USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 645 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -133:sc= 0.824 (180deg=-0.13) USER MOD Set 2.1: A 23 HIS : no HE2:sc= 0.157 K(o=2.3,f=-4.5!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.849 K(o=2.3,f=0.37) USER MOD Set 2.3: A 67 THR OG1 : rot 143:sc= 1.32 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.348 K(o=-0.35,f=-4.1!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 27 SER OG : rot 25:sc= 1.19 USER MOD Single : A 28 SER OG : rot -130:sc= 0.321 USER MOD Single : A 31 GLN : amide:sc= -1.75! K(o=-1.8!,f=-0.059) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.574 K(o=0.57,f=-0.11) USER MOD Single : A 58 MET CE :methyl 178:sc= -0.397 (180deg=-0.415) USER MOD Single : A 65 HIS : no HD1:sc= 0.358 K(o=0.36,f=-6.1!) USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= 1.14 (180deg=-0.487) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0.949 (180deg=0.949) USER MOD Single : A 75 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.3) USER MOD Single : A 79 THR OG1 : rot 28:sc= 0.352 USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 3 -12.992 7.257 0.057 1.00 11.04 N ATOM 23 CA ARG A 3 -11.744 6.521 -0.169 1.00 71.41 C ATOM 24 C ARG A 3 -10.969 6.428 1.137 1.00 72.13 C ATOM 25 O ARG A 3 -11.151 7.256 2.028 1.00 3.52 O ATOM 26 CB ARG A 3 -10.903 7.079 -1.323 1.00 2.45 C ATOM 27 CG ARG A 3 -10.469 8.532 -1.133 1.00 52.14 C ATOM 28 CD ARG A 3 -9.264 8.835 -2.023 1.00 73.33 C ATOM 29 NE ARG A 3 -9.114 10.288 -2.231 1.00 3.33 N ATOM 30 CZ ARG A 3 -8.143 11.114 -1.818 1.00 71.53 C ATOM 31 NH1 ARG A 3 -7.082 10.658 -1.151 1.00 51.44 N ATOM 32 NH2 ARG A 3 -8.264 12.413 -2.041 1.00 45.02 N ATOM 0 HA ARG A 3 -12.003 5.513 -0.494 1.00 71.41 H new ATOM 0 HB2 ARG A 3 -10.015 6.459 -1.444 1.00 2.45 H new ATOM 0 HB3 ARG A 3 -11.476 7.000 -2.247 1.00 2.45 H new ATOM 0 HG2 ARG A 3 -11.292 9.202 -1.380 1.00 52.14 H new ATOM 0 HG3 ARG A 3 -10.215 8.711 -0.088 1.00 52.14 H new ATOM 0 HD2 ARG A 3 -8.359 8.434 -1.566 1.00 73.33 H new ATOM 0 HD3 ARG A 3 -9.383 8.336 -2.985 1.00 73.33 H new ATOM 0 HE ARG A 3 -9.860 10.729 -2.769 1.00 3.33 H new ATOM 0 HH11 ARG A 3 -6.998 9.662 -0.946 1.00 51.44 H new ATOM 0 HH12 ARG A 3 -6.355 11.305 -0.846 1.00 51.44 H new ATOM 0 HH21 ARG A 3 -9.088 12.773 -2.522 1.00 45.02 H new ATOM 0 HH22 ARG A 3 -7.533 13.054 -1.732 1.00 45.02 H new ATOM 46 N PHE A 4 -10.116 5.424 1.237 1.00 44.12 N ATOM 47 CA PHE A 4 -9.250 5.137 2.368 1.00 52.33 C ATOM 48 C PHE A 4 -7.818 5.216 1.828 1.00 31.34 C ATOM 49 O PHE A 4 -7.615 5.218 0.605 1.00 50.00 O ATOM 50 CB PHE A 4 -9.615 3.761 2.943 1.00 3.21 C ATOM 51 CG PHE A 4 -10.947 3.705 3.666 1.00 11.14 C ATOM 52 CD1 PHE A 4 -12.131 3.472 2.946 1.00 15.31 C ATOM 53 CD2 PHE A 4 -11.004 3.843 5.065 1.00 33.34 C ATOM 54 CE1 PHE A 4 -13.364 3.381 3.620 1.00 45.15 C ATOM 55 CE2 PHE A 4 -12.234 3.764 5.735 1.00 22.22 C ATOM 56 CZ PHE A 4 -13.415 3.529 5.015 1.00 32.23 C ATOM 0 H PHE A 4 -10.002 4.745 0.484 1.00 44.12 H new ATOM 0 HA PHE A 4 -9.360 5.842 3.192 1.00 52.33 H new ATOM 0 HB2 PHE A 4 -9.629 3.035 2.130 1.00 3.21 H new ATOM 0 HB3 PHE A 4 -8.830 3.452 3.633 1.00 3.21 H new ATOM 0 HD1 PHE A 4 -12.095 3.362 1.872 1.00 15.31 H new ATOM 0 HD2 PHE A 4 -10.096 4.011 5.626 1.00 33.34 H new ATOM 0 HE1 PHE A 4 -14.271 3.197 3.063 1.00 45.15 H new ATOM 0 HE2 PHE A 4 -12.272 3.884 6.808 1.00 22.22 H new ATOM 0 HZ PHE A 4 -14.361 3.462 5.533 1.00 32.23 H new ATOM 66 N ILE A 5 -6.836 5.369 2.715 1.00 31.03 N ATOM 67 CA ILE A 5 -5.424 5.491 2.389 1.00 24.22 C ATOM 68 C ILE A 5 -4.589 4.605 3.313 1.00 75.44 C ATOM 69 O ILE A 5 -4.816 4.553 4.525 1.00 43.14 O ATOM 70 CB ILE A 5 -5.000 6.977 2.500 1.00 22.42 C ATOM 71 CG1 ILE A 5 -5.769 7.895 1.515 1.00 23.22 C ATOM 72 CG2 ILE A 5 -3.484 7.192 2.278 1.00 73.41 C ATOM 73 CD1 ILE A 5 -6.033 9.265 2.135 1.00 61.53 C ATOM 0 H ILE A 5 -7.014 5.413 3.718 1.00 31.03 H new ATOM 0 HA ILE A 5 -5.253 5.155 1.366 1.00 24.22 H new ATOM 0 HB ILE A 5 -5.253 7.252 3.524 1.00 22.42 H new ATOM 0 HG12 ILE A 5 -5.193 8.012 0.597 1.00 23.22 H new ATOM 0 HG13 ILE A 5 -6.715 7.428 1.240 1.00 23.22 H new ATOM 0 HG21 ILE A 5 -3.250 8.253 2.368 1.00 73.41 H new ATOM 0 HG22 ILE A 5 -2.924 6.632 3.026 1.00 73.41 H new ATOM 0 HG23 ILE A 5 -3.209 6.843 1.283 1.00 73.41 H new ATOM 0 HD11 ILE A 5 -6.574 9.889 1.423 1.00 61.53 H new ATOM 0 HD12 ILE A 5 -6.630 9.146 3.039 1.00 61.53 H new ATOM 0 HD13 ILE A 5 -5.084 9.740 2.386 1.00 61.53 H new ATOM 85 N VAL A 6 -3.580 3.954 2.743 1.00 64.21 N ATOM 86 CA VAL A 6 -2.654 3.087 3.456 1.00 71.10 C ATOM 87 C VAL A 6 -1.288 3.769 3.421 1.00 3.35 C ATOM 88 O VAL A 6 -0.912 4.411 2.431 1.00 31.14 O ATOM 89 CB VAL A 6 -2.628 1.682 2.821 1.00 64.53 C ATOM 90 CG1 VAL A 6 -1.670 0.723 3.536 1.00 4.34 C ATOM 91 CG2 VAL A 6 -4.016 1.035 2.848 1.00 63.23 C ATOM 0 H VAL A 6 -3.380 4.018 1.745 1.00 64.21 H new ATOM 0 HA VAL A 6 -2.962 2.940 4.491 1.00 71.10 H new ATOM 0 HB VAL A 6 -2.288 1.839 1.797 1.00 64.53 H new ATOM 0 HG11 VAL A 6 -1.695 -0.250 3.044 1.00 4.34 H new ATOM 0 HG12 VAL A 6 -0.657 1.124 3.497 1.00 4.34 H new ATOM 0 HG13 VAL A 6 -1.976 0.612 4.576 1.00 4.34 H new ATOM 0 HG21 VAL A 6 -3.965 0.046 2.393 1.00 63.23 H new ATOM 0 HG22 VAL A 6 -4.355 0.943 3.880 1.00 63.23 H new ATOM 0 HG23 VAL A 6 -4.717 1.655 2.290 1.00 63.23 H new ATOM 101 N PHE A 7 -0.569 3.664 4.532 1.00 15.14 N ATOM 102 CA PHE A 7 0.759 4.192 4.745 1.00 21.04 C ATOM 103 C PHE A 7 1.688 2.992 4.651 1.00 11.41 C ATOM 104 O PHE A 7 1.424 1.961 5.274 1.00 52.41 O ATOM 105 CB PHE A 7 0.839 4.780 6.151 1.00 5.24 C ATOM 106 CG PHE A 7 2.179 5.400 6.486 1.00 71.31 C ATOM 107 CD1 PHE A 7 3.210 4.619 7.042 1.00 63.51 C ATOM 108 CD2 PHE A 7 2.402 6.763 6.231 1.00 43.10 C ATOM 109 CE1 PHE A 7 4.453 5.194 7.341 1.00 22.14 C ATOM 110 CE2 PHE A 7 3.640 7.343 6.534 1.00 2.15 C ATOM 111 CZ PHE A 7 4.665 6.553 7.075 1.00 14.33 C ATOM 0 H PHE A 7 -0.926 3.177 5.354 1.00 15.14 H new ATOM 0 HA PHE A 7 1.017 4.969 4.026 1.00 21.04 H new ATOM 0 HB2 PHE A 7 0.063 5.537 6.261 1.00 5.24 H new ATOM 0 HB3 PHE A 7 0.623 3.994 6.875 1.00 5.24 H new ATOM 0 HD1 PHE A 7 3.042 3.571 7.239 1.00 63.51 H new ATOM 0 HD2 PHE A 7 1.616 7.366 5.800 1.00 43.10 H new ATOM 0 HE1 PHE A 7 5.241 4.594 7.773 1.00 22.14 H new ATOM 0 HE2 PHE A 7 3.805 8.395 6.352 1.00 2.15 H new ATOM 0 HZ PHE A 7 5.626 6.996 7.288 1.00 14.33 H new ATOM 121 N VAL A 8 2.779 3.115 3.907 1.00 72.34 N ATOM 122 CA VAL A 8 3.752 2.048 3.721 1.00 11.44 C ATOM 123 C VAL A 8 5.123 2.712 3.841 1.00 2.54 C ATOM 124 O VAL A 8 5.306 3.734 3.183 1.00 31.42 O ATOM 125 CB VAL A 8 3.494 1.409 2.339 1.00 33.55 C ATOM 126 CG1 VAL A 8 4.498 0.301 2.023 1.00 14.04 C ATOM 127 CG2 VAL A 8 2.073 0.846 2.194 1.00 23.14 C ATOM 0 H VAL A 8 3.016 3.972 3.408 1.00 72.34 H new ATOM 0 HA VAL A 8 3.686 1.245 4.455 1.00 11.44 H new ATOM 0 HB VAL A 8 3.616 2.224 1.625 1.00 33.55 H new ATOM 0 HG11 VAL A 8 4.279 -0.120 1.042 1.00 14.04 H new ATOM 0 HG12 VAL A 8 5.507 0.713 2.024 1.00 14.04 H new ATOM 0 HG13 VAL A 8 4.426 -0.482 2.778 1.00 14.04 H new ATOM 0 HG21 VAL A 8 1.954 0.411 1.202 1.00 23.14 H new ATOM 0 HG22 VAL A 8 1.907 0.078 2.950 1.00 23.14 H new ATOM 0 HG23 VAL A 8 1.348 1.649 2.328 1.00 23.14 H new ATOM 137 N GLY A 9 6.079 2.204 4.639 1.00 41.00 N ATOM 138 CA GLY A 9 7.396 2.840 4.771 1.00 51.01 C ATOM 139 C GLY A 9 8.564 1.875 4.952 1.00 54.24 C ATOM 140 O GLY A 9 8.378 0.658 4.958 1.00 1.41 O ATOM 0 H GLY A 9 5.962 1.359 5.198 1.00 41.00 H new ATOM 0 HA2 GLY A 9 7.580 3.447 3.884 1.00 51.01 H new ATOM 0 HA3 GLY A 9 7.371 3.520 5.623 1.00 51.01 H new ATOM 144 N SER A 10 9.770 2.439 5.072 1.00 5.20 N ATOM 145 CA SER A 10 11.069 1.776 5.231 1.00 35.34 C ATOM 146 C SER A 10 11.561 1.176 3.899 1.00 0.31 C ATOM 147 O SER A 10 12.446 0.317 3.881 1.00 42.21 O ATOM 148 CB SER A 10 10.988 0.720 6.345 1.00 52.52 C ATOM 149 OG SER A 10 12.166 0.676 7.124 1.00 40.51 O ATOM 0 H SER A 10 9.871 3.454 5.059 1.00 5.20 H new ATOM 0 HA SER A 10 11.808 2.521 5.527 1.00 35.34 H new ATOM 0 HB2 SER A 10 10.136 0.938 6.989 1.00 52.52 H new ATOM 0 HB3 SER A 10 10.810 -0.260 5.902 1.00 52.52 H new ATOM 0 HG SER A 10 12.072 -0.007 7.821 1.00 40.51 H new ATOM 155 N LEU A 11 10.992 1.606 2.771 1.00 72.43 N ATOM 156 CA LEU A 11 11.307 1.113 1.432 1.00 1.33 C ATOM 157 C LEU A 11 12.733 1.471 0.987 1.00 24.10 C ATOM 158 O LEU A 11 13.226 2.554 1.327 1.00 41.35 O ATOM 159 CB LEU A 11 10.281 1.659 0.416 1.00 31.15 C ATOM 160 CG LEU A 11 8.928 0.916 0.398 1.00 42.34 C ATOM 161 CD1 LEU A 11 8.242 0.742 1.756 1.00 72.13 C ATOM 162 CD2 LEU A 11 7.938 1.675 -0.489 1.00 62.21 C ATOM 0 H LEU A 11 10.275 2.332 2.766 1.00 72.43 H new ATOM 0 HA LEU A 11 11.250 0.025 1.469 1.00 1.33 H new ATOM 0 HB2 LEU A 11 10.099 2.711 0.635 1.00 31.15 H new ATOM 0 HB3 LEU A 11 10.718 1.612 -0.581 1.00 31.15 H new ATOM 0 HG LEU A 11 9.179 -0.079 0.031 1.00 42.34 H new ATOM 0 HD11 LEU A 11 7.301 0.208 1.623 1.00 72.13 H new ATOM 0 HD12 LEU A 11 8.891 0.173 2.421 1.00 72.13 H new ATOM 0 HD13 LEU A 11 8.044 1.721 2.192 1.00 72.13 H new ATOM 0 HD21 LEU A 11 6.983 1.149 -0.501 1.00 62.21 H new ATOM 0 HD22 LEU A 11 7.794 2.681 -0.095 1.00 62.21 H new ATOM 0 HD23 LEU A 11 8.331 1.736 -1.504 1.00 62.21 H new ATOM 174 N PRO A 12 13.387 0.591 0.201 1.00 40.34 N ATOM 175 CA PRO A 12 14.739 0.810 -0.311 1.00 14.12 C ATOM 176 C PRO A 12 14.795 1.962 -1.314 1.00 50.34 C ATOM 177 O PRO A 12 13.769 2.443 -1.793 1.00 41.54 O ATOM 178 CB PRO A 12 15.149 -0.486 -1.030 1.00 75.13 C ATOM 179 CG PRO A 12 13.868 -1.296 -1.205 1.00 61.20 C ATOM 180 CD PRO A 12 12.864 -0.701 -0.226 1.00 44.51 C ATOM 0 HA PRO A 12 15.403 1.065 0.515 1.00 14.12 H new ATOM 0 HB2 PRO A 12 15.607 -0.268 -1.995 1.00 75.13 H new ATOM 0 HB3 PRO A 12 15.884 -1.040 -0.446 1.00 75.13 H new ATOM 0 HG2 PRO A 12 13.501 -1.231 -2.229 1.00 61.20 H new ATOM 0 HG3 PRO A 12 14.041 -2.351 -0.995 1.00 61.20 H new ATOM 0 HD2 PRO A 12 11.889 -0.583 -0.699 1.00 44.51 H new ATOM 0 HD3 PRO A 12 12.725 -1.361 0.630 1.00 44.51 H new ATOM 188 N ARG A 13 16.007 2.409 -1.650 1.00 30.40 N ATOM 189 CA ARG A 13 16.208 3.473 -2.632 1.00 32.04 C ATOM 190 C ARG A 13 15.972 2.891 -4.025 1.00 13.43 C ATOM 191 O ARG A 13 15.424 3.579 -4.882 1.00 63.24 O ATOM 192 CB ARG A 13 17.617 4.068 -2.525 1.00 44.35 C ATOM 193 CG ARG A 13 17.836 4.819 -1.199 1.00 41.02 C ATOM 194 CD ARG A 13 18.485 6.186 -1.430 1.00 71.25 C ATOM 195 NE ARG A 13 19.856 6.075 -1.962 1.00 54.12 N ATOM 196 CZ ARG A 13 21.004 6.347 -1.328 1.00 73.33 C ATOM 197 NH1 ARG A 13 21.032 6.812 -0.082 1.00 52.05 N ATOM 198 NH2 ARG A 13 22.150 6.158 -1.966 1.00 34.25 N ATOM 0 H ARG A 13 16.872 2.045 -1.250 1.00 30.40 H new ATOM 0 HA ARG A 13 15.504 4.283 -2.441 1.00 32.04 H new ATOM 0 HB2 ARG A 13 18.354 3.269 -2.613 1.00 44.35 H new ATOM 0 HB3 ARG A 13 17.785 4.750 -3.358 1.00 44.35 H new ATOM 0 HG2 ARG A 13 16.880 4.950 -0.691 1.00 41.02 H new ATOM 0 HG3 ARG A 13 18.467 4.222 -0.541 1.00 41.02 H new ATOM 0 HD2 ARG A 13 17.874 6.762 -2.125 1.00 71.25 H new ATOM 0 HD3 ARG A 13 18.506 6.738 -0.491 1.00 71.25 H new ATOM 0 HE ARG A 13 19.940 5.753 -2.926 1.00 54.12 H new ATOM 0 HH11 ARG A 13 20.160 6.973 0.422 1.00 52.05 H new ATOM 0 HH12 ARG A 13 21.926 7.008 0.369 1.00 52.05 H new ATOM 0 HH21 ARG A 13 22.149 5.810 -2.925 1.00 34.25 H new ATOM 0 HH22 ARG A 13 23.034 6.360 -1.498 1.00 34.25 H new ATOM 212 N ASP A 14 16.342 1.620 -4.225 1.00 43.42 N ATOM 213 CA ASP A 14 16.188 0.884 -5.484 1.00 2.33 C ATOM 214 C ASP A 14 14.765 0.348 -5.670 1.00 61.11 C ATOM 215 O ASP A 14 14.546 -0.549 -6.481 1.00 32.31 O ATOM 216 CB ASP A 14 17.205 -0.257 -5.596 1.00 33.13 C ATOM 217 CG ASP A 14 17.773 -0.325 -7.013 1.00 14.11 C ATOM 218 OD1 ASP A 14 18.732 0.440 -7.250 1.00 20.32 O ATOM 219 OD2 ASP A 14 17.245 -1.072 -7.871 1.00 42.23 O ATOM 0 H ASP A 14 16.771 1.058 -3.490 1.00 43.42 H new ATOM 0 HA ASP A 14 16.381 1.598 -6.284 1.00 2.33 H new ATOM 0 HB2 ASP A 14 18.013 -0.105 -4.880 1.00 33.13 H new ATOM 0 HB3 ASP A 14 16.729 -1.204 -5.342 1.00 33.13 H new ATOM 224 N ILE A 15 13.799 0.779 -4.852 1.00 43.42 N ATOM 225 CA ILE A 15 12.416 0.332 -4.955 1.00 12.40 C ATOM 226 C ILE A 15 11.907 0.580 -6.383 1.00 51.42 C ATOM 227 O ILE A 15 12.218 1.611 -6.985 1.00 70.23 O ATOM 228 CB ILE A 15 11.566 1.001 -3.865 1.00 24.44 C ATOM 229 CG1 ILE A 15 10.130 0.442 -3.855 1.00 2.12 C ATOM 230 CG2 ILE A 15 11.546 2.526 -4.016 1.00 1.24 C ATOM 231 CD1 ILE A 15 10.047 -1.006 -3.361 1.00 71.21 C ATOM 0 H ILE A 15 13.960 1.449 -4.100 1.00 43.42 H new ATOM 0 HA ILE A 15 12.340 -0.741 -4.778 1.00 12.40 H new ATOM 0 HB ILE A 15 12.033 0.766 -2.908 1.00 24.44 H new ATOM 0 HG12 ILE A 15 9.507 1.072 -3.220 1.00 2.12 H new ATOM 0 HG13 ILE A 15 9.718 0.499 -4.863 1.00 2.12 H new ATOM 0 HG21 ILE A 15 10.934 2.962 -3.226 1.00 1.24 H new ATOM 0 HG22 ILE A 15 12.563 2.912 -3.942 1.00 1.24 H new ATOM 0 HG23 ILE A 15 11.127 2.790 -4.987 1.00 1.24 H new ATOM 0 HD11 ILE A 15 9.009 -1.338 -3.379 1.00 71.21 H new ATOM 0 HD12 ILE A 15 10.644 -1.647 -4.010 1.00 71.21 H new ATOM 0 HD13 ILE A 15 10.429 -1.065 -2.342 1.00 71.21 H new ATOM 243 N THR A 16 11.078 -0.319 -6.908 1.00 3.54 N ATOM 244 CA THR A 16 10.533 -0.247 -8.250 1.00 34.44 C ATOM 245 C THR A 16 9.016 -0.390 -8.207 1.00 71.42 C ATOM 246 O THR A 16 8.466 -1.078 -7.341 1.00 1.04 O ATOM 247 CB THR A 16 11.227 -1.343 -9.081 1.00 33.02 C ATOM 248 OG1 THR A 16 11.313 -2.556 -8.342 1.00 13.40 O ATOM 249 CG2 THR A 16 12.642 -0.902 -9.452 1.00 2.32 C ATOM 0 H THR A 16 10.761 -1.140 -6.392 1.00 3.54 H new ATOM 0 HA THR A 16 10.724 0.719 -8.718 1.00 34.44 H new ATOM 0 HB THR A 16 10.635 -1.506 -9.982 1.00 33.02 H new ATOM 0 HG1 THR A 16 11.755 -3.240 -8.887 1.00 13.40 H new ATOM 0 HG21 THR A 16 13.124 -1.683 -10.039 1.00 2.32 H new ATOM 0 HG22 THR A 16 12.595 0.016 -10.038 1.00 2.32 H new ATOM 0 HG23 THR A 16 13.217 -0.723 -8.544 1.00 2.32 H new ATOM 257 N ALA A 17 8.333 0.268 -9.147 1.00 5.12 N ATOM 258 CA ALA A 17 6.887 0.220 -9.258 1.00 12.20 C ATOM 259 C ALA A 17 6.415 -1.206 -9.533 1.00 41.54 C ATOM 260 O ALA A 17 5.323 -1.549 -9.096 1.00 0.55 O ATOM 261 CB ALA A 17 6.409 1.150 -10.371 1.00 12.41 C ATOM 0 H ALA A 17 8.779 0.852 -9.855 1.00 5.12 H new ATOM 0 HA ALA A 17 6.461 0.552 -8.311 1.00 12.20 H new ATOM 0 HB1 ALA A 17 5.322 1.103 -10.442 1.00 12.41 H new ATOM 0 HB2 ALA A 17 6.714 2.172 -10.147 1.00 12.41 H new ATOM 0 HB3 ALA A 17 6.849 0.839 -11.319 1.00 12.41 H new ATOM 267 N VAL A 18 7.219 -2.039 -10.205 1.00 63.03 N ATOM 268 CA VAL A 18 6.830 -3.414 -10.491 1.00 75.20 C ATOM 269 C VAL A 18 6.669 -4.187 -9.186 1.00 53.10 C ATOM 270 O VAL A 18 5.758 -5.012 -9.078 1.00 31.31 O ATOM 271 CB VAL A 18 7.813 -4.097 -11.474 1.00 32.34 C ATOM 272 CG1 VAL A 18 9.236 -4.252 -10.926 1.00 31.51 C ATOM 273 CG2 VAL A 18 7.284 -5.468 -11.918 1.00 62.14 C ATOM 0 H VAL A 18 8.140 -1.780 -10.558 1.00 63.03 H new ATOM 0 HA VAL A 18 5.865 -3.409 -10.997 1.00 75.20 H new ATOM 0 HB VAL A 18 7.875 -3.424 -12.329 1.00 32.34 H new ATOM 0 HG11 VAL A 18 9.863 -4.739 -11.673 1.00 31.51 H new ATOM 0 HG12 VAL A 18 9.645 -3.269 -10.693 1.00 31.51 H new ATOM 0 HG13 VAL A 18 9.213 -4.859 -10.021 1.00 31.51 H new ATOM 0 HG21 VAL A 18 7.993 -5.926 -12.608 1.00 62.14 H new ATOM 0 HG22 VAL A 18 7.160 -6.110 -11.046 1.00 62.14 H new ATOM 0 HG23 VAL A 18 6.323 -5.343 -12.416 1.00 62.14 H new ATOM 283 N GLU A 19 7.540 -3.930 -8.203 1.00 15.24 N ATOM 284 CA GLU A 19 7.484 -4.619 -6.930 1.00 5.35 C ATOM 285 C GLU A 19 6.271 -4.129 -6.154 1.00 52.52 C ATOM 286 O GLU A 19 5.524 -4.933 -5.610 1.00 21.53 O ATOM 287 CB GLU A 19 8.822 -4.413 -6.201 1.00 63.44 C ATOM 288 CG GLU A 19 9.887 -5.410 -6.693 1.00 75.43 C ATOM 289 CD GLU A 19 9.746 -6.814 -6.091 1.00 1.33 C ATOM 290 OE1 GLU A 19 8.646 -7.413 -6.159 1.00 32.11 O ATOM 291 OE2 GLU A 19 10.765 -7.347 -5.600 1.00 41.52 O ATOM 0 H GLU A 19 8.292 -3.244 -8.276 1.00 15.24 H new ATOM 0 HA GLU A 19 7.355 -5.695 -7.052 1.00 5.35 H new ATOM 0 HB2 GLU A 19 9.173 -3.394 -6.362 1.00 63.44 H new ATOM 0 HB3 GLU A 19 8.676 -4.534 -5.128 1.00 63.44 H new ATOM 0 HG2 GLU A 19 9.829 -5.483 -7.779 1.00 75.43 H new ATOM 0 HG3 GLU A 19 10.876 -5.019 -6.452 1.00 75.43 H new ATOM 298 N LEU A 20 6.031 -2.820 -6.158 1.00 53.43 N ATOM 299 CA LEU A 20 4.907 -2.189 -5.481 1.00 1.32 C ATOM 300 C LEU A 20 3.576 -2.687 -6.037 1.00 64.43 C ATOM 301 O LEU A 20 2.683 -3.065 -5.273 1.00 32.40 O ATOM 302 CB LEU A 20 5.047 -0.669 -5.662 1.00 32.23 C ATOM 303 CG LEU A 20 5.355 0.071 -4.357 1.00 22.11 C ATOM 304 CD1 LEU A 20 6.609 -0.467 -3.661 1.00 32.21 C ATOM 305 CD2 LEU A 20 5.612 1.533 -4.710 1.00 20.11 C ATOM 0 H LEU A 20 6.630 -2.154 -6.646 1.00 53.43 H new ATOM 0 HA LEU A 20 4.917 -2.445 -4.422 1.00 1.32 H new ATOM 0 HB2 LEU A 20 5.840 -0.467 -6.382 1.00 32.23 H new ATOM 0 HB3 LEU A 20 4.124 -0.274 -6.086 1.00 32.23 H new ATOM 0 HG LEU A 20 4.510 -0.062 -3.681 1.00 22.11 H new ATOM 0 HD11 LEU A 20 6.783 0.092 -2.741 1.00 32.21 H new ATOM 0 HD12 LEU A 20 6.469 -1.522 -3.424 1.00 32.21 H new ATOM 0 HD13 LEU A 20 7.469 -0.354 -4.322 1.00 32.21 H new ATOM 0 HD21 LEU A 20 5.835 2.093 -3.802 1.00 20.11 H new ATOM 0 HD22 LEU A 20 6.458 1.599 -5.394 1.00 20.11 H new ATOM 0 HD23 LEU A 20 4.726 1.953 -5.187 1.00 20.11 H new ATOM 317 N GLN A 21 3.432 -2.672 -7.364 1.00 24.45 N ATOM 318 CA GLN A 21 2.232 -3.117 -8.047 1.00 64.22 C ATOM 319 C GLN A 21 1.971 -4.579 -7.700 1.00 64.13 C ATOM 320 O GLN A 21 0.828 -4.927 -7.433 1.00 73.22 O ATOM 321 CB GLN A 21 2.374 -2.915 -9.570 1.00 30.52 C ATOM 322 CG GLN A 21 2.143 -1.466 -10.039 1.00 24.41 C ATOM 323 CD GLN A 21 0.658 -1.107 -10.120 1.00 52.35 C ATOM 324 OE1 GLN A 21 -0.130 -1.504 -9.273 1.00 32.33 O ATOM 325 NE2 GLN A 21 0.226 -0.356 -11.121 1.00 74.42 N ATOM 0 H GLN A 21 4.161 -2.344 -7.997 1.00 24.45 H new ATOM 0 HA GLN A 21 1.379 -2.523 -7.718 1.00 64.22 H new ATOM 0 HB2 GLN A 21 3.372 -3.229 -9.875 1.00 30.52 H new ATOM 0 HB3 GLN A 21 1.665 -3.567 -10.079 1.00 30.52 H new ATOM 0 HG2 GLN A 21 2.642 -0.781 -9.353 1.00 24.41 H new ATOM 0 HG3 GLN A 21 2.601 -1.327 -11.018 1.00 24.41 H new ATOM 0 HE21 GLN A 21 0.881 -0.024 -11.829 1.00 74.42 H new ATOM 0 HE22 GLN A 21 -0.762 -0.110 -11.184 1.00 74.42 H new ATOM 334 N ASN A 22 3.015 -5.411 -7.673 1.00 24.33 N ATOM 335 CA ASN A 22 2.953 -6.835 -7.359 1.00 51.42 C ATOM 336 C ASN A 22 2.608 -7.124 -5.895 1.00 63.32 C ATOM 337 O ASN A 22 1.812 -8.023 -5.625 1.00 74.14 O ATOM 338 CB ASN A 22 4.313 -7.456 -7.702 1.00 41.33 C ATOM 339 CG ASN A 22 4.433 -8.871 -7.171 1.00 44.32 C ATOM 340 OD1 ASN A 22 3.644 -9.741 -7.523 1.00 14.34 O ATOM 341 ND2 ASN A 22 5.409 -9.106 -6.316 1.00 63.32 N ATOM 0 H ASN A 22 3.963 -5.095 -7.878 1.00 24.33 H new ATOM 0 HA ASN A 22 2.148 -7.272 -7.950 1.00 51.42 H new ATOM 0 HB2 ASN A 22 4.449 -7.460 -8.784 1.00 41.33 H new ATOM 0 HB3 ASN A 22 5.110 -6.841 -7.283 1.00 41.33 H new ATOM 0 HD21 ASN A 22 5.528 -10.039 -5.922 1.00 63.32 H new ATOM 0 HD22 ASN A 22 6.045 -8.354 -6.049 1.00 63.32 H new ATOM 348 N HIS A 23 3.161 -6.372 -4.947 1.00 2.34 N ATOM 349 CA HIS A 23 2.907 -6.580 -3.522 1.00 53.43 C ATOM 350 C HIS A 23 1.453 -6.286 -3.151 1.00 41.45 C ATOM 351 O HIS A 23 0.830 -7.037 -2.401 1.00 54.25 O ATOM 352 CB HIS A 23 3.868 -5.720 -2.686 1.00 43.02 C ATOM 353 CG HIS A 23 4.594 -6.547 -1.669 1.00 51.15 C ATOM 354 ND1 HIS A 23 5.641 -7.424 -1.953 1.00 52.34 N ATOM 355 CD2 HIS A 23 4.292 -6.604 -0.345 1.00 42.31 C ATOM 356 CE1 HIS A 23 5.952 -7.989 -0.776 1.00 10.43 C ATOM 357 NE2 HIS A 23 5.157 -7.518 0.203 1.00 71.32 N ATOM 0 H HIS A 23 3.798 -5.600 -5.144 1.00 2.34 H new ATOM 0 HA HIS A 23 3.086 -7.632 -3.301 1.00 53.43 H new ATOM 0 HB2 HIS A 23 4.588 -5.233 -3.343 1.00 43.02 H new ATOM 0 HB3 HIS A 23 3.309 -4.930 -2.184 1.00 43.02 H new ATOM 0 HD1 HIS A 23 6.076 -7.598 -2.859 1.00 52.34 H new ATOM 0 HD2 HIS A 23 3.527 -6.044 0.171 1.00 42.31 H new ATOM 0 HE1 HIS A 23 6.733 -8.721 -0.634 1.00 10.43 H new ATOM 365 N PHE A 24 0.885 -5.214 -3.712 1.00 4.21 N ATOM 366 CA PHE A 24 -0.490 -4.789 -3.449 1.00 3.12 C ATOM 367 C PHE A 24 -1.478 -5.206 -4.526 1.00 34.22 C ATOM 368 O PHE A 24 -2.659 -4.890 -4.395 1.00 61.13 O ATOM 369 CB PHE A 24 -0.502 -3.289 -3.137 1.00 31.32 C ATOM 370 CG PHE A 24 0.291 -2.939 -1.890 1.00 62.04 C ATOM 371 CD1 PHE A 24 -0.192 -3.293 -0.615 1.00 42.33 C ATOM 372 CD2 PHE A 24 1.523 -2.272 -2.002 1.00 70.24 C ATOM 373 CE1 PHE A 24 0.546 -2.962 0.536 1.00 31.35 C ATOM 374 CE2 PHE A 24 2.236 -1.893 -0.855 1.00 33.33 C ATOM 375 CZ PHE A 24 1.755 -2.256 0.417 1.00 24.12 C ATOM 0 H PHE A 24 1.376 -4.610 -4.371 1.00 4.21 H new ATOM 0 HA PHE A 24 -0.852 -5.321 -2.569 1.00 3.12 H new ATOM 0 HB2 PHE A 24 -0.093 -2.743 -3.987 1.00 31.32 H new ATOM 0 HB3 PHE A 24 -1.533 -2.957 -3.011 1.00 31.32 H new ATOM 0 HD1 PHE A 24 -1.130 -3.819 -0.521 1.00 42.33 H new ATOM 0 HD2 PHE A 24 1.924 -2.049 -2.980 1.00 70.24 H new ATOM 0 HE1 PHE A 24 0.183 -3.251 1.511 1.00 31.35 H new ATOM 0 HE2 PHE A 24 3.150 -1.325 -0.947 1.00 33.33 H new ATOM 0 HZ PHE A 24 2.315 -1.992 1.302 1.00 24.12 H new ATOM 385 N LYS A 25 -1.057 -5.975 -5.529 1.00 43.12 N ATOM 386 CA LYS A 25 -1.893 -6.463 -6.617 1.00 64.50 C ATOM 387 C LYS A 25 -3.143 -7.126 -6.053 1.00 3.41 C ATOM 388 O LYS A 25 -4.248 -6.768 -6.453 1.00 10.02 O ATOM 389 CB LYS A 25 -1.047 -7.411 -7.480 1.00 13.51 C ATOM 390 CG LYS A 25 -1.142 -7.091 -8.964 1.00 32.22 C ATOM 391 CD LYS A 25 -0.291 -8.122 -9.706 1.00 2.31 C ATOM 392 CE LYS A 25 -0.246 -7.838 -11.194 1.00 2.51 C ATOM 393 NZ LYS A 25 0.670 -8.774 -11.869 1.00 33.24 N ATOM 0 H LYS A 25 -0.088 -6.285 -5.606 1.00 43.12 H new ATOM 0 HA LYS A 25 -2.240 -5.646 -7.250 1.00 64.50 H new ATOM 0 HB2 LYS A 25 -0.005 -7.351 -7.165 1.00 13.51 H new ATOM 0 HB3 LYS A 25 -1.372 -8.438 -7.312 1.00 13.51 H new ATOM 0 HG2 LYS A 25 -2.178 -7.133 -9.301 1.00 32.22 H new ATOM 0 HG3 LYS A 25 -0.783 -6.081 -9.163 1.00 32.22 H new ATOM 0 HD2 LYS A 25 0.722 -8.117 -9.303 1.00 2.31 H new ATOM 0 HD3 LYS A 25 -0.697 -9.119 -9.537 1.00 2.31 H new ATOM 0 HE2 LYS A 25 -1.246 -7.929 -11.618 1.00 2.51 H new ATOM 0 HE3 LYS A 25 0.081 -6.812 -11.365 1.00 2.51 H new ATOM 0 HZ1 LYS A 25 0.690 -8.566 -12.888 1.00 33.24 H new ATOM 0 HZ2 LYS A 25 1.627 -8.668 -11.475 1.00 33.24 H new ATOM 0 HZ3 LYS A 25 0.341 -9.749 -11.721 1.00 33.24 H new ATOM 407 N ASN A 26 -2.977 -8.003 -5.058 1.00 74.32 N ATOM 408 CA ASN A 26 -4.081 -8.702 -4.402 1.00 73.43 C ATOM 409 C ASN A 26 -5.091 -7.725 -3.790 1.00 51.44 C ATOM 410 O ASN A 26 -6.291 -7.997 -3.794 1.00 64.24 O ATOM 411 CB ASN A 26 -3.561 -9.538 -3.229 1.00 32.13 C ATOM 412 CG ASN A 26 -2.794 -10.798 -3.580 1.00 71.23 C ATOM 413 OD1 ASN A 26 -3.162 -11.573 -4.459 1.00 33.45 O ATOM 414 ND2 ASN A 26 -1.767 -11.094 -2.804 1.00 72.13 N ATOM 0 H ASN A 26 -2.061 -8.249 -4.683 1.00 74.32 H new ATOM 0 HA ASN A 26 -4.549 -9.314 -5.172 1.00 73.43 H new ATOM 0 HB2 ASN A 26 -2.916 -8.905 -2.619 1.00 32.13 H new ATOM 0 HB3 ASN A 26 -4.411 -9.819 -2.608 1.00 32.13 H new ATOM 0 HD21 ASN A 26 -1.269 -11.975 -2.931 1.00 72.13 H new ATOM 0 HD22 ASN A 26 -1.472 -10.441 -2.078 1.00 72.13 H new ATOM 421 N SER A 27 -4.606 -6.635 -3.185 1.00 21.40 N ATOM 422 CA SER A 27 -5.421 -5.608 -2.543 1.00 71.32 C ATOM 423 C SER A 27 -5.989 -4.585 -3.544 1.00 4.01 C ATOM 424 O SER A 27 -6.870 -3.821 -3.183 1.00 54.11 O ATOM 425 CB SER A 27 -4.630 -4.966 -1.395 1.00 64.42 C ATOM 426 OG SER A 27 -3.274 -4.742 -1.734 1.00 21.52 O ATOM 0 H SER A 27 -3.606 -6.441 -3.129 1.00 21.40 H new ATOM 0 HA SER A 27 -6.304 -6.083 -2.115 1.00 71.32 H new ATOM 0 HB2 SER A 27 -5.095 -4.019 -1.122 1.00 64.42 H new ATOM 0 HB3 SER A 27 -4.681 -5.610 -0.517 1.00 64.42 H new ATOM 0 HG SER A 27 -3.189 -4.660 -2.707 1.00 21.52 H new ATOM 432 N SER A 28 -5.539 -4.581 -4.797 1.00 2.31 N ATOM 433 CA SER A 28 -6.017 -3.686 -5.863 1.00 33.11 C ATOM 434 C SER A 28 -6.090 -2.183 -5.474 1.00 40.33 C ATOM 435 O SER A 28 -7.185 -1.606 -5.402 1.00 70.13 O ATOM 436 CB SER A 28 -7.370 -4.190 -6.427 1.00 74.24 C ATOM 437 OG SER A 28 -7.649 -5.567 -6.196 1.00 24.13 O ATOM 0 H SER A 28 -4.809 -5.218 -5.114 1.00 2.31 H new ATOM 0 HA SER A 28 -5.257 -3.729 -6.643 1.00 33.11 H new ATOM 0 HB2 SER A 28 -8.172 -3.595 -5.989 1.00 74.24 H new ATOM 0 HB3 SER A 28 -7.388 -4.008 -7.501 1.00 74.24 H new ATOM 0 HG SER A 28 -7.916 -5.992 -7.037 1.00 24.13 H new ATOM 443 N PRO A 29 -4.948 -1.521 -5.210 1.00 25.45 N ATOM 444 CA PRO A 29 -4.919 -0.103 -4.864 1.00 61.34 C ATOM 445 C PRO A 29 -5.405 0.710 -6.065 1.00 14.22 C ATOM 446 O PRO A 29 -5.284 0.287 -7.218 1.00 55.15 O ATOM 447 CB PRO A 29 -3.464 0.208 -4.514 1.00 24.50 C ATOM 448 CG PRO A 29 -2.696 -0.827 -5.335 1.00 43.33 C ATOM 449 CD PRO A 29 -3.598 -2.051 -5.252 1.00 1.14 C ATOM 0 HA PRO A 29 -5.569 0.147 -4.025 1.00 61.34 H new ATOM 0 HB2 PRO A 29 -3.190 1.227 -4.788 1.00 24.50 H new ATOM 0 HB3 PRO A 29 -3.272 0.102 -3.446 1.00 24.50 H new ATOM 0 HG2 PRO A 29 -2.549 -0.500 -6.365 1.00 43.33 H new ATOM 0 HG3 PRO A 29 -1.708 -1.023 -4.919 1.00 43.33 H new ATOM 0 HD2 PRO A 29 -3.457 -2.704 -6.113 1.00 1.14 H new ATOM 0 HD3 PRO A 29 -3.379 -2.643 -4.364 1.00 1.14 H new ATOM 457 N ASP A 30 -5.985 1.876 -5.806 1.00 23.11 N ATOM 458 CA ASP A 30 -6.505 2.762 -6.824 1.00 32.51 C ATOM 459 C ASP A 30 -5.378 3.646 -7.295 1.00 62.14 C ATOM 460 O ASP A 30 -5.130 3.761 -8.497 1.00 63.30 O ATOM 461 CB ASP A 30 -7.640 3.642 -6.303 1.00 14.14 C ATOM 462 CG ASP A 30 -8.179 4.427 -7.494 1.00 3.24 C ATOM 463 OD1 ASP A 30 -8.802 3.801 -8.380 1.00 62.33 O ATOM 464 OD2 ASP A 30 -7.898 5.641 -7.601 1.00 61.15 O ATOM 0 H ASP A 30 -6.106 2.234 -4.859 1.00 23.11 H new ATOM 0 HA ASP A 30 -6.908 2.154 -7.634 1.00 32.51 H new ATOM 0 HB2 ASP A 30 -8.425 3.033 -5.855 1.00 14.14 H new ATOM 0 HB3 ASP A 30 -7.279 4.318 -5.527 1.00 14.14 H new ATOM 469 N GLN A 31 -4.663 4.226 -6.335 1.00 3.41 N ATOM 470 CA GLN A 31 -3.543 5.107 -6.584 1.00 24.25 C ATOM 471 C GLN A 31 -2.331 4.558 -5.845 1.00 32.13 C ATOM 472 O GLN A 31 -2.487 3.821 -4.873 1.00 15.04 O ATOM 473 CB GLN A 31 -3.912 6.544 -6.173 1.00 32.12 C ATOM 474 CG GLN A 31 -3.522 7.652 -7.139 1.00 72.00 C ATOM 475 CD GLN A 31 -2.028 7.738 -7.278 1.00 55.24 C ATOM 476 OE1 GLN A 31 -1.328 8.276 -6.430 1.00 43.20 O ATOM 477 NE2 GLN A 31 -1.486 7.132 -8.308 1.00 42.23 N ATOM 0 H GLN A 31 -4.856 4.089 -5.343 1.00 3.41 H new ATOM 0 HA GLN A 31 -3.293 5.149 -7.644 1.00 24.25 H new ATOM 0 HB2 GLN A 31 -4.991 6.588 -6.022 1.00 32.12 H new ATOM 0 HB3 GLN A 31 -3.446 6.753 -5.210 1.00 32.12 H new ATOM 0 HG2 GLN A 31 -3.972 7.466 -8.114 1.00 72.00 H new ATOM 0 HG3 GLN A 31 -3.914 8.605 -6.784 1.00 72.00 H new ATOM 0 HE21 GLN A 31 -2.079 6.687 -9.008 1.00 42.23 H new ATOM 0 HE22 GLN A 31 -0.471 7.106 -8.408 1.00 42.23 H new ATOM 486 N ILE A 32 -1.134 4.868 -6.336 1.00 71.21 N ATOM 487 CA ILE A 32 0.133 4.435 -5.777 1.00 4.33 C ATOM 488 C ILE A 32 1.117 5.571 -6.011 1.00 24.22 C ATOM 489 O ILE A 32 1.389 5.917 -7.168 1.00 22.25 O ATOM 490 CB ILE A 32 0.660 3.153 -6.473 1.00 31.44 C ATOM 491 CG1 ILE A 32 -0.327 1.970 -6.398 1.00 3.23 C ATOM 492 CG2 ILE A 32 2.011 2.736 -5.853 1.00 12.12 C ATOM 493 CD1 ILE A 32 0.027 0.840 -7.367 1.00 2.45 C ATOM 0 H ILE A 32 -1.021 5.450 -7.166 1.00 71.21 H new ATOM 0 HA ILE A 32 0.011 4.201 -4.719 1.00 4.33 H new ATOM 0 HB ILE A 32 0.783 3.400 -7.528 1.00 31.44 H new ATOM 0 HG12 ILE A 32 -0.342 1.579 -5.381 1.00 3.23 H new ATOM 0 HG13 ILE A 32 -1.333 2.328 -6.616 1.00 3.23 H new ATOM 0 HG21 ILE A 32 2.375 1.835 -6.347 1.00 12.12 H new ATOM 0 HG22 ILE A 32 2.735 3.540 -5.985 1.00 12.12 H new ATOM 0 HG23 ILE A 32 1.878 2.538 -4.789 1.00 12.12 H new ATOM 0 HD11 ILE A 32 -0.702 0.035 -7.270 1.00 2.45 H new ATOM 0 HD12 ILE A 32 0.014 1.220 -8.389 1.00 2.45 H new ATOM 0 HD13 ILE A 32 1.021 0.459 -7.134 1.00 2.45 H new ATOM 505 N ARG A 33 1.675 6.123 -4.939 1.00 1.22 N ATOM 506 CA ARG A 33 2.657 7.185 -5.014 1.00 33.53 C ATOM 507 C ARG A 33 3.826 6.759 -4.153 1.00 55.21 C ATOM 508 O ARG A 33 3.673 6.738 -2.934 1.00 50.24 O ATOM 509 CB ARG A 33 2.070 8.534 -4.574 1.00 21.03 C ATOM 510 CG ARG A 33 2.638 9.679 -5.425 1.00 4.23 C ATOM 511 CD ARG A 33 4.175 9.820 -5.422 1.00 73.23 C ATOM 512 NE ARG A 33 4.606 10.816 -6.408 1.00 55.31 N ATOM 513 CZ ARG A 33 5.646 10.754 -7.246 1.00 74.34 C ATOM 514 NH1 ARG A 33 6.606 9.841 -7.104 1.00 42.44 N ATOM 515 NH2 ARG A 33 5.707 11.619 -8.250 1.00 45.03 N ATOM 0 H ARG A 33 1.452 5.838 -3.985 1.00 1.22 H new ATOM 0 HA ARG A 33 2.983 7.339 -6.043 1.00 33.53 H new ATOM 0 HB2 ARG A 33 0.984 8.511 -4.666 1.00 21.03 H new ATOM 0 HB3 ARG A 33 2.297 8.709 -3.522 1.00 21.03 H new ATOM 0 HG2 ARG A 33 2.307 9.540 -6.454 1.00 4.23 H new ATOM 0 HG3 ARG A 33 2.205 10.616 -5.074 1.00 4.23 H new ATOM 0 HD2 ARG A 33 4.516 10.113 -4.429 1.00 73.23 H new ATOM 0 HD3 ARG A 33 4.634 8.857 -5.646 1.00 73.23 H new ATOM 0 HE ARG A 33 4.041 11.663 -6.461 1.00 55.31 H new ATOM 0 HH11 ARG A 33 6.559 9.166 -6.341 1.00 42.44 H new ATOM 0 HH12 ARG A 33 7.388 9.817 -7.758 1.00 42.44 H new ATOM 0 HH21 ARG A 33 4.970 12.313 -8.371 1.00 45.03 H new ATOM 0 HH22 ARG A 33 6.491 11.590 -8.901 1.00 45.03 H new ATOM 529 N LEU A 34 4.953 6.399 -4.758 1.00 23.13 N ATOM 530 CA LEU A 34 6.175 5.997 -4.074 1.00 14.54 C ATOM 531 C LEU A 34 7.037 7.254 -3.936 1.00 32.02 C ATOM 532 O LEU A 34 7.307 7.918 -4.943 1.00 65.50 O ATOM 533 CB LEU A 34 6.878 4.883 -4.895 1.00 32.43 C ATOM 534 CG LEU A 34 8.226 4.308 -4.372 1.00 14.31 C ATOM 535 CD1 LEU A 34 9.398 5.167 -4.869 1.00 63.34 C ATOM 536 CD2 LEU A 34 8.262 4.200 -2.845 1.00 41.12 C ATOM 0 H LEU A 34 5.043 6.379 -5.774 1.00 23.13 H new ATOM 0 HA LEU A 34 5.982 5.583 -3.084 1.00 14.54 H new ATOM 0 HB2 LEU A 34 6.179 4.052 -4.991 1.00 32.43 H new ATOM 0 HB3 LEU A 34 7.051 5.271 -5.899 1.00 32.43 H new ATOM 0 HG LEU A 34 8.320 3.297 -4.769 1.00 14.31 H new ATOM 0 HD11 LEU A 34 10.335 4.754 -4.496 1.00 63.34 H new ATOM 0 HD12 LEU A 34 9.411 5.170 -5.959 1.00 63.34 H new ATOM 0 HD13 LEU A 34 9.281 6.188 -4.505 1.00 63.34 H new ATOM 0 HD21 LEU A 34 9.224 3.793 -2.532 1.00 41.12 H new ATOM 0 HD22 LEU A 34 8.126 5.189 -2.407 1.00 41.12 H new ATOM 0 HD23 LEU A 34 7.462 3.541 -2.508 1.00 41.12 H new ATOM 548 N ARG A 35 7.468 7.584 -2.715 1.00 1.32 N ATOM 549 CA ARG A 35 8.332 8.716 -2.392 1.00 41.24 C ATOM 550 C ARG A 35 9.595 8.105 -1.796 1.00 72.52 C ATOM 551 O ARG A 35 9.687 7.878 -0.584 1.00 74.11 O ATOM 552 CB ARG A 35 7.644 9.702 -1.434 1.00 54.24 C ATOM 553 CG ARG A 35 6.995 10.905 -2.132 1.00 61.43 C ATOM 554 CD ARG A 35 7.989 12.056 -2.128 1.00 4.11 C ATOM 555 NE ARG A 35 7.482 13.228 -2.843 1.00 1.40 N ATOM 556 CZ ARG A 35 8.185 14.322 -3.152 1.00 22.34 C ATOM 557 NH1 ARG A 35 9.509 14.357 -3.017 1.00 42.45 N ATOM 558 NH2 ARG A 35 7.541 15.394 -3.587 1.00 32.12 N ATOM 0 H ARG A 35 7.211 7.043 -1.890 1.00 1.32 H new ATOM 0 HA ARG A 35 8.567 9.311 -3.275 1.00 41.24 H new ATOM 0 HB2 ARG A 35 6.880 9.169 -0.868 1.00 54.24 H new ATOM 0 HB3 ARG A 35 8.378 10.065 -0.715 1.00 54.24 H new ATOM 0 HG2 ARG A 35 6.718 10.646 -3.154 1.00 61.43 H new ATOM 0 HG3 ARG A 35 6.079 11.193 -1.617 1.00 61.43 H new ATOM 0 HD2 ARG A 35 8.218 12.332 -1.099 1.00 4.11 H new ATOM 0 HD3 ARG A 35 8.922 11.729 -2.586 1.00 4.11 H new ATOM 0 HE ARG A 35 6.504 13.208 -3.132 1.00 1.40 H new ATOM 0 HH11 ARG A 35 10.008 13.537 -2.671 1.00 42.45 H new ATOM 0 HH12 ARG A 35 10.024 15.203 -3.259 1.00 42.45 H new ATOM 0 HH21 ARG A 35 6.526 15.376 -3.681 1.00 32.12 H new ATOM 0 HH22 ARG A 35 8.060 16.238 -3.828 1.00 32.12 H new ATOM 572 N ALA A 36 10.573 7.800 -2.652 1.00 2.42 N ATOM 573 CA ALA A 36 11.842 7.218 -2.219 1.00 11.33 C ATOM 574 C ALA A 36 12.599 8.162 -1.283 1.00 13.50 C ATOM 575 O ALA A 36 13.445 7.698 -0.520 1.00 12.55 O ATOM 576 CB ALA A 36 12.727 6.903 -3.418 1.00 32.44 C ATOM 0 H ALA A 36 10.507 7.949 -3.659 1.00 2.42 H new ATOM 0 HA ALA A 36 11.606 6.299 -1.683 1.00 11.33 H new ATOM 0 HB1 ALA A 36 13.666 6.471 -3.073 1.00 32.44 H new ATOM 0 HB2 ALA A 36 12.218 6.192 -4.069 1.00 32.44 H new ATOM 0 HB3 ALA A 36 12.931 7.820 -3.971 1.00 32.44 H new ATOM 582 N ASP A 37 12.208 9.442 -1.267 1.00 2.25 N ATOM 583 CA ASP A 37 12.769 10.526 -0.470 1.00 52.12 C ATOM 584 C ASP A 37 12.868 10.131 0.997 1.00 21.00 C ATOM 585 O ASP A 37 13.861 10.433 1.660 1.00 41.22 O ATOM 586 CB ASP A 37 11.854 11.749 -0.569 1.00 23.53 C ATOM 587 CG ASP A 37 11.949 12.474 -1.901 1.00 73.41 C ATOM 588 OD1 ASP A 37 11.266 12.046 -2.864 1.00 75.23 O ATOM 589 OD2 ASP A 37 12.679 13.484 -1.972 1.00 43.34 O ATOM 0 H ASP A 37 11.438 9.764 -1.853 1.00 2.25 H new ATOM 0 HA ASP A 37 13.765 10.748 -0.852 1.00 52.12 H new ATOM 0 HB2 ASP A 37 10.823 11.435 -0.409 1.00 23.53 H new ATOM 0 HB3 ASP A 37 12.103 12.445 0.232 1.00 23.53 H new ATOM 594 N LYS A 38 11.846 9.435 1.492 1.00 12.13 N ATOM 595 CA LYS A 38 11.736 8.935 2.852 1.00 23.25 C ATOM 596 C LYS A 38 11.440 7.433 2.840 1.00 64.35 C ATOM 597 O LYS A 38 11.201 6.865 3.901 1.00 13.33 O ATOM 598 CB LYS A 38 10.687 9.773 3.614 1.00 2.44 C ATOM 599 CG LYS A 38 11.331 10.852 4.486 1.00 54.00 C ATOM 600 CD LYS A 38 11.821 10.228 5.798 1.00 12.33 C ATOM 601 CE LYS A 38 12.617 11.232 6.630 1.00 63.22 C ATOM 602 NZ LYS A 38 13.155 10.620 7.861 1.00 24.23 N ATOM 0 H LYS A 38 11.034 9.195 0.923 1.00 12.13 H new ATOM 0 HA LYS A 38 12.680 9.047 3.385 1.00 23.25 H new ATOM 0 HB2 LYS A 38 10.011 10.242 2.899 1.00 2.44 H new ATOM 0 HB3 LYS A 38 10.084 9.115 4.240 1.00 2.44 H new ATOM 0 HG2 LYS A 38 12.165 11.312 3.956 1.00 54.00 H new ATOM 0 HG3 LYS A 38 10.611 11.643 4.694 1.00 54.00 H new ATOM 0 HD2 LYS A 38 10.967 9.872 6.374 1.00 12.33 H new ATOM 0 HD3 LYS A 38 12.443 9.360 5.580 1.00 12.33 H new ATOM 0 HE2 LYS A 38 13.438 11.629 6.033 1.00 63.22 H new ATOM 0 HE3 LYS A 38 11.977 12.075 6.893 1.00 63.22 H new ATOM 0 HZ1 LYS A 38 13.689 11.333 8.398 1.00 24.23 H new ATOM 0 HZ2 LYS A 38 12.370 10.264 8.443 1.00 24.23 H new ATOM 0 HZ3 LYS A 38 13.786 9.832 7.610 1.00 24.23 H new ATOM 616 N GLY A 39 11.457 6.778 1.673 1.00 31.22 N ATOM 617 CA GLY A 39 11.186 5.355 1.550 1.00 52.21 C ATOM 618 C GLY A 39 9.770 5.046 2.008 1.00 32.42 C ATOM 619 O GLY A 39 9.569 4.061 2.708 1.00 54.52 O ATOM 0 H GLY A 39 11.662 7.232 0.783 1.00 31.22 H new ATOM 0 HA2 GLY A 39 11.317 5.041 0.514 1.00 52.21 H new ATOM 0 HA3 GLY A 39 11.900 4.789 2.148 1.00 52.21 H new ATOM 623 N ILE A 40 8.794 5.867 1.632 1.00 61.12 N ATOM 624 CA ILE A 40 7.393 5.716 1.997 1.00 70.24 C ATOM 625 C ILE A 40 6.539 5.756 0.743 1.00 40.42 C ATOM 626 O ILE A 40 6.985 6.207 -0.316 1.00 20.42 O ATOM 627 CB ILE A 40 6.944 6.770 3.054 1.00 52.01 C ATOM 628 CG1 ILE A 40 7.725 8.092 3.014 1.00 0.30 C ATOM 629 CG2 ILE A 40 7.135 6.223 4.479 1.00 53.31 C ATOM 630 CD1 ILE A 40 7.459 8.987 1.822 1.00 23.44 C ATOM 0 H ILE A 40 8.965 6.683 1.045 1.00 61.12 H new ATOM 0 HA ILE A 40 7.259 4.746 2.477 1.00 70.24 H new ATOM 0 HB ILE A 40 5.901 6.964 2.802 1.00 52.01 H new ATOM 0 HG12 ILE A 40 7.498 8.652 3.921 1.00 0.30 H new ATOM 0 HG13 ILE A 40 8.790 7.862 3.040 1.00 0.30 H new ATOM 0 HG21 ILE A 40 6.816 6.973 5.203 1.00 53.31 H new ATOM 0 HG22 ILE A 40 6.538 5.320 4.605 1.00 53.31 H new ATOM 0 HG23 ILE A 40 8.187 5.988 4.640 1.00 53.31 H new ATOM 0 HD11 ILE A 40 8.065 9.889 1.902 1.00 23.44 H new ATOM 0 HD12 ILE A 40 7.716 8.457 0.905 1.00 23.44 H new ATOM 0 HD13 ILE A 40 6.404 9.260 1.800 1.00 23.44 H new ATOM 642 N ALA A 41 5.308 5.280 0.849 1.00 55.20 N ATOM 643 CA ALA A 41 4.348 5.260 -0.236 1.00 23.32 C ATOM 644 C ALA A 41 2.949 5.505 0.317 1.00 54.21 C ATOM 645 O ALA A 41 2.671 5.206 1.484 1.00 64.30 O ATOM 646 CB ALA A 41 4.411 3.930 -0.996 1.00 60.52 C ATOM 0 H ALA A 41 4.943 4.887 1.717 1.00 55.20 H new ATOM 0 HA ALA A 41 4.593 6.054 -0.942 1.00 23.32 H new ATOM 0 HB1 ALA A 41 3.681 3.939 -1.806 1.00 60.52 H new ATOM 0 HB2 ALA A 41 5.410 3.794 -1.410 1.00 60.52 H new ATOM 0 HB3 ALA A 41 4.186 3.110 -0.314 1.00 60.52 H new ATOM 652 N PHE A 42 2.084 6.072 -0.522 1.00 72.43 N ATOM 653 CA PHE A 42 0.684 6.337 -0.210 1.00 52.13 C ATOM 654 C PHE A 42 -0.080 5.548 -1.257 1.00 74.13 C ATOM 655 O PHE A 42 0.293 5.576 -2.437 1.00 1.50 O ATOM 656 CB PHE A 42 0.273 7.818 -0.294 1.00 11.12 C ATOM 657 CG PHE A 42 0.953 8.757 0.681 1.00 72.14 C ATOM 658 CD1 PHE A 42 2.148 9.395 0.315 1.00 24.41 C ATOM 659 CD2 PHE A 42 0.390 9.010 1.944 1.00 20.51 C ATOM 660 CE1 PHE A 42 2.819 10.243 1.213 1.00 44.43 C ATOM 661 CE2 PHE A 42 1.035 9.887 2.833 1.00 10.31 C ATOM 662 CZ PHE A 42 2.249 10.497 2.471 1.00 0.35 C ATOM 0 H PHE A 42 2.346 6.367 -1.462 1.00 72.43 H new ATOM 0 HA PHE A 42 0.480 6.056 0.823 1.00 52.13 H new ATOM 0 HB2 PHE A 42 0.472 8.172 -1.306 1.00 11.12 H new ATOM 0 HB3 PHE A 42 -0.804 7.884 -0.139 1.00 11.12 H new ATOM 0 HD1 PHE A 42 2.558 9.232 -0.671 1.00 24.41 H new ATOM 0 HD2 PHE A 42 -0.535 8.532 2.230 1.00 20.51 H new ATOM 0 HE1 PHE A 42 3.761 10.694 0.939 1.00 44.43 H new ATOM 0 HE2 PHE A 42 0.596 10.093 3.798 1.00 10.31 H new ATOM 0 HZ PHE A 42 2.744 11.163 3.162 1.00 0.35 H new ATOM 672 N LEU A 43 -1.121 4.841 -0.831 1.00 3.30 N ATOM 673 CA LEU A 43 -1.960 4.038 -1.697 1.00 34.11 C ATOM 674 C LEU A 43 -3.393 4.385 -1.337 1.00 43.30 C ATOM 675 O LEU A 43 -3.727 4.337 -0.154 1.00 25.30 O ATOM 676 CB LEU A 43 -1.691 2.537 -1.518 1.00 43.43 C ATOM 677 CG LEU A 43 -0.280 2.083 -1.939 1.00 12.33 C ATOM 678 CD1 LEU A 43 0.724 2.137 -0.781 1.00 23.42 C ATOM 679 CD2 LEU A 43 -0.325 0.634 -2.427 1.00 50.33 C ATOM 0 H LEU A 43 -1.407 4.813 0.148 1.00 3.30 H new ATOM 0 HA LEU A 43 -1.751 4.252 -2.745 1.00 34.11 H new ATOM 0 HB2 LEU A 43 -1.845 2.276 -0.471 1.00 43.43 H new ATOM 0 HB3 LEU A 43 -2.426 1.978 -2.097 1.00 43.43 H new ATOM 0 HG LEU A 43 0.042 2.767 -2.725 1.00 12.33 H new ATOM 0 HD11 LEU A 43 1.702 1.807 -1.132 1.00 23.42 H new ATOM 0 HD12 LEU A 43 0.797 3.159 -0.410 1.00 23.42 H new ATOM 0 HD13 LEU A 43 0.387 1.483 0.023 1.00 23.42 H new ATOM 0 HD21 LEU A 43 0.675 0.319 -2.723 1.00 50.33 H new ATOM 0 HD22 LEU A 43 -0.685 -0.009 -1.624 1.00 50.33 H new ATOM 0 HD23 LEU A 43 -0.997 0.559 -3.282 1.00 50.33 H new ATOM 691 N GLU A 44 -4.183 4.836 -2.309 1.00 52.35 N ATOM 692 CA GLU A 44 -5.582 5.203 -2.111 1.00 71.51 C ATOM 693 C GLU A 44 -6.425 4.000 -2.517 1.00 15.24 C ATOM 694 O GLU A 44 -6.043 3.278 -3.439 1.00 51.35 O ATOM 695 CB GLU A 44 -5.970 6.359 -3.040 1.00 55.03 C ATOM 696 CG GLU A 44 -5.260 7.687 -2.749 1.00 53.10 C ATOM 697 CD GLU A 44 -5.462 8.699 -3.882 1.00 41.52 C ATOM 698 OE1 GLU A 44 -6.506 8.658 -4.572 1.00 65.54 O ATOM 699 OE2 GLU A 44 -4.565 9.547 -4.078 1.00 10.41 O ATOM 0 H GLU A 44 -3.864 4.958 -3.270 1.00 52.35 H new ATOM 0 HA GLU A 44 -5.739 5.498 -1.073 1.00 71.51 H new ATOM 0 HB2 GLU A 44 -5.756 6.067 -4.068 1.00 55.03 H new ATOM 0 HB3 GLU A 44 -7.046 6.516 -2.970 1.00 55.03 H new ATOM 0 HG2 GLU A 44 -5.638 8.105 -1.816 1.00 53.10 H new ATOM 0 HG3 GLU A 44 -4.194 7.506 -2.608 1.00 53.10 H new ATOM 706 N PHE A 45 -7.598 3.831 -1.913 1.00 43.43 N ATOM 707 CA PHE A 45 -8.516 2.741 -2.196 1.00 64.01 C ATOM 708 C PHE A 45 -9.932 3.308 -2.129 1.00 13.52 C ATOM 709 O PHE A 45 -10.380 3.743 -1.068 1.00 54.05 O ATOM 710 CB PHE A 45 -8.336 1.618 -1.166 1.00 1.44 C ATOM 711 CG PHE A 45 -6.994 0.907 -1.160 1.00 44.11 C ATOM 712 CD1 PHE A 45 -5.858 1.514 -0.587 1.00 35.12 C ATOM 713 CD2 PHE A 45 -6.908 -0.429 -1.592 1.00 54.22 C ATOM 714 CE1 PHE A 45 -4.651 0.802 -0.476 1.00 75.12 C ATOM 715 CE2 PHE A 45 -5.716 -1.150 -1.425 1.00 44.54 C ATOM 716 CZ PHE A 45 -4.573 -0.536 -0.891 1.00 12.11 C ATOM 0 H PHE A 45 -7.942 4.468 -1.194 1.00 43.43 H new ATOM 0 HA PHE A 45 -8.323 2.319 -3.182 1.00 64.01 H new ATOM 0 HB2 PHE A 45 -8.504 2.036 -0.174 1.00 1.44 H new ATOM 0 HB3 PHE A 45 -9.115 0.874 -1.334 1.00 1.44 H new ATOM 0 HD1 PHE A 45 -5.915 2.532 -0.231 1.00 35.12 H new ATOM 0 HD2 PHE A 45 -7.762 -0.901 -2.054 1.00 54.22 H new ATOM 0 HE1 PHE A 45 -3.777 1.289 -0.068 1.00 75.12 H new ATOM 0 HE2 PHE A 45 -5.678 -2.191 -1.711 1.00 44.54 H new ATOM 0 HZ PHE A 45 -3.647 -1.085 -0.801 1.00 12.11 H new ATOM 726 N ASP A 46 -10.609 3.400 -3.272 1.00 14.13 N ATOM 727 CA ASP A 46 -11.979 3.910 -3.365 1.00 62.42 C ATOM 728 C ASP A 46 -12.953 2.838 -2.868 1.00 50.32 C ATOM 729 O ASP A 46 -12.973 1.728 -3.410 1.00 53.33 O ATOM 730 CB ASP A 46 -12.308 4.344 -4.797 1.00 51.21 C ATOM 731 CG ASP A 46 -13.752 4.833 -4.928 1.00 22.41 C ATOM 732 OD1 ASP A 46 -14.411 5.108 -3.904 1.00 11.00 O ATOM 733 OD2 ASP A 46 -14.225 4.923 -6.080 1.00 53.21 O ATOM 0 H ASP A 46 -10.218 3.120 -4.172 1.00 14.13 H new ATOM 0 HA ASP A 46 -12.077 4.793 -2.734 1.00 62.42 H new ATOM 0 HB2 ASP A 46 -11.627 5.139 -5.101 1.00 51.21 H new ATOM 0 HB3 ASP A 46 -12.145 3.507 -5.476 1.00 51.21 H new ATOM 738 N ALA A 47 -13.684 3.161 -1.799 1.00 75.54 N ATOM 739 CA ALA A 47 -14.689 2.354 -1.123 1.00 43.15 C ATOM 740 C ALA A 47 -16.027 2.373 -1.845 1.00 31.33 C ATOM 741 O ALA A 47 -16.893 1.553 -1.525 1.00 61.45 O ATOM 742 CB ALA A 47 -14.887 2.860 0.301 1.00 11.30 C ATOM 0 H ALA A 47 -13.575 4.071 -1.351 1.00 75.54 H new ATOM 0 HA ALA A 47 -14.324 1.327 -1.117 1.00 43.15 H new ATOM 0 HB1 ALA A 47 -15.640 2.252 0.802 1.00 11.30 H new ATOM 0 HB2 ALA A 47 -13.945 2.792 0.846 1.00 11.30 H new ATOM 0 HB3 ALA A 47 -15.217 3.898 0.276 1.00 11.30 H new ATOM 748 N ASP A 48 -16.266 3.352 -2.716 1.00 53.41 N ATOM 749 CA ASP A 48 -17.509 3.389 -3.471 1.00 73.05 C ATOM 750 C ASP A 48 -17.367 2.358 -4.591 1.00 34.34 C ATOM 751 O ASP A 48 -18.350 1.726 -4.973 1.00 72.22 O ATOM 752 CB ASP A 48 -17.810 4.778 -4.040 1.00 41.23 C ATOM 753 CG ASP A 48 -19.251 4.840 -4.538 1.00 44.11 C ATOM 754 OD1 ASP A 48 -20.160 4.885 -3.678 1.00 34.41 O ATOM 755 OD2 ASP A 48 -19.508 4.785 -5.766 1.00 25.24 O ATOM 0 H ASP A 48 -15.623 4.119 -2.912 1.00 53.41 H new ATOM 0 HA ASP A 48 -18.349 3.157 -2.816 1.00 73.05 H new ATOM 0 HB2 ASP A 48 -17.649 5.536 -3.274 1.00 41.23 H new ATOM 0 HB3 ASP A 48 -17.125 5.001 -4.858 1.00 41.23 H new ATOM 760 N LYS A 49 -16.135 2.126 -5.076 1.00 11.15 N ATOM 761 CA LYS A 49 -15.828 1.180 -6.131 1.00 61.31 C ATOM 762 C LYS A 49 -16.186 -0.252 -5.748 1.00 4.51 C ATOM 763 O LYS A 49 -16.633 -0.995 -6.621 1.00 15.22 O ATOM 764 CB LYS A 49 -14.330 1.283 -6.460 1.00 62.32 C ATOM 765 CG LYS A 49 -14.047 0.663 -7.825 1.00 53.25 C ATOM 766 CD LYS A 49 -12.639 0.993 -8.339 1.00 13.14 C ATOM 767 CE LYS A 49 -12.427 0.390 -9.732 1.00 14.12 C ATOM 768 NZ LYS A 49 -11.244 0.956 -10.411 1.00 25.01 N ATOM 0 H LYS A 49 -15.310 2.613 -4.726 1.00 11.15 H new ATOM 0 HA LYS A 49 -16.431 1.431 -7.004 1.00 61.31 H new ATOM 0 HB2 LYS A 49 -14.020 2.328 -6.456 1.00 62.32 H new ATOM 0 HB3 LYS A 49 -13.746 0.774 -5.693 1.00 62.32 H new ATOM 0 HG2 LYS A 49 -14.162 -0.419 -7.760 1.00 53.25 H new ATOM 0 HG3 LYS A 49 -14.785 1.020 -8.543 1.00 53.25 H new ATOM 0 HD2 LYS A 49 -12.503 2.074 -8.378 1.00 13.14 H new ATOM 0 HD3 LYS A 49 -11.891 0.602 -7.648 1.00 13.14 H new ATOM 0 HE2 LYS A 49 -12.311 -0.690 -9.645 1.00 14.12 H new ATOM 0 HE3 LYS A 49 -13.313 0.567 -10.341 1.00 14.12 H new ATOM 0 HZ1 LYS A 49 -11.140 0.519 -11.349 1.00 25.01 H new ATOM 0 HZ2 LYS A 49 -11.364 1.983 -10.519 1.00 25.01 H new ATOM 0 HZ3 LYS A 49 -10.394 0.765 -9.844 1.00 25.01 H new ATOM 782 N ASP A 50 -15.991 -0.660 -4.494 1.00 51.21 N ATOM 783 CA ASP A 50 -16.296 -2.015 -4.040 1.00 50.41 C ATOM 784 C ASP A 50 -16.729 -1.960 -2.581 1.00 42.45 C ATOM 785 O ASP A 50 -15.903 -1.894 -1.667 1.00 33.30 O ATOM 786 CB ASP A 50 -15.090 -2.932 -4.257 1.00 30.32 C ATOM 787 CG ASP A 50 -15.451 -4.408 -4.120 1.00 63.12 C ATOM 788 OD1 ASP A 50 -16.414 -4.743 -3.392 1.00 62.44 O ATOM 789 OD2 ASP A 50 -14.730 -5.218 -4.746 1.00 52.34 O ATOM 0 H ASP A 50 -15.615 -0.057 -3.762 1.00 51.21 H new ATOM 0 HA ASP A 50 -17.116 -2.435 -4.622 1.00 50.41 H new ATOM 0 HB2 ASP A 50 -14.674 -2.753 -5.249 1.00 30.32 H new ATOM 0 HB3 ASP A 50 -14.312 -2.682 -3.535 1.00 30.32 H new ATOM 794 N ARG A 51 -18.045 -1.963 -2.369 1.00 12.41 N ATOM 795 CA ARG A 51 -18.686 -1.887 -1.063 1.00 51.52 C ATOM 796 C ARG A 51 -18.208 -2.879 -0.021 1.00 24.32 C ATOM 797 O ARG A 51 -18.262 -2.497 1.152 1.00 45.40 O ATOM 798 CB ARG A 51 -20.213 -2.039 -1.213 1.00 12.34 C ATOM 799 CG ARG A 51 -20.969 -0.772 -1.639 1.00 63.11 C ATOM 800 CD ARG A 51 -21.138 0.211 -0.470 1.00 4.03 C ATOM 801 NE ARG A 51 -19.923 1.005 -0.255 1.00 25.43 N ATOM 802 CZ ARG A 51 -19.510 1.553 0.888 1.00 31.10 C ATOM 803 NH1 ARG A 51 -20.224 1.476 2.004 1.00 13.13 N ATOM 804 NH2 ARG A 51 -18.319 2.133 0.907 1.00 42.44 N ATOM 0 H ARG A 51 -18.717 -2.021 -3.134 1.00 12.41 H new ATOM 0 HA ARG A 51 -18.399 -0.904 -0.689 1.00 51.52 H new ATOM 0 HB2 ARG A 51 -20.412 -2.822 -1.945 1.00 12.34 H new ATOM 0 HB3 ARG A 51 -20.621 -2.381 -0.262 1.00 12.34 H new ATOM 0 HG2 ARG A 51 -20.430 -0.283 -2.451 1.00 63.11 H new ATOM 0 HG3 ARG A 51 -21.950 -1.047 -2.028 1.00 63.11 H new ATOM 0 HD2 ARG A 51 -21.978 0.876 -0.671 1.00 4.03 H new ATOM 0 HD3 ARG A 51 -21.379 -0.341 0.439 1.00 4.03 H new ATOM 0 HE ARG A 51 -19.329 1.154 -1.070 1.00 25.43 H new ATOM 0 HH11 ARG A 51 -21.119 0.986 2.004 1.00 13.13 H new ATOM 0 HH12 ARG A 51 -19.878 1.907 2.861 1.00 13.13 H new ATOM 0 HH21 ARG A 51 -17.747 2.151 0.063 1.00 42.44 H new ATOM 0 HH22 ARG A 51 -17.974 2.562 1.766 1.00 42.44 H new ATOM 818 N THR A 52 -17.777 -4.088 -0.372 1.00 62.11 N ATOM 819 CA THR A 52 -17.310 -5.055 0.622 1.00 23.30 C ATOM 820 C THR A 52 -15.840 -5.430 0.387 1.00 41.30 C ATOM 821 O THR A 52 -15.128 -5.787 1.327 1.00 64.32 O ATOM 822 CB THR A 52 -18.292 -6.242 0.654 1.00 24.20 C ATOM 823 OG1 THR A 52 -18.343 -6.869 1.919 1.00 40.54 O ATOM 824 CG2 THR A 52 -17.950 -7.303 -0.380 1.00 53.04 C ATOM 0 H THR A 52 -17.741 -4.422 -1.335 1.00 62.11 H new ATOM 0 HA THR A 52 -17.311 -4.619 1.621 1.00 23.30 H new ATOM 0 HB THR A 52 -19.264 -5.805 0.425 1.00 24.20 H new ATOM 0 HG1 THR A 52 -18.980 -7.613 1.890 1.00 40.54 H new ATOM 0 HG21 THR A 52 -18.671 -8.118 -0.317 1.00 53.04 H new ATOM 0 HG22 THR A 52 -17.985 -6.864 -1.377 1.00 53.04 H new ATOM 0 HG23 THR A 52 -16.949 -7.689 -0.188 1.00 53.04 H new ATOM 832 N GLY A 53 -15.322 -5.217 -0.828 1.00 53.23 N ATOM 833 CA GLY A 53 -13.943 -5.535 -1.139 1.00 71.33 C ATOM 834 C GLY A 53 -12.999 -4.564 -0.458 1.00 20.10 C ATOM 835 O GLY A 53 -11.906 -4.967 -0.079 1.00 21.44 O ATOM 0 H GLY A 53 -15.848 -4.824 -1.608 1.00 53.23 H new ATOM 0 HA2 GLY A 53 -13.719 -6.552 -0.818 1.00 71.33 H new ATOM 0 HA3 GLY A 53 -13.792 -5.500 -2.218 1.00 71.33 H new ATOM 839 N ILE A 54 -13.418 -3.313 -0.247 1.00 23.00 N ATOM 840 CA ILE A 54 -12.610 -2.286 0.400 1.00 41.43 C ATOM 841 C ILE A 54 -11.999 -2.780 1.724 1.00 11.01 C ATOM 842 O ILE A 54 -10.824 -2.524 1.997 1.00 2.44 O ATOM 843 CB ILE A 54 -13.470 -1.010 0.578 1.00 43.03 C ATOM 844 CG1 ILE A 54 -12.632 0.153 1.150 1.00 21.11 C ATOM 845 CG2 ILE A 54 -14.702 -1.234 1.475 1.00 10.21 C ATOM 846 CD1 ILE A 54 -11.630 0.742 0.154 1.00 41.01 C ATOM 0 H ILE A 54 -14.342 -2.985 -0.527 1.00 23.00 H new ATOM 0 HA ILE A 54 -11.758 -2.045 -0.235 1.00 41.43 H new ATOM 0 HB ILE A 54 -13.825 -0.753 -0.420 1.00 43.03 H new ATOM 0 HG12 ILE A 54 -13.305 0.943 1.484 1.00 21.11 H new ATOM 0 HG13 ILE A 54 -12.092 -0.199 2.029 1.00 21.11 H new ATOM 0 HG21 ILE A 54 -15.264 -0.304 1.561 1.00 10.21 H new ATOM 0 HG22 ILE A 54 -15.338 -2.002 1.035 1.00 10.21 H new ATOM 0 HG23 ILE A 54 -14.378 -1.555 2.465 1.00 10.21 H new ATOM 0 HD11 ILE A 54 -11.079 1.554 0.629 1.00 41.01 H new ATOM 0 HD12 ILE A 54 -10.932 -0.034 -0.162 1.00 41.01 H new ATOM 0 HD13 ILE A 54 -12.164 1.126 -0.715 1.00 41.01 H new ATOM 858 N GLN A 55 -12.775 -3.505 2.532 1.00 1.42 N ATOM 859 CA GLN A 55 -12.329 -4.017 3.812 1.00 74.52 C ATOM 860 C GLN A 55 -11.270 -5.092 3.612 1.00 21.25 C ATOM 861 O GLN A 55 -10.125 -4.903 4.007 1.00 25.51 O ATOM 862 CB GLN A 55 -13.555 -4.518 4.586 1.00 62.05 C ATOM 863 CG GLN A 55 -13.284 -5.084 5.977 1.00 14.20 C ATOM 864 CD GLN A 55 -12.329 -4.221 6.797 1.00 65.03 C ATOM 865 OE1 GLN A 55 -12.722 -3.288 7.499 1.00 1.14 O ATOM 866 NE2 GLN A 55 -11.048 -4.518 6.714 1.00 64.41 N ATOM 0 H GLN A 55 -13.739 -3.751 2.306 1.00 1.42 H new ATOM 0 HA GLN A 55 -11.854 -3.232 4.401 1.00 74.52 H new ATOM 0 HB2 GLN A 55 -14.261 -3.693 4.683 1.00 62.05 H new ATOM 0 HB3 GLN A 55 -14.045 -5.289 3.991 1.00 62.05 H new ATOM 0 HG2 GLN A 55 -14.228 -5.182 6.513 1.00 14.20 H new ATOM 0 HG3 GLN A 55 -12.867 -6.086 5.880 1.00 14.20 H new ATOM 0 HE21 GLN A 55 -10.741 -5.294 6.128 1.00 64.41 H new ATOM 0 HE22 GLN A 55 -10.363 -3.972 7.236 1.00 64.41 H new ATOM 875 N ARG A 56 -11.611 -6.190 2.940 1.00 33.42 N ATOM 876 CA ARG A 56 -10.662 -7.283 2.706 1.00 73.23 C ATOM 877 C ARG A 56 -9.403 -6.784 2.001 1.00 73.23 C ATOM 878 O ARG A 56 -8.318 -7.302 2.239 1.00 5.42 O ATOM 879 CB ARG A 56 -11.355 -8.484 2.046 1.00 35.25 C ATOM 880 CG ARG A 56 -12.521 -8.911 2.959 1.00 74.34 C ATOM 881 CD ARG A 56 -12.941 -10.371 2.820 1.00 63.24 C ATOM 882 NE ARG A 56 -13.863 -10.701 3.917 1.00 22.34 N ATOM 883 CZ ARG A 56 -15.200 -10.757 3.878 1.00 13.23 C ATOM 884 NH1 ARG A 56 -15.869 -10.709 2.729 1.00 21.41 N ATOM 885 NH2 ARG A 56 -15.867 -10.854 5.023 1.00 75.32 N ATOM 0 H ARG A 56 -12.538 -6.349 2.546 1.00 33.42 H new ATOM 0 HA ARG A 56 -10.304 -7.662 3.663 1.00 73.23 H new ATOM 0 HB2 ARG A 56 -11.723 -8.217 1.055 1.00 35.25 H new ATOM 0 HB3 ARG A 56 -10.652 -9.306 1.914 1.00 35.25 H new ATOM 0 HG2 ARG A 56 -12.239 -8.726 3.995 1.00 74.34 H new ATOM 0 HG3 ARG A 56 -13.382 -8.278 2.745 1.00 74.34 H new ATOM 0 HD2 ARG A 56 -13.425 -10.535 1.857 1.00 63.24 H new ATOM 0 HD3 ARG A 56 -12.067 -11.021 2.853 1.00 63.24 H new ATOM 0 HE ARG A 56 -13.432 -10.913 4.817 1.00 22.34 H new ATOM 0 HH11 ARG A 56 -15.363 -10.627 1.847 1.00 21.41 H new ATOM 0 HH12 ARG A 56 -16.888 -10.754 2.730 1.00 21.41 H new ATOM 0 HH21 ARG A 56 -15.360 -10.884 5.908 1.00 75.32 H new ATOM 0 HH22 ARG A 56 -16.886 -10.898 5.017 1.00 75.32 H new ATOM 899 N ARG A 57 -9.502 -5.752 1.165 1.00 71.43 N ATOM 900 CA ARG A 57 -8.348 -5.179 0.488 1.00 72.54 C ATOM 901 C ARG A 57 -7.463 -4.492 1.524 1.00 34.11 C ATOM 902 O ARG A 57 -6.242 -4.599 1.411 1.00 52.10 O ATOM 903 CB ARG A 57 -8.818 -4.201 -0.581 1.00 14.23 C ATOM 904 CG ARG A 57 -9.302 -4.941 -1.826 1.00 25.14 C ATOM 905 CD ARG A 57 -9.840 -3.916 -2.821 1.00 23.31 C ATOM 906 NE ARG A 57 -9.817 -4.490 -4.169 1.00 34.10 N ATOM 907 CZ ARG A 57 -10.873 -4.833 -4.902 1.00 74.32 C ATOM 908 NH1 ARG A 57 -12.088 -4.414 -4.567 1.00 32.23 N ATOM 909 NH2 ARG A 57 -10.673 -5.607 -5.957 1.00 30.43 N ATOM 0 H ARG A 57 -10.385 -5.293 0.940 1.00 71.43 H new ATOM 0 HA ARG A 57 -7.767 -5.958 -0.005 1.00 72.54 H new ATOM 0 HB2 ARG A 57 -9.624 -3.583 -0.185 1.00 14.23 H new ATOM 0 HB3 ARG A 57 -8.003 -3.529 -0.847 1.00 14.23 H new ATOM 0 HG2 ARG A 57 -8.484 -5.508 -2.271 1.00 25.14 H new ATOM 0 HG3 ARG A 57 -10.080 -5.657 -1.562 1.00 25.14 H new ATOM 0 HD2 ARG A 57 -10.857 -3.631 -2.552 1.00 23.31 H new ATOM 0 HD3 ARG A 57 -9.236 -3.009 -2.789 1.00 23.31 H new ATOM 0 HE ARG A 57 -8.899 -4.642 -4.587 1.00 34.10 H new ATOM 0 HH11 ARG A 57 -12.216 -3.826 -3.744 1.00 32.23 H new ATOM 0 HH12 ARG A 57 -12.893 -4.680 -5.133 1.00 32.23 H new ATOM 0 HH21 ARG A 57 -9.731 -5.922 -6.187 1.00 30.43 H new ATOM 0 HH22 ARG A 57 -11.461 -5.888 -6.540 1.00 30.43 H new ATOM 923 N MET A 58 -8.041 -3.774 2.496 1.00 34.33 N ATOM 924 CA MET A 58 -7.268 -3.122 3.547 1.00 72.53 C ATOM 925 C MET A 58 -6.595 -4.226 4.363 1.00 21.53 C ATOM 926 O MET A 58 -5.402 -4.121 4.620 1.00 63.34 O ATOM 927 CB MET A 58 -8.135 -2.260 4.490 1.00 34.14 C ATOM 928 CG MET A 58 -8.328 -0.821 4.018 1.00 61.02 C ATOM 929 SD MET A 58 -9.221 0.236 5.187 1.00 11.02 S ATOM 930 CE MET A 58 -10.795 0.379 4.321 1.00 1.34 C ATOM 0 H MET A 58 -9.048 -3.633 2.571 1.00 34.33 H new ATOM 0 HA MET A 58 -6.550 -2.448 3.080 1.00 72.53 H new ATOM 0 HB2 MET A 58 -9.113 -2.730 4.598 1.00 34.14 H new ATOM 0 HB3 MET A 58 -7.676 -2.248 5.479 1.00 34.14 H new ATOM 0 HG2 MET A 58 -7.350 -0.381 3.823 1.00 61.02 H new ATOM 0 HG3 MET A 58 -8.867 -0.831 3.071 1.00 61.02 H new ATOM 0 HE1 MET A 58 -11.487 0.973 4.919 1.00 1.34 H new ATOM 0 HE2 MET A 58 -10.638 0.865 3.358 1.00 1.34 H new ATOM 0 HE3 MET A 58 -11.214 -0.614 4.161 1.00 1.34 H new ATOM 940 N ASP A 59 -7.314 -5.305 4.706 1.00 12.01 N ATOM 941 CA ASP A 59 -6.780 -6.435 5.475 1.00 24.40 C ATOM 942 C ASP A 59 -5.558 -7.004 4.745 1.00 13.43 C ATOM 943 O ASP A 59 -4.508 -7.222 5.342 1.00 5.04 O ATOM 944 CB ASP A 59 -7.802 -7.576 5.625 1.00 25.24 C ATOM 945 CG ASP A 59 -8.985 -7.317 6.554 1.00 4.24 C ATOM 946 OD1 ASP A 59 -8.838 -7.491 7.783 1.00 24.31 O ATOM 947 OD2 ASP A 59 -10.114 -7.074 6.071 1.00 34.31 O ATOM 0 H ASP A 59 -8.296 -5.417 4.453 1.00 12.01 H new ATOM 0 HA ASP A 59 -6.527 -6.059 6.466 1.00 24.40 H new ATOM 0 HB2 ASP A 59 -8.192 -7.816 4.636 1.00 25.24 H new ATOM 0 HB3 ASP A 59 -7.275 -8.460 5.983 1.00 25.24 H new ATOM 952 N ILE A 60 -5.687 -7.241 3.435 1.00 44.53 N ATOM 953 CA ILE A 60 -4.622 -7.770 2.590 1.00 44.14 C ATOM 954 C ILE A 60 -3.429 -6.814 2.599 1.00 64.50 C ATOM 955 O ILE A 60 -2.289 -7.284 2.632 1.00 43.23 O ATOM 956 CB ILE A 60 -5.166 -8.046 1.167 1.00 34.30 C ATOM 957 CG1 ILE A 60 -6.092 -9.285 1.167 1.00 51.15 C ATOM 958 CG2 ILE A 60 -4.042 -8.272 0.139 1.00 12.43 C ATOM 959 CD1 ILE A 60 -7.018 -9.361 -0.057 1.00 65.42 C ATOM 0 H ILE A 60 -6.554 -7.065 2.927 1.00 44.53 H new ATOM 0 HA ILE A 60 -4.268 -8.723 2.983 1.00 44.14 H new ATOM 0 HB ILE A 60 -5.724 -7.156 0.876 1.00 34.30 H new ATOM 0 HG12 ILE A 60 -5.480 -10.186 1.205 1.00 51.15 H new ATOM 0 HG13 ILE A 60 -6.700 -9.274 2.072 1.00 51.15 H new ATOM 0 HG21 ILE A 60 -4.479 -8.461 -0.842 1.00 12.43 H new ATOM 0 HG22 ILE A 60 -3.410 -7.385 0.090 1.00 12.43 H new ATOM 0 HG23 ILE A 60 -3.441 -9.130 0.440 1.00 12.43 H new ATOM 0 HD11 ILE A 60 -7.638 -10.255 0.011 1.00 65.42 H new ATOM 0 HD12 ILE A 60 -7.656 -8.478 -0.086 1.00 65.42 H new ATOM 0 HD13 ILE A 60 -6.417 -9.404 -0.966 1.00 65.42 H new ATOM 971 N ALA A 61 -3.665 -5.502 2.537 1.00 5.21 N ATOM 972 CA ALA A 61 -2.596 -4.519 2.556 1.00 23.50 C ATOM 973 C ALA A 61 -1.906 -4.542 3.924 1.00 21.21 C ATOM 974 O ALA A 61 -0.679 -4.518 3.979 1.00 11.03 O ATOM 975 CB ALA A 61 -3.142 -3.127 2.221 1.00 73.14 C ATOM 0 H ALA A 61 -4.600 -5.099 2.473 1.00 5.21 H new ATOM 0 HA ALA A 61 -1.857 -4.768 1.795 1.00 23.50 H new ATOM 0 HB1 ALA A 61 -2.328 -2.403 2.240 1.00 73.14 H new ATOM 0 HB2 ALA A 61 -3.592 -3.142 1.228 1.00 73.14 H new ATOM 0 HB3 ALA A 61 -3.895 -2.845 2.956 1.00 73.14 H new ATOM 981 N LEU A 62 -2.669 -4.614 5.020 1.00 13.32 N ATOM 982 CA LEU A 62 -2.136 -4.639 6.385 1.00 15.51 C ATOM 983 C LEU A 62 -1.291 -5.888 6.598 1.00 1.15 C ATOM 984 O LEU A 62 -0.284 -5.853 7.311 1.00 23.02 O ATOM 985 CB LEU A 62 -3.273 -4.588 7.415 1.00 51.12 C ATOM 986 CG LEU A 62 -3.874 -3.183 7.616 1.00 25.31 C ATOM 987 CD1 LEU A 62 -5.203 -3.312 8.365 1.00 70.21 C ATOM 988 CD2 LEU A 62 -2.917 -2.271 8.401 1.00 3.24 C ATOM 0 H LEU A 62 -3.687 -4.657 4.983 1.00 13.32 H new ATOM 0 HA LEU A 62 -1.508 -3.759 6.523 1.00 15.51 H new ATOM 0 HB2 LEU A 62 -4.064 -5.269 7.102 1.00 51.12 H new ATOM 0 HB3 LEU A 62 -2.899 -4.952 8.372 1.00 51.12 H new ATOM 0 HG LEU A 62 -4.036 -2.730 6.638 1.00 25.31 H new ATOM 0 HD11 LEU A 62 -5.636 -2.322 8.512 1.00 70.21 H new ATOM 0 HD12 LEU A 62 -5.891 -3.926 7.783 1.00 70.21 H new ATOM 0 HD13 LEU A 62 -5.030 -3.780 9.334 1.00 70.21 H new ATOM 0 HD21 LEU A 62 -3.371 -1.288 8.525 1.00 3.24 H new ATOM 0 HD22 LEU A 62 -2.721 -2.707 9.381 1.00 3.24 H new ATOM 0 HD23 LEU A 62 -1.979 -2.171 7.854 1.00 3.24 H new ATOM 1000 N LEU A 63 -1.650 -6.991 5.941 1.00 71.24 N ATOM 1001 CA LEU A 63 -0.904 -8.235 6.038 1.00 35.12 C ATOM 1002 C LEU A 63 0.497 -8.081 5.441 1.00 52.00 C ATOM 1003 O LEU A 63 1.338 -8.946 5.674 1.00 71.03 O ATOM 1004 CB LEU A 63 -1.684 -9.383 5.374 1.00 63.04 C ATOM 1005 CG LEU A 63 -2.724 -10.002 6.324 1.00 24.01 C ATOM 1006 CD1 LEU A 63 -3.798 -10.745 5.522 1.00 70.13 C ATOM 1007 CD2 LEU A 63 -2.044 -10.971 7.300 1.00 1.21 C ATOM 0 H LEU A 63 -2.465 -7.042 5.329 1.00 71.24 H new ATOM 0 HA LEU A 63 -0.780 -8.484 7.092 1.00 35.12 H new ATOM 0 HB2 LEU A 63 -2.186 -9.011 4.481 1.00 63.04 H new ATOM 0 HB3 LEU A 63 -0.986 -10.155 5.049 1.00 63.04 H new ATOM 0 HG LEU A 63 -3.194 -9.199 6.891 1.00 24.01 H new ATOM 0 HD11 LEU A 63 -4.528 -11.178 6.206 1.00 70.13 H new ATOM 0 HD12 LEU A 63 -4.299 -10.047 4.851 1.00 70.13 H new ATOM 0 HD13 LEU A 63 -3.332 -11.539 4.938 1.00 70.13 H new ATOM 0 HD21 LEU A 63 -2.792 -11.401 7.966 1.00 1.21 H new ATOM 0 HD22 LEU A 63 -1.555 -11.768 6.740 1.00 1.21 H new ATOM 0 HD23 LEU A 63 -1.301 -10.433 7.889 1.00 1.21 H new ATOM 1019 N GLN A 64 0.770 -7.000 4.700 1.00 50.33 N ATOM 1020 CA GLN A 64 2.078 -6.738 4.112 1.00 52.00 C ATOM 1021 C GLN A 64 2.982 -5.998 5.125 1.00 14.20 C ATOM 1022 O GLN A 64 4.094 -5.577 4.796 1.00 30.02 O ATOM 1023 CB GLN A 64 1.960 -6.000 2.768 1.00 2.21 C ATOM 1024 CG GLN A 64 0.937 -6.564 1.772 1.00 21.55 C ATOM 1025 CD GLN A 64 1.061 -8.070 1.559 1.00 10.33 C ATOM 1026 OE1 GLN A 64 2.131 -8.579 1.250 1.00 53.20 O ATOM 1027 NE2 GLN A 64 -0.032 -8.811 1.669 1.00 20.43 N ATOM 0 H GLN A 64 0.079 -6.279 4.493 1.00 50.33 H new ATOM 0 HA GLN A 64 2.555 -7.692 3.886 1.00 52.00 H new ATOM 0 HB2 GLN A 64 1.704 -4.960 2.970 1.00 2.21 H new ATOM 0 HB3 GLN A 64 2.940 -6.000 2.290 1.00 2.21 H new ATOM 0 HG2 GLN A 64 -0.068 -6.337 2.128 1.00 21.55 H new ATOM 0 HG3 GLN A 64 1.058 -6.058 0.814 1.00 21.55 H new ATOM 0 HE21 GLN A 64 -0.918 -8.377 1.927 1.00 20.43 H new ATOM 0 HE22 GLN A 64 0.013 -9.815 1.496 1.00 20.43 H new ATOM 1036 N HIS A 65 2.520 -5.777 6.361 1.00 73.12 N ATOM 1037 CA HIS A 65 3.274 -5.119 7.412 1.00 65.40 C ATOM 1038 C HIS A 65 4.400 -6.052 7.832 1.00 44.35 C ATOM 1039 O HIS A 65 4.167 -7.116 8.401 1.00 41.13 O ATOM 1040 CB HIS A 65 2.387 -4.799 8.614 1.00 51.33 C ATOM 1041 CG HIS A 65 3.156 -4.100 9.704 1.00 62.30 C ATOM 1042 ND1 HIS A 65 4.128 -3.118 9.498 1.00 32.33 N ATOM 1043 CD2 HIS A 65 3.037 -4.347 11.039 1.00 74.41 C ATOM 1044 CE1 HIS A 65 4.552 -2.775 10.727 1.00 50.01 C ATOM 1045 NE2 HIS A 65 3.927 -3.506 11.666 1.00 4.01 N ATOM 0 H HIS A 65 1.586 -6.062 6.657 1.00 73.12 H new ATOM 0 HA HIS A 65 3.671 -4.175 7.039 1.00 65.40 H new ATOM 0 HB2 HIS A 65 1.555 -4.171 8.295 1.00 51.33 H new ATOM 0 HB3 HIS A 65 1.958 -5.721 9.005 1.00 51.33 H new ATOM 0 HD2 HIS A 65 2.377 -5.060 11.510 1.00 74.41 H new ATOM 0 HE1 HIS A 65 5.293 -2.016 10.932 1.00 50.01 H new ATOM 0 HE2 HIS A 65 4.086 -3.447 12.672 1.00 4.01 H new ATOM 1053 N GLY A 66 5.634 -5.659 7.553 1.00 75.40 N ATOM 1054 CA GLY A 66 6.823 -6.427 7.874 1.00 61.32 C ATOM 1055 C GLY A 66 7.189 -7.391 6.765 1.00 53.22 C ATOM 1056 O GLY A 66 8.209 -8.049 6.929 1.00 21.44 O ATOM 0 H GLY A 66 5.839 -4.776 7.086 1.00 75.40 H new ATOM 0 HA2 GLY A 66 7.656 -5.748 8.054 1.00 61.32 H new ATOM 0 HA3 GLY A 66 6.658 -6.982 8.798 1.00 61.32 H new ATOM 1060 N THR A 67 6.420 -7.532 5.683 1.00 2.32 N ATOM 1061 CA THR A 67 6.840 -8.465 4.652 1.00 55.23 C ATOM 1062 C THR A 67 8.140 -7.930 4.065 1.00 63.34 C ATOM 1063 O THR A 67 8.254 -6.727 3.820 1.00 20.42 O ATOM 1064 CB THR A 67 5.761 -8.649 3.581 1.00 53.35 C ATOM 1065 OG1 THR A 67 5.347 -7.398 3.075 1.00 24.21 O ATOM 1066 CG2 THR A 67 4.552 -9.400 4.147 1.00 32.15 C ATOM 0 H THR A 67 5.546 -7.036 5.507 1.00 2.32 H new ATOM 0 HA THR A 67 6.999 -9.456 5.077 1.00 55.23 H new ATOM 0 HB THR A 67 6.192 -9.237 2.771 1.00 53.35 H new ATOM 0 HG1 THR A 67 5.172 -7.476 2.114 1.00 24.21 H new ATOM 0 HG21 THR A 67 3.799 -9.518 3.367 1.00 32.15 H new ATOM 0 HG22 THR A 67 4.866 -10.382 4.500 1.00 32.15 H new ATOM 0 HG23 THR A 67 4.129 -8.835 4.977 1.00 32.15 H new ATOM 1074 N LEU A 68 9.107 -8.802 3.824 1.00 65.22 N ATOM 1075 CA LEU A 68 10.374 -8.422 3.249 1.00 21.44 C ATOM 1076 C LEU A 68 10.109 -8.183 1.768 1.00 0.41 C ATOM 1077 O LEU A 68 9.512 -9.026 1.089 1.00 42.31 O ATOM 1078 CB LEU A 68 11.390 -9.564 3.417 1.00 75.34 C ATOM 1079 CG LEU A 68 11.907 -9.753 4.849 1.00 64.12 C ATOM 1080 CD1 LEU A 68 12.723 -11.036 4.979 1.00 4.24 C ATOM 1081 CD2 LEU A 68 12.828 -8.597 5.229 1.00 0.33 C ATOM 0 H LEU A 68 9.027 -9.799 4.026 1.00 65.22 H new ATOM 0 HA LEU A 68 10.783 -7.535 3.734 1.00 21.44 H new ATOM 0 HB2 LEU A 68 10.929 -10.494 3.085 1.00 75.34 H new ATOM 0 HB3 LEU A 68 12.239 -9.377 2.760 1.00 75.34 H new ATOM 0 HG LEU A 68 11.035 -9.796 5.501 1.00 64.12 H new ATOM 0 HD11 LEU A 68 13.075 -11.141 6.005 1.00 4.24 H new ATOM 0 HD12 LEU A 68 12.099 -11.892 4.720 1.00 4.24 H new ATOM 0 HD13 LEU A 68 13.578 -10.993 4.305 1.00 4.24 H new ATOM 0 HD21 LEU A 68 13.190 -8.740 6.247 1.00 0.33 H new ATOM 0 HD22 LEU A 68 13.675 -8.566 4.544 1.00 0.33 H new ATOM 0 HD23 LEU A 68 12.278 -7.658 5.168 1.00 0.33 H new ATOM 1093 N LEU A 69 10.498 -7.002 1.297 1.00 2.33 N ATOM 1094 CA LEU A 69 10.367 -6.556 -0.076 1.00 34.33 C ATOM 1095 C LEU A 69 11.742 -6.042 -0.465 1.00 72.51 C ATOM 1096 O LEU A 69 12.260 -5.144 0.196 1.00 22.30 O ATOM 1097 CB LEU A 69 9.294 -5.459 -0.188 1.00 74.12 C ATOM 1098 CG LEU A 69 9.121 -4.929 -1.627 1.00 32.51 C ATOM 1099 CD1 LEU A 69 8.787 -6.071 -2.590 1.00 3.53 C ATOM 1100 CD2 LEU A 69 8.011 -3.876 -1.695 1.00 5.22 C ATOM 0 H LEU A 69 10.933 -6.300 1.896 1.00 2.33 H new ATOM 0 HA LEU A 69 10.046 -7.357 -0.742 1.00 34.33 H new ATOM 0 HB2 LEU A 69 8.341 -5.853 0.165 1.00 74.12 H new ATOM 0 HB3 LEU A 69 9.559 -4.631 0.469 1.00 74.12 H new ATOM 0 HG LEU A 69 10.066 -4.472 -1.921 1.00 32.51 H new ATOM 0 HD11 LEU A 69 8.669 -5.674 -3.598 1.00 3.53 H new ATOM 0 HD12 LEU A 69 9.594 -6.803 -2.580 1.00 3.53 H new ATOM 0 HD13 LEU A 69 7.859 -6.550 -2.278 1.00 3.53 H new ATOM 0 HD21 LEU A 69 7.910 -3.519 -2.720 1.00 5.22 H new ATOM 0 HD22 LEU A 69 7.069 -4.319 -1.370 1.00 5.22 H new ATOM 0 HD23 LEU A 69 8.263 -3.040 -1.043 1.00 5.22 H new ATOM 1112 N LYS A 70 12.328 -6.594 -1.525 1.00 61.43 N ATOM 1113 CA LYS A 70 13.642 -6.245 -2.050 1.00 72.55 C ATOM 1114 C LYS A 70 14.707 -6.271 -0.950 1.00 4.44 C ATOM 1115 O LYS A 70 15.527 -5.357 -0.852 1.00 64.41 O ATOM 1116 CB LYS A 70 13.559 -4.927 -2.809 1.00 14.53 C ATOM 1117 CG LYS A 70 12.530 -4.960 -3.944 1.00 62.24 C ATOM 1118 CD LYS A 70 12.225 -3.547 -4.429 1.00 65.32 C ATOM 1119 CE LYS A 70 12.952 -3.151 -5.708 1.00 74.23 C ATOM 1120 NZ LYS A 70 14.433 -3.135 -5.611 1.00 73.51 N ATOM 0 H LYS A 70 11.876 -7.332 -2.066 1.00 61.43 H new ATOM 0 HA LYS A 70 13.965 -6.999 -2.768 1.00 72.55 H new ATOM 0 HB2 LYS A 70 13.301 -4.128 -2.114 1.00 14.53 H new ATOM 0 HB3 LYS A 70 14.540 -4.687 -3.220 1.00 14.53 H new ATOM 0 HG2 LYS A 70 12.910 -5.560 -4.770 1.00 62.24 H new ATOM 0 HG3 LYS A 70 11.613 -5.438 -3.598 1.00 62.24 H new ATOM 0 HD2 LYS A 70 11.151 -3.456 -4.593 1.00 65.32 H new ATOM 0 HD3 LYS A 70 12.489 -2.841 -3.642 1.00 65.32 H new ATOM 0 HE2 LYS A 70 12.663 -3.841 -6.501 1.00 74.23 H new ATOM 0 HE3 LYS A 70 12.612 -2.160 -6.009 1.00 74.23 H new ATOM 0 HZ1 LYS A 70 14.802 -2.279 -6.072 1.00 73.51 H new ATOM 0 HZ2 LYS A 70 14.715 -3.138 -4.610 1.00 73.51 H new ATOM 0 HZ3 LYS A 70 14.821 -3.977 -6.083 1.00 73.51 H new ATOM 1134 N GLU A 71 14.671 -7.322 -0.128 1.00 20.40 N ATOM 1135 CA GLU A 71 15.558 -7.605 0.998 1.00 30.23 C ATOM 1136 C GLU A 71 15.567 -6.490 2.057 1.00 11.14 C ATOM 1137 O GLU A 71 16.572 -6.228 2.734 1.00 34.21 O ATOM 1138 CB GLU A 71 16.941 -8.062 0.509 1.00 63.44 C ATOM 1139 CG GLU A 71 16.842 -9.314 -0.389 1.00 72.01 C ATOM 1140 CD GLU A 71 18.161 -10.080 -0.516 1.00 15.34 C ATOM 1141 OE1 GLU A 71 19.235 -9.512 -0.232 1.00 60.12 O ATOM 1142 OE2 GLU A 71 18.132 -11.283 -0.873 1.00 4.33 O ATOM 0 H GLU A 71 13.967 -8.051 -0.243 1.00 20.40 H new ATOM 0 HA GLU A 71 15.149 -8.454 1.545 1.00 30.23 H new ATOM 0 HB2 GLU A 71 17.417 -7.253 -0.045 1.00 63.44 H new ATOM 0 HB3 GLU A 71 17.578 -8.278 1.367 1.00 63.44 H new ATOM 0 HG2 GLU A 71 16.081 -9.982 0.015 1.00 72.01 H new ATOM 0 HG3 GLU A 71 16.508 -9.014 -1.382 1.00 72.01 H new ATOM 1149 N LYS A 72 14.410 -5.848 2.239 1.00 61.12 N ATOM 1150 CA LYS A 72 14.169 -4.769 3.186 1.00 11.21 C ATOM 1151 C LYS A 72 12.860 -5.052 3.902 1.00 34.41 C ATOM 1152 O LYS A 72 11.847 -5.368 3.284 1.00 3.42 O ATOM 1153 CB LYS A 72 14.103 -3.421 2.448 1.00 15.02 C ATOM 1154 CG LYS A 72 15.488 -2.825 2.157 1.00 41.23 C ATOM 1155 CD LYS A 72 16.063 -2.056 3.352 1.00 73.34 C ATOM 1156 CE LYS A 72 15.288 -0.751 3.576 1.00 61.11 C ATOM 1157 NZ LYS A 72 14.844 -0.586 4.974 1.00 32.13 N ATOM 0 H LYS A 72 13.577 -6.083 1.700 1.00 61.12 H new ATOM 0 HA LYS A 72 14.982 -4.713 3.910 1.00 11.21 H new ATOM 0 HB2 LYS A 72 13.567 -3.554 1.508 1.00 15.02 H new ATOM 0 HB3 LYS A 72 13.528 -2.714 3.046 1.00 15.02 H new ATOM 0 HG2 LYS A 72 16.174 -3.626 1.882 1.00 41.23 H new ATOM 0 HG3 LYS A 72 15.419 -2.156 1.299 1.00 41.23 H new ATOM 0 HD2 LYS A 72 16.012 -2.674 4.248 1.00 73.34 H new ATOM 0 HD3 LYS A 72 17.116 -1.835 3.177 1.00 73.34 H new ATOM 0 HE2 LYS A 72 15.918 0.094 3.297 1.00 61.11 H new ATOM 0 HE3 LYS A 72 14.419 -0.732 2.918 1.00 61.11 H new ATOM 0 HZ1 LYS A 72 13.844 -0.300 4.989 1.00 32.13 H new ATOM 0 HZ2 LYS A 72 14.954 -1.487 5.482 1.00 32.13 H new ATOM 0 HZ3 LYS A 72 15.420 0.145 5.437 1.00 32.13 H new ATOM 1171 N LYS A 73 12.889 -5.012 5.229 1.00 22.11 N ATOM 1172 CA LYS A 73 11.726 -5.228 6.078 1.00 74.44 C ATOM 1173 C LYS A 73 10.984 -3.901 6.010 1.00 72.42 C ATOM 1174 O LYS A 73 11.510 -2.891 6.490 1.00 34.03 O ATOM 1175 CB LYS A 73 12.222 -5.528 7.502 1.00 1.35 C ATOM 1176 CG LYS A 73 11.173 -6.165 8.415 1.00 22.34 C ATOM 1177 CD LYS A 73 11.100 -7.681 8.216 1.00 33.42 C ATOM 1178 CE LYS A 73 10.391 -8.407 9.358 1.00 11.53 C ATOM 1179 NZ LYS A 73 8.991 -8.034 9.547 1.00 42.14 N ATOM 0 H LYS A 73 13.742 -4.824 5.756 1.00 22.11 H new ATOM 0 HA LYS A 73 11.088 -6.059 5.777 1.00 74.44 H new ATOM 0 HB2 LYS A 73 13.084 -6.192 7.441 1.00 1.35 H new ATOM 0 HB3 LYS A 73 12.566 -4.599 7.957 1.00 1.35 H new ATOM 0 HG2 LYS A 73 11.413 -5.945 9.455 1.00 22.34 H new ATOM 0 HG3 LYS A 73 10.197 -5.723 8.213 1.00 22.34 H new ATOM 0 HD2 LYS A 73 10.580 -7.893 7.282 1.00 33.42 H new ATOM 0 HD3 LYS A 73 12.111 -8.076 8.115 1.00 33.42 H new ATOM 0 HE2 LYS A 73 10.445 -9.480 9.176 1.00 11.53 H new ATOM 0 HE3 LYS A 73 10.932 -8.213 10.284 1.00 11.53 H new ATOM 0 HZ1 LYS A 73 8.592 -8.575 10.341 1.00 42.14 H new ATOM 0 HZ2 LYS A 73 8.928 -7.017 9.754 1.00 42.14 H new ATOM 0 HZ3 LYS A 73 8.456 -8.245 8.681 1.00 42.14 H new ATOM 1193 N ILE A 74 9.810 -3.872 5.395 1.00 31.53 N ATOM 1194 CA ILE A 74 9.018 -2.651 5.263 1.00 63.22 C ATOM 1195 C ILE A 74 7.842 -2.673 6.236 1.00 12.12 C ATOM 1196 O ILE A 74 7.590 -3.690 6.878 1.00 70.12 O ATOM 1197 CB ILE A 74 8.668 -2.392 3.789 1.00 70.25 C ATOM 1198 CG1 ILE A 74 7.756 -3.486 3.216 1.00 70.31 C ATOM 1199 CG2 ILE A 74 9.978 -2.254 2.979 1.00 74.14 C ATOM 1200 CD1 ILE A 74 7.269 -3.175 1.803 1.00 11.31 C ATOM 0 H ILE A 74 9.377 -4.693 4.972 1.00 31.53 H new ATOM 0 HA ILE A 74 9.602 -1.779 5.559 1.00 63.22 H new ATOM 0 HB ILE A 74 8.104 -1.462 3.716 1.00 70.25 H new ATOM 0 HG12 ILE A 74 8.295 -4.434 3.209 1.00 70.31 H new ATOM 0 HG13 ILE A 74 6.895 -3.614 3.872 1.00 70.31 H new ATOM 0 HG21 ILE A 74 9.740 -2.070 1.931 1.00 74.14 H new ATOM 0 HG22 ILE A 74 10.562 -1.421 3.370 1.00 74.14 H new ATOM 0 HG23 ILE A 74 10.557 -3.174 3.064 1.00 74.14 H new ATOM 0 HD11 ILE A 74 6.629 -3.985 1.452 1.00 11.31 H new ATOM 0 HD12 ILE A 74 6.704 -2.243 1.810 1.00 11.31 H new ATOM 0 HD13 ILE A 74 8.126 -3.075 1.137 1.00 11.31 H new ATOM 1212 N ASN A 75 7.142 -1.556 6.408 1.00 60.04 N ATOM 1213 CA ASN A 75 6.005 -1.428 7.320 1.00 51.43 C ATOM 1214 C ASN A 75 4.753 -1.002 6.580 1.00 41.00 C ATOM 1215 O ASN A 75 4.858 -0.404 5.511 1.00 25.11 O ATOM 1216 CB ASN A 75 6.305 -0.374 8.401 1.00 12.30 C ATOM 1217 CG ASN A 75 6.593 1.017 7.853 1.00 51.25 C ATOM 1218 OD1 ASN A 75 7.732 1.461 7.796 1.00 52.43 O ATOM 1219 ND2 ASN A 75 5.586 1.766 7.437 1.00 5.51 N ATOM 0 H ASN A 75 7.353 -0.693 5.906 1.00 60.04 H new ATOM 0 HA ASN A 75 5.843 -2.405 7.775 1.00 51.43 H new ATOM 0 HB2 ASN A 75 5.455 -0.316 9.081 1.00 12.30 H new ATOM 0 HB3 ASN A 75 7.161 -0.706 8.988 1.00 12.30 H new ATOM 0 HD21 ASN A 75 5.763 2.703 7.074 1.00 5.51 H new ATOM 0 HD22 ASN A 75 4.632 1.407 7.479 1.00 5.51 H new ATOM 1226 N VAL A 76 3.584 -1.265 7.171 1.00 64.12 N ATOM 1227 CA VAL A 76 2.279 -0.905 6.632 1.00 2.10 C ATOM 1228 C VAL A 76 1.355 -0.576 7.807 1.00 24.11 C ATOM 1229 O VAL A 76 1.452 -1.207 8.862 1.00 55.31 O ATOM 1230 CB VAL A 76 1.683 -2.023 5.748 1.00 2.01 C ATOM 1231 CG1 VAL A 76 0.367 -1.546 5.116 1.00 43.20 C ATOM 1232 CG2 VAL A 76 2.631 -2.434 4.616 1.00 10.41 C ATOM 0 H VAL A 76 3.523 -1.750 8.066 1.00 64.12 H new ATOM 0 HA VAL A 76 2.387 -0.036 5.982 1.00 2.10 H new ATOM 0 HB VAL A 76 1.517 -2.883 6.397 1.00 2.01 H new ATOM 0 HG11 VAL A 76 -0.047 -2.340 4.494 1.00 43.20 H new ATOM 0 HG12 VAL A 76 -0.344 -1.293 5.903 1.00 43.20 H new ATOM 0 HG13 VAL A 76 0.556 -0.666 4.502 1.00 43.20 H new ATOM 0 HG21 VAL A 76 2.168 -3.222 4.022 1.00 10.41 H new ATOM 0 HG22 VAL A 76 2.834 -1.572 3.980 1.00 10.41 H new ATOM 0 HG23 VAL A 76 3.566 -2.800 5.040 1.00 10.41 H new ATOM 1242 N GLU A 77 0.473 0.406 7.643 1.00 72.22 N ATOM 1243 CA GLU A 77 -0.498 0.850 8.635 1.00 24.51 C ATOM 1244 C GLU A 77 -1.590 1.659 7.931 1.00 0.02 C ATOM 1245 O GLU A 77 -1.419 2.103 6.793 1.00 24.42 O ATOM 1246 CB GLU A 77 0.171 1.663 9.762 1.00 23.24 C ATOM 1247 CG GLU A 77 1.166 2.733 9.309 1.00 41.22 C ATOM 1248 CD GLU A 77 1.982 3.301 10.463 1.00 53.31 C ATOM 1249 OE1 GLU A 77 3.010 2.684 10.836 1.00 40.14 O ATOM 1250 OE2 GLU A 77 1.614 4.388 10.965 1.00 20.24 O ATOM 0 H GLU A 77 0.414 0.937 6.774 1.00 72.22 H new ATOM 0 HA GLU A 77 -0.947 -0.022 9.111 1.00 24.51 H new ATOM 0 HB2 GLU A 77 -0.610 2.145 10.350 1.00 23.24 H new ATOM 0 HB3 GLU A 77 0.688 0.971 10.426 1.00 23.24 H new ATOM 0 HG2 GLU A 77 1.841 2.305 8.568 1.00 41.22 H new ATOM 0 HG3 GLU A 77 0.625 3.542 8.819 1.00 41.22 H new ATOM 1257 N LEU A 78 -2.737 1.810 8.591 1.00 4.51 N ATOM 1258 CA LEU A 78 -3.883 2.556 8.105 1.00 52.01 C ATOM 1259 C LEU A 78 -3.722 4.023 8.487 1.00 63.43 C ATOM 1260 O LEU A 78 -3.084 4.331 9.500 1.00 22.33 O ATOM 1261 CB LEU A 78 -5.150 1.986 8.764 1.00 73.30 C ATOM 1262 CG LEU A 78 -6.212 1.477 7.786 1.00 22.53 C ATOM 1263 CD1 LEU A 78 -6.837 2.616 6.977 1.00 40.01 C ATOM 1264 CD2 LEU A 78 -5.678 0.390 6.846 1.00 71.21 C ATOM 0 H LEU A 78 -2.893 1.399 9.511 1.00 4.51 H new ATOM 0 HA LEU A 78 -3.959 2.473 7.021 1.00 52.01 H new ATOM 0 HB2 LEU A 78 -4.862 1.167 9.423 1.00 73.30 H new ATOM 0 HB3 LEU A 78 -5.595 2.759 9.391 1.00 73.30 H new ATOM 0 HG LEU A 78 -6.989 1.026 8.403 1.00 22.53 H new ATOM 0 HD11 LEU A 78 -7.585 2.211 6.296 1.00 40.01 H new ATOM 0 HD12 LEU A 78 -7.310 3.326 7.655 1.00 40.01 H new ATOM 0 HD13 LEU A 78 -6.061 3.123 6.404 1.00 40.01 H new ATOM 0 HD21 LEU A 78 -6.474 0.066 6.175 1.00 71.21 H new ATOM 0 HD22 LEU A 78 -4.850 0.790 6.261 1.00 71.21 H new ATOM 0 HD23 LEU A 78 -5.330 -0.460 7.433 1.00 71.21 H new ATOM 1276 N THR A 79 -4.314 4.908 7.690 1.00 23.25 N ATOM 1277 CA THR A 79 -4.288 6.351 7.886 1.00 32.23 C ATOM 1278 C THR A 79 -5.574 6.943 7.316 1.00 15.04 C ATOM 1279 O THR A 79 -5.998 6.500 6.254 1.00 2.32 O ATOM 1280 CB THR A 79 -3.082 6.948 7.135 1.00 72.43 C ATOM 1281 OG1 THR A 79 -2.872 6.329 5.869 1.00 44.13 O ATOM 1282 CG2 THR A 79 -1.785 6.829 7.933 1.00 14.54 C ATOM 0 H THR A 79 -4.842 4.629 6.863 1.00 23.25 H new ATOM 0 HA THR A 79 -4.205 6.581 8.948 1.00 32.23 H new ATOM 0 HB THR A 79 -3.332 7.999 6.993 1.00 72.43 H new ATOM 0 HG1 THR A 79 -3.725 5.992 5.524 1.00 44.13 H new ATOM 0 HG21 THR A 79 -0.965 7.264 7.361 1.00 14.54 H new ATOM 0 HG22 THR A 79 -1.890 7.360 8.879 1.00 14.54 H new ATOM 0 HG23 THR A 79 -1.573 5.778 8.129 1.00 14.54 H new