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.128 4.489 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.598 3.737 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.732 2.308 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.184 4.023 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.225 2.903 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.087 1.412 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.374 1.972 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.235 2.472 0.770 1.00 0.00 H new ATOM 532 N TYR A 37 2.073 6.128 2.564 1.00 0.00 N ATOM 533 CA TYR A 37 2.699 7.310 3.144 1.00 0.00 C ATOM 534 C TYR A 37 4.103 7.515 2.583 1.00 0.00 C ATOM 535 O TYR A 37 4.474 8.624 2.202 1.00 0.00 O ATOM 536 CB TYR A 37 2.759 7.185 4.667 1.00 0.00 C ATOM 537 CG TYR A 37 1.402 7.040 5.317 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.350 7.878 4.968 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.172 6.067 6.282 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.892 7.750 5.559 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.067 5.931 6.878 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.096 6.775 6.513 1.00 0.00 C ATOM 543 OH TYR A 37 -2.331 6.643 7.106 1.00 0.00 O ATOM 0 H TYR A 37 2.441 5.243 2.912 1.00 0.00 H new ATOM 0 HA TYR A 37 2.093 8.177 2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.372 6.322 4.928 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.256 8.065 5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.506 8.643 4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.975 5.406 6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.699 8.410 5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.229 5.168 7.625 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.306 5.909 7.754 1.00 0.00 H new ATOM 553 N GLN A 38 4.877 6.435 2.535 1.00 0.00 N ATOM 554 CA GLN A 38 6.240 6.496 2.021 1.00 0.00 C ATOM 555 C GLN A 38 6.696 5.127 1.525 1.00 0.00 C ATOM 556 O GLN A 38 6.133 4.100 1.904 1.00 0.00 O ATOM 557 CB GLN A 38 7.194 7.003 3.104 1.00 0.00 C ATOM 558 CG GLN A 38 7.219 8.518 3.232 1.00 0.00 C ATOM 559 CD GLN A 38 8.394 9.015 4.050 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.145 8.225 4.623 1.00 0.00 O ATOM 561 NE2 GLN A 38 8.561 10.331 4.108 1.00 0.00 N ATOM 0 H GLN A 38 4.584 5.509 2.845 1.00 0.00 H new ATOM 0 HA GLN A 38 6.254 7.190 1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.906 6.570 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.201 6.649 2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.260 8.962 2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.291 8.855 3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.915 10.949 3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.336 10.724 4.643 1.00 0.00 H new ATOM 570 N ARG A 39 7.718 5.122 0.676 1.00 0.00 N ATOM 571 CA ARG A 39 8.248 3.879 0.128 1.00 0.00 C ATOM 572 C ARG A 39 9.366 3.329 1.009 1.00 0.00 C ATOM 573 O ARG A 39 10.451 3.905 1.084 1.00 0.00 O ATOM 574 CB ARG A 39 8.769 4.106 -1.293 1.00 0.00 C ATOM 575 CG ARG A 39 9.187 2.827 -2.000 1.00 0.00 C ATOM 576 CD ARG A 39 8.024 2.202 -2.754 1.00 0.00 C ATOM 577 NE ARG A 39 8.477 1.314 -3.821 1.00 0.00 N ATOM 578 CZ ARG A 39 9.044 1.742 -4.943 1.00 0.00 C ATOM 579 NH1 ARG A 39 9.225 3.040 -5.144 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.430 0.872 -5.868 1.00 0.00 N ATOM 0 H ARG A 39 8.195 5.964 0.353 1.00 0.00 H new ATOM 0 HA ARG A 39 7.439 3.149 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.995 4.599 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.621 4.785 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.999 3.043 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.573 2.116 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.399 1.643 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.402 2.990 -3.178 1.00 0.00 H new ATOM 0 HE ARG A 39 8.351 0.309 -3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.929 3.712 -4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.661 3.367 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.291 -0.127 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.865 1.203 -6.729 1.00 0.00 H new ATOM 594 N ALA A 40 9.092 2.211 1.674 1.00 0.00 N ATOM 595 CA ALA A 40 10.074 1.583 2.548 1.00 0.00 C ATOM 596 C ALA A 40 11.203 0.951 1.741 1.00 0.00 C ATOM 597 O ALA A 40 12.370 1.025 2.126 1.00 0.00 O ATOM 598 CB ALA A 40 9.404 0.538 3.429 1.00 0.00 C ATOM 0 H ALA A 40 8.198 1.722 1.624 1.00 0.00 H new ATOM 0 HA ALA A 40 10.506 2.356 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.149 0.077 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.637 1.015 4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.945 -0.226 2.802 1.00 0.00 H new ATOM 604 N SER A 41 10.848 0.329 0.622 1.00 0.00 N ATOM 605 CA SER A 41 11.832 -0.319 -0.237 1.00 0.00 C ATOM 606 C SER A 41 11.291 -0.483 -1.655 1.00 0.00 C ATOM 607 O SER A 41 10.155 -0.109 -1.945 1.00 0.00 O ATOM 608 CB SER A 41 12.218 -1.685 0.334 1.00 0.00 C ATOM 609 OG SER A 41 13.296 -1.570 1.246 1.00 0.00 O ATOM 0 H SER A 41 9.886 0.260 0.289 1.00 0.00 H new ATOM 0 HA SER A 41 12.718 0.315 -0.275 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.358 -2.129 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.495 -2.357 -0.478 1.00 0.00 H new ATOM 0 HG SER A 41 13.241 -0.709 1.710 1.00 0.00 H new ATOM 615 N ASP A 42 12.115 -1.043 -2.534 1.00 0.00 N ATOM 616 CA ASP A 42 11.721 -1.258 -3.921 1.00 0.00 C ATOM 617 C ASP A 42 10.698 -2.385 -4.028 1.00 0.00 C ATOM 618 O ASP A 42 10.080 -2.579 -5.075 1.00 0.00 O ATOM 619 CB ASP A 42 12.946 -1.583 -4.777 1.00 0.00 C ATOM 620 CG ASP A 42 13.961 -0.456 -4.787 1.00 0.00 C ATOM 621 OD1 ASP A 42 14.252 0.089 -3.702 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.464 -0.121 -5.879 1.00 0.00 O ATOM 0 H ASP A 42 13.060 -1.356 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 42 11.263 -0.340 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.418 -2.490 -4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.627 -1.790 -5.799 1.00 0.00 H new ATOM 627 N ASP A 43 10.524 -3.124 -2.938 1.00 0.00 N ATOM 628 CA ASP A 43 9.576 -4.232 -2.908 1.00 0.00 C ATOM 629 C ASP A 43 8.680 -4.147 -1.676 1.00 0.00 C ATOM 630 O ASP A 43 8.138 -5.154 -1.221 1.00 0.00 O ATOM 631 CB ASP A 43 10.319 -5.568 -2.923 1.00 0.00 C ATOM 632 CG ASP A 43 10.906 -5.890 -4.283 1.00 0.00 C ATOM 633 OD1 ASP A 43 10.446 -5.298 -5.282 1.00 0.00 O ATOM 634 OD2 ASP A 43 11.824 -6.734 -4.350 1.00 0.00 O ATOM 0 H ASP A 43 11.027 -2.976 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 43 8.948 -4.165 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.118 -5.544 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.635 -6.364 -2.628 1.00 0.00 H new ATOM 639 N TRP A 44 8.531 -2.941 -1.142 1.00 0.00 N ATOM 640 CA TRP A 44 7.702 -2.725 0.039 1.00 0.00 C ATOM 641 C TRP A 44 7.257 -1.270 0.134 1.00 0.00 C ATOM 642 O TRP A 44 7.812 -0.397 -0.535 1.00 0.00 O ATOM 643 CB TRP A 44 8.465 -3.122 1.303 1.00 0.00 C ATOM 644 CG TRP A 44 8.630 -4.603 1.458 1.00 0.00 C ATOM 645 CD1 TRP A 44 9.782 -5.321 1.304 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.608 -5.549 1.794 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.538 -6.655 1.525 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.213 -6.821 1.828 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.243 -5.444 2.072 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.497 -7.977 2.127 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.534 -6.592 2.369 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.161 -7.845 2.395 1.00 0.00 C ATOM 0 H TRP A 44 8.973 -2.097 -1.507 1.00 0.00 H new ATOM 0 HA TRP A 44 6.814 -3.351 -0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.449 -2.654 1.286 1.00 0.00 H new ATOM 0 HB3 TRP A 44 7.940 -2.729 2.174 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.743 -4.902 1.046 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.232 -7.401 1.472 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.751 -4.483 2.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 7.978 -8.944 2.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.478 -6.523 2.585 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.579 -8.724 2.631 1.00 0.00 H new ATOM 663 N TRP A 45 6.255 -1.015 0.967 1.00 0.00 N ATOM 664 CA TRP A 45 5.737 0.336 1.148 1.00 0.00 C ATOM 665 C TRP A 45 5.435 0.611 2.617 1.00 0.00 C ATOM 666 O TRP A 45 5.411 -0.307 3.437 1.00 0.00 O ATOM 667 CB TRP A 45 4.474 0.538 0.309 1.00 0.00 C ATOM 668 CG TRP A 45 4.760 0.906 -1.115 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.092 0.056 -2.131 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.741 2.222 -1.680 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.280 0.764 -3.294 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.070 2.094 -3.044 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.476 3.494 -1.167 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.142 3.192 -3.898 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.548 4.583 -2.016 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.878 4.426 -3.369 1.00 0.00 C ATOM 0 H TRP A 45 5.785 -1.726 1.528 1.00 0.00 H new ATOM 0 HA TRP A 45 6.501 1.038 0.815 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.883 -0.378 0.329 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.866 1.320 0.764 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.192 -1.015 -2.035 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.535 0.364 -4.197 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.220 3.624 -0.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.397 3.074 -4.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.347 5.571 -1.630 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.925 5.296 -4.007 1.00 0.00 H new ATOM 687 N GLU A 46 5.206 1.879 2.943 1.00 0.00 N ATOM 688 CA GLU A 46 4.906 2.272 4.315 1.00 0.00 C ATOM 689 C GLU A 46 3.594 3.049 4.384 1.00 0.00 C ATOM 690 O GLU A 46 3.560 4.254 4.135 1.00 0.00 O ATOM 691 CB GLU A 46 6.044 3.120 4.886 1.00 0.00 C ATOM 692 CG GLU A 46 7.377 2.392 4.941 1.00 0.00 C ATOM 693 CD GLU A 46 8.260 2.877 6.074 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.515 4.098 6.146 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.697 2.037 6.889 1.00 0.00 O ATOM 0 H GLU A 46 5.222 2.651 2.277 1.00 0.00 H new ATOM 0 HA GLU A 46 4.803 1.365 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.155 4.019 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.775 3.445 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.198 1.323 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.900 2.527 3.994 1.00 0.00 H new ATOM 702 N GLY A 47 2.516 2.350 4.724 1.00 0.00 N ATOM 703 CA GLY A 47 1.216 2.989 4.819 1.00 0.00 C ATOM 704 C GLY A 47 0.402 2.476 5.989 1.00 0.00 C ATOM 705 O GLY A 47 0.957 2.072 7.011 1.00 0.00 O ATOM 0 H GLY A 47 2.519 1.352 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.351 4.066 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.664 2.821 3.895 1.00 0.00 H new ATOM 709 N ARG A 48 -0.919 2.492 5.842 1.00 0.00 N ATOM 710 CA ARG A 48 -1.811 2.027 6.897 1.00 0.00 C ATOM 711 C ARG A 48 -2.933 1.168 6.321 1.00 0.00 C ATOM 712 O ARG A 48 -3.178 1.176 5.114 1.00 0.00 O ATOM 713 CB ARG A 48 -2.404 3.217 7.654 1.00 0.00 C ATOM 714 CG ARG A 48 -3.366 2.817 8.760 1.00 0.00 C ATOM 715 CD ARG A 48 -3.888 4.032 9.511 1.00 0.00 C ATOM 716 NE ARG A 48 -2.953 4.485 10.537 1.00 0.00 N ATOM 717 CZ ARG A 48 -3.106 5.611 11.225 1.00 0.00 C ATOM 718 NH1 ARG A 48 -4.151 6.395 10.997 1.00 0.00 N ATOM 719 NH2 ARG A 48 -2.212 5.955 12.144 1.00 0.00 N ATOM 0 H ARG A 48 -1.395 2.822 5.002 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.228 1.418 7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.593 3.804 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.925 3.863 6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.203 2.264 8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.863 2.146 9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.073 4.842 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.844 3.789 9.974 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.138 3.905 10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.840 6.134 10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.266 7.259 11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.407 5.355 12.322 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.330 6.820 12.672 1.00 0.00 H new ATOM 733 N HIS A 49 -3.611 0.427 7.192 1.00 0.00 N ATOM 734 CA HIS A 49 -4.706 -0.438 6.770 1.00 0.00 C ATOM 735 C HIS A 49 -5.629 -0.757 7.942 1.00 0.00 C ATOM 736 O HIS A 49 -5.182 -1.232 8.985 1.00 0.00 O ATOM 737 CB HIS A 49 -4.159 -1.734 6.170 1.00 0.00 C ATOM 738 CG HIS A 49 -5.215 -2.761 5.897 1.00 0.00 C ATOM 739 ND1 HIS A 49 -6.061 -3.247 6.871 1.00 0.00 N ATOM 740 CD2 HIS A 49 -5.561 -3.392 4.751 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.880 -4.135 6.337 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.598 -4.241 5.051 1.00 0.00 N ATOM 0 H HIS A 49 -3.421 0.409 8.194 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.281 0.091 6.010 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.640 -1.503 5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.420 -2.157 6.851 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.106 -3.254 3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.649 -4.681 6.862 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.073 -4.854 4.388 1.00 0.00 H new ATOM 751 N ASN A 50 -6.919 -0.491 7.763 1.00 0.00 N ATOM 752 CA ASN A 50 -7.905 -0.749 8.806 1.00 0.00 C ATOM 753 C ASN A 50 -7.417 -0.229 10.155 1.00 0.00 C ATOM 754 O ASN A 50 -7.723 -0.802 11.200 1.00 0.00 O ATOM 755 CB ASN A 50 -8.199 -2.247 8.900 1.00 0.00 C ATOM 756 CG ASN A 50 -9.547 -2.533 9.536 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.266 -1.615 9.930 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.893 -3.810 9.637 1.00 0.00 N ATOM 0 H ASN A 50 -7.306 -0.097 6.905 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.822 -0.222 8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.171 -2.683 7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.415 -2.733 9.482 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.788 -4.064 10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.264 -4.537 9.296 1.00 0.00 H new ATOM 765 N GLY A 51 -6.656 0.861 10.124 1.00 0.00 N ATOM 766 CA GLY A 51 -6.139 1.440 11.350 1.00 0.00 C ATOM 767 C GLY A 51 -4.895 0.730 11.846 1.00 0.00 C ATOM 768 O GLY A 51 -4.624 0.706 13.047 1.00 0.00 O ATOM 0 H GLY A 51 -6.388 1.353 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.911 2.493 11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.909 1.399 12.121 1.00 0.00 H new ATOM 772 N ILE A 52 -4.138 0.150 10.922 1.00 0.00 N ATOM 773 CA ILE A 52 -2.917 -0.565 11.273 1.00 0.00 C ATOM 774 C ILE A 52 -1.767 -0.175 10.350 1.00 0.00 C ATOM 775 O ILE A 52 -1.878 -0.275 9.128 1.00 0.00 O ATOM 776 CB ILE A 52 -3.118 -2.090 11.207 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.364 -2.497 11.996 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.889 -2.811 11.740 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.942 -3.828 11.570 1.00 0.00 C ATOM 0 H ILE A 52 -4.348 0.161 9.924 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.670 -0.284 12.297 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.260 -2.377 10.165 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.114 -2.541 13.056 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.125 -1.726 11.880 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.047 -3.888 11.686 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.020 -2.542 11.139 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.718 -2.521 12.777 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.823 -4.052 12.172 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.224 -3.782 10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.197 -4.611 11.712 1.00 0.00 H new ATOM 791 N ASP A 53 -0.664 0.267 10.943 1.00 0.00 N ATOM 792 CA ASP A 53 0.508 0.670 10.174 1.00 0.00 C ATOM 793 C ASP A 53 1.461 -0.506 9.982 1.00 0.00 C ATOM 794 O ASP A 53 1.758 -1.238 10.925 1.00 0.00 O ATOM 795 CB ASP A 53 1.233 1.821 10.874 1.00 0.00 C ATOM 796 CG ASP A 53 2.156 1.339 11.976 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.757 0.425 12.727 1.00 0.00 O ATOM 798 OD2 ASP A 53 3.279 1.876 12.087 1.00 0.00 O ATOM 0 H ASP A 53 -0.556 0.355 11.953 1.00 0.00 H new ATOM 0 HA ASP A 53 0.171 1.006 9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.811 2.383 10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.498 2.508 11.294 1.00 0.00 H new ATOM 803 N GLY A 54 1.938 -0.680 8.753 1.00 0.00 N ATOM 804 CA GLY A 54 2.851 -1.769 8.458 1.00 0.00 C ATOM 805 C GLY A 54 3.477 -1.644 7.084 1.00 0.00 C ATOM 806 O GLY A 54 3.588 -0.544 6.541 1.00 0.00 O ATOM 0 H GLY A 54 1.708 -0.086 7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.638 -1.793 9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.316 -2.716 8.525 1.00 0.00 H new ATOM 810 N LEU A 55 3.891 -2.774 6.520 1.00 0.00 N ATOM 811 CA LEU A 55 4.512 -2.787 5.200 1.00 0.00 C ATOM 812 C LEU A 55 3.540 -3.309 4.146 1.00 0.00 C ATOM 813 O LEU A 55 2.761 -4.226 4.406 1.00 0.00 O ATOM 814 CB LEU A 55 5.775 -3.650 5.217 1.00 0.00 C ATOM 815 CG LEU A 55 6.988 -3.050 5.930 1.00 0.00 C ATOM 816 CD1 LEU A 55 8.036 -4.120 6.192 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.578 -1.911 5.112 1.00 0.00 C ATOM 0 H LEU A 55 3.808 -3.692 6.956 1.00 0.00 H new ATOM 0 HA LEU A 55 4.783 -1.763 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.534 -4.602 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.056 -3.869 4.187 1.00 0.00 H new ATOM 0 HG LEU A 55 6.660 -2.649 6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.892 -3.675 6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.608 -4.902 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.360 -4.551 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.440 -1.496 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.891 -2.287 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.827 -1.133 4.977 1.00 0.00 H new ATOM 829 N ILE A 56 3.594 -2.721 2.956 1.00 0.00 N ATOM 830 CA ILE A 56 2.721 -3.129 1.862 1.00 0.00 C ATOM 831 C ILE A 56 3.529 -3.492 0.621 1.00 0.00 C ATOM 832 O ILE A 56 4.392 -2.739 0.169 1.00 0.00 O ATOM 833 CB ILE A 56 1.716 -2.020 1.500 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.745 -1.783 2.660 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.957 -2.386 0.234 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.195 -0.375 2.709 1.00 0.00 C ATOM 0 H ILE A 56 4.233 -1.960 2.725 1.00 0.00 H new ATOM 0 HA ILE A 56 2.173 -4.006 2.206 1.00 0.00 H new ATOM 0 HB ILE A 56 2.266 -1.097 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.084 -2.486 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.254 -1.998 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.250 -1.592 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.661 -2.510 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.415 -3.319 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.485 -0.279 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.016 0.333 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.343 -0.162 1.785 1.00 0.00 H new ATOM 848 N PRO A 57 3.243 -4.674 0.054 1.00 0.00 N ATOM 849 CA PRO A 57 3.930 -5.163 -1.145 1.00 0.00 C ATOM 850 C PRO A 57 3.561 -4.365 -2.391 1.00 0.00 C ATOM 851 O PRO A 57 2.401 -4.002 -2.587 1.00 0.00 O ATOM 852 CB PRO A 57 3.438 -6.608 -1.271 1.00 0.00 C ATOM 853 CG PRO A 57 2.118 -6.620 -0.581 1.00 0.00 C ATOM 854 CD PRO A 57 2.226 -5.622 0.539 1.00 0.00 C ATOM 0 HA PRO A 57 5.013 -5.072 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.341 -6.904 -2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.134 -7.305 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.316 -6.350 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.888 -7.614 -0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.274 -5.127 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.531 -6.096 1.472 1.00 0.00 H new ATOM 862 N HIS A 58 4.555 -4.096 -3.231 1.00 0.00 N ATOM 863 CA HIS A 58 4.334 -3.341 -4.460 1.00 0.00 C ATOM 864 C HIS A 58 3.869 -4.259 -5.586 1.00 0.00 C ATOM 865 O HIS A 58 3.571 -3.802 -6.689 1.00 0.00 O ATOM 866 CB HIS A 58 5.614 -2.615 -4.874 1.00 0.00 C ATOM 867 CG HIS A 58 5.452 -1.767 -6.098 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.276 -0.400 -6.049 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.442 -2.099 -7.410 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.163 0.072 -7.278 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.261 -0.939 -8.123 1.00 0.00 N ATOM 0 H HIS A 58 5.521 -4.389 -3.084 1.00 0.00 H new ATOM 0 HA HIS A 58 3.553 -2.605 -4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.949 -1.987 -4.049 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.398 -3.351 -5.053 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.555 -3.092 -7.820 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.016 1.108 -7.546 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.210 -0.869 -9.139 1.00 0.00 H new ATOM 879 N GLN A 59 3.811 -5.556 -5.299 1.00 0.00 N ATOM 880 CA GLN A 59 3.384 -6.538 -6.289 1.00 0.00 C ATOM 881 C GLN A 59 1.893 -6.832 -6.156 1.00 0.00 C ATOM 882 O GLN A 59 1.257 -7.305 -7.098 1.00 0.00 O ATOM 883 CB GLN A 59 4.187 -7.831 -6.134 1.00 0.00 C ATOM 884 CG GLN A 59 5.684 -7.642 -6.314 1.00 0.00 C ATOM 885 CD GLN A 59 6.382 -7.251 -5.026 1.00 0.00 C ATOM 886 OE1 GLN A 59 6.757 -8.108 -4.225 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.559 -5.952 -4.819 1.00 0.00 N ATOM 0 H GLN A 59 4.054 -5.951 -4.390 1.00 0.00 H new ATOM 0 HA GLN A 59 3.566 -6.122 -7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.998 -8.250 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.831 -8.560 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.120 -8.566 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.861 -6.874 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.232 -5.276 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.022 -5.629 -3.969 1.00 0.00 H new ATOM 896 N TYR A 60 1.342 -6.550 -4.980 1.00 0.00 N ATOM 897 CA TYR A 60 -0.073 -6.786 -4.723 1.00 0.00 C ATOM 898 C TYR A 60 -0.813 -5.472 -4.497 1.00 0.00 C ATOM 899 O TYR A 60 -1.785 -5.416 -3.743 1.00 0.00 O ATOM 900 CB TYR A 60 -0.246 -7.698 -3.507 1.00 0.00 C ATOM 901 CG TYR A 60 0.374 -9.066 -3.682 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.753 -9.220 -3.761 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.418 -10.204 -3.768 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.324 -10.467 -3.921 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.145 -11.456 -3.927 1.00 0.00 C ATOM 906 CZ TYR A 60 1.516 -11.582 -4.004 1.00 0.00 C ATOM 907 OH TYR A 60 2.081 -12.826 -4.163 1.00 0.00 O ATOM 0 H TYR A 60 1.854 -6.158 -4.190 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.499 -7.275 -5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.198 -7.216 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.310 -7.814 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.389 -8.349 -3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.492 -10.109 -3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.398 -10.569 -3.981 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.485 -12.331 -3.991 1.00 0.00 H new ATOM 0 HH TYR A 60 1.374 -13.504 -4.202 1.00 0.00 H new ATOM 917 N ILE A 61 -0.346 -4.417 -5.155 1.00 0.00 N ATOM 918 CA ILE A 61 -0.964 -3.102 -5.028 1.00 0.00 C ATOM 919 C ILE A 61 -0.639 -2.224 -6.231 1.00 0.00 C ATOM 920 O ILE A 61 0.392 -2.399 -6.882 1.00 0.00 O ATOM 921 CB ILE A 61 -0.504 -2.386 -3.744 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.998 -2.102 -3.803 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.844 -3.224 -2.520 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.341 -0.801 -4.494 1.00 0.00 C ATOM 0 H ILE A 61 0.458 -4.446 -5.782 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.041 -3.262 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.031 -1.435 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.395 -2.081 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.494 -2.922 -4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.513 -2.705 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.922 -3.379 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.341 -4.189 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.423 -0.666 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.974 -0.826 -5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.874 0.028 -3.962 1.00 0.00 H new ATOM 936 N VAL A 62 -1.525 -1.276 -6.521 1.00 0.00 N ATOM 937 CA VAL A 62 -1.331 -0.366 -7.644 1.00 0.00 C ATOM 938 C VAL A 62 -1.240 1.080 -7.171 1.00 0.00 C ATOM 939 O VAL A 62 -2.245 1.691 -6.808 1.00 0.00 O ATOM 940 CB VAL A 62 -2.475 -0.488 -8.669 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.277 0.497 -9.810 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.570 -1.913 -9.193 1.00 0.00 C ATOM 0 H VAL A 62 -2.384 -1.118 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.393 -0.648 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.414 -0.245 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.095 0.396 -10.524 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.263 1.513 -9.415 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.331 0.289 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.383 -1.981 -9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.632 -2.187 -9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.764 -2.593 -8.364 1.00 0.00 H new ATOM 952 N VAL A 63 -0.027 1.624 -7.178 1.00 0.00 N ATOM 953 CA VAL A 63 0.197 3.000 -6.751 1.00 0.00 C ATOM 954 C VAL A 63 -0.375 3.988 -7.761 1.00 0.00 C ATOM 955 O VAL A 63 0.201 4.204 -8.827 1.00 0.00 O ATOM 956 CB VAL A 63 1.697 3.291 -6.557 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.914 4.749 -6.184 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.286 2.368 -5.501 1.00 0.00 C ATOM 0 H VAL A 63 0.816 1.132 -7.475 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.315 3.123 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 63 2.211 3.102 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.980 4.936 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.530 5.389 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.388 4.969 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.346 2.587 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.770 2.523 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.164 1.331 -5.815 1.00 0.00 H new