USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=6 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 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0826) USER MOD Single : A 9 GLN : amide:sc= -0.0611 X(o=-0.061,f=-0.26) USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= -0.0473 (180deg=-0.269) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.993 K(o=-0.99,f=-2.7!) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.0567 (180deg=-0.385) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0217 K(o=-0.022,f=-0.77) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.596 -0.185 -1.380 1.00 72.42 N ATOM 19 CA ALA A 2 4.945 -0.677 -1.631 1.00 11.02 C ATOM 20 C ALA A 2 5.992 0.313 -1.132 1.00 54.50 C ATOM 21 O ALA A 2 6.346 1.262 -1.831 1.00 33.11 O ATOM 22 CB ALA A 2 5.140 -0.951 -3.115 1.00 14.12 C ATOM 0 HA ALA A 2 5.073 -1.609 -1.081 1.00 11.02 H new ATOM 0 HB1 ALA A 2 6.152 -1.318 -3.287 1.00 14.12 H new ATOM 0 HB2 ALA A 2 4.421 -1.701 -3.444 1.00 14.12 H new ATOM 0 HB3 ALA A 2 4.987 -0.030 -3.678 1.00 14.12 H new ATOM 28 N GLY A 3 6.483 0.087 0.083 1.00 60.25 N ATOM 29 CA GLY A 3 7.484 0.969 0.654 1.00 31.43 C ATOM 30 C GLY A 3 8.897 0.477 0.411 1.00 31.31 C ATOM 31 O GLY A 3 9.784 0.679 1.241 1.00 51.14 O ATOM 0 H GLY A 3 6.205 -0.691 0.682 1.00 60.25 H new ATOM 0 HA2 GLY A 3 7.371 1.966 0.227 1.00 31.43 H new ATOM 0 HA3 GLY A 3 7.314 1.060 1.727 1.00 31.43 H new ATOM 35 N PHE A 4 9.108 -0.173 -0.729 1.00 34.12 N ATOM 36 CA PHE A 4 10.423 -0.698 -1.078 1.00 35.13 C ATOM 37 C PHE A 4 10.999 0.036 -2.285 1.00 14.43 C ATOM 38 O PHE A 4 11.997 0.749 -2.174 1.00 0.32 O ATOM 39 CB PHE A 4 10.335 -2.197 -1.373 1.00 12.03 C ATOM 40 CG PHE A 4 11.623 -2.786 -1.873 1.00 53.35 C ATOM 41 CD1 PHE A 4 12.632 -3.132 -0.989 1.00 52.43 C ATOM 42 CD2 PHE A 4 11.824 -2.993 -3.229 1.00 4.34 C ATOM 43 CE1 PHE A 4 13.818 -3.674 -1.447 1.00 0.13 C ATOM 44 CE2 PHE A 4 13.008 -3.535 -3.692 1.00 22.02 C ATOM 45 CZ PHE A 4 14.007 -3.875 -2.800 1.00 53.10 C ATOM 0 H PHE A 4 8.385 -0.349 -1.427 1.00 34.12 H new ATOM 0 HA PHE A 4 11.087 -0.540 -0.228 1.00 35.13 H new ATOM 0 HB2 PHE A 4 10.033 -2.721 -0.466 1.00 12.03 H new ATOM 0 HB3 PHE A 4 9.555 -2.368 -2.114 1.00 12.03 H new ATOM 0 HD1 PHE A 4 12.490 -2.976 0.070 1.00 52.43 H new ATOM 0 HD2 PHE A 4 11.047 -2.728 -3.931 1.00 4.34 H new ATOM 0 HE1 PHE A 4 14.596 -3.940 -0.747 1.00 0.13 H new ATOM 0 HE2 PHE A 4 13.152 -3.693 -4.751 1.00 22.02 H new ATOM 0 HZ PHE A 4 14.934 -4.297 -3.160 1.00 53.10 H new ATOM 55 N LEU A 5 10.363 -0.143 -3.437 1.00 62.14 N ATOM 56 CA LEU A 5 10.812 0.502 -4.667 1.00 34.42 C ATOM 57 C LEU A 5 10.843 2.018 -4.506 1.00 40.12 C ATOM 58 O LEU A 5 11.556 2.715 -5.229 1.00 14.43 O ATOM 59 CB LEU A 5 9.895 0.119 -5.830 1.00 52.31 C ATOM 60 CG LEU A 5 10.202 -1.211 -6.518 1.00 25.31 C ATOM 61 CD1 LEU A 5 8.919 -1.877 -6.990 1.00 64.05 C ATOM 62 CD2 LEU A 5 11.157 -1.001 -7.684 1.00 41.41 C ATOM 0 H LEU A 5 9.535 -0.729 -3.546 1.00 62.14 H new ATOM 0 HA LEU A 5 11.824 0.158 -4.881 1.00 34.42 H new ATOM 0 HB2 LEU A 5 8.870 0.086 -5.462 1.00 52.31 H new ATOM 0 HB3 LEU A 5 9.940 0.911 -6.578 1.00 52.31 H new ATOM 0 HG LEU A 5 10.683 -1.869 -5.795 1.00 25.31 H new ATOM 0 HD11 LEU A 5 9.158 -2.822 -7.477 1.00 64.05 H new ATOM 0 HD12 LEU A 5 8.270 -2.063 -6.134 1.00 64.05 H new ATOM 0 HD13 LEU A 5 8.408 -1.223 -7.697 1.00 64.05 H new ATOM 0 HD21 LEU A 5 11.364 -1.959 -8.162 1.00 41.41 H new ATOM 0 HD22 LEU A 5 10.703 -0.325 -8.409 1.00 41.41 H new ATOM 0 HD23 LEU A 5 12.088 -0.569 -7.318 1.00 41.41 H new ATOM 74 N LYS A 6 10.067 2.523 -3.553 1.00 3.11 N ATOM 75 CA LYS A 6 10.008 3.957 -3.294 1.00 32.33 C ATOM 76 C LYS A 6 11.187 4.404 -2.435 1.00 34.40 C ATOM 77 O LYS A 6 11.720 5.498 -2.617 1.00 25.11 O ATOM 78 CB LYS A 6 8.692 4.316 -2.599 1.00 42.14 C ATOM 79 CG LYS A 6 8.165 5.691 -2.970 1.00 53.32 C ATOM 80 CD LYS A 6 7.324 6.286 -1.853 1.00 75.31 C ATOM 81 CE LYS A 6 7.131 7.783 -2.037 1.00 1.33 C ATOM 82 NZ LYS A 6 6.555 8.109 -3.371 1.00 33.04 N ATOM 0 H LYS A 6 9.470 1.960 -2.947 1.00 3.11 H new ATOM 0 HA LYS A 6 10.061 4.477 -4.251 1.00 32.33 H new ATOM 0 HB2 LYS A 6 7.941 3.568 -2.852 1.00 42.14 H new ATOM 0 HB3 LYS A 6 8.836 4.270 -1.520 1.00 42.14 H new ATOM 0 HG2 LYS A 6 9.001 6.355 -3.190 1.00 53.32 H new ATOM 0 HG3 LYS A 6 7.567 5.619 -3.878 1.00 53.32 H new ATOM 0 HD2 LYS A 6 6.352 5.793 -1.826 1.00 75.31 H new ATOM 0 HD3 LYS A 6 7.805 6.095 -0.893 1.00 75.31 H new ATOM 0 HE2 LYS A 6 6.474 8.163 -1.255 1.00 1.33 H new ATOM 0 HE3 LYS A 6 8.089 8.289 -1.922 1.00 1.33 H new ATOM 0 HZ1 LYS A 6 6.297 9.116 -3.401 1.00 33.04 H new ATOM 0 HZ2 LYS A 6 7.258 7.909 -4.111 1.00 33.04 H new ATOM 0 HZ3 LYS A 6 5.707 7.530 -3.534 1.00 33.04 H new ATOM 96 N VAL A 7 11.589 3.549 -1.499 1.00 41.34 N ATOM 97 CA VAL A 7 12.707 3.855 -0.614 1.00 54.44 C ATOM 98 C VAL A 7 14.035 3.463 -1.251 1.00 2.10 C ATOM 99 O VAL A 7 15.104 3.808 -0.746 1.00 53.34 O ATOM 100 CB VAL A 7 12.565 3.133 0.739 1.00 41.23 C ATOM 101 CG1 VAL A 7 11.332 3.625 1.480 1.00 14.33 C ATOM 102 CG2 VAL A 7 12.509 1.627 0.535 1.00 62.22 C ATOM 0 H VAL A 7 11.157 2.640 -1.334 1.00 41.34 H new ATOM 0 HA VAL A 7 12.693 4.932 -0.446 1.00 54.44 H new ATOM 0 HB VAL A 7 13.440 3.362 1.347 1.00 41.23 H new ATOM 0 HG11 VAL A 7 11.248 3.104 2.434 1.00 14.33 H new ATOM 0 HG12 VAL A 7 11.419 4.697 1.659 1.00 14.33 H new ATOM 0 HG13 VAL A 7 10.444 3.428 0.880 1.00 14.33 H new ATOM 0 HG21 VAL A 7 12.409 1.132 1.501 1.00 62.22 H new ATOM 0 HG22 VAL A 7 11.653 1.376 -0.092 1.00 62.22 H new ATOM 0 HG23 VAL A 7 13.425 1.291 0.049 1.00 62.22 H new ATOM 112 N VAL A 8 13.961 2.739 -2.363 1.00 42.35 N ATOM 113 CA VAL A 8 15.158 2.301 -3.071 1.00 62.32 C ATOM 114 C VAL A 8 15.486 3.237 -4.229 1.00 22.12 C ATOM 115 O VAL A 8 16.636 3.330 -4.657 1.00 41.11 O ATOM 116 CB VAL A 8 14.996 0.868 -3.614 1.00 2.33 C ATOM 117 CG1 VAL A 8 16.222 0.459 -4.416 1.00 51.43 C ATOM 118 CG2 VAL A 8 14.745 -0.107 -2.474 1.00 60.40 C ATOM 0 H VAL A 8 13.085 2.443 -2.793 1.00 42.35 H new ATOM 0 HA VAL A 8 15.976 2.319 -2.351 1.00 62.32 H new ATOM 0 HB VAL A 8 14.133 0.845 -4.279 1.00 2.33 H new ATOM 0 HG11 VAL A 8 16.089 -0.556 -4.791 1.00 51.43 H new ATOM 0 HG12 VAL A 8 16.352 1.142 -5.255 1.00 51.43 H new ATOM 0 HG13 VAL A 8 17.104 0.497 -3.777 1.00 51.43 H new ATOM 0 HG21 VAL A 8 14.633 -1.114 -2.875 1.00 60.40 H new ATOM 0 HG22 VAL A 8 15.587 -0.083 -1.783 1.00 60.40 H new ATOM 0 HG23 VAL A 8 13.835 0.177 -1.946 1.00 60.40 H new ATOM 128 N GLN A 9 14.468 3.928 -4.730 1.00 51.51 N ATOM 129 CA GLN A 9 14.649 4.858 -5.839 1.00 74.10 C ATOM 130 C GLN A 9 15.421 6.095 -5.392 1.00 73.12 C ATOM 131 O GLN A 9 16.047 6.776 -6.205 1.00 51.22 O ATOM 132 CB GLN A 9 13.292 5.269 -6.414 1.00 30.02 C ATOM 133 CG GLN A 9 12.384 5.951 -5.403 1.00 3.00 C ATOM 134 CD GLN A 9 11.444 6.952 -6.045 1.00 3.31 C ATOM 135 OE1 GLN A 9 10.224 6.790 -6.006 1.00 24.45 O ATOM 136 NE2 GLN A 9 12.008 7.996 -6.641 1.00 43.30 N ATOM 0 H GLN A 9 13.510 3.862 -4.386 1.00 51.51 H new ATOM 0 HA GLN A 9 15.226 4.353 -6.613 1.00 74.10 H new ATOM 0 HB2 GLN A 9 13.452 5.941 -7.257 1.00 30.02 H new ATOM 0 HB3 GLN A 9 12.789 4.384 -6.803 1.00 30.02 H new ATOM 0 HG2 GLN A 9 11.800 5.196 -4.877 1.00 3.00 H new ATOM 0 HG3 GLN A 9 12.995 6.459 -4.656 1.00 3.00 H new ATOM 0 HE21 GLN A 9 13.024 8.091 -6.650 1.00 43.30 H new ATOM 0 HE22 GLN A 9 11.426 8.703 -7.090 1.00 43.30 H new ATOM 145 N LEU A 10 15.372 6.380 -4.096 1.00 11.23 N ATOM 146 CA LEU A 10 16.067 7.536 -3.540 1.00 51.20 C ATOM 147 C LEU A 10 17.563 7.265 -3.418 1.00 11.24 C ATOM 148 O LEU A 10 18.376 8.190 -3.437 1.00 0.32 O ATOM 149 CB LEU A 10 15.488 7.894 -2.170 1.00 60.00 C ATOM 150 CG LEU A 10 13.979 8.134 -2.121 1.00 33.21 C ATOM 151 CD1 LEU A 10 13.558 8.609 -0.739 1.00 4.51 C ATOM 152 CD2 LEU A 10 13.564 9.142 -3.183 1.00 20.21 C ATOM 0 H LEU A 10 14.858 5.827 -3.410 1.00 11.23 H new ATOM 0 HA LEU A 10 15.923 8.377 -4.219 1.00 51.20 H new ATOM 0 HB2 LEU A 10 15.731 7.091 -1.474 1.00 60.00 H new ATOM 0 HB3 LEU A 10 15.990 8.791 -1.809 1.00 60.00 H new ATOM 0 HG LEU A 10 13.474 7.190 -2.327 1.00 33.21 H new ATOM 0 HD11 LEU A 10 12.481 8.775 -0.724 1.00 4.51 H new ATOM 0 HD12 LEU A 10 13.820 7.853 0.001 1.00 4.51 H new ATOM 0 HD13 LEU A 10 14.072 9.541 -0.502 1.00 4.51 H new ATOM 0 HD21 LEU A 10 12.487 9.300 -3.133 1.00 20.21 H new ATOM 0 HD22 LEU A 10 14.078 10.087 -3.008 1.00 20.21 H new ATOM 0 HD23 LEU A 10 13.830 8.762 -4.169 1.00 20.21 H new ATOM 164 N LEU A 11 17.920 5.992 -3.294 1.00 31.41 N ATOM 165 CA LEU A 11 19.319 5.598 -3.171 1.00 21.32 C ATOM 166 C LEU A 11 20.118 6.038 -4.393 1.00 62.44 C ATOM 167 O LEU A 11 21.342 6.158 -4.337 1.00 55.20 O ATOM 168 CB LEU A 11 19.429 4.082 -2.994 1.00 1.33 C ATOM 169 CG LEU A 11 19.321 3.565 -1.559 1.00 31.31 C ATOM 170 CD1 LEU A 11 20.482 4.074 -0.719 1.00 14.13 C ATOM 171 CD2 LEU A 11 17.992 3.977 -0.942 1.00 23.20 C ATOM 0 H LEU A 11 17.260 5.215 -3.276 1.00 31.41 H new ATOM 0 HA LEU A 11 19.734 6.091 -2.292 1.00 21.32 H new ATOM 0 HB2 LEU A 11 18.648 3.609 -3.589 1.00 1.33 H new ATOM 0 HB3 LEU A 11 20.384 3.757 -3.405 1.00 1.33 H new ATOM 0 HG LEU A 11 19.366 2.476 -1.581 1.00 31.31 H new ATOM 0 HD11 LEU A 11 20.388 3.696 0.299 1.00 14.13 H new ATOM 0 HD12 LEU A 11 21.422 3.728 -1.149 1.00 14.13 H new ATOM 0 HD13 LEU A 11 20.470 5.164 -0.704 1.00 14.13 H new ATOM 0 HD21 LEU A 11 17.933 3.600 0.079 1.00 23.20 H new ATOM 0 HD22 LEU A 11 17.917 5.064 -0.933 1.00 23.20 H new ATOM 0 HD23 LEU A 11 17.174 3.562 -1.530 1.00 23.20 H new ATOM 183 N ALA A 12 19.417 6.278 -5.497 1.00 24.22 N ATOM 184 CA ALA A 12 20.061 6.709 -6.732 1.00 31.53 C ATOM 185 C ALA A 12 20.969 7.909 -6.488 1.00 13.32 C ATOM 186 O ALA A 12 22.055 8.006 -7.059 1.00 51.14 O ATOM 187 CB ALA A 12 19.014 7.041 -7.784 1.00 53.32 C ATOM 0 H ALA A 12 18.404 6.181 -5.561 1.00 24.22 H new ATOM 0 HA ALA A 12 20.679 5.888 -7.097 1.00 31.53 H new ATOM 0 HB1 ALA A 12 19.508 7.361 -8.701 1.00 53.32 H new ATOM 0 HB2 ALA A 12 18.410 6.157 -7.987 1.00 53.32 H new ATOM 0 HB3 ALA A 12 18.372 7.843 -7.419 1.00 53.32 H new ATOM 193 N LYS A 13 20.517 8.823 -5.636 1.00 53.40 N ATOM 194 CA LYS A 13 21.288 10.019 -5.315 1.00 72.43 C ATOM 195 C LYS A 13 22.598 9.652 -4.625 1.00 51.04 C ATOM 196 O LYS A 13 23.609 10.336 -4.788 1.00 14.24 O ATOM 197 CB LYS A 13 20.471 10.952 -4.419 1.00 40.31 C ATOM 198 CG LYS A 13 20.350 10.467 -2.985 1.00 20.20 C ATOM 199 CD LYS A 13 21.435 11.060 -2.102 1.00 41.11 C ATOM 200 CE LYS A 13 20.990 12.375 -1.479 1.00 61.53 C ATOM 201 NZ LYS A 13 19.936 12.171 -0.447 1.00 62.42 N ATOM 0 H LYS A 13 19.620 8.758 -5.155 1.00 53.40 H new ATOM 0 HA LYS A 13 21.520 10.533 -6.248 1.00 72.43 H new ATOM 0 HB2 LYS A 13 20.932 11.940 -4.422 1.00 40.31 H new ATOM 0 HB3 LYS A 13 19.472 11.065 -4.841 1.00 40.31 H new ATOM 0 HG2 LYS A 13 19.371 10.737 -2.590 1.00 20.20 H new ATOM 0 HG3 LYS A 13 20.415 9.379 -2.961 1.00 20.20 H new ATOM 0 HD2 LYS A 13 21.692 10.352 -1.314 1.00 41.11 H new ATOM 0 HD3 LYS A 13 22.337 11.222 -2.692 1.00 41.11 H new ATOM 0 HE2 LYS A 13 21.849 12.872 -1.028 1.00 61.53 H new ATOM 0 HE3 LYS A 13 20.612 13.037 -2.258 1.00 61.53 H new ATOM 0 HZ1 LYS A 13 19.898 13.000 0.179 1.00 62.42 H new ATOM 0 HZ2 LYS A 13 19.014 12.046 -0.912 1.00 62.42 H new ATOM 0 HZ3 LYS A 13 20.158 11.324 0.114 1.00 62.42 H new ATOM 215 N TYR A 14 22.574 8.569 -3.857 1.00 75.32 N ATOM 216 CA TYR A 14 23.759 8.112 -3.142 1.00 43.01 C ATOM 217 C TYR A 14 24.740 7.431 -4.092 1.00 73.20 C ATOM 218 O TYR A 14 25.952 7.471 -3.885 1.00 52.03 O ATOM 219 CB TYR A 14 23.365 7.149 -2.021 1.00 61.32 C ATOM 220 CG TYR A 14 22.998 7.842 -0.728 1.00 61.35 C ATOM 221 CD1 TYR A 14 23.977 8.387 0.093 1.00 71.11 C ATOM 222 CD2 TYR A 14 21.672 7.952 -0.329 1.00 33.10 C ATOM 223 CE1 TYR A 14 23.646 9.020 1.275 1.00 11.12 C ATOM 224 CE2 TYR A 14 21.331 8.585 0.851 1.00 64.30 C ATOM 225 CZ TYR A 14 22.322 9.117 1.650 1.00 70.32 C ATOM 226 OH TYR A 14 21.988 9.748 2.826 1.00 21.00 O ATOM 0 H TYR A 14 21.746 7.991 -3.714 1.00 75.32 H new ATOM 0 HA TYR A 14 24.248 8.984 -2.707 1.00 43.01 H new ATOM 0 HB2 TYR A 14 22.520 6.545 -2.352 1.00 61.32 H new ATOM 0 HB3 TYR A 14 24.192 6.464 -1.834 1.00 61.32 H new ATOM 0 HD1 TYR A 14 25.015 8.315 -0.198 1.00 71.11 H new ATOM 0 HD2 TYR A 14 20.894 7.536 -0.952 1.00 33.10 H new ATOM 0 HE1 TYR A 14 24.420 9.437 1.903 1.00 11.12 H new ATOM 0 HE2 TYR A 14 20.295 8.663 1.146 1.00 64.30 H new ATOM 0 HH TYR A 14 21.015 9.731 2.942 1.00 21.00 H new ATOM 236 N GLY A 15 24.204 6.805 -5.136 1.00 44.21 N ATOM 237 CA GLY A 15 25.045 6.124 -6.104 1.00 13.14 C ATOM 238 C GLY A 15 24.500 4.763 -6.489 1.00 13.15 C ATOM 239 O GLY A 15 23.311 4.492 -6.317 1.00 64.33 O ATOM 0 H GLY A 15 23.203 6.757 -5.329 1.00 44.21 H new ATOM 0 HA2 GLY A 15 25.138 6.741 -6.998 1.00 13.14 H new ATOM 0 HA3 GLY A 15 26.047 6.007 -5.692 1.00 13.14 H new ATOM 243 N SER A 16 25.370 3.905 -7.012 1.00 11.23 N ATOM 244 CA SER A 16 24.968 2.567 -7.427 1.00 71.45 C ATOM 245 C SER A 16 25.586 1.507 -6.520 1.00 1.40 C ATOM 246 O SER A 16 25.789 0.364 -6.929 1.00 21.11 O ATOM 247 CB SER A 16 25.381 2.315 -8.879 1.00 33.11 C ATOM 248 OG SER A 16 26.733 2.680 -9.095 1.00 71.31 O ATOM 0 H SER A 16 26.358 4.113 -7.158 1.00 11.23 H new ATOM 0 HA SER A 16 23.883 2.500 -7.348 1.00 71.45 H new ATOM 0 HB2 SER A 16 25.242 1.262 -9.122 1.00 33.11 H new ATOM 0 HB3 SER A 16 24.736 2.885 -9.548 1.00 33.11 H new ATOM 0 HG SER A 16 26.973 2.508 -10.029 1.00 71.31 H new ATOM 254 N LYS A 17 25.884 1.896 -5.285 1.00 14.32 N ATOM 255 CA LYS A 17 26.478 0.982 -4.317 1.00 14.25 C ATOM 256 C LYS A 17 25.509 0.695 -3.174 1.00 32.01 C ATOM 257 O LYS A 17 25.254 -0.462 -2.840 1.00 12.41 O ATOM 258 CB LYS A 17 27.778 1.569 -3.762 1.00 33.43 C ATOM 259 CG LYS A 17 28.991 1.291 -4.633 1.00 33.13 C ATOM 260 CD LYS A 17 29.157 2.349 -5.711 1.00 31.42 C ATOM 261 CE LYS A 17 30.561 2.333 -6.295 1.00 70.35 C ATOM 262 NZ LYS A 17 30.738 1.232 -7.283 1.00 23.15 N ATOM 0 H LYS A 17 25.724 2.839 -4.931 1.00 14.32 H new ATOM 0 HA LYS A 17 26.698 0.044 -4.827 1.00 14.25 H new ATOM 0 HB2 LYS A 17 27.661 2.647 -3.649 1.00 33.43 H new ATOM 0 HB3 LYS A 17 27.955 1.162 -2.766 1.00 33.43 H new ATOM 0 HG2 LYS A 17 29.886 1.259 -4.012 1.00 33.13 H new ATOM 0 HG3 LYS A 17 28.890 0.310 -5.097 1.00 33.13 H new ATOM 0 HD2 LYS A 17 28.430 2.179 -6.505 1.00 31.42 H new ATOM 0 HD3 LYS A 17 28.947 3.333 -5.292 1.00 31.42 H new ATOM 0 HE2 LYS A 17 30.765 3.289 -6.776 1.00 70.35 H new ATOM 0 HE3 LYS A 17 31.288 2.220 -5.491 1.00 70.35 H new ATOM 0 HZ1 LYS A 17 31.708 1.255 -7.658 1.00 23.15 H new ATOM 0 HZ2 LYS A 17 30.568 0.317 -6.818 1.00 23.15 H new ATOM 0 HZ3 LYS A 17 30.062 1.354 -8.064 1.00 23.15 H new ATOM 276 N ALA A 18 24.971 1.755 -2.580 1.00 0.15 N ATOM 277 CA ALA A 18 24.028 1.616 -1.477 1.00 54.11 C ATOM 278 C ALA A 18 22.688 1.075 -1.966 1.00 23.13 C ATOM 279 O ALA A 18 21.934 0.473 -1.201 1.00 64.41 O ATOM 280 CB ALA A 18 23.835 2.952 -0.776 1.00 10.43 C ATOM 0 H ALA A 18 25.172 2.719 -2.844 1.00 0.15 H new ATOM 0 HA ALA A 18 24.442 0.901 -0.766 1.00 54.11 H new ATOM 0 HB1 ALA A 18 23.128 2.833 0.045 1.00 10.43 H new ATOM 0 HB2 ALA A 18 24.791 3.299 -0.385 1.00 10.43 H new ATOM 0 HB3 ALA A 18 23.447 3.683 -1.486 1.00 10.43 H new ATOM 286 N VAL A 19 22.397 1.294 -3.244 1.00 45.11 N ATOM 287 CA VAL A 19 21.149 0.828 -3.835 1.00 33.11 C ATOM 288 C VAL A 19 21.183 -0.677 -4.077 1.00 3.11 C ATOM 289 O VAL A 19 20.156 -1.350 -4.004 1.00 72.32 O ATOM 290 CB VAL A 19 20.856 1.544 -5.167 1.00 11.45 C ATOM 291 CG1 VAL A 19 21.906 1.187 -6.207 1.00 72.15 C ATOM 292 CG2 VAL A 19 19.461 1.196 -5.663 1.00 12.10 C ATOM 0 H VAL A 19 23.009 1.792 -3.890 1.00 45.11 H new ATOM 0 HA VAL A 19 20.357 1.061 -3.124 1.00 33.11 H new ATOM 0 HB VAL A 19 20.898 2.620 -4.998 1.00 11.45 H new ATOM 0 HG11 VAL A 19 21.683 1.702 -7.141 1.00 72.15 H new ATOM 0 HG12 VAL A 19 22.890 1.492 -5.851 1.00 72.15 H new ATOM 0 HG13 VAL A 19 21.900 0.110 -6.376 1.00 72.15 H new ATOM 0 HG21 VAL A 19 19.271 1.711 -6.605 1.00 12.10 H new ATOM 0 HG22 VAL A 19 19.387 0.119 -5.816 1.00 12.10 H new ATOM 0 HG23 VAL A 19 18.724 1.508 -4.924 1.00 12.10 H new ATOM 302 N GLN A 20 22.372 -1.197 -4.364 1.00 70.33 N ATOM 303 CA GLN A 20 22.540 -2.623 -4.617 1.00 60.42 C ATOM 304 C GLN A 20 22.231 -3.438 -3.366 1.00 34.42 C ATOM 305 O GLN A 20 21.805 -4.590 -3.453 1.00 74.02 O ATOM 306 CB GLN A 20 23.965 -2.914 -5.090 1.00 63.54 C ATOM 307 CG GLN A 20 24.081 -4.175 -5.933 1.00 3.35 C ATOM 308 CD GLN A 20 25.464 -4.353 -6.528 1.00 71.42 C ATOM 309 OE1 GLN A 20 25.637 -4.315 -7.747 1.00 22.04 O ATOM 310 NE2 GLN A 20 26.458 -4.550 -5.670 1.00 13.13 N ATOM 0 H GLN A 20 23.232 -0.653 -4.427 1.00 70.33 H new ATOM 0 HA GLN A 20 21.839 -2.912 -5.399 1.00 60.42 H new ATOM 0 HB2 GLN A 20 24.327 -2.065 -5.670 1.00 63.54 H new ATOM 0 HB3 GLN A 20 24.616 -3.007 -4.220 1.00 63.54 H new ATOM 0 HG2 GLN A 20 23.840 -5.042 -5.318 1.00 3.35 H new ATOM 0 HG3 GLN A 20 23.346 -4.139 -6.737 1.00 3.35 H new ATOM 0 HE21 GLN A 20 26.269 -4.574 -4.668 1.00 13.13 H new ATOM 0 HE22 GLN A 20 27.410 -4.677 -6.013 1.00 13.13 H new ATOM 319 N TRP A 21 22.448 -2.834 -2.204 1.00 0.34 N ATOM 320 CA TRP A 21 22.193 -3.504 -0.934 1.00 35.32 C ATOM 321 C TRP A 21 20.716 -3.855 -0.791 1.00 73.20 C ATOM 322 O TRP A 21 20.359 -5.021 -0.627 1.00 34.34 O ATOM 323 CB TRP A 21 22.634 -2.618 0.232 1.00 31.22 C ATOM 324 CG TRP A 21 22.623 -3.326 1.553 1.00 1.03 C ATOM 325 CD1 TRP A 21 23.416 -4.372 1.929 1.00 60.50 C ATOM 326 CD2 TRP A 21 21.777 -3.039 2.672 1.00 73.50 C ATOM 327 NE1 TRP A 21 23.114 -4.754 3.214 1.00 55.10 N ATOM 328 CE2 TRP A 21 22.112 -3.951 3.692 1.00 32.22 C ATOM 329 CE3 TRP A 21 20.770 -2.100 2.912 1.00 20.51 C ATOM 330 CZ2 TRP A 21 21.474 -3.950 4.930 1.00 24.00 C ATOM 331 CZ3 TRP A 21 20.138 -2.101 4.141 1.00 42.20 C ATOM 332 CH2 TRP A 21 20.492 -3.020 5.138 1.00 45.24 C ATOM 0 H TRP A 21 22.800 -1.881 -2.114 1.00 0.34 H new ATOM 0 HA TRP A 21 22.771 -4.428 -0.917 1.00 35.32 H new ATOM 0 HB2 TRP A 21 23.639 -2.245 0.036 1.00 31.22 H new ATOM 0 HB3 TRP A 21 21.978 -1.750 0.288 1.00 31.22 H new ATOM 0 HD1 TRP A 21 24.170 -4.832 1.308 1.00 60.50 H new ATOM 0 HE1 TRP A 21 23.563 -5.512 3.728 1.00 55.10 H new ATOM 0 HE3 TRP A 21 20.491 -1.387 2.151 1.00 20.51 H new ATOM 0 HZ2 TRP A 21 21.745 -4.658 5.699 1.00 24.00 H new ATOM 0 HZ3 TRP A 21 19.357 -1.381 4.337 1.00 42.20 H new ATOM 0 HH2 TRP A 21 19.980 -2.994 6.089 1.00 45.24 H new ATOM 343 N ALA A 22 19.861 -2.839 -0.855 1.00 65.11 N ATOM 344 CA ALA A 22 18.423 -3.042 -0.735 1.00 50.42 C ATOM 345 C ALA A 22 17.936 -4.112 -1.707 1.00 4.53 C ATOM 346 O ALA A 22 17.181 -5.007 -1.330 1.00 74.32 O ATOM 347 CB ALA A 22 17.684 -1.733 -0.974 1.00 60.34 C ATOM 0 H ALA A 22 20.140 -1.867 -0.989 1.00 65.11 H new ATOM 0 HA ALA A 22 18.213 -3.386 0.278 1.00 50.42 H new ATOM 0 HB1 ALA A 22 16.611 -1.899 -0.881 1.00 60.34 H new ATOM 0 HB2 ALA A 22 18.002 -0.996 -0.237 1.00 60.34 H new ATOM 0 HB3 ALA A 22 17.909 -1.366 -1.975 1.00 60.34 H new ATOM 353 N TRP A 23 18.373 -4.011 -2.957 1.00 25.53 N ATOM 354 CA TRP A 23 17.981 -4.971 -3.983 1.00 21.25 C ATOM 355 C TRP A 23 18.526 -6.359 -3.666 1.00 65.44 C ATOM 356 O TRP A 23 17.843 -7.364 -3.862 1.00 63.03 O ATOM 357 CB TRP A 23 18.479 -4.514 -5.355 1.00 21.33 C ATOM 358 CG TRP A 23 17.565 -3.531 -6.021 1.00 4.41 C ATOM 359 CD1 TRP A 23 17.711 -2.173 -6.060 1.00 71.32 C ATOM 360 CD2 TRP A 23 16.364 -3.828 -6.741 1.00 65.43 C ATOM 361 NE1 TRP A 23 16.673 -1.609 -6.762 1.00 32.33 N ATOM 362 CE2 TRP A 23 15.834 -2.603 -7.191 1.00 33.42 C ATOM 363 CE3 TRP A 23 15.687 -5.010 -7.052 1.00 70.33 C ATOM 364 CZ2 TRP A 23 14.658 -2.529 -7.932 1.00 72.45 C ATOM 365 CZ3 TRP A 23 14.520 -4.935 -7.788 1.00 72.23 C ATOM 366 CH2 TRP A 23 14.015 -3.702 -8.222 1.00 61.24 C ATOM 0 H TRP A 23 18.998 -3.275 -3.285 1.00 25.53 H new ATOM 0 HA TRP A 23 16.892 -5.024 -3.999 1.00 21.25 H new ATOM 0 HB2 TRP A 23 19.466 -4.064 -5.244 1.00 21.33 H new ATOM 0 HB3 TRP A 23 18.596 -5.385 -6.000 1.00 21.33 H new ATOM 0 HD1 TRP A 23 18.523 -1.624 -5.606 1.00 71.32 H new ATOM 0 HE1 TRP A 23 16.548 -0.612 -6.935 1.00 32.33 H new ATOM 0 HE3 TRP A 23 16.069 -5.965 -6.723 1.00 70.33 H new ATOM 0 HZ2 TRP A 23 14.267 -1.580 -8.266 1.00 72.45 H new ATOM 0 HZ3 TRP A 23 13.988 -5.842 -8.033 1.00 72.23 H new ATOM 0 HH2 TRP A 23 13.101 -3.677 -8.796 1.00 61.24 H new ATOM 377 N ALA A 24 19.761 -6.408 -3.176 1.00 72.12 N ATOM 378 CA ALA A 24 20.396 -7.674 -2.831 1.00 3.40 C ATOM 379 C ALA A 24 19.637 -8.383 -1.714 1.00 42.55 C ATOM 380 O ALA A 24 19.130 -9.488 -1.901 1.00 12.42 O ATOM 381 CB ALA A 24 21.844 -7.443 -2.424 1.00 22.41 C ATOM 0 H ALA A 24 20.341 -5.586 -3.009 1.00 72.12 H new ATOM 0 HA ALA A 24 20.375 -8.315 -3.712 1.00 3.40 H new ATOM 0 HB1 ALA A 24 22.307 -8.396 -2.169 1.00 22.41 H new ATOM 0 HB2 ALA A 24 22.386 -6.987 -3.252 1.00 22.41 H new ATOM 0 HB3 ALA A 24 21.878 -6.780 -1.559 1.00 22.41 H new ATOM 387 N ASN A 25 19.564 -7.739 -0.554 1.00 23.33 N ATOM 388 CA ASN A 25 18.868 -8.310 0.594 1.00 52.43 C ATOM 389 C ASN A 25 17.455 -8.740 0.213 1.00 35.22 C ATOM 390 O ASN A 25 16.763 -8.049 -0.535 1.00 60.12 O ATOM 391 CB ASN A 25 18.813 -7.296 1.739 1.00 64.41 C ATOM 392 CG ASN A 25 20.008 -7.407 2.666 1.00 64.10 C ATOM 393 OD1 ASN A 25 19.998 -8.184 3.621 1.00 74.22 O ATOM 394 ND2 ASN A 25 21.047 -6.627 2.388 1.00 31.40 N ATOM 0 H ASN A 25 19.978 -6.822 -0.384 1.00 23.33 H new ATOM 0 HA ASN A 25 19.421 -9.190 0.923 1.00 52.43 H new ATOM 0 HB2 ASN A 25 18.769 -6.288 1.327 1.00 64.41 H new ATOM 0 HB3 ASN A 25 17.897 -7.447 2.311 1.00 64.41 H new ATOM 0 HD21 ASN A 25 21.880 -6.658 2.977 1.00 31.40 H new ATOM 0 HD22 ASN A 25 21.012 -5.998 1.586 1.00 31.40 H new ATOM 401 N LYS A 26 17.031 -9.887 0.734 1.00 12.33 N ATOM 402 CA LYS A 26 15.700 -10.410 0.452 1.00 34.30 C ATOM 403 C LYS A 26 14.650 -9.724 1.320 1.00 32.45 C ATOM 404 O LYS A 26 13.798 -8.991 0.819 1.00 23.34 O ATOM 405 CB LYS A 26 15.663 -11.922 0.688 1.00 62.04 C ATOM 406 CG LYS A 26 14.258 -12.496 0.737 1.00 31.14 C ATOM 407 CD LYS A 26 13.513 -12.262 -0.566 1.00 64.34 C ATOM 408 CE LYS A 26 12.221 -13.063 -0.622 1.00 3.22 C ATOM 409 NZ LYS A 26 12.478 -14.529 -0.650 1.00 21.40 N ATOM 0 H LYS A 26 17.591 -10.472 1.354 1.00 12.33 H new ATOM 0 HA LYS A 26 15.471 -10.206 -0.594 1.00 34.30 H new ATOM 0 HB2 LYS A 26 16.222 -12.419 -0.105 1.00 62.04 H new ATOM 0 HB3 LYS A 26 16.171 -12.147 1.625 1.00 62.04 H new ATOM 0 HG2 LYS A 26 14.308 -13.566 0.941 1.00 31.14 H new ATOM 0 HG3 LYS A 26 13.706 -12.040 1.559 1.00 31.14 H new ATOM 0 HD2 LYS A 26 13.289 -11.201 -0.673 1.00 64.34 H new ATOM 0 HD3 LYS A 26 14.151 -12.539 -1.406 1.00 64.34 H new ATOM 0 HE2 LYS A 26 11.605 -12.819 0.243 1.00 3.22 H new ATOM 0 HE3 LYS A 26 11.654 -12.777 -1.508 1.00 3.22 H new ATOM 0 HZ1 LYS A 26 11.634 -15.023 -1.005 1.00 21.40 H new ATOM 0 HZ2 LYS A 26 13.285 -14.728 -1.275 1.00 21.40 H new ATOM 0 HZ3 LYS A 26 12.695 -14.862 0.311 1.00 21.40 H new ATOM 423 N GLY A 27 14.718 -9.967 2.626 1.00 12.21 N ATOM 424 CA GLY A 27 13.768 -9.364 3.543 1.00 43.30 C ATOM 425 C GLY A 27 14.445 -8.710 4.731 1.00 10.32 C ATOM 426 O GLY A 27 14.024 -8.893 5.874 1.00 42.23 O ATOM 0 H GLY A 27 15.414 -10.570 3.065 1.00 12.21 H new ATOM 0 HA2 GLY A 27 13.176 -8.619 3.011 1.00 43.30 H new ATOM 0 HA3 GLY A 27 13.076 -10.127 3.898 1.00 43.30 H new ATOM 430 N LYS A 28 15.498 -7.945 4.463 1.00 23.44 N ATOM 431 CA LYS A 28 16.236 -7.261 5.519 1.00 63.53 C ATOM 432 C LYS A 28 15.699 -5.850 5.731 1.00 43.30 C ATOM 433 O LYS A 28 15.775 -5.306 6.833 1.00 23.13 O ATOM 434 CB LYS A 28 17.726 -7.205 5.174 1.00 61.45 C ATOM 435 CG LYS A 28 18.570 -6.517 6.232 1.00 42.40 C ATOM 436 CD LYS A 28 18.784 -7.410 7.443 1.00 51.53 C ATOM 437 CE LYS A 28 19.813 -6.820 8.395 1.00 63.41 C ATOM 438 NZ LYS A 28 19.764 -7.468 9.735 1.00 15.42 N ATOM 0 H LYS A 28 15.860 -7.783 3.523 1.00 23.44 H new ATOM 0 HA LYS A 28 16.104 -7.824 6.443 1.00 63.53 H new ATOM 0 HB2 LYS A 28 18.095 -8.220 5.030 1.00 61.45 H new ATOM 0 HB3 LYS A 28 17.851 -6.683 4.225 1.00 61.45 H new ATOM 0 HG2 LYS A 28 19.535 -6.242 5.807 1.00 42.40 H new ATOM 0 HG3 LYS A 28 18.083 -5.592 6.542 1.00 42.40 H new ATOM 0 HD2 LYS A 28 17.838 -7.547 7.967 1.00 51.53 H new ATOM 0 HD3 LYS A 28 19.113 -8.396 7.116 1.00 51.53 H new ATOM 0 HE2 LYS A 28 20.810 -6.938 7.971 1.00 63.41 H new ATOM 0 HE3 LYS A 28 19.637 -5.750 8.502 1.00 63.41 H new ATOM 0 HZ1 LYS A 28 20.480 -7.038 10.355 1.00 15.42 H new ATOM 0 HZ2 LYS A 28 18.820 -7.334 10.151 1.00 15.42 H new ATOM 0 HZ3 LYS A 28 19.957 -8.485 9.636 1.00 15.42 H new ATOM 452 N ILE A 29 15.156 -5.263 4.670 1.00 10.51 N ATOM 453 CA ILE A 29 14.604 -3.915 4.742 1.00 22.32 C ATOM 454 C ILE A 29 13.080 -3.947 4.790 1.00 64.12 C ATOM 455 O ILE A 29 12.452 -3.124 5.456 1.00 13.22 O ATOM 456 CB ILE A 29 15.051 -3.059 3.543 1.00 43.12 C ATOM 457 CG1 ILE A 29 16.579 -2.996 3.474 1.00 74.40 C ATOM 458 CG2 ILE A 29 14.462 -1.660 3.642 1.00 5.43 C ATOM 459 CD1 ILE A 29 17.098 -2.188 2.306 1.00 42.21 C ATOM 0 H ILE A 29 15.086 -5.699 3.751 1.00 10.51 H new ATOM 0 HA ILE A 29 14.985 -3.467 5.660 1.00 22.32 H new ATOM 0 HB ILE A 29 14.684 -3.523 2.628 1.00 43.12 H new ATOM 0 HG12 ILE A 29 16.959 -2.566 4.401 1.00 74.40 H new ATOM 0 HG13 ILE A 29 16.974 -4.010 3.408 1.00 74.40 H new ATOM 0 HG21 ILE A 29 14.787 -1.067 2.787 1.00 5.43 H new ATOM 0 HG22 ILE A 29 13.374 -1.723 3.647 1.00 5.43 H new ATOM 0 HG23 ILE A 29 14.802 -1.186 4.563 1.00 5.43 H new ATOM 0 HD11 ILE A 29 18.188 -2.187 2.320 1.00 42.21 H new ATOM 0 HD12 ILE A 29 16.748 -2.630 1.373 1.00 42.21 H new ATOM 0 HD13 ILE A 29 16.733 -1.164 2.381 1.00 42.21 H new ATOM 471 N LEU A 30 12.492 -4.904 4.080 1.00 12.34 N ATOM 472 CA LEU A 30 11.040 -5.045 4.043 1.00 64.13 C ATOM 473 C LEU A 30 10.461 -5.092 5.453 1.00 51.51 C ATOM 474 O LEU A 30 9.330 -4.664 5.684 1.00 33.33 O ATOM 475 CB LEU A 30 10.651 -6.311 3.277 1.00 23.13 C ATOM 476 CG LEU A 30 10.425 -6.144 1.774 1.00 14.14 C ATOM 477 CD1 LEU A 30 9.282 -5.176 1.512 1.00 53.45 C ATOM 478 CD2 LEU A 30 11.698 -5.666 1.093 1.00 44.12 C ATOM 0 H LEU A 30 12.997 -5.593 3.523 1.00 12.34 H new ATOM 0 HA LEU A 30 10.628 -4.176 3.530 1.00 64.13 H new ATOM 0 HB2 LEU A 30 11.433 -7.056 3.426 1.00 23.13 H new ATOM 0 HB3 LEU A 30 9.739 -6.713 3.719 1.00 23.13 H new ATOM 0 HG LEU A 30 10.156 -7.114 1.356 1.00 14.14 H new ATOM 0 HD11 LEU A 30 9.135 -5.069 0.437 1.00 53.45 H new ATOM 0 HD12 LEU A 30 8.369 -5.560 1.967 1.00 53.45 H new ATOM 0 HD13 LEU A 30 9.522 -4.204 1.944 1.00 53.45 H new ATOM 0 HD21 LEU A 30 11.518 -5.553 0.024 1.00 44.12 H new ATOM 0 HD22 LEU A 30 11.998 -4.706 1.514 1.00 44.12 H new ATOM 0 HD23 LEU A 30 12.492 -6.396 1.252 1.00 44.12 H new ATOM 490 N ASP A 31 11.244 -5.611 6.392 1.00 42.32 N ATOM 491 CA ASP A 31 10.810 -5.710 7.781 1.00 45.24 C ATOM 492 C ASP A 31 10.659 -4.325 8.403 1.00 71.13 C ATOM 493 O ASP A 31 9.705 -4.064 9.135 1.00 35.32 O ATOM 494 CB ASP A 31 11.807 -6.540 8.591 1.00 64.04 C ATOM 495 CG ASP A 31 11.494 -8.023 8.549 1.00 2.23 C ATOM 496 OD1 ASP A 31 10.308 -8.384 8.702 1.00 3.45 O ATOM 497 OD2 ASP A 31 12.435 -8.822 8.363 1.00 31.40 O ATOM 0 H ASP A 31 12.183 -5.970 6.217 1.00 42.32 H new ATOM 0 HA ASP A 31 9.839 -6.204 7.798 1.00 45.24 H new ATOM 0 HB2 ASP A 31 12.813 -6.373 8.205 1.00 64.04 H new ATOM 0 HB3 ASP A 31 11.802 -6.200 9.626 1.00 64.04 H new ATOM 502 N TRP A 32 11.606 -3.443 8.107 1.00 41.42 N ATOM 503 CA TRP A 32 11.578 -2.085 8.638 1.00 2.43 C ATOM 504 C TRP A 32 10.285 -1.376 8.253 1.00 54.32 C ATOM 505 O TRP A 32 9.722 -0.617 9.043 1.00 14.11 O ATOM 506 CB TRP A 32 12.781 -1.290 8.127 1.00 24.35 C ATOM 507 CG TRP A 32 14.077 -1.705 8.756 1.00 2.23 C ATOM 508 CD1 TRP A 32 14.248 -2.255 9.994 1.00 22.14 C ATOM 509 CD2 TRP A 32 15.383 -1.600 8.178 1.00 74.23 C ATOM 510 NE1 TRP A 32 15.581 -2.499 10.220 1.00 5.14 N ATOM 511 CE2 TRP A 32 16.298 -2.107 9.121 1.00 41.21 C ATOM 512 CE3 TRP A 32 15.867 -1.130 6.954 1.00 1.13 C ATOM 513 CZ2 TRP A 32 17.668 -2.154 8.877 1.00 41.00 C ATOM 514 CZ3 TRP A 32 17.227 -1.177 6.714 1.00 61.21 C ATOM 515 CH2 TRP A 32 18.115 -1.687 7.671 1.00 53.22 C ATOM 0 H TRP A 32 12.403 -3.643 7.502 1.00 41.42 H new ATOM 0 HA TRP A 32 11.627 -2.146 9.725 1.00 2.43 H new ATOM 0 HB2 TRP A 32 12.855 -1.411 7.046 1.00 24.35 H new ATOM 0 HB3 TRP A 32 12.615 -0.230 8.319 1.00 24.35 H new ATOM 0 HD1 TRP A 32 13.452 -2.467 10.693 1.00 22.14 H new ATOM 0 HE1 TRP A 32 15.973 -2.906 11.069 1.00 5.14 H new ATOM 0 HE3 TRP A 32 15.190 -0.737 6.209 1.00 1.13 H new ATOM 0 HZ2 TRP A 32 18.354 -2.545 9.614 1.00 41.00 H new ATOM 0 HZ3 TRP A 32 17.612 -0.814 5.773 1.00 61.21 H new ATOM 0 HH2 TRP A 32 19.172 -1.712 7.452 1.00 53.22 H new ATOM 526 N LEU A 33 9.818 -1.627 7.035 1.00 74.11 N ATOM 527 CA LEU A 33 8.589 -1.012 6.545 1.00 73.52 C ATOM 528 C LEU A 33 7.444 -1.222 7.531 1.00 2.32 C ATOM 529 O LEU A 33 6.539 -0.395 7.631 1.00 0.31 O ATOM 530 CB LEU A 33 8.214 -1.593 5.180 1.00 33.33 C ATOM 531 CG LEU A 33 9.340 -1.664 4.148 1.00 30.25 C ATOM 532 CD1 LEU A 33 8.816 -2.192 2.822 1.00 62.11 C ATOM 533 CD2 LEU A 33 9.981 -0.297 3.964 1.00 5.45 C ATOM 0 H LEU A 33 10.272 -2.252 6.369 1.00 74.11 H new ATOM 0 HA LEU A 33 8.764 0.059 6.442 1.00 73.52 H new ATOM 0 HB2 LEU A 33 7.823 -2.599 5.331 1.00 33.33 H new ATOM 0 HB3 LEU A 33 7.404 -0.995 4.763 1.00 33.33 H new ATOM 0 HG LEU A 33 10.100 -2.353 4.515 1.00 30.25 H new ATOM 0 HD11 LEU A 33 9.631 -2.236 2.100 1.00 62.11 H new ATOM 0 HD12 LEU A 33 8.404 -3.191 2.965 1.00 62.11 H new ATOM 0 HD13 LEU A 33 8.036 -1.528 2.449 1.00 62.11 H new ATOM 0 HD21 LEU A 33 10.780 -0.366 3.226 1.00 5.45 H new ATOM 0 HD22 LEU A 33 9.230 0.414 3.620 1.00 5.45 H new ATOM 0 HD23 LEU A 33 10.393 0.043 4.914 1.00 5.45 H new ATOM 545 N ASN A 34 7.493 -2.333 8.259 1.00 0.54 N ATOM 546 CA ASN A 34 6.461 -2.650 9.240 1.00 51.33 C ATOM 547 C ASN A 34 6.831 -2.103 10.615 1.00 15.41 C ATOM 548 O ASN A 34 5.958 -1.806 11.431 1.00 25.43 O ATOM 549 CB ASN A 34 6.252 -4.163 9.320 1.00 63.32 C ATOM 550 CG ASN A 34 5.829 -4.760 7.991 1.00 11.33 C ATOM 551 OD1 ASN A 34 4.857 -4.315 7.380 1.00 32.55 O ATOM 552 ND2 ASN A 34 6.559 -5.772 7.538 1.00 41.01 N ATOM 0 H ASN A 34 8.236 -3.028 8.188 1.00 0.54 H new ATOM 0 HA ASN A 34 5.532 -2.178 8.919 1.00 51.33 H new ATOM 0 HB2 ASN A 34 7.176 -4.638 9.651 1.00 63.32 H new ATOM 0 HB3 ASN A 34 5.494 -4.383 10.072 1.00 63.32 H new ATOM 0 HD21 ASN A 34 6.323 -6.214 6.650 1.00 41.01 H new ATOM 0 HD22 ASN A 34 7.356 -6.108 8.078 1.00 41.01 H new ATOM 559 N ALA A 35 8.129 -1.971 10.864 1.00 43.31 N ATOM 560 CA ALA A 35 8.615 -1.457 12.139 1.00 54.23 C ATOM 561 C ALA A 35 9.272 -0.092 11.966 1.00 51.31 C ATOM 562 O ALA A 35 10.365 0.150 12.475 1.00 3.50 O ATOM 563 CB ALA A 35 9.592 -2.440 12.766 1.00 12.34 C ATOM 0 H ALA A 35 8.864 -2.213 10.199 1.00 43.31 H new ATOM 0 HA ALA A 35 7.760 -1.337 12.804 1.00 54.23 H new ATOM 0 HB1 ALA A 35 9.947 -2.044 13.717 1.00 12.34 H new ATOM 0 HB2 ALA A 35 9.091 -3.393 12.934 1.00 12.34 H new ATOM 0 HB3 ALA A 35 10.439 -2.588 12.096 1.00 12.34 H new ATOM 569 N GLY A 36 8.598 0.798 11.243 1.00 34.32 N ATOM 570 CA GLY A 36 9.133 2.127 11.016 1.00 54.35 C ATOM 571 C GLY A 36 8.138 3.043 10.329 1.00 65.54 C ATOM 572 O GLY A 36 7.803 4.106 10.849 1.00 42.22 O ATOM 0 H GLY A 36 7.691 0.622 10.811 1.00 34.32 H new ATOM 0 HA2 GLY A 36 9.427 2.565 11.970 1.00 54.35 H new ATOM 0 HA3 GLY A 36 10.035 2.053 10.408 1.00 54.35 H new ATOM 576 N GLN A 37 7.668 2.629 9.156 1.00 32.05 N ATOM 577 CA GLN A 37 6.708 3.421 8.397 1.00 40.33 C ATOM 578 C GLN A 37 7.236 4.832 8.156 1.00 33.15 C ATOM 579 O GLN A 37 6.499 5.810 8.278 1.00 73.20 O ATOM 580 CB GLN A 37 5.369 3.484 9.134 1.00 61.52 C ATOM 581 CG GLN A 37 4.550 2.208 9.016 1.00 0.32 C ATOM 582 CD GLN A 37 3.527 2.067 10.126 1.00 51.41 C ATOM 583 OE1 GLN A 37 3.840 1.592 11.218 1.00 52.02 O ATOM 584 NE2 GLN A 37 2.295 2.481 9.852 1.00 42.20 N ATOM 0 H GLN A 37 7.936 1.751 8.712 1.00 32.05 H new ATOM 0 HA GLN A 37 6.560 2.938 7.431 1.00 40.33 H new ATOM 0 HB2 GLN A 37 5.553 3.692 10.188 1.00 61.52 H new ATOM 0 HB3 GLN A 37 4.786 4.318 8.742 1.00 61.52 H new ATOM 0 HG2 GLN A 37 4.040 2.196 8.053 1.00 0.32 H new ATOM 0 HG3 GLN A 37 5.220 1.348 9.033 1.00 0.32 H new ATOM 0 HE21 GLN A 37 2.080 2.868 8.933 1.00 42.20 H new ATOM 0 HE22 GLN A 37 1.564 2.412 10.560 1.00 42.20 H new ATOM 593 N ALA A 38 8.516 4.929 7.815 1.00 5.13 N ATOM 594 CA ALA A 38 9.142 6.220 7.556 1.00 22.14 C ATOM 595 C ALA A 38 10.423 6.056 6.744 1.00 14.35 C ATOM 596 O ALA A 38 11.324 5.312 7.133 1.00 51.53 O ATOM 597 CB ALA A 38 9.434 6.937 8.866 1.00 14.32 C ATOM 0 H ALA A 38 9.140 4.129 7.711 1.00 5.13 H new ATOM 0 HA ALA A 38 8.447 6.822 6.971 1.00 22.14 H new ATOM 0 HB1 ALA A 38 9.901 7.899 8.658 1.00 14.32 H new ATOM 0 HB2 ALA A 38 8.503 7.096 9.409 1.00 14.32 H new ATOM 0 HB3 ALA A 38 10.108 6.330 9.471 1.00 14.32 H new ATOM 603 N ILE A 39 10.496 6.755 5.616 1.00 34.54 N ATOM 604 CA ILE A 39 11.666 6.686 4.751 1.00 42.23 C ATOM 605 C ILE A 39 12.922 7.138 5.488 1.00 63.21 C ATOM 606 O ILE A 39 13.890 6.386 5.605 1.00 32.45 O ATOM 607 CB ILE A 39 11.485 7.552 3.490 1.00 63.01 C ATOM 608 CG1 ILE A 39 10.241 7.111 2.716 1.00 63.10 C ATOM 609 CG2 ILE A 39 12.722 7.468 2.608 1.00 70.03 C ATOM 610 CD1 ILE A 39 9.888 8.028 1.566 1.00 12.45 C ATOM 0 H ILE A 39 9.759 7.375 5.281 1.00 34.54 H new ATOM 0 HA ILE A 39 11.778 5.643 4.453 1.00 42.23 H new ATOM 0 HB ILE A 39 11.350 8.590 3.796 1.00 63.01 H new ATOM 0 HG12 ILE A 39 10.401 6.104 2.331 1.00 63.10 H new ATOM 0 HG13 ILE A 39 9.395 7.060 3.402 1.00 63.10 H new ATOM 0 HG21 ILE A 39 12.579 8.085 1.721 1.00 70.03 H new ATOM 0 HG22 ILE A 39 13.589 7.826 3.163 1.00 70.03 H new ATOM 0 HG23 ILE A 39 12.885 6.433 2.307 1.00 70.03 H new ATOM 0 HD11 ILE A 39 8.996 7.654 1.063 1.00 12.45 H new ATOM 0 HD12 ILE A 39 9.696 9.031 1.946 1.00 12.45 H new ATOM 0 HD13 ILE A 39 10.717 8.060 0.859 1.00 12.45 H new ATOM 622 N ASP A 40 12.899 8.370 5.984 1.00 24.12 N ATOM 623 CA ASP A 40 14.035 8.922 6.713 1.00 24.33 C ATOM 624 C ASP A 40 14.407 8.031 7.895 1.00 11.41 C ATOM 625 O ASP A 40 15.555 8.021 8.340 1.00 72.54 O ATOM 626 CB ASP A 40 13.716 10.335 7.204 1.00 61.30 C ATOM 627 CG ASP A 40 14.761 10.863 8.166 1.00 4.52 C ATOM 628 OD1 ASP A 40 15.921 11.048 7.740 1.00 10.43 O ATOM 629 OD2 ASP A 40 14.420 11.093 9.345 1.00 11.30 O ATOM 0 H ASP A 40 12.106 9.006 5.895 1.00 24.12 H new ATOM 0 HA ASP A 40 14.885 8.966 6.032 1.00 24.33 H new ATOM 0 HB2 ASP A 40 13.642 11.006 6.348 1.00 61.30 H new ATOM 0 HB3 ASP A 40 12.742 10.335 7.694 1.00 61.30 H new ATOM 634 N TRP A 41 13.429 7.288 8.399 1.00 31.30 N ATOM 635 CA TRP A 41 13.653 6.395 9.530 1.00 22.14 C ATOM 636 C TRP A 41 14.367 5.123 9.087 1.00 73.44 C ATOM 637 O TRP A 41 15.043 4.469 9.881 1.00 34.12 O ATOM 638 CB TRP A 41 12.324 6.042 10.199 1.00 32.04 C ATOM 639 CG TRP A 41 12.488 5.356 11.522 1.00 71.23 C ATOM 640 CD1 TRP A 41 12.510 5.945 12.754 1.00 73.14 C ATOM 641 CD2 TRP A 41 12.655 3.951 11.743 1.00 2.34 C ATOM 642 NE1 TRP A 41 12.680 4.991 13.728 1.00 45.01 N ATOM 643 CE2 TRP A 41 12.771 3.760 13.134 1.00 25.01 C ATOM 644 CE3 TRP A 41 12.716 2.837 10.903 1.00 70.51 C ATOM 645 CZ2 TRP A 41 12.946 2.500 13.700 1.00 60.22 C ATOM 646 CZ3 TRP A 41 12.890 1.587 11.466 1.00 75.51 C ATOM 647 CH2 TRP A 41 13.002 1.426 12.853 1.00 1.14 C ATOM 0 H TRP A 41 12.473 7.286 8.043 1.00 31.30 H new ATOM 0 HA TRP A 41 14.287 6.913 10.249 1.00 22.14 H new ATOM 0 HB2 TRP A 41 11.743 6.954 10.340 1.00 32.04 H new ATOM 0 HB3 TRP A 41 11.750 5.398 9.533 1.00 32.04 H new ATOM 0 HD1 TRP A 41 12.409 7.005 12.936 1.00 73.14 H new ATOM 0 HE1 TRP A 41 12.730 5.170 14.731 1.00 45.01 H new ATOM 0 HE3 TRP A 41 12.629 2.950 9.833 1.00 70.51 H new ATOM 0 HZ2 TRP A 41 13.034 2.374 14.769 1.00 60.22 H new ATOM 0 HZ3 TRP A 41 12.941 0.719 10.825 1.00 75.51 H new ATOM 0 HH2 TRP A 41 13.135 0.435 13.262 1.00 1.14 H new ATOM 658 N VAL A 42 14.212 4.776 7.813 1.00 43.24 N ATOM 659 CA VAL A 42 14.843 3.582 7.263 1.00 3.21 C ATOM 660 C VAL A 42 16.229 3.898 6.711 1.00 72.45 C ATOM 661 O VAL A 42 17.143 3.077 6.792 1.00 41.30 O ATOM 662 CB VAL A 42 13.987 2.958 6.145 1.00 13.43 C ATOM 663 CG1 VAL A 42 14.676 1.733 5.565 1.00 33.21 C ATOM 664 CG2 VAL A 42 12.603 2.604 6.670 1.00 43.33 C ATOM 0 H VAL A 42 13.655 5.305 7.142 1.00 43.24 H new ATOM 0 HA VAL A 42 14.935 2.867 8.081 1.00 3.21 H new ATOM 0 HB VAL A 42 13.872 3.691 5.347 1.00 13.43 H new ATOM 0 HG11 VAL A 42 14.056 1.306 4.777 1.00 33.21 H new ATOM 0 HG12 VAL A 42 15.642 2.021 5.151 1.00 33.21 H new ATOM 0 HG13 VAL A 42 14.824 0.993 6.351 1.00 33.21 H new ATOM 0 HG21 VAL A 42 12.011 2.164 5.867 1.00 43.33 H new ATOM 0 HG22 VAL A 42 12.696 1.888 7.487 1.00 43.33 H new ATOM 0 HG23 VAL A 42 12.110 3.506 7.032 1.00 43.33 H new ATOM 674 N VAL A 43 16.377 5.093 6.148 1.00 65.20 N ATOM 675 CA VAL A 43 17.652 5.518 5.583 1.00 43.52 C ATOM 676 C VAL A 43 18.750 5.518 6.641 1.00 61.24 C ATOM 677 O VAL A 43 19.870 5.073 6.388 1.00 53.11 O ATOM 678 CB VAL A 43 17.551 6.926 4.965 1.00 35.22 C ATOM 679 CG1 VAL A 43 18.824 7.271 4.209 1.00 64.42 C ATOM 680 CG2 VAL A 43 16.337 7.020 4.053 1.00 51.31 C ATOM 0 H VAL A 43 15.630 5.783 6.071 1.00 65.20 H new ATOM 0 HA VAL A 43 17.905 4.802 4.801 1.00 43.52 H new ATOM 0 HB VAL A 43 17.429 7.650 5.771 1.00 35.22 H new ATOM 0 HG11 VAL A 43 18.733 8.269 3.780 1.00 64.42 H new ATOM 0 HG12 VAL A 43 19.672 7.246 4.894 1.00 64.42 H new ATOM 0 HG13 VAL A 43 18.981 6.546 3.411 1.00 64.42 H new ATOM 0 HG21 VAL A 43 16.280 8.021 3.625 1.00 51.31 H new ATOM 0 HG22 VAL A 43 16.426 6.287 3.251 1.00 51.31 H new ATOM 0 HG23 VAL A 43 15.433 6.820 4.629 1.00 51.31 H new ATOM 690 N SER A 44 18.421 6.019 7.827 1.00 22.31 N ATOM 691 CA SER A 44 19.380 6.079 8.924 1.00 44.22 C ATOM 692 C SER A 44 19.879 4.684 9.287 1.00 63.23 C ATOM 693 O SER A 44 20.940 4.529 9.892 1.00 20.52 O ATOM 694 CB SER A 44 18.746 6.741 10.149 1.00 72.15 C ATOM 695 OG SER A 44 19.631 6.721 11.255 1.00 33.51 O ATOM 0 H SER A 44 17.498 6.389 8.053 1.00 22.31 H new ATOM 0 HA SER A 44 20.231 6.676 8.597 1.00 44.22 H new ATOM 0 HB2 SER A 44 18.478 7.771 9.912 1.00 72.15 H new ATOM 0 HB3 SER A 44 17.823 6.223 10.409 1.00 72.15 H new ATOM 0 HG SER A 44 19.203 7.151 12.024 1.00 33.51 H new ATOM 701 N LYS A 45 19.106 3.670 8.912 1.00 3.12 N ATOM 702 CA LYS A 45 19.468 2.286 9.196 1.00 54.33 C ATOM 703 C LYS A 45 20.194 1.660 8.010 1.00 73.44 C ATOM 704 O LYS A 45 20.220 0.437 7.862 1.00 42.43 O ATOM 705 CB LYS A 45 18.218 1.470 9.532 1.00 73.35 C ATOM 706 CG LYS A 45 17.476 1.970 10.759 1.00 20.10 C ATOM 707 CD LYS A 45 18.085 1.424 12.040 1.00 43.15 C ATOM 708 CE LYS A 45 17.179 1.669 13.236 1.00 20.34 C ATOM 709 NZ LYS A 45 17.363 0.635 14.292 1.00 23.21 N ATOM 0 H LYS A 45 18.225 3.781 8.411 1.00 3.12 H new ATOM 0 HA LYS A 45 20.140 2.280 10.054 1.00 54.33 H new ATOM 0 HB2 LYS A 45 17.542 1.488 8.677 1.00 73.35 H new ATOM 0 HB3 LYS A 45 18.505 0.430 9.690 1.00 73.35 H new ATOM 0 HG2 LYS A 45 17.498 3.060 10.780 1.00 20.10 H new ATOM 0 HG3 LYS A 45 16.429 1.674 10.698 1.00 20.10 H new ATOM 0 HD2 LYS A 45 18.265 0.354 11.932 1.00 43.15 H new ATOM 0 HD3 LYS A 45 19.053 1.894 12.213 1.00 43.15 H new ATOM 0 HE2 LYS A 45 17.386 2.655 13.653 1.00 20.34 H new ATOM 0 HE3 LYS A 45 16.139 1.673 12.909 1.00 20.34 H new ATOM 0 HZ1 LYS A 45 16.728 0.837 15.090 1.00 23.21 H new ATOM 0 HZ2 LYS A 45 17.141 -0.303 13.902 1.00 23.21 H new ATOM 0 HZ3 LYS A 45 18.349 0.648 14.622 1.00 23.21 H new ATOM 723 N ILE A 46 20.782 2.504 7.169 1.00 61.41 N ATOM 724 CA ILE A 46 21.510 2.031 5.998 1.00 44.21 C ATOM 725 C ILE A 46 22.997 2.350 6.110 1.00 64.01 C ATOM 726 O ILE A 46 23.846 1.564 5.688 1.00 50.01 O ATOM 727 CB ILE A 46 20.959 2.656 4.702 1.00 22.54 C ATOM 728 CG1 ILE A 46 19.473 2.326 4.544 1.00 45.13 C ATOM 729 CG2 ILE A 46 21.748 2.162 3.499 1.00 23.21 C ATOM 730 CD1 ILE A 46 18.853 2.919 3.298 1.00 12.12 C ATOM 0 H ILE A 46 20.769 3.518 7.277 1.00 61.41 H new ATOM 0 HA ILE A 46 21.374 0.950 5.957 1.00 44.21 H new ATOM 0 HB ILE A 46 21.067 3.739 4.763 1.00 22.54 H new ATOM 0 HG12 ILE A 46 19.350 1.243 4.522 1.00 45.13 H new ATOM 0 HG13 ILE A 46 18.933 2.690 5.418 1.00 45.13 H new ATOM 0 HG21 ILE A 46 21.347 2.612 2.591 1.00 23.21 H new ATOM 0 HG22 ILE A 46 22.795 2.442 3.611 1.00 23.21 H new ATOM 0 HG23 ILE A 46 21.668 1.077 3.432 1.00 23.21 H new ATOM 0 HD11 ILE A 46 17.799 2.645 3.250 1.00 12.12 H new ATOM 0 HD12 ILE A 46 18.945 4.005 3.327 1.00 12.12 H new ATOM 0 HD13 ILE A 46 19.368 2.535 2.417 1.00 12.12 H new ATOM 742 N LYS A 47 23.307 3.508 6.683 1.00 21.13 N ATOM 743 CA LYS A 47 24.692 3.931 6.855 1.00 52.21 C ATOM 744 C LYS A 47 25.376 3.122 7.952 1.00 10.12 C ATOM 745 O LYS A 47 26.597 2.969 7.952 1.00 60.30 O ATOM 746 CB LYS A 47 24.753 5.422 7.193 1.00 53.52 C ATOM 747 CG LYS A 47 23.874 5.816 8.368 1.00 42.34 C ATOM 748 CD LYS A 47 22.888 6.907 7.985 1.00 33.13 C ATOM 749 CE LYS A 47 22.552 7.796 9.173 1.00 44.43 C ATOM 750 NZ LYS A 47 22.141 9.162 8.744 1.00 34.20 N ATOM 0 H LYS A 47 22.617 4.171 7.036 1.00 21.13 H new ATOM 0 HA LYS A 47 25.218 3.755 5.917 1.00 52.21 H new ATOM 0 HB2 LYS A 47 25.785 5.694 7.415 1.00 53.52 H new ATOM 0 HB3 LYS A 47 24.453 5.997 6.317 1.00 53.52 H new ATOM 0 HG2 LYS A 47 23.330 4.942 8.726 1.00 42.34 H new ATOM 0 HG3 LYS A 47 24.499 6.162 9.191 1.00 42.34 H new ATOM 0 HD2 LYS A 47 23.308 7.513 7.183 1.00 33.13 H new ATOM 0 HD3 LYS A 47 21.975 6.454 7.598 1.00 33.13 H new ATOM 0 HE2 LYS A 47 21.749 7.340 9.752 1.00 44.43 H new ATOM 0 HE3 LYS A 47 23.419 7.867 9.830 1.00 44.43 H new ATOM 0 HZ1 LYS A 47 21.920 9.737 9.582 1.00 34.20 H new ATOM 0 HZ2 LYS A 47 22.916 9.607 8.213 1.00 34.20 H new ATOM 0 HZ3 LYS A 47 21.299 9.097 8.137 1.00 34.20 H new ATOM 764 N GLN A 48 24.581 2.606 8.884 1.00 11.40 N ATOM 765 CA GLN A 48 25.111 1.812 9.986 1.00 4.50 C ATOM 766 C GLN A 48 25.467 0.404 9.521 1.00 51.34 C ATOM 767 O GLN A 48 26.318 -0.260 10.114 1.00 54.51 O ATOM 768 CB GLN A 48 24.096 1.744 11.128 1.00 71.20 C ATOM 769 CG GLN A 48 22.737 1.211 10.703 1.00 41.23 C ATOM 770 CD GLN A 48 21.914 0.712 11.873 1.00 34.43 C ATOM 771 OE1 GLN A 48 21.349 -0.382 11.828 1.00 12.43 O ATOM 772 NE2 GLN A 48 21.841 1.512 12.931 1.00 60.34 N ATOM 0 H GLN A 48 23.568 2.724 8.898 1.00 11.40 H new ATOM 0 HA GLN A 48 26.019 2.296 10.345 1.00 4.50 H new ATOM 0 HB2 GLN A 48 24.494 1.110 11.920 1.00 71.20 H new ATOM 0 HB3 GLN A 48 23.970 2.741 11.551 1.00 71.20 H new ATOM 0 HG2 GLN A 48 22.188 1.998 10.187 1.00 41.23 H new ATOM 0 HG3 GLN A 48 22.876 0.399 9.989 1.00 41.23 H new ATOM 0 HE21 GLN A 48 22.325 2.410 12.926 1.00 60.34 H new ATOM 0 HE22 GLN A 48 21.301 1.228 13.749 1.00 60.34 H new ATOM 781 N ILE A 49 24.810 -0.045 8.457 1.00 63.25 N ATOM 782 CA ILE A 49 25.058 -1.374 7.912 1.00 61.33 C ATOM 783 C ILE A 49 26.274 -1.373 6.991 1.00 33.10 C ATOM 784 O ILE A 49 27.313 -1.949 7.316 1.00 50.01 O ATOM 785 CB ILE A 49 23.838 -1.900 7.132 1.00 2.41 C ATOM 786 CG1 ILE A 49 22.564 -1.733 7.963 1.00 42.00 C ATOM 787 CG2 ILE A 49 24.041 -3.358 6.751 1.00 64.32 C ATOM 788 CD1 ILE A 49 22.578 -2.521 9.254 1.00 14.43 C ATOM 0 H ILE A 49 24.102 0.492 7.955 1.00 63.25 H new ATOM 0 HA ILE A 49 25.248 -2.032 8.760 1.00 61.33 H new ATOM 0 HB ILE A 49 23.732 -1.318 6.217 1.00 2.41 H new ATOM 0 HG12 ILE A 49 22.426 -0.677 8.193 1.00 42.00 H new ATOM 0 HG13 ILE A 49 21.707 -2.044 7.366 1.00 42.00 H new ATOM 0 HG21 ILE A 49 23.170 -3.715 6.201 1.00 64.32 H new ATOM 0 HG22 ILE A 49 24.929 -3.450 6.125 1.00 64.32 H new ATOM 0 HG23 ILE A 49 24.169 -3.955 7.654 1.00 64.32 H new ATOM 0 HD11 ILE A 49 21.644 -2.355 9.792 1.00 14.43 H new ATOM 0 HD12 ILE A 49 22.685 -3.583 9.031 1.00 14.43 H new ATOM 0 HD13 ILE A 49 23.415 -2.194 9.871 1.00 14.43 H new ATOM 800 N LEU A 50 26.138 -0.721 5.842 1.00 75.34 N ATOM 801 CA LEU A 50 27.226 -0.643 4.873 1.00 14.30 C ATOM 802 C LEU A 50 28.321 0.300 5.360 1.00 2.22 C ATOM 803 O LEU A 50 29.453 -0.118 5.599 1.00 44.24 O ATOM 804 CB LEU A 50 26.696 -0.170 3.518 1.00 34.21 C ATOM 805 CG LEU A 50 25.479 -0.920 2.975 1.00 71.32 C ATOM 806 CD1 LEU A 50 24.839 -0.144 1.834 1.00 20.21 C ATOM 807 CD2 LEU A 50 25.874 -2.317 2.517 1.00 40.43 C ATOM 0 H LEU A 50 25.285 -0.239 5.558 1.00 75.34 H new ATOM 0 HA LEU A 50 27.653 -1.640 4.761 1.00 14.30 H new ATOM 0 HB2 LEU A 50 26.440 0.887 3.599 1.00 34.21 H new ATOM 0 HB3 LEU A 50 27.502 -0.248 2.788 1.00 34.21 H new ATOM 0 HG LEU A 50 24.747 -1.016 3.777 1.00 71.32 H new ATOM 0 HD11 LEU A 50 23.975 -0.693 1.460 1.00 20.21 H new ATOM 0 HD12 LEU A 50 24.520 0.834 2.193 1.00 20.21 H new ATOM 0 HD13 LEU A 50 25.563 -0.016 1.029 1.00 20.21 H new ATOM 0 HD21 LEU A 50 24.996 -2.836 2.134 1.00 40.43 H new ATOM 0 HD22 LEU A 50 26.624 -2.243 1.730 1.00 40.43 H new ATOM 0 HD23 LEU A 50 26.285 -2.873 3.359 1.00 40.43 H new ATOM 819 N GLY A 51 27.975 1.575 5.508 1.00 50.50 N ATOM 820 CA GLY A 51 28.939 2.557 5.968 1.00 4.42 C ATOM 821 C GLY A 51 28.995 3.779 5.073 1.00 52.40 C ATOM 822 O GLY A 51 30.073 4.303 4.793 1.00 45.04 O ATOM 0 H GLY A 51 27.044 1.945 5.317 1.00 50.50 H new ATOM 0 HA2 GLY A 51 28.684 2.865 6.982 1.00 4.42 H new ATOM 0 HA3 GLY A 51 29.927 2.098 6.013 1.00 4.42 H new ATOM 826 N ILE A 52 27.830 4.234 4.622 1.00 25.21 N ATOM 827 CA ILE A 52 27.752 5.401 3.753 1.00 15.30 C ATOM 828 C ILE A 52 27.690 6.689 4.567 1.00 55.41 C ATOM 829 O ILE A 52 27.111 6.724 5.653 1.00 32.41 O ATOM 830 CB ILE A 52 26.522 5.332 2.828 1.00 42.32 C ATOM 831 CG1 ILE A 52 26.589 6.437 1.771 1.00 65.41 C ATOM 832 CG2 ILE A 52 25.241 5.446 3.640 1.00 11.41 C ATOM 833 CD1 ILE A 52 26.087 6.003 0.412 1.00 54.44 C ATOM 0 H ILE A 52 26.928 3.812 4.844 1.00 25.21 H new ATOM 0 HA ILE A 52 28.656 5.402 3.144 1.00 15.30 H new ATOM 0 HB ILE A 52 26.522 4.368 2.320 1.00 42.32 H new ATOM 0 HG12 ILE A 52 26.002 7.290 2.111 1.00 65.41 H new ATOM 0 HG13 ILE A 52 27.620 6.777 1.677 1.00 65.41 H new ATOM 0 HG21 ILE A 52 24.381 5.396 2.972 1.00 11.41 H new ATOM 0 HG22 ILE A 52 25.191 4.627 4.358 1.00 11.41 H new ATOM 0 HG23 ILE A 52 25.231 6.397 4.173 1.00 11.41 H new ATOM 0 HD11 ILE A 52 26.164 6.836 -0.287 1.00 54.44 H new ATOM 0 HD12 ILE A 52 26.689 5.169 0.051 1.00 54.44 H new ATOM 0 HD13 ILE A 52 25.046 5.691 0.491 1.00 54.44 H new ATOM 845 N LYS A 53 28.288 7.749 4.034 1.00 63.12 N ATOM 846 CA LYS A 53 28.300 9.042 4.708 1.00 75.21 C ATOM 847 C LYS A 53 27.204 9.950 4.160 1.00 13.51 C ATOM 848 O LYS A 53 27.426 10.706 3.214 1.00 11.50 O ATOM 849 CB LYS A 53 29.664 9.714 4.543 1.00 43.32 C ATOM 850 CG LYS A 53 30.747 9.119 5.427 1.00 74.15 C ATOM 851 CD LYS A 53 30.449 9.342 6.900 1.00 70.22 C ATOM 852 CE LYS A 53 31.722 9.335 7.733 1.00 74.32 C ATOM 853 NZ LYS A 53 31.513 9.956 9.070 1.00 54.00 N ATOM 0 H LYS A 53 28.771 7.738 3.136 1.00 63.12 H new ATOM 0 HA LYS A 53 28.112 8.873 5.768 1.00 75.21 H new ATOM 0 HB2 LYS A 53 29.974 9.636 3.501 1.00 43.32 H new ATOM 0 HB3 LYS A 53 29.566 10.776 4.768 1.00 43.32 H new ATOM 0 HG2 LYS A 53 30.833 8.050 5.230 1.00 74.15 H new ATOM 0 HG3 LYS A 53 31.709 9.567 5.177 1.00 74.15 H new ATOM 0 HD2 LYS A 53 29.934 10.294 7.028 1.00 70.22 H new ATOM 0 HD3 LYS A 53 29.774 8.564 7.258 1.00 70.22 H new ATOM 0 HE2 LYS A 53 32.068 8.309 7.859 1.00 74.32 H new ATOM 0 HE3 LYS A 53 32.507 9.873 7.201 1.00 74.32 H new ATOM 0 HZ1 LYS A 53 32.403 9.932 9.607 1.00 54.00 H new ATOM 0 HZ2 LYS A 53 31.207 10.943 8.950 1.00 54.00 H new ATOM 0 HZ3 LYS A 53 30.782 9.428 9.588 1.00 54.00 H new