USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 16 SER OG : rot -176:sc= 1.11 USER MOD Set 1.2: A 18 LYS NZ :NH3+ 166:sc= 1.38 (180deg=1.28) USER MOD Set 1.3: A 46 SER OG : rot 71:sc= 1.16 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.117 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 K(o=0.12,f=-1.9!) USER MOD Single : A 3 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 6 SER OG : rot -39:sc= 0.0216 USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 2.24 (180deg=2.19) USER MOD Single : A 19 SER OG : rot 63:sc= 1.28 USER MOD Single : A 21 THR OG1 : rot 85:sc= 0.215 USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.23) USER MOD Single : A 26 SER OG : rot -138:sc= 0.825 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -90:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.262 -1.211 -7.400 1.00 0.00 N ATOM 19 CA LEU A 2 -5.954 -2.625 -7.155 1.00 0.00 C ATOM 20 C LEU A 2 -4.498 -2.794 -6.720 1.00 0.00 C ATOM 21 O LEU A 2 -3.620 -2.024 -7.121 1.00 0.00 O ATOM 22 CB LEU A 2 -6.408 -3.512 -8.339 1.00 0.00 C ATOM 23 CG LEU A 2 -5.666 -3.478 -9.696 1.00 0.00 C ATOM 24 CD1 LEU A 2 -5.410 -2.075 -10.251 1.00 0.00 C ATOM 25 CD2 LEU A 2 -4.353 -4.261 -9.696 1.00 0.00 C ATOM 0 HA LEU A 2 -6.539 -2.990 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.386 -4.544 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.451 -3.265 -8.540 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.373 -3.973 -10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.886 -2.151 -11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.361 -1.563 -10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.801 -1.510 -9.545 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.889 -4.193 -10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.680 -3.843 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.553 -5.306 -9.461 1.00 0.00 H new ATOM 37 N CYS A 3 -4.251 -3.791 -5.868 1.00 0.00 N ATOM 38 CA CYS A 3 -2.976 -3.927 -5.187 1.00 0.00 C ATOM 39 C CYS A 3 -1.818 -4.289 -6.130 1.00 0.00 C ATOM 40 O CYS A 3 -1.931 -5.090 -7.052 1.00 0.00 O ATOM 41 CB CYS A 3 -3.225 -4.887 -4.015 1.00 0.00 C ATOM 42 SG CYS A 3 -1.754 -5.382 -3.094 1.00 0.00 S ATOM 0 H CYS A 3 -4.928 -4.518 -5.636 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.620 -2.976 -4.791 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.924 -4.416 -3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.711 -5.784 -4.399 1.00 0.00 H new ATOM 0 HG CYS A 3 -2.095 -6.188 -2.132 1.00 0.00 H new ATOM 48 N ALA A 4 -0.670 -3.677 -5.876 1.00 0.00 N ATOM 49 CA ALA A 4 0.558 -3.932 -6.638 1.00 0.00 C ATOM 50 C ALA A 4 1.281 -5.204 -6.158 1.00 0.00 C ATOM 51 O ALA A 4 2.088 -5.774 -6.894 1.00 0.00 O ATOM 52 CB ALA A 4 1.483 -2.717 -6.562 1.00 0.00 C ATOM 0 H ALA A 4 -0.557 -2.986 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 4 0.277 -4.100 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.392 -2.915 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.976 -1.847 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.741 -2.521 -5.521 1.00 0.00 H new ATOM 58 N ILE A 5 0.984 -5.653 -4.929 1.00 0.00 N ATOM 59 CA ILE A 5 1.569 -6.866 -4.345 1.00 0.00 C ATOM 60 C ILE A 5 0.881 -8.128 -4.898 1.00 0.00 C ATOM 61 O ILE A 5 1.577 -9.012 -5.402 1.00 0.00 O ATOM 62 CB ILE A 5 1.594 -6.799 -2.795 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.613 -5.763 -2.264 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.001 -8.187 -2.253 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.050 -4.341 -2.169 1.00 0.00 C ATOM 0 H ILE A 5 0.326 -5.180 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 5 2.614 -6.929 -4.650 1.00 0.00 H new ATOM 0 HB ILE A 5 0.600 -6.501 -2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.956 -6.076 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.486 -5.756 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.024 -8.160 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.277 -8.933 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.989 -8.450 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.820 -3.669 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.733 -4.008 -3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.195 -4.332 -1.492 1.00 0.00 H new ATOM 77 N SER A 6 -0.458 -8.225 -4.825 1.00 0.00 N ATOM 78 CA SER A 6 -1.204 -9.388 -5.366 1.00 0.00 C ATOM 79 C SER A 6 -2.423 -9.055 -6.237 1.00 0.00 C ATOM 80 O SER A 6 -2.875 -9.906 -7.008 1.00 0.00 O ATOM 81 CB SER A 6 -1.571 -10.370 -4.247 1.00 0.00 C ATOM 82 OG SER A 6 -1.765 -11.682 -4.746 1.00 0.00 O ATOM 0 H SER A 6 -1.051 -7.514 -4.397 1.00 0.00 H new ATOM 0 HA SER A 6 -0.507 -9.861 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.781 -10.379 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.480 -10.032 -3.749 1.00 0.00 H new ATOM 0 HG SER A 6 -2.225 -11.639 -5.610 1.00 0.00 H new ATOM 88 N GLY A 7 -2.940 -7.820 -6.183 1.00 0.00 N ATOM 89 CA GLY A 7 -3.989 -7.350 -7.096 1.00 0.00 C ATOM 90 C GLY A 7 -5.405 -7.490 -6.566 1.00 0.00 C ATOM 91 O GLY A 7 -6.381 -7.245 -7.277 1.00 0.00 O ATOM 0 H GLY A 7 -2.642 -7.119 -5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.805 -6.301 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.910 -7.903 -8.032 1.00 0.00 H new ATOM 95 N LYS A 8 -5.498 -7.888 -5.299 1.00 0.00 N ATOM 96 CA LYS A 8 -6.745 -8.082 -4.560 1.00 0.00 C ATOM 97 C LYS A 8 -7.471 -6.761 -4.272 1.00 0.00 C ATOM 98 O LYS A 8 -6.858 -5.690 -4.282 1.00 0.00 O ATOM 99 CB LYS A 8 -6.411 -8.885 -3.288 1.00 0.00 C ATOM 100 CG LYS A 8 -5.924 -8.065 -2.077 1.00 0.00 C ATOM 101 CD LYS A 8 -5.748 -8.943 -0.829 1.00 0.00 C ATOM 102 CE LYS A 8 -7.053 -9.485 -0.222 1.00 0.00 C ATOM 103 NZ LYS A 8 -7.917 -8.411 0.334 1.00 0.00 N ATOM 0 H LYS A 8 -4.673 -8.093 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.456 -8.645 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.300 -9.442 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.644 -9.618 -3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.976 -7.585 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.639 -7.270 -1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.107 -9.787 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.225 -8.364 -0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.606 -10.030 -0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.813 -10.198 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.758 -8.835 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.386 -7.873 1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.213 -7.772 -0.432 1.00 0.00 H new ATOM 117 N VAL A 9 -8.766 -6.849 -3.964 1.00 0.00 N ATOM 118 CA VAL A 9 -9.556 -5.722 -3.440 1.00 0.00 C ATOM 119 C VAL A 9 -9.100 -5.449 -1.994 1.00 0.00 C ATOM 120 O VAL A 9 -9.136 -6.367 -1.168 1.00 0.00 O ATOM 121 CB VAL A 9 -11.074 -5.974 -3.567 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.608 -7.207 -2.823 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.873 -4.744 -3.121 1.00 0.00 C ATOM 0 H VAL A 9 -9.305 -7.709 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.376 -4.827 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.216 -6.176 -4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.684 -7.289 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.117 -8.103 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.403 -7.106 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.939 -4.947 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.642 -4.518 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.607 -3.891 -3.745 1.00 0.00 H new ATOM 133 N PRO A 10 -8.576 -4.255 -1.664 1.00 0.00 N ATOM 134 CA PRO A 10 -7.968 -4.007 -0.358 1.00 0.00 C ATOM 135 C PRO A 10 -9.021 -3.860 0.755 1.00 0.00 C ATOM 136 O PRO A 10 -9.921 -3.019 0.671 1.00 0.00 O ATOM 137 CB PRO A 10 -7.136 -2.737 -0.552 1.00 0.00 C ATOM 138 CG PRO A 10 -7.888 -1.969 -1.637 1.00 0.00 C ATOM 139 CD PRO A 10 -8.418 -3.090 -2.529 1.00 0.00 C ATOM 0 HA PRO A 10 -7.352 -4.844 -0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.066 -2.160 0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.117 -2.970 -0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.695 -1.365 -1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.232 -1.292 -2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.368 -2.810 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.725 -3.301 -3.344 1.00 0.00 H new ATOM 147 N ARG A 11 -8.902 -4.661 1.823 1.00 0.00 N ATOM 148 CA ARG A 11 -9.668 -4.522 3.077 1.00 0.00 C ATOM 149 C ARG A 11 -9.314 -3.208 3.777 1.00 0.00 C ATOM 150 O ARG A 11 -10.207 -2.504 4.252 1.00 0.00 O ATOM 151 CB ARG A 11 -9.361 -5.699 4.011 1.00 0.00 C ATOM 152 CG ARG A 11 -9.997 -7.027 3.561 1.00 0.00 C ATOM 153 CD ARG A 11 -9.158 -8.273 3.892 1.00 0.00 C ATOM 154 NE ARG A 11 -8.623 -8.285 5.272 1.00 0.00 N ATOM 155 CZ ARG A 11 -7.383 -8.008 5.643 1.00 0.00 C ATOM 156 NH1 ARG A 11 -6.479 -7.584 4.808 1.00 0.00 N ATOM 157 NH2 ARG A 11 -7.014 -8.146 6.882 1.00 0.00 N ATOM 0 H ARG A 11 -8.252 -5.447 1.842 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.731 -4.519 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.281 -5.827 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.715 -5.458 5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.975 -7.126 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.163 -6.991 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.771 -9.162 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.327 -8.337 3.190 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.278 -8.532 6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.715 -7.453 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.535 -7.383 5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.683 -8.471 7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.056 -7.929 7.156 1.00 0.00 H new ATOM 171 N ARG A 12 -8.021 -2.861 3.792 1.00 0.00 N ATOM 172 CA ARG A 12 -7.468 -1.592 4.252 1.00 0.00 C ATOM 173 C ARG A 12 -6.619 -0.967 3.129 1.00 0.00 C ATOM 174 O ARG A 12 -5.438 -1.297 3.018 1.00 0.00 O ATOM 175 CB ARG A 12 -6.701 -1.857 5.559 1.00 0.00 C ATOM 176 CG ARG A 12 -6.091 -0.561 6.089 1.00 0.00 C ATOM 177 CD ARG A 12 -5.364 -0.731 7.430 1.00 0.00 C ATOM 178 NE ARG A 12 -6.290 -0.709 8.575 1.00 0.00 N ATOM 179 CZ ARG A 12 -6.297 0.142 9.588 1.00 0.00 C ATOM 180 NH1 ARG A 12 -5.434 1.106 9.731 1.00 0.00 N ATOM 181 NH2 ARG A 12 -7.202 0.044 10.516 1.00 0.00 N ATOM 0 H ARG A 12 -7.296 -3.499 3.464 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.242 -0.858 4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.374 -2.281 6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.915 -2.592 5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.390 -0.170 5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.880 0.182 6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.816 -1.673 7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.628 0.065 7.545 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.008 -1.433 8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.698 1.238 9.038 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.494 1.729 10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.908 -0.690 10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.206 0.701 11.296 1.00 0.00 H new ATOM 195 N PRO A 13 -7.190 -0.094 2.274 1.00 0.00 N ATOM 196 CA PRO A 13 -6.455 0.606 1.226 1.00 0.00 C ATOM 197 C PRO A 13 -5.346 1.474 1.808 1.00 0.00 C ATOM 198 O PRO A 13 -5.549 2.291 2.710 1.00 0.00 O ATOM 199 CB PRO A 13 -7.484 1.408 0.419 1.00 0.00 C ATOM 200 CG PRO A 13 -8.693 1.478 1.346 1.00 0.00 C ATOM 201 CD PRO A 13 -8.601 0.136 2.058 1.00 0.00 C ATOM 0 HA PRO A 13 -5.943 -0.096 0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.112 2.402 0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.728 0.914 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.631 2.316 2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.627 1.588 0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.144 0.156 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.040 -0.659 1.455 1.00 0.00 H new ATOM 209 N VAL A 14 -4.155 1.264 1.268 1.00 0.00 N ATOM 210 CA VAL A 14 -2.905 1.905 1.689 1.00 0.00 C ATOM 211 C VAL A 14 -2.048 2.275 0.470 1.00 0.00 C ATOM 212 O VAL A 14 -2.085 1.597 -0.553 1.00 0.00 O ATOM 213 CB VAL A 14 -2.176 0.992 2.709 1.00 0.00 C ATOM 214 CG1 VAL A 14 -1.000 0.192 2.150 1.00 0.00 C ATOM 215 CG2 VAL A 14 -1.705 1.785 3.919 1.00 0.00 C ATOM 0 H VAL A 14 -4.021 0.616 0.492 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.116 2.846 2.197 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.934 0.262 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.561 -0.412 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.351 -0.459 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.248 0.877 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.198 1.118 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.016 2.565 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.564 2.240 4.412 1.00 0.00 H new ATOM 225 N LEU A 15 -1.272 3.353 0.574 1.00 0.00 N ATOM 226 CA LEU A 15 -0.458 3.927 -0.504 1.00 0.00 C ATOM 227 C LEU A 15 0.963 4.272 -0.022 1.00 0.00 C ATOM 228 O LEU A 15 1.198 4.532 1.161 1.00 0.00 O ATOM 229 CB LEU A 15 -1.236 5.150 -1.051 1.00 0.00 C ATOM 230 CG LEU A 15 -0.544 6.030 -2.116 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.585 6.646 -3.053 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.224 7.206 -1.500 1.00 0.00 C ATOM 0 H LEU A 15 -1.188 3.874 1.447 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.303 3.207 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.173 4.788 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.493 5.788 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 15 0.146 5.370 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.084 7.263 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.139 5.852 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.275 7.262 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.691 7.791 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.466 7.838 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.994 6.826 -0.828 1.00 0.00 H new ATOM 244 N SER A 16 1.907 4.310 -0.963 1.00 0.00 N ATOM 245 CA SER A 16 3.274 4.822 -0.812 1.00 0.00 C ATOM 246 C SER A 16 3.513 5.832 -1.941 1.00 0.00 C ATOM 247 O SER A 16 3.173 5.528 -3.089 1.00 0.00 O ATOM 248 CB SER A 16 4.290 3.683 -0.903 1.00 0.00 C ATOM 249 OG SER A 16 5.607 4.183 -0.820 1.00 0.00 O ATOM 0 H SER A 16 1.730 3.965 -1.906 1.00 0.00 H new ATOM 0 HA SER A 16 3.395 5.294 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.116 2.968 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.158 3.145 -1.842 1.00 0.00 H new ATOM 0 HG SER A 16 6.244 3.449 -0.943 1.00 0.00 H new ATOM 255 N PRO A 17 4.072 7.027 -1.678 1.00 0.00 N ATOM 256 CA PRO A 17 4.202 8.089 -2.684 1.00 0.00 C ATOM 257 C PRO A 17 5.183 7.766 -3.828 1.00 0.00 C ATOM 258 O PRO A 17 5.218 8.486 -4.829 1.00 0.00 O ATOM 259 CB PRO A 17 4.631 9.333 -1.896 1.00 0.00 C ATOM 260 CG PRO A 17 5.363 8.756 -0.685 1.00 0.00 C ATOM 261 CD PRO A 17 4.574 7.481 -0.390 1.00 0.00 C ATOM 0 HA PRO A 17 3.255 8.228 -3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.281 9.978 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.772 9.934 -1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.408 8.543 -0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.351 9.444 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.209 6.725 0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.756 7.677 0.303 1.00 0.00 H new ATOM 269 N LYS A 18 5.960 6.682 -3.703 1.00 0.00 N ATOM 270 CA LYS A 18 6.891 6.162 -4.719 1.00 0.00 C ATOM 271 C LYS A 18 6.147 5.436 -5.847 1.00 0.00 C ATOM 272 O LYS A 18 6.167 5.903 -6.987 1.00 0.00 O ATOM 273 CB LYS A 18 7.928 5.268 -4.030 1.00 0.00 C ATOM 274 CG LYS A 18 9.007 6.081 -3.291 1.00 0.00 C ATOM 275 CD LYS A 18 9.555 5.295 -2.094 1.00 0.00 C ATOM 276 CE LYS A 18 8.611 5.434 -0.896 1.00 0.00 C ATOM 277 NZ LYS A 18 8.622 4.217 -0.050 1.00 0.00 N ATOM 0 H LYS A 18 5.958 6.117 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 18 7.411 6.993 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.424 4.611 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.404 4.629 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.820 6.323 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.586 7.027 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.666 4.244 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.546 5.663 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.905 6.296 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.598 5.623 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.168 4.424 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.101 3.456 -0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.604 3.916 0.112 1.00 0.00 H new ATOM 291 N SER A 19 5.460 4.330 -5.543 1.00 0.00 N ATOM 292 CA SER A 19 4.574 3.630 -6.481 1.00 0.00 C ATOM 293 C SER A 19 3.344 4.472 -6.855 1.00 0.00 C ATOM 294 O SER A 19 2.893 4.427 -8.000 1.00 0.00 O ATOM 295 CB SER A 19 4.114 2.301 -5.873 1.00 0.00 C ATOM 296 OG SER A 19 5.222 1.470 -5.572 1.00 0.00 O ATOM 0 H SER A 19 5.504 3.889 -4.624 1.00 0.00 H new ATOM 0 HA SER A 19 5.145 3.449 -7.392 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.540 2.491 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.449 1.789 -6.569 1.00 0.00 H new ATOM 0 HG SER A 19 5.779 1.902 -4.891 1.00 0.00 H new ATOM 302 N ARG A 20 2.805 5.249 -5.899 1.00 0.00 N ATOM 303 CA ARG A 20 1.581 6.084 -5.968 1.00 0.00 C ATOM 304 C ARG A 20 0.277 5.305 -6.246 1.00 0.00 C ATOM 305 O ARG A 20 -0.796 5.895 -6.357 1.00 0.00 O ATOM 306 CB ARG A 20 1.844 7.270 -6.922 1.00 0.00 C ATOM 307 CG ARG A 20 0.951 8.496 -6.662 1.00 0.00 C ATOM 308 CD ARG A 20 1.430 9.718 -7.463 1.00 0.00 C ATOM 309 NE ARG A 20 1.308 9.508 -8.920 1.00 0.00 N ATOM 310 CZ ARG A 20 1.929 10.166 -9.881 1.00 0.00 C ATOM 311 NH1 ARG A 20 2.754 11.148 -9.637 1.00 0.00 N ATOM 312 NH2 ARG A 20 1.732 9.848 -11.129 1.00 0.00 N ATOM 0 H ARG A 20 3.246 5.319 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 20 1.381 6.481 -4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.888 7.569 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.695 6.936 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.079 8.262 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.955 8.732 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.848 10.592 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.470 9.930 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 20 0.670 8.770 -9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.939 11.432 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.214 11.631 -10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.095 9.087 -11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.214 10.360 -11.868 1.00 0.00 H new ATOM 326 N THR A 21 0.356 3.979 -6.322 1.00 0.00 N ATOM 327 CA THR A 21 -0.745 3.013 -6.395 1.00 0.00 C ATOM 328 C THR A 21 -1.438 2.827 -5.034 1.00 0.00 C ATOM 329 O THR A 21 -0.967 3.349 -4.021 1.00 0.00 O ATOM 330 CB THR A 21 -0.172 1.672 -6.880 1.00 0.00 C ATOM 331 OG1 THR A 21 0.808 1.185 -5.992 1.00 0.00 O ATOM 332 CG2 THR A 21 0.549 1.795 -8.222 1.00 0.00 C ATOM 0 H THR A 21 1.263 3.512 -6.335 1.00 0.00 H new ATOM 0 HA THR A 21 -1.499 3.388 -7.088 1.00 0.00 H new ATOM 0 HB THR A 21 -1.036 1.011 -6.954 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.375 0.687 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.935 0.820 -8.519 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.149 2.155 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.376 2.499 -8.128 1.00 0.00 H new ATOM 340 N ILE A 22 -2.529 2.050 -4.981 1.00 0.00 N ATOM 341 CA ILE A 22 -3.206 1.678 -3.729 1.00 0.00 C ATOM 342 C ILE A 22 -3.194 0.153 -3.612 1.00 0.00 C ATOM 343 O ILE A 22 -3.782 -0.554 -4.432 1.00 0.00 O ATOM 344 CB ILE A 22 -4.633 2.261 -3.643 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.625 3.801 -3.796 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.288 1.864 -2.304 1.00 0.00 C ATOM 347 CD1 ILE A 22 -6.021 4.430 -3.885 1.00 0.00 C ATOM 0 H ILE A 22 -2.971 1.658 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.670 2.109 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.215 1.846 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.096 4.237 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.063 4.063 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.294 2.280 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.341 0.778 -2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.693 2.253 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.927 5.511 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.548 4.025 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.582 4.201 -2.979 1.00 0.00 H new ATOM 359 N PHE A 23 -2.527 -0.343 -2.578 1.00 0.00 N ATOM 360 CA PHE A 23 -2.435 -1.754 -2.211 1.00 0.00 C ATOM 361 C PHE A 23 -3.162 -2.029 -0.895 1.00 0.00 C ATOM 362 O PHE A 23 -3.601 -1.134 -0.175 1.00 0.00 O ATOM 363 CB PHE A 23 -0.976 -2.271 -2.231 1.00 0.00 C ATOM 364 CG PHE A 23 0.126 -1.238 -2.187 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.410 -0.565 -0.999 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.877 -0.956 -3.330 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.336 0.497 -0.986 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.849 0.055 -3.320 1.00 0.00 C ATOM 369 CZ PHE A 23 2.056 0.806 -2.153 1.00 0.00 C ATOM 0 H PHE A 23 -2.008 0.258 -1.938 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.952 -2.333 -2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.844 -2.941 -1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.842 -2.869 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.082 -0.859 -0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.707 -1.524 -4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.492 1.071 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.435 0.254 -4.205 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.767 1.619 -2.151 1.00 0.00 H new ATOM 379 N GLU A 24 -3.345 -3.309 -0.609 1.00 0.00 N ATOM 380 CA GLU A 24 -3.819 -3.790 0.681 1.00 0.00 C ATOM 381 C GLU A 24 -2.738 -3.520 1.747 1.00 0.00 C ATOM 382 O GLU A 24 -1.565 -3.833 1.512 1.00 0.00 O ATOM 383 CB GLU A 24 -4.082 -5.284 0.507 1.00 0.00 C ATOM 384 CG GLU A 24 -4.452 -6.060 1.774 1.00 0.00 C ATOM 385 CD GLU A 24 -5.865 -5.735 2.238 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.090 -4.604 2.710 1.00 0.00 O ATOM 387 OE2 GLU A 24 -6.755 -6.612 2.117 1.00 0.00 O ATOM 0 H GLU A 24 -3.165 -4.057 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.728 -3.287 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.887 -5.408 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.191 -5.740 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.368 -7.130 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.744 -5.821 2.567 1.00 0.00 H new ATOM 394 N LYS A 25 -3.106 -3.006 2.928 1.00 0.00 N ATOM 395 CA LYS A 25 -2.163 -2.748 4.030 1.00 0.00 C ATOM 396 C LYS A 25 -1.454 -4.037 4.418 1.00 0.00 C ATOM 397 O LYS A 25 -0.235 -4.058 4.568 1.00 0.00 O ATOM 398 CB LYS A 25 -2.885 -2.077 5.209 1.00 0.00 C ATOM 399 CG LYS A 25 -1.937 -1.440 6.241 1.00 0.00 C ATOM 400 CD LYS A 25 -1.548 -2.371 7.400 1.00 0.00 C ATOM 401 CE LYS A 25 -0.714 -1.588 8.424 1.00 0.00 C ATOM 402 NZ LYS A 25 -0.381 -2.418 9.609 1.00 0.00 N ATOM 0 H LYS A 25 -4.070 -2.756 3.149 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.394 -2.048 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.554 -1.308 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.507 -2.818 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.030 -1.114 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.411 -0.548 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.443 -2.773 7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.978 -3.220 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.205 -1.239 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.265 -0.703 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.225 -1.873 10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.257 -2.688 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.122 -3.275 9.302 1.00 0.00 H new ATOM 416 N SER A 26 -2.219 -5.124 4.504 1.00 0.00 N ATOM 417 CA SER A 26 -1.724 -6.461 4.833 1.00 0.00 C ATOM 418 C SER A 26 -0.716 -7.019 3.813 1.00 0.00 C ATOM 419 O SER A 26 0.283 -7.615 4.212 1.00 0.00 O ATOM 420 CB SER A 26 -2.883 -7.452 5.002 1.00 0.00 C ATOM 421 OG SER A 26 -3.885 -6.933 5.866 1.00 0.00 O ATOM 0 H SER A 26 -3.226 -5.099 4.343 1.00 0.00 H new ATOM 0 HA SER A 26 -1.191 -6.346 5.777 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.319 -7.674 4.028 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.505 -8.392 5.404 1.00 0.00 H new ATOM 0 HG SER A 26 -4.197 -7.641 6.467 1.00 0.00 H new ATOM 427 N LEU A 27 -0.947 -6.842 2.501 1.00 0.00 N ATOM 428 CA LEU A 27 -0.050 -7.346 1.464 1.00 0.00 C ATOM 429 C LEU A 27 1.218 -6.490 1.335 1.00 0.00 C ATOM 430 O LEU A 27 2.306 -7.042 1.166 1.00 0.00 O ATOM 431 CB LEU A 27 -0.777 -7.413 0.114 1.00 0.00 C ATOM 432 CG LEU A 27 -2.031 -8.310 -0.036 1.00 0.00 C ATOM 433 CD1 LEU A 27 -1.922 -9.103 -1.319 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.339 -9.283 1.102 1.00 0.00 C ATOM 0 H LEU A 27 -1.761 -6.346 2.137 1.00 0.00 H new ATOM 0 HA LEU A 27 0.256 -8.349 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.070 -6.397 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.052 -7.739 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.859 -7.601 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.802 -9.737 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.858 -8.419 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.028 -9.726 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.242 -9.846 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.504 -9.972 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.491 -8.726 2.026 1.00 0.00 H new ATOM 446 N LEU A 28 1.107 -5.159 1.465 1.00 0.00 N ATOM 447 CA LEU A 28 2.293 -4.299 1.551 1.00 0.00 C ATOM 448 C LEU A 28 3.118 -4.705 2.776 1.00 0.00 C ATOM 449 O LEU A 28 4.328 -4.869 2.661 1.00 0.00 O ATOM 450 CB LEU A 28 1.946 -2.805 1.630 1.00 0.00 C ATOM 451 CG LEU A 28 3.227 -1.927 1.616 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.861 -1.837 0.227 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.885 -0.543 2.143 1.00 0.00 C ATOM 0 H LEU A 28 0.218 -4.661 1.512 1.00 0.00 H new ATOM 0 HA LEU A 28 2.866 -4.440 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.307 -2.533 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.378 -2.609 2.539 1.00 0.00 H new ATOM 0 HG LEU A 28 3.969 -2.399 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.753 -1.212 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.135 -2.836 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.147 -1.399 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.779 0.080 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.123 -0.090 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.507 -0.625 3.162 1.00 0.00 H new ATOM 465 N GLU A 29 2.471 -4.906 3.932 1.00 0.00 N ATOM 466 CA GLU A 29 3.129 -5.327 5.183 1.00 0.00 C ATOM 467 C GLU A 29 3.945 -6.621 4.999 1.00 0.00 C ATOM 468 O GLU A 29 5.065 -6.734 5.506 1.00 0.00 O ATOM 469 CB GLU A 29 2.095 -5.454 6.315 1.00 0.00 C ATOM 470 CG GLU A 29 2.733 -5.736 7.680 1.00 0.00 C ATOM 471 CD GLU A 29 1.660 -5.776 8.784 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.120 -4.701 9.143 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.352 -6.876 9.303 1.00 0.00 O ATOM 0 H GLU A 29 1.463 -4.780 4.029 1.00 0.00 H new ATOM 0 HA GLU A 29 3.844 -4.554 5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.515 -4.533 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.397 -6.256 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.265 -6.687 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.469 -4.966 7.909 1.00 0.00 H new ATOM 480 N GLN A 30 3.438 -7.566 4.202 1.00 0.00 N ATOM 481 CA GLN A 30 4.178 -8.767 3.810 1.00 0.00 C ATOM 482 C GLN A 30 5.443 -8.419 3.006 1.00 0.00 C ATOM 483 O GLN A 30 6.548 -8.848 3.342 1.00 0.00 O ATOM 484 CB GLN A 30 3.252 -9.698 3.013 1.00 0.00 C ATOM 485 CG GLN A 30 3.792 -11.134 2.960 1.00 0.00 C ATOM 486 CD GLN A 30 2.841 -12.064 2.209 1.00 0.00 C ATOM 487 OE1 GLN A 30 2.915 -12.229 0.998 1.00 0.00 O ATOM 488 NE2 GLN A 30 1.915 -12.710 2.889 1.00 0.00 N ATOM 0 H GLN A 30 2.498 -7.518 3.809 1.00 0.00 H new ATOM 0 HA GLN A 30 4.512 -9.280 4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.261 -9.699 3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.138 -9.315 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.767 -11.139 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.940 -11.505 3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.841 -12.583 3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.272 -13.337 2.406 1.00 0.00 H new ATOM 497 N TYR A 31 5.301 -7.615 1.948 1.00 0.00 N ATOM 498 CA TYR A 31 6.402 -7.284 1.037 1.00 0.00 C ATOM 499 C TYR A 31 7.481 -6.424 1.716 1.00 0.00 C ATOM 500 O TYR A 31 8.685 -6.588 1.497 1.00 0.00 O ATOM 501 CB TYR A 31 5.814 -6.594 -0.200 1.00 0.00 C ATOM 502 CG TYR A 31 6.810 -6.401 -1.327 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.392 -7.521 -1.946 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.162 -5.111 -1.756 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.301 -7.356 -3.010 1.00 0.00 C ATOM 506 CE2 TYR A 31 8.120 -4.946 -2.776 1.00 0.00 C ATOM 507 CZ TYR A 31 8.687 -6.062 -3.414 1.00 0.00 C ATOM 508 OH TYR A 31 9.594 -5.885 -4.415 1.00 0.00 O ATOM 0 H TYR A 31 4.416 -7.174 1.698 1.00 0.00 H new ATOM 0 HA TYR A 31 6.908 -8.202 0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.974 -7.183 -0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.418 -5.622 0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.141 -8.514 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.699 -4.246 -1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.702 -8.222 -3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.421 -3.952 -3.070 1.00 0.00 H new ATOM 0 HH TYR A 31 9.739 -4.927 -4.560 1.00 0.00 H new ATOM 518 N VAL A 32 7.050 -5.532 2.607 1.00 0.00 N ATOM 519 CA VAL A 32 7.902 -4.568 3.304 1.00 0.00 C ATOM 520 C VAL A 32 8.604 -5.167 4.543 1.00 0.00 C ATOM 521 O VAL A 32 9.580 -4.612 5.047 1.00 0.00 O ATOM 522 CB VAL A 32 7.071 -3.304 3.618 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.209 -3.499 4.863 1.00 0.00 C ATOM 524 CG2 VAL A 32 7.880 -2.030 3.838 1.00 0.00 C ATOM 0 H VAL A 32 6.068 -5.458 2.872 1.00 0.00 H new ATOM 0 HA VAL A 32 8.726 -4.285 2.649 1.00 0.00 H new ATOM 0 HB VAL A 32 6.471 -3.172 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.637 -2.591 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.524 -4.332 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.849 -3.713 5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.204 -1.202 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.558 -2.171 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.457 -1.806 2.941 1.00 0.00 H new ATOM 534 N LYS A 33 8.150 -6.328 5.031 1.00 0.00 N ATOM 535 CA LYS A 33 8.869 -7.131 6.046 1.00 0.00 C ATOM 536 C LYS A 33 9.735 -8.223 5.393 1.00 0.00 C ATOM 537 O LYS A 33 10.623 -8.777 6.038 1.00 0.00 O ATOM 538 CB LYS A 33 7.919 -7.655 7.140 1.00 0.00 C ATOM 539 CG LYS A 33 7.127 -8.921 6.773 1.00 0.00 C ATOM 540 CD LYS A 33 6.043 -9.265 7.807 1.00 0.00 C ATOM 541 CE LYS A 33 6.640 -9.658 9.165 1.00 0.00 C ATOM 542 NZ LYS A 33 5.581 -10.026 10.141 1.00 0.00 N ATOM 0 H LYS A 33 7.268 -6.745 4.735 1.00 0.00 H new ATOM 0 HA LYS A 33 9.568 -6.474 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.503 -7.859 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.212 -6.865 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.661 -8.783 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.815 -9.761 6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.382 -8.408 7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.431 -10.085 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.323 -10.497 9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.227 -8.828 9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.020 -10.286 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.944 -9.216 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.037 -10.834 9.775 1.00 0.00 H new ATOM 556 N ASP A 34 9.519 -8.483 4.100 1.00 0.00 N ATOM 557 CA ASP A 34 10.359 -9.327 3.236 1.00 0.00 C ATOM 558 C ASP A 34 11.668 -8.617 2.859 1.00 0.00 C ATOM 559 O ASP A 34 12.763 -9.127 3.112 1.00 0.00 O ATOM 560 CB ASP A 34 9.594 -9.683 1.945 1.00 0.00 C ATOM 561 CG ASP A 34 9.357 -11.196 1.810 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.349 -11.946 1.653 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.187 -11.645 1.848 1.00 0.00 O ATOM 0 H ASP A 34 8.718 -8.095 3.602 1.00 0.00 H new ATOM 0 HA ASP A 34 10.601 -10.232 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.635 -9.165 1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.156 -9.326 1.082 1.00 0.00 H new ATOM 568 N THR A 35 11.547 -7.434 2.245 1.00 0.00 N ATOM 569 CA THR A 35 12.675 -6.629 1.730 1.00 0.00 C ATOM 570 C THR A 35 12.576 -5.159 2.127 1.00 0.00 C ATOM 571 O THR A 35 13.580 -4.446 2.137 1.00 0.00 O ATOM 572 CB THR A 35 12.763 -6.685 0.196 1.00 0.00 C ATOM 573 OG1 THR A 35 11.577 -6.167 -0.375 1.00 0.00 O ATOM 574 CG2 THR A 35 12.993 -8.089 -0.359 1.00 0.00 C ATOM 0 H THR A 35 10.641 -6.994 2.086 1.00 0.00 H new ATOM 0 HA THR A 35 13.565 -7.070 2.179 1.00 0.00 H new ATOM 0 HB THR A 35 13.631 -6.083 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.641 -6.204 -1.352 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.044 -8.046 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.930 -8.486 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.170 -8.738 -0.059 1.00 0.00 H new ATOM 582 N GLY A 36 11.364 -4.697 2.445 1.00 0.00 N ATOM 583 CA GLY A 36 11.060 -3.293 2.683 1.00 0.00 C ATOM 584 C GLY A 36 10.773 -2.503 1.407 1.00 0.00 C ATOM 585 O GLY A 36 10.289 -1.380 1.484 1.00 0.00 O ATOM 0 H GLY A 36 10.552 -5.306 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.196 -3.224 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.899 -2.832 3.205 1.00 0.00 H new ATOM 589 N ASN A 37 11.039 -3.056 0.231 1.00 0.00 N ATOM 590 CA ASN A 37 10.941 -2.329 -1.028 1.00 0.00 C ATOM 591 C ASN A 37 9.499 -1.905 -1.373 1.00 0.00 C ATOM 592 O ASN A 37 8.530 -2.534 -0.949 1.00 0.00 O ATOM 593 CB ASN A 37 11.500 -3.260 -2.119 1.00 0.00 C ATOM 594 CG ASN A 37 12.995 -3.528 -2.023 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.755 -2.832 -1.366 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.473 -4.547 -2.702 1.00 0.00 N ATOM 0 H ASN A 37 11.331 -4.027 0.123 1.00 0.00 H new ATOM 0 HA ASN A 37 11.506 -1.400 -0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.971 -4.212 -2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.285 -2.824 -3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.472 -4.752 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.845 -5.133 -3.253 1.00 0.00 H new ATOM 603 N ASP A 38 9.347 -0.832 -2.149 1.00 0.00 N ATOM 604 CA ASP A 38 8.060 -0.485 -2.769 1.00 0.00 C ATOM 605 C ASP A 38 7.792 -1.519 -3.888 1.00 0.00 C ATOM 606 O ASP A 38 8.723 -1.886 -4.610 1.00 0.00 O ATOM 607 CB ASP A 38 8.087 0.920 -3.393 1.00 0.00 C ATOM 608 CG ASP A 38 7.154 1.897 -2.673 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.368 2.203 -1.474 1.00 0.00 O ATOM 610 OD2 ASP A 38 6.195 2.370 -3.322 1.00 0.00 O ATOM 0 H ASP A 38 10.102 -0.182 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 38 7.283 -0.495 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.105 1.307 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.800 0.854 -4.442 1.00 0.00 H new ATOM 615 N PRO A 39 6.551 -1.977 -4.105 1.00 0.00 N ATOM 616 CA PRO A 39 6.254 -3.087 -5.024 1.00 0.00 C ATOM 617 C PRO A 39 6.496 -2.792 -6.518 1.00 0.00 C ATOM 618 O PRO A 39 6.408 -3.719 -7.327 1.00 0.00 O ATOM 619 CB PRO A 39 4.788 -3.432 -4.745 1.00 0.00 C ATOM 620 CG PRO A 39 4.208 -2.110 -4.250 1.00 0.00 C ATOM 621 CD PRO A 39 5.349 -1.516 -3.439 1.00 0.00 C ATOM 0 HA PRO A 39 6.940 -3.913 -4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.279 -3.784 -5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.695 -4.218 -3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.921 -1.461 -5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.317 -2.263 -3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.298 -0.427 -3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.316 -1.853 -2.403 1.00 0.00 H new ATOM 629 N ILE A 40 6.806 -1.544 -6.904 1.00 0.00 N ATOM 630 CA ILE A 40 6.967 -1.120 -8.310 1.00 0.00 C ATOM 631 C ILE A 40 8.307 -0.411 -8.541 1.00 0.00 C ATOM 632 O ILE A 40 9.015 -0.744 -9.493 1.00 0.00 O ATOM 633 CB ILE A 40 5.755 -0.264 -8.752 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.507 -1.160 -8.924 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.011 0.500 -10.067 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.206 -0.391 -8.707 1.00 0.00 C ATOM 0 H ILE A 40 6.955 -0.786 -6.238 1.00 0.00 H new ATOM 0 HA ILE A 40 6.989 -2.009 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 40 5.591 0.474 -7.966 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.508 -1.592 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.558 -1.989 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.127 1.083 -10.327 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.862 1.169 -9.939 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.225 -0.211 -10.865 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.359 -1.064 -8.839 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.190 0.019 -7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.139 0.422 -9.430 1.00 0.00 H new ATOM 648 N THR A 41 8.679 0.542 -7.679 1.00 0.00 N ATOM 649 CA THR A 41 9.968 1.257 -7.797 1.00 0.00 C ATOM 650 C THR A 41 11.135 0.498 -7.158 1.00 0.00 C ATOM 651 O THR A 41 12.296 0.849 -7.378 1.00 0.00 O ATOM 652 CB THR A 41 9.914 2.659 -7.188 1.00 0.00 C ATOM 653 OG1 THR A 41 9.476 2.539 -5.866 1.00 0.00 O ATOM 654 CG2 THR A 41 8.940 3.586 -7.916 1.00 0.00 C ATOM 0 H THR A 41 8.108 0.841 -6.888 1.00 0.00 H new ATOM 0 HA THR A 41 10.142 1.332 -8.870 1.00 0.00 H new ATOM 0 HB THR A 41 10.912 3.091 -7.266 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.498 2.601 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.945 4.566 -7.439 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.244 3.688 -8.958 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.935 3.166 -7.871 1.00 0.00 H new ATOM 662 N ASN A 42 10.837 -0.543 -6.367 1.00 0.00 N ATOM 663 CA ASN A 42 11.729 -1.284 -5.487 1.00 0.00 C ATOM 664 C ASN A 42 12.614 -0.420 -4.571 1.00 0.00 C ATOM 665 O ASN A 42 13.661 -0.869 -4.102 1.00 0.00 O ATOM 666 CB ASN A 42 12.399 -2.442 -6.238 1.00 0.00 C ATOM 667 CG ASN A 42 13.538 -2.056 -7.174 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.444 -2.177 -8.390 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.665 -1.632 -6.652 1.00 0.00 N ATOM 0 H ASN A 42 9.887 -0.912 -6.329 1.00 0.00 H new ATOM 0 HA ASN A 42 11.119 -1.767 -4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.781 -3.152 -5.505 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.637 -2.962 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.454 -1.406 -7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.752 -1.528 -5.641 1.00 0.00 H new ATOM 676 N GLU A 43 12.176 0.808 -4.279 1.00 0.00 N ATOM 677 CA GLU A 43 12.842 1.717 -3.343 1.00 0.00 C ATOM 678 C GLU A 43 12.772 1.162 -1.905 1.00 0.00 C ATOM 679 O GLU A 43 11.657 0.953 -1.413 1.00 0.00 O ATOM 680 CB GLU A 43 12.145 3.075 -3.424 1.00 0.00 C ATOM 681 CG GLU A 43 12.404 3.778 -4.761 1.00 0.00 C ATOM 682 CD GLU A 43 13.511 4.841 -4.644 1.00 0.00 C ATOM 683 OE1 GLU A 43 14.704 4.467 -4.529 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.201 6.056 -4.669 1.00 0.00 O ATOM 0 H GLU A 43 11.333 1.205 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 43 13.895 1.818 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.072 2.940 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.492 3.709 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.687 3.039 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.484 4.248 -5.108 1.00 0.00 H new ATOM 691 N PRO A 44 13.906 0.880 -1.229 1.00 0.00 N ATOM 692 CA PRO A 44 13.925 0.336 0.131 1.00 0.00 C ATOM 693 C PRO A 44 13.119 1.162 1.148 1.00 0.00 C ATOM 694 O PRO A 44 13.275 2.384 1.232 1.00 0.00 O ATOM 695 CB PRO A 44 15.402 0.261 0.532 1.00 0.00 C ATOM 696 CG PRO A 44 16.125 0.123 -0.804 1.00 0.00 C ATOM 697 CD PRO A 44 15.269 0.976 -1.738 1.00 0.00 C ATOM 0 HA PRO A 44 13.440 -0.640 0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.718 1.155 1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.598 -0.590 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 44 17.151 0.487 -0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 44 16.173 -0.915 -1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.611 2.011 -1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.329 0.613 -2.764 1.00 0.00 H new ATOM 705 N LEU A 45 12.312 0.454 1.947 1.00 0.00 N ATOM 706 CA LEU A 45 11.370 0.926 2.979 1.00 0.00 C ATOM 707 C LEU A 45 10.129 1.626 2.383 1.00 0.00 C ATOM 708 O LEU A 45 10.198 2.374 1.404 1.00 0.00 O ATOM 709 CB LEU A 45 12.056 1.725 4.111 1.00 0.00 C ATOM 710 CG LEU A 45 12.878 0.871 5.101 1.00 0.00 C ATOM 711 CD1 LEU A 45 14.195 0.344 4.525 1.00 0.00 C ATOM 712 CD2 LEU A 45 13.218 1.704 6.337 1.00 0.00 C ATOM 0 H LEU A 45 12.298 -0.564 1.884 1.00 0.00 H new ATOM 0 HA LEU A 45 10.986 0.030 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.713 2.470 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.292 2.267 4.668 1.00 0.00 H new ATOM 0 HG LEU A 45 12.251 0.012 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.713 -0.246 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.988 -0.281 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.823 1.183 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.798 1.100 7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.801 2.575 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.297 2.032 6.820 1.00 0.00 H new ATOM 724 N SER A 46 8.970 1.375 3.003 1.00 0.00 N ATOM 725 CA SER A 46 7.626 1.740 2.524 1.00 0.00 C ATOM 726 C SER A 46 6.735 2.212 3.671 1.00 0.00 C ATOM 727 O SER A 46 6.113 3.266 3.593 1.00 0.00 O ATOM 728 CB SER A 46 6.970 0.579 1.770 1.00 0.00 C ATOM 729 OG SER A 46 6.146 1.065 0.728 1.00 0.00 O ATOM 0 H SER A 46 8.940 0.887 3.898 1.00 0.00 H new ATOM 0 HA SER A 46 7.744 2.570 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.739 -0.075 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.377 -0.021 2.460 1.00 0.00 H new ATOM 0 HG SER A 46 6.706 1.441 0.017 1.00 0.00 H new ATOM 735 N ILE A 47 6.744 1.474 4.785 1.00 0.00 N ATOM 736 CA ILE A 47 6.027 1.800 6.027 1.00 0.00 C ATOM 737 C ILE A 47 6.460 3.110 6.689 1.00 0.00 C ATOM 738 O ILE A 47 5.633 3.841 7.232 1.00 0.00 O ATOM 739 CB ILE A 47 6.030 0.589 6.994 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.095 -0.530 6.476 1.00 0.00 C ATOM 741 CG2 ILE A 47 5.691 0.931 8.454 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.585 -0.277 6.613 1.00 0.00 C ATOM 0 H ILE A 47 7.269 0.602 4.852 1.00 0.00 H new ATOM 0 HA ILE A 47 4.993 1.997 5.743 1.00 0.00 H new ATOM 0 HB ILE A 47 7.062 0.238 7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.318 -0.702 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.337 -1.450 7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.717 0.023 9.056 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.420 1.643 8.840 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.694 1.370 8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.036 -1.131 6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.333 -0.141 7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.314 0.620 6.056 1.00 0.00 H new ATOM 754 N GLU A 48 7.725 3.484 6.554 1.00 0.00 N ATOM 755 CA GLU A 48 8.285 4.766 6.933 1.00 0.00 C ATOM 756 C GLU A 48 7.715 5.930 6.093 1.00 0.00 C ATOM 757 O GLU A 48 7.865 7.098 6.454 1.00 0.00 O ATOM 758 CB GLU A 48 9.811 4.576 6.842 1.00 0.00 C ATOM 759 CG GLU A 48 10.542 5.310 5.713 1.00 0.00 C ATOM 760 CD GLU A 48 12.080 5.248 5.832 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.625 5.375 6.955 1.00 0.00 O ATOM 762 OE2 GLU A 48 12.763 5.139 4.785 1.00 0.00 O ATOM 0 H GLU A 48 8.426 2.861 6.153 1.00 0.00 H new ATOM 0 HA GLU A 48 8.010 5.064 7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.248 4.893 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.013 3.510 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.242 4.880 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.228 6.354 5.706 1.00 0.00 H new ATOM 769 N GLU A 49 7.016 5.608 4.998 1.00 0.00 N ATOM 770 CA GLU A 49 6.399 6.557 4.055 1.00 0.00 C ATOM 771 C GLU A 49 4.886 6.314 3.869 1.00 0.00 C ATOM 772 O GLU A 49 4.248 6.922 3.005 1.00 0.00 O ATOM 773 CB GLU A 49 7.154 6.506 2.711 1.00 0.00 C ATOM 774 CG GLU A 49 8.572 7.097 2.758 1.00 0.00 C ATOM 775 CD GLU A 49 8.621 8.595 3.138 1.00 0.00 C ATOM 776 OE1 GLU A 49 7.706 9.369 2.766 1.00 0.00 O ATOM 777 OE2 GLU A 49 9.612 9.024 3.777 1.00 0.00 O ATOM 0 H GLU A 49 6.856 4.637 4.731 1.00 0.00 H new ATOM 0 HA GLU A 49 6.485 7.558 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.216 5.469 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.574 7.044 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.166 6.532 3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.041 6.965 1.783 1.00 0.00 H new ATOM 784 N ILE A 50 4.302 5.428 4.680 1.00 0.00 N ATOM 785 CA ILE A 50 2.923 4.947 4.551 1.00 0.00 C ATOM 786 C ILE A 50 1.868 6.061 4.611 1.00 0.00 C ATOM 787 O ILE A 50 1.859 6.923 5.496 1.00 0.00 O ATOM 788 CB ILE A 50 2.652 3.825 5.575 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.483 2.903 5.186 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.448 4.325 7.015 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.796 2.069 3.935 1.00 0.00 C ATOM 0 H ILE A 50 4.792 5.011 5.471 1.00 0.00 H new ATOM 0 HA ILE A 50 2.824 4.533 3.548 1.00 0.00 H new ATOM 0 HB ILE A 50 3.573 3.243 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.255 2.236 6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.592 3.504 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.263 3.475 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.342 4.853 7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.594 5.002 7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.943 1.434 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.997 2.734 3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.671 1.446 4.122 1.00 0.00 H new ATOM 803 N VAL A 51 0.946 6.001 3.656 1.00 0.00 N ATOM 804 CA VAL A 51 -0.286 6.802 3.560 1.00 0.00 C ATOM 805 C VAL A 51 -1.495 5.862 3.539 1.00 0.00 C ATOM 806 O VAL A 51 -1.865 5.340 2.490 1.00 0.00 O ATOM 807 CB VAL A 51 -0.261 7.730 2.326 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.518 8.612 2.261 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.956 8.665 2.330 1.00 0.00 C ATOM 0 H VAL A 51 1.038 5.352 2.874 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.360 7.451 4.432 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.214 7.067 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.468 9.253 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.404 7.979 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.575 9.230 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.931 9.299 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.932 9.289 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.871 8.072 2.326 1.00 0.00 H new ATOM 819 N GLU A 52 -2.116 5.589 4.690 1.00 0.00 N ATOM 820 CA GLU A 52 -3.375 4.825 4.715 1.00 0.00 C ATOM 821 C GLU A 52 -4.555 5.697 4.244 1.00 0.00 C ATOM 822 O GLU A 52 -4.694 6.848 4.667 1.00 0.00 O ATOM 823 CB GLU A 52 -3.673 4.176 6.086 1.00 0.00 C ATOM 824 CG GLU A 52 -2.463 3.847 6.977 1.00 0.00 C ATOM 825 CD GLU A 52 -2.930 3.164 8.274 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.222 1.945 8.252 1.00 0.00 O ATOM 827 OE2 GLU A 52 -3.020 3.844 9.326 1.00 0.00 O ATOM 0 H GLU A 52 -1.777 5.879 5.607 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.246 4.000 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.332 4.843 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.227 3.254 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.774 3.194 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.917 4.760 7.214 1.00 0.00 H new ATOM 834 N ILE A 53 -5.413 5.153 3.372 1.00 0.00 N ATOM 835 CA ILE A 53 -6.600 5.857 2.847 1.00 0.00 C ATOM 836 C ILE A 53 -7.730 5.851 3.893 1.00 0.00 C ATOM 837 O ILE A 53 -8.481 6.825 4.000 1.00 0.00 O ATOM 838 CB ILE A 53 -7.047 5.220 1.502 1.00 0.00 C ATOM 839 CG1 ILE A 53 -6.169 5.658 0.304 1.00 0.00 C ATOM 840 CG2 ILE A 53 -8.501 5.562 1.121 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.716 5.173 0.327 1.00 0.00 C ATOM 0 H ILE A 53 -5.307 4.207 3.006 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.346 6.898 2.649 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.943 4.150 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.636 5.301 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.168 6.747 0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.750 5.087 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.175 5.199 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.607 6.642 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.196 5.539 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.220 5.551 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.696 4.083 0.335 1.00 0.00 H new