USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.346 (180deg=0.0574) USER MOD Single : A 4 THR OG1 : rot 129:sc= 1.4 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -136:sc= -2.82 (180deg=-6.58!) USER MOD Single : A 19 HIS : no HD1:sc= -2.33! K(o=-2.3!,f=-0.35) USER MOD Single : A 21 THR OG1 : rot 75:sc= -0.405 USER MOD Single : A 24 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 130:sc= -0.0531 USER MOD Single : A 70 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.0067) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 151:sc= 0.632 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 83 THR OG1 : rot 108:sc= 0.207 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -140:sc= 0.122 USER MOD Single : A 105 LYS NZ :NH3+ -162:sc=-0.00212 (180deg=-0.457) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 67:sc= -0.398 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.238 -0.199 -0.660 1.00 11.20 N ATOM 2 CA MET A 1 2.174 0.746 -1.258 1.00 13.51 C ATOM 3 C MET A 1 3.614 0.291 -1.049 1.00 65.00 C ATOM 4 O MET A 1 4.113 0.274 0.077 1.00 35.10 O ATOM 5 CB MET A 1 1.975 2.141 -0.660 1.00 25.42 C ATOM 6 CG MET A 1 0.747 2.861 -1.191 1.00 34.41 C ATOM 7 SD MET A 1 -0.727 2.541 -0.202 1.00 71.23 S ATOM 8 CE MET A 1 -0.567 3.800 1.061 1.00 12.40 C ATOM 0 H1 MET A 1 0.382 0.307 -0.353 1.00 11.20 H new ATOM 0 H2 MET A 1 0.980 -0.923 -1.361 1.00 11.20 H new ATOM 0 H3 MET A 1 1.683 -0.656 0.161 1.00 11.20 H new ATOM 0 HA MET A 1 1.977 0.786 -2.329 1.00 13.51 H new ATOM 0 HB2 MET A 1 1.895 2.055 0.424 1.00 25.42 H new ATOM 0 HB3 MET A 1 2.858 2.745 -0.867 1.00 25.42 H new ATOM 0 HG2 MET A 1 0.940 3.934 -1.212 1.00 34.41 H new ATOM 0 HG3 MET A 1 0.564 2.550 -2.220 1.00 34.41 H new ATOM 0 HE1 MET A 1 -1.407 3.731 1.752 1.00 12.40 H new ATOM 0 HE2 MET A 1 0.365 3.651 1.607 1.00 12.40 H new ATOM 0 HE3 MET A 1 -0.561 4.785 0.594 1.00 12.40 H new ATOM 18 N ILE A 2 4.278 -0.077 -2.140 1.00 32.22 N ATOM 19 CA ILE A 2 5.661 -0.532 -2.075 1.00 2.21 C ATOM 20 C ILE A 2 6.566 0.543 -1.481 1.00 72.14 C ATOM 21 O ILE A 2 6.729 1.619 -2.057 1.00 73.21 O ATOM 22 CB ILE A 2 6.192 -0.922 -3.467 1.00 54.33 C ATOM 23 CG1 ILE A 2 5.268 -1.953 -4.118 1.00 53.05 C ATOM 24 CG2 ILE A 2 7.609 -1.464 -3.361 1.00 71.53 C ATOM 25 CD1 ILE A 2 5.136 -3.233 -3.324 1.00 33.24 C ATOM 0 H ILE A 2 3.880 -0.069 -3.079 1.00 32.22 H new ATOM 0 HA ILE A 2 5.674 -1.411 -1.431 1.00 2.21 H new ATOM 0 HB ILE A 2 6.212 -0.031 -4.095 1.00 54.33 H new ATOM 0 HG12 ILE A 2 4.280 -1.512 -4.248 1.00 53.05 H new ATOM 0 HG13 ILE A 2 5.645 -2.190 -5.113 1.00 53.05 H new ATOM 0 HG21 ILE A 2 7.970 -1.735 -4.353 1.00 71.53 H new ATOM 0 HG22 ILE A 2 8.260 -0.701 -2.934 1.00 71.53 H new ATOM 0 HG23 ILE A 2 7.614 -2.345 -2.720 1.00 71.53 H new ATOM 0 HD11 ILE A 2 4.466 -3.917 -3.845 1.00 33.24 H new ATOM 0 HD12 ILE A 2 6.116 -3.697 -3.216 1.00 33.24 H new ATOM 0 HD13 ILE A 2 4.730 -3.009 -2.338 1.00 33.24 H new ATOM 37 N ARG A 3 7.153 0.243 -0.328 1.00 2.14 N ATOM 38 CA ARG A 3 8.042 1.183 0.344 1.00 44.21 C ATOM 39 C ARG A 3 9.503 0.794 0.135 1.00 10.02 C ATOM 40 O ARG A 3 10.336 1.630 -0.218 1.00 73.33 O ATOM 41 CB ARG A 3 7.727 1.237 1.840 1.00 54.12 C ATOM 42 CG ARG A 3 7.988 2.596 2.469 1.00 63.30 C ATOM 43 CD ARG A 3 9.472 2.820 2.713 1.00 24.15 C ATOM 44 NE ARG A 3 9.713 3.892 3.676 1.00 32.51 N ATOM 45 CZ ARG A 3 10.909 4.422 3.901 1.00 5.33 C ATOM 46 NH1 ARG A 3 11.969 3.983 3.236 1.00 50.20 N ATOM 47 NH2 ARG A 3 11.048 5.395 4.793 1.00 21.23 N ATOM 0 H ARG A 3 7.029 -0.644 0.161 1.00 2.14 H new ATOM 0 HA ARG A 3 7.880 2.170 -0.090 1.00 44.21 H new ATOM 0 HB2 ARG A 3 6.681 0.971 1.992 1.00 54.12 H new ATOM 0 HB3 ARG A 3 8.326 0.486 2.356 1.00 54.12 H new ATOM 0 HG2 ARG A 3 7.603 3.380 1.817 1.00 63.30 H new ATOM 0 HG3 ARG A 3 7.447 2.672 3.412 1.00 63.30 H new ATOM 0 HD2 ARG A 3 9.923 1.897 3.078 1.00 24.15 H new ATOM 0 HD3 ARG A 3 9.962 3.063 1.770 1.00 24.15 H new ATOM 0 HE ARG A 3 8.919 4.253 4.204 1.00 32.51 H new ATOM 0 HH11 ARG A 3 11.867 3.236 2.549 1.00 50.20 H new ATOM 0 HH12 ARG A 3 12.887 4.392 3.411 1.00 50.20 H new ATOM 0 HH21 ARG A 3 10.235 5.736 5.306 1.00 21.23 H new ATOM 0 HH22 ARG A 3 11.968 5.802 4.965 1.00 21.23 H new ATOM 61 N THR A 4 9.808 -0.481 0.357 1.00 50.11 N ATOM 62 CA THR A 4 11.167 -0.981 0.195 1.00 3.11 C ATOM 63 C THR A 4 11.171 -2.368 -0.436 1.00 63.43 C ATOM 64 O THR A 4 10.140 -3.039 -0.489 1.00 61.31 O ATOM 65 CB THR A 4 11.908 -1.041 1.544 1.00 21.03 C ATOM 66 OG1 THR A 4 11.208 -1.902 2.449 1.00 1.15 O ATOM 67 CG2 THR A 4 12.037 0.347 2.153 1.00 34.04 C ATOM 0 H THR A 4 9.131 -1.186 0.650 1.00 50.11 H new ATOM 0 HA THR A 4 11.684 -0.284 -0.464 1.00 3.11 H new ATOM 0 HB THR A 4 12.908 -1.437 1.367 1.00 21.03 H new ATOM 0 HG1 THR A 4 11.832 -2.558 2.825 1.00 1.15 H new ATOM 0 HG21 THR A 4 12.564 0.279 3.105 1.00 34.04 H new ATOM 0 HG22 THR A 4 12.596 0.992 1.474 1.00 34.04 H new ATOM 0 HG23 THR A 4 11.044 0.766 2.317 1.00 34.04 H new ATOM 75 N ILE A 5 12.337 -2.793 -0.913 1.00 54.11 N ATOM 76 CA ILE A 5 12.474 -4.102 -1.539 1.00 71.02 C ATOM 77 C ILE A 5 13.805 -4.749 -1.173 1.00 61.53 C ATOM 78 O ILE A 5 14.826 -4.071 -1.053 1.00 41.25 O ATOM 79 CB ILE A 5 12.366 -4.007 -3.073 1.00 5.24 C ATOM 80 CG1 ILE A 5 11.079 -3.283 -3.472 1.00 10.35 C ATOM 81 CG2 ILE A 5 12.415 -5.395 -3.694 1.00 55.41 C ATOM 82 CD1 ILE A 5 10.984 -2.990 -4.953 1.00 22.34 C ATOM 0 H ILE A 5 13.200 -2.250 -0.878 1.00 54.11 H new ATOM 0 HA ILE A 5 11.657 -4.719 -1.163 1.00 71.02 H new ATOM 0 HB ILE A 5 13.213 -3.433 -3.448 1.00 5.24 H new ATOM 0 HG12 ILE A 5 10.224 -3.889 -3.174 1.00 10.35 H new ATOM 0 HG13 ILE A 5 11.013 -2.346 -2.920 1.00 10.35 H new ATOM 0 HG21 ILE A 5 12.338 -5.312 -4.778 1.00 55.41 H new ATOM 0 HG22 ILE A 5 13.357 -5.877 -3.434 1.00 55.41 H new ATOM 0 HG23 ILE A 5 11.585 -5.992 -3.316 1.00 55.41 H new ATOM 0 HD11 ILE A 5 10.046 -2.476 -5.163 1.00 22.34 H new ATOM 0 HD12 ILE A 5 11.820 -2.358 -5.253 1.00 22.34 H new ATOM 0 HD13 ILE A 5 11.018 -3.925 -5.512 1.00 22.34 H new ATOM 94 N LEU A 6 13.788 -6.066 -0.998 1.00 71.25 N ATOM 95 CA LEU A 6 14.995 -6.807 -0.648 1.00 34.30 C ATOM 96 C LEU A 6 15.271 -7.910 -1.665 1.00 45.54 C ATOM 97 O LEU A 6 14.360 -8.617 -2.093 1.00 15.33 O ATOM 98 CB LEU A 6 14.858 -7.411 0.751 1.00 73.33 C ATOM 99 CG LEU A 6 16.137 -7.465 1.587 1.00 71.23 C ATOM 100 CD1 LEU A 6 17.170 -8.364 0.925 1.00 53.13 C ATOM 101 CD2 LEU A 6 16.699 -6.066 1.793 1.00 55.00 C ATOM 0 H LEU A 6 12.952 -6.643 -1.093 1.00 71.25 H new ATOM 0 HA LEU A 6 15.834 -6.111 -0.657 1.00 34.30 H new ATOM 0 HB2 LEU A 6 14.112 -6.837 1.301 1.00 73.33 H new ATOM 0 HB3 LEU A 6 14.470 -8.425 0.651 1.00 73.33 H new ATOM 0 HG LEU A 6 15.893 -7.884 2.563 1.00 71.23 H new ATOM 0 HD11 LEU A 6 18.073 -8.390 1.534 1.00 53.13 H new ATOM 0 HD12 LEU A 6 16.767 -9.372 0.830 1.00 53.13 H new ATOM 0 HD13 LEU A 6 17.411 -7.975 -0.064 1.00 53.13 H new ATOM 0 HD21 LEU A 6 17.609 -6.124 2.390 1.00 55.00 H new ATOM 0 HD22 LEU A 6 16.928 -5.620 0.825 1.00 55.00 H new ATOM 0 HD23 LEU A 6 15.963 -5.451 2.311 1.00 55.00 H new ATOM 113 N ALA A 7 16.536 -8.051 -2.047 1.00 45.14 N ATOM 114 CA ALA A 7 16.934 -9.070 -3.011 1.00 2.30 C ATOM 115 C ALA A 7 18.229 -9.753 -2.584 1.00 71.24 C ATOM 116 O ALA A 7 19.093 -9.134 -1.963 1.00 41.23 O ATOM 117 CB ALA A 7 17.090 -8.456 -4.394 1.00 43.53 C ATOM 0 H ALA A 7 17.303 -7.473 -1.704 1.00 45.14 H new ATOM 0 HA ALA A 7 16.150 -9.826 -3.048 1.00 2.30 H new ATOM 0 HB1 ALA A 7 17.387 -9.228 -5.103 1.00 43.53 H new ATOM 0 HB2 ALA A 7 16.141 -8.021 -4.708 1.00 43.53 H new ATOM 0 HB3 ALA A 7 17.853 -7.678 -4.363 1.00 43.53 H new ATOM 123 N ILE A 8 18.356 -11.032 -2.921 1.00 33.33 N ATOM 124 CA ILE A 8 19.546 -11.799 -2.572 1.00 55.13 C ATOM 125 C ILE A 8 19.947 -12.736 -3.706 1.00 62.02 C ATOM 126 O ILE A 8 19.128 -13.504 -4.210 1.00 73.23 O ATOM 127 CB ILE A 8 19.328 -12.625 -1.291 1.00 75.42 C ATOM 128 CG1 ILE A 8 18.799 -11.733 -0.166 1.00 61.12 C ATOM 129 CG2 ILE A 8 20.623 -13.304 -0.872 1.00 71.30 C ATOM 130 CD1 ILE A 8 17.289 -11.667 -0.106 1.00 41.33 C ATOM 0 H ILE A 8 17.650 -11.559 -3.435 1.00 33.33 H new ATOM 0 HA ILE A 8 20.346 -11.079 -2.398 1.00 55.13 H new ATOM 0 HB ILE A 8 18.586 -13.397 -1.496 1.00 75.42 H new ATOM 0 HG12 ILE A 8 19.177 -12.102 0.787 1.00 61.12 H new ATOM 0 HG13 ILE A 8 19.194 -10.725 -0.296 1.00 61.12 H new ATOM 0 HG21 ILE A 8 20.453 -13.884 0.035 1.00 71.30 H new ATOM 0 HG22 ILE A 8 20.961 -13.967 -1.669 1.00 71.30 H new ATOM 0 HG23 ILE A 8 21.385 -12.548 -0.682 1.00 71.30 H new ATOM 0 HD11 ILE A 8 16.986 -11.017 0.715 1.00 41.33 H new ATOM 0 HD12 ILE A 8 16.905 -11.269 -1.045 1.00 41.33 H new ATOM 0 HD13 ILE A 8 16.887 -12.667 0.056 1.00 41.33 H new ATOM 142 N ASP A 9 21.214 -12.668 -4.102 1.00 34.45 N ATOM 143 CA ASP A 9 21.726 -13.513 -5.174 1.00 71.03 C ATOM 144 C ASP A 9 23.243 -13.648 -5.083 1.00 13.15 C ATOM 145 O ASP A 9 23.908 -12.850 -4.422 1.00 50.54 O ATOM 146 CB ASP A 9 21.334 -12.938 -6.536 1.00 41.03 C ATOM 147 CG ASP A 9 21.597 -13.908 -7.672 1.00 4.34 C ATOM 148 OD1 ASP A 9 22.585 -13.705 -8.408 1.00 44.14 O ATOM 149 OD2 ASP A 9 20.816 -14.870 -7.823 1.00 1.33 O ATOM 0 H ASP A 9 21.905 -12.036 -3.696 1.00 34.45 H new ATOM 0 HA ASP A 9 21.284 -14.503 -5.065 1.00 71.03 H new ATOM 0 HB2 ASP A 9 20.276 -12.674 -6.525 1.00 41.03 H new ATOM 0 HB3 ASP A 9 21.890 -12.017 -6.712 1.00 41.03 H new ATOM 154 N ASP A 10 23.782 -14.663 -5.748 1.00 25.23 N ATOM 155 CA ASP A 10 25.221 -14.903 -5.741 1.00 71.04 C ATOM 156 C ASP A 10 25.900 -14.165 -6.891 1.00 10.33 C ATOM 157 O ASP A 10 26.966 -13.574 -6.718 1.00 51.33 O ATOM 158 CB ASP A 10 25.510 -16.402 -5.840 1.00 1.32 C ATOM 159 CG ASP A 10 25.218 -17.134 -4.545 1.00 3.12 C ATOM 160 OD1 ASP A 10 25.564 -16.599 -3.471 1.00 22.54 O ATOM 161 OD2 ASP A 10 24.645 -18.242 -4.605 1.00 52.24 O ATOM 0 H ASP A 10 23.245 -15.333 -6.299 1.00 25.23 H new ATOM 0 HA ASP A 10 25.623 -14.524 -4.801 1.00 71.04 H new ATOM 0 HB2 ASP A 10 24.909 -16.833 -6.641 1.00 1.32 H new ATOM 0 HB3 ASP A 10 26.555 -16.551 -6.110 1.00 1.32 H new ATOM 166 N SER A 11 25.276 -14.204 -8.064 1.00 32.24 N ATOM 167 CA SER A 11 25.822 -13.543 -9.243 1.00 22.21 C ATOM 168 C SER A 11 25.754 -12.026 -9.096 1.00 72.20 C ATOM 169 O SER A 11 24.671 -11.443 -9.059 1.00 34.53 O ATOM 170 CB SER A 11 25.062 -13.980 -10.497 1.00 23.33 C ATOM 171 OG SER A 11 25.493 -15.257 -10.935 1.00 32.54 O ATOM 0 H SER A 11 24.392 -14.687 -8.223 1.00 32.24 H new ATOM 0 HA SER A 11 26.868 -13.835 -9.341 1.00 22.21 H new ATOM 0 HB2 SER A 11 23.993 -14.006 -10.288 1.00 23.33 H new ATOM 0 HB3 SER A 11 25.214 -13.249 -11.291 1.00 23.33 H new ATOM 0 HG SER A 11 24.991 -15.514 -11.736 1.00 32.54 H new ATOM 177 N ALA A 12 26.919 -11.393 -9.013 1.00 43.10 N ATOM 178 CA ALA A 12 26.993 -9.944 -8.872 1.00 61.02 C ATOM 179 C ALA A 12 26.163 -9.245 -9.943 1.00 74.34 C ATOM 180 O ALA A 12 25.544 -8.211 -9.689 1.00 30.33 O ATOM 181 CB ALA A 12 28.441 -9.480 -8.938 1.00 72.42 C ATOM 0 H ALA A 12 27.825 -11.861 -9.041 1.00 43.10 H new ATOM 0 HA ALA A 12 26.581 -9.677 -7.899 1.00 61.02 H new ATOM 0 HB1 ALA A 12 28.481 -8.396 -8.831 1.00 72.42 H new ATOM 0 HB2 ALA A 12 29.009 -9.945 -8.132 1.00 72.42 H new ATOM 0 HB3 ALA A 12 28.871 -9.766 -9.898 1.00 72.42 H new ATOM 187 N THR A 13 26.153 -9.816 -11.144 1.00 40.12 N ATOM 188 CA THR A 13 25.400 -9.247 -12.255 1.00 1.12 C ATOM 189 C THR A 13 23.932 -9.065 -11.888 1.00 12.24 C ATOM 190 O THR A 13 23.361 -7.993 -12.085 1.00 44.55 O ATOM 191 CB THR A 13 25.497 -10.132 -13.512 1.00 23.25 C ATOM 192 OG1 THR A 13 26.865 -10.260 -13.916 1.00 30.41 O ATOM 193 CG2 THR A 13 24.679 -9.545 -14.652 1.00 20.14 C ATOM 0 H THR A 13 26.658 -10.672 -11.372 1.00 40.12 H new ATOM 0 HA THR A 13 25.842 -8.274 -12.470 1.00 1.12 H new ATOM 0 HB THR A 13 25.097 -11.116 -13.268 1.00 23.25 H new ATOM 0 HG1 THR A 13 26.919 -10.825 -14.715 1.00 30.41 H new ATOM 0 HG21 THR A 13 24.763 -10.187 -15.529 1.00 20.14 H new ATOM 0 HG22 THR A 13 23.633 -9.476 -14.352 1.00 20.14 H new ATOM 0 HG23 THR A 13 25.053 -8.550 -14.894 1.00 20.14 H new ATOM 201 N MET A 14 23.326 -10.119 -11.351 1.00 53.04 N ATOM 202 CA MET A 14 21.923 -10.074 -10.955 1.00 1.43 C ATOM 203 C MET A 14 21.717 -9.102 -9.797 1.00 54.45 C ATOM 204 O MET A 14 20.801 -8.279 -9.822 1.00 2.23 O ATOM 205 CB MET A 14 21.438 -11.469 -10.557 1.00 1.02 C ATOM 206 CG MET A 14 19.985 -11.732 -10.916 1.00 34.45 C ATOM 207 SD MET A 14 19.435 -13.377 -10.422 1.00 75.13 S ATOM 208 CE MET A 14 20.666 -14.401 -11.225 1.00 11.21 C ATOM 0 H MET A 14 23.784 -11.014 -11.180 1.00 53.04 H new ATOM 0 HA MET A 14 21.341 -9.725 -11.808 1.00 1.43 H new ATOM 0 HB2 MET A 14 22.065 -12.216 -11.044 1.00 1.02 H new ATOM 0 HB3 MET A 14 21.567 -11.597 -9.482 1.00 1.02 H new ATOM 0 HG2 MET A 14 19.355 -10.983 -10.436 1.00 34.45 H new ATOM 0 HG3 MET A 14 19.854 -11.617 -11.992 1.00 34.45 H new ATOM 0 HE1 MET A 14 20.178 -15.252 -11.701 1.00 11.21 H new ATOM 0 HE2 MET A 14 21.190 -13.815 -11.980 1.00 11.21 H new ATOM 0 HE3 MET A 14 21.380 -14.760 -10.484 1.00 11.21 H new ATOM 218 N ARG A 15 22.573 -9.203 -8.786 1.00 15.42 N ATOM 219 CA ARG A 15 22.482 -8.333 -7.619 1.00 63.10 C ATOM 220 C ARG A 15 22.434 -6.866 -8.036 1.00 61.25 C ATOM 221 O ARG A 15 21.718 -6.064 -7.439 1.00 10.34 O ATOM 222 CB ARG A 15 23.672 -8.570 -6.687 1.00 34.35 C ATOM 223 CG ARG A 15 23.489 -9.759 -5.757 1.00 42.01 C ATOM 224 CD ARG A 15 24.338 -9.621 -4.503 1.00 64.11 C ATOM 225 NE ARG A 15 25.720 -10.036 -4.730 1.00 3.24 N ATOM 226 CZ ARG A 15 26.682 -9.914 -3.822 1.00 4.41 C ATOM 227 NH1 ARG A 15 26.414 -9.392 -2.633 1.00 21.02 N ATOM 228 NH2 ARG A 15 27.916 -10.314 -4.103 1.00 31.14 N ATOM 0 H ARG A 15 23.337 -9.878 -8.751 1.00 15.42 H new ATOM 0 HA ARG A 15 21.560 -8.572 -7.090 1.00 63.10 H new ATOM 0 HB2 ARG A 15 24.568 -8.724 -7.288 1.00 34.35 H new ATOM 0 HB3 ARG A 15 23.839 -7.674 -6.089 1.00 34.35 H new ATOM 0 HG2 ARG A 15 22.439 -9.847 -5.479 1.00 42.01 H new ATOM 0 HG3 ARG A 15 23.758 -10.677 -6.280 1.00 42.01 H new ATOM 0 HD2 ARG A 15 24.321 -8.585 -4.166 1.00 64.11 H new ATOM 0 HD3 ARG A 15 23.905 -10.223 -3.704 1.00 64.11 H new ATOM 0 HE ARG A 15 25.959 -10.441 -5.635 1.00 3.24 H new ATOM 0 HH11 ARG A 15 25.467 -9.083 -2.413 1.00 21.02 H new ATOM 0 HH12 ARG A 15 27.155 -9.300 -1.938 1.00 21.02 H new ATOM 0 HH21 ARG A 15 28.126 -10.715 -5.017 1.00 31.14 H new ATOM 0 HH22 ARG A 15 28.654 -10.220 -3.405 1.00 31.14 H new ATOM 242 N ALA A 16 23.202 -6.524 -9.066 1.00 13.20 N ATOM 243 CA ALA A 16 23.245 -5.155 -9.564 1.00 45.32 C ATOM 244 C ALA A 16 22.083 -4.878 -10.511 1.00 50.24 C ATOM 245 O ALA A 16 21.445 -3.827 -10.437 1.00 42.44 O ATOM 246 CB ALA A 16 24.572 -4.889 -10.261 1.00 54.21 C ATOM 0 H ALA A 16 23.802 -7.176 -9.571 1.00 13.20 H new ATOM 0 HA ALA A 16 23.153 -4.481 -8.712 1.00 45.32 H new ATOM 0 HB1 ALA A 16 24.591 -3.863 -10.628 1.00 54.21 H new ATOM 0 HB2 ALA A 16 25.390 -5.037 -9.556 1.00 54.21 H new ATOM 0 HB3 ALA A 16 24.687 -5.576 -11.099 1.00 54.21 H new ATOM 252 N LEU A 17 21.812 -5.826 -11.401 1.00 65.14 N ATOM 253 CA LEU A 17 20.726 -5.684 -12.365 1.00 2.03 C ATOM 254 C LEU A 17 19.407 -5.389 -11.658 1.00 71.21 C ATOM 255 O LEU A 17 18.804 -4.334 -11.860 1.00 4.13 O ATOM 256 CB LEU A 17 20.595 -6.955 -13.206 1.00 15.21 C ATOM 257 CG LEU A 17 19.885 -6.799 -14.551 1.00 52.32 C ATOM 258 CD1 LEU A 17 18.412 -6.481 -14.344 1.00 60.01 C ATOM 259 CD2 LEU A 17 20.554 -5.715 -15.385 1.00 31.53 C ATOM 0 H LEU A 17 22.329 -6.702 -11.475 1.00 65.14 H new ATOM 0 HA LEU A 17 20.961 -4.845 -13.020 1.00 2.03 H new ATOM 0 HB2 LEU A 17 21.594 -7.350 -13.389 1.00 15.21 H new ATOM 0 HB3 LEU A 17 20.059 -7.701 -12.619 1.00 15.21 H new ATOM 0 HG LEU A 17 19.959 -7.743 -15.091 1.00 52.32 H new ATOM 0 HD11 LEU A 17 17.923 -6.374 -15.312 1.00 60.01 H new ATOM 0 HD12 LEU A 17 17.940 -7.290 -13.787 1.00 60.01 H new ATOM 0 HD13 LEU A 17 18.316 -5.551 -13.784 1.00 60.01 H new ATOM 0 HD21 LEU A 17 20.035 -5.618 -16.339 1.00 31.53 H new ATOM 0 HD22 LEU A 17 20.511 -4.766 -14.850 1.00 31.53 H new ATOM 0 HD23 LEU A 17 21.595 -5.984 -15.564 1.00 31.53 H new ATOM 271 N LEU A 18 18.964 -6.327 -10.828 1.00 22.01 N ATOM 272 CA LEU A 18 17.717 -6.167 -10.088 1.00 72.35 C ATOM 273 C LEU A 18 17.748 -4.905 -9.233 1.00 45.44 C ATOM 274 O LEU A 18 16.731 -4.232 -9.063 1.00 43.44 O ATOM 275 CB LEU A 18 17.465 -7.390 -9.204 1.00 42.20 C ATOM 276 CG LEU A 18 17.268 -8.718 -9.935 1.00 64.22 C ATOM 277 CD1 LEU A 18 17.004 -9.840 -8.943 1.00 3.23 C ATOM 278 CD2 LEU A 18 16.129 -8.611 -10.938 1.00 33.42 C ATOM 0 H LEU A 18 19.450 -7.206 -10.651 1.00 22.01 H new ATOM 0 HA LEU A 18 16.905 -6.074 -10.809 1.00 72.35 H new ATOM 0 HB2 LEU A 18 18.306 -7.497 -8.518 1.00 42.20 H new ATOM 0 HB3 LEU A 18 16.581 -7.198 -8.597 1.00 42.20 H new ATOM 0 HG LEU A 18 18.184 -8.950 -10.479 1.00 64.22 H new ATOM 0 HD11 LEU A 18 16.866 -10.777 -9.482 1.00 3.23 H new ATOM 0 HD12 LEU A 18 17.852 -9.933 -8.264 1.00 3.23 H new ATOM 0 HD13 LEU A 18 16.104 -9.615 -8.370 1.00 3.23 H new ATOM 0 HD21 LEU A 18 16.003 -9.566 -11.449 1.00 33.42 H new ATOM 0 HD22 LEU A 18 15.207 -8.355 -10.416 1.00 33.42 H new ATOM 0 HD23 LEU A 18 16.359 -7.836 -11.669 1.00 33.42 H new ATOM 290 N HIS A 19 18.923 -4.587 -8.699 1.00 24.43 N ATOM 291 CA HIS A 19 19.088 -3.403 -7.863 1.00 64.22 C ATOM 292 C HIS A 19 18.863 -2.131 -8.674 1.00 13.40 C ATOM 293 O HIS A 19 18.266 -1.171 -8.187 1.00 40.21 O ATOM 294 CB HIS A 19 20.484 -3.384 -7.240 1.00 3.34 C ATOM 295 CG HIS A 19 20.805 -2.105 -6.529 1.00 10.11 C ATOM 296 ND1 HIS A 19 21.943 -1.368 -6.782 1.00 73.10 N ATOM 297 CD2 HIS A 19 20.128 -1.432 -5.569 1.00 42.54 C ATOM 298 CE1 HIS A 19 21.953 -0.298 -6.008 1.00 12.23 C ATOM 299 NE2 HIS A 19 20.862 -0.312 -5.263 1.00 24.45 N ATOM 0 H HIS A 19 19.775 -5.133 -8.830 1.00 24.43 H new ATOM 0 HA HIS A 19 18.344 -3.443 -7.068 1.00 64.22 H new ATOM 0 HB2 HIS A 19 20.571 -4.213 -6.537 1.00 3.34 H new ATOM 0 HB3 HIS A 19 21.224 -3.551 -8.022 1.00 3.34 H new ATOM 0 HD2 HIS A 19 19.186 -1.722 -5.126 1.00 42.54 H new ATOM 0 HE1 HIS A 19 22.722 0.460 -5.988 1.00 12.23 H new ATOM 0 HE2 HIS A 19 20.606 0.394 -4.573 1.00 24.45 H new ATOM 307 N ALA A 20 19.344 -2.131 -9.913 1.00 5.44 N ATOM 308 CA ALA A 20 19.194 -0.977 -10.791 1.00 1.03 C ATOM 309 C ALA A 20 17.777 -0.893 -11.349 1.00 5.22 C ATOM 310 O ALA A 20 17.153 0.168 -11.329 1.00 15.22 O ATOM 311 CB ALA A 20 20.207 -1.041 -11.924 1.00 41.12 C ATOM 0 H ALA A 20 19.841 -2.917 -10.331 1.00 5.44 H new ATOM 0 HA ALA A 20 19.379 -0.078 -10.204 1.00 1.03 H new ATOM 0 HB1 ALA A 20 20.084 -0.173 -12.572 1.00 41.12 H new ATOM 0 HB2 ALA A 20 21.216 -1.045 -11.511 1.00 41.12 H new ATOM 0 HB3 ALA A 20 20.049 -1.951 -12.503 1.00 41.12 H new ATOM 317 N THR A 21 17.275 -2.018 -11.848 1.00 20.01 N ATOM 318 CA THR A 21 15.933 -2.071 -12.413 1.00 51.04 C ATOM 319 C THR A 21 14.907 -1.485 -11.450 1.00 32.40 C ATOM 320 O THR A 21 13.987 -0.777 -11.862 1.00 31.34 O ATOM 321 CB THR A 21 15.527 -3.515 -12.762 1.00 71.33 C ATOM 322 OG1 THR A 21 16.649 -4.223 -13.301 1.00 50.04 O ATOM 323 CG2 THR A 21 14.383 -3.529 -13.765 1.00 41.42 C ATOM 0 H THR A 21 17.778 -2.905 -11.872 1.00 20.01 H new ATOM 0 HA THR A 21 15.951 -1.476 -13.326 1.00 51.04 H new ATOM 0 HB THR A 21 15.193 -4.006 -11.848 1.00 71.33 H new ATOM 0 HG1 THR A 21 17.269 -4.454 -12.578 1.00 50.04 H new ATOM 0 HG21 THR A 21 14.114 -4.560 -13.996 1.00 41.42 H new ATOM 0 HG22 THR A 21 13.520 -3.015 -13.340 1.00 41.42 H new ATOM 0 HG23 THR A 21 14.694 -3.022 -14.678 1.00 41.42 H new ATOM 331 N LEU A 22 15.070 -1.784 -10.166 1.00 21.20 N ATOM 332 CA LEU A 22 14.158 -1.286 -9.143 1.00 34.25 C ATOM 333 C LEU A 22 14.534 0.130 -8.720 1.00 54.54 C ATOM 334 O LEU A 22 13.666 0.952 -8.427 1.00 11.14 O ATOM 335 CB LEU A 22 14.170 -2.213 -7.926 1.00 35.32 C ATOM 336 CG LEU A 22 13.345 -3.495 -8.050 1.00 62.05 C ATOM 337 CD1 LEU A 22 13.683 -4.459 -6.924 1.00 3.12 C ATOM 338 CD2 LEU A 22 11.858 -3.174 -8.052 1.00 74.41 C ATOM 0 H LEU A 22 15.825 -2.369 -9.809 1.00 21.20 H new ATOM 0 HA LEU A 22 13.154 -1.264 -9.567 1.00 34.25 H new ATOM 0 HB2 LEU A 22 15.203 -2.489 -7.715 1.00 35.32 H new ATOM 0 HB3 LEU A 22 13.807 -1.653 -7.064 1.00 35.32 H new ATOM 0 HG LEU A 22 13.594 -3.974 -8.997 1.00 62.05 H new ATOM 0 HD11 LEU A 22 13.086 -5.365 -7.029 1.00 3.12 H new ATOM 0 HD12 LEU A 22 14.742 -4.715 -6.969 1.00 3.12 H new ATOM 0 HD13 LEU A 22 13.464 -3.990 -5.965 1.00 3.12 H new ATOM 0 HD21 LEU A 22 11.286 -4.098 -8.141 1.00 74.41 H new ATOM 0 HD22 LEU A 22 11.593 -2.671 -7.122 1.00 74.41 H new ATOM 0 HD23 LEU A 22 11.628 -2.522 -8.895 1.00 74.41 H new ATOM 350 N ALA A 23 15.833 0.410 -8.695 1.00 33.53 N ATOM 351 CA ALA A 23 16.323 1.728 -8.313 1.00 25.10 C ATOM 352 C ALA A 23 15.807 2.802 -9.264 1.00 10.42 C ATOM 353 O ALA A 23 15.243 3.807 -8.831 1.00 44.21 O ATOM 354 CB ALA A 23 17.845 1.736 -8.281 1.00 34.13 C ATOM 0 H ALA A 23 16.565 -0.259 -8.935 1.00 33.53 H new ATOM 0 HA ALA A 23 15.948 1.953 -7.315 1.00 25.10 H new ATOM 0 HB1 ALA A 23 18.198 2.727 -7.994 1.00 34.13 H new ATOM 0 HB2 ALA A 23 18.198 1.002 -7.557 1.00 34.13 H new ATOM 0 HB3 ALA A 23 18.231 1.485 -9.269 1.00 34.13 H new ATOM 360 N GLN A 24 16.004 2.583 -10.560 1.00 11.41 N ATOM 361 CA GLN A 24 15.559 3.535 -11.571 1.00 73.21 C ATOM 362 C GLN A 24 14.065 3.814 -11.436 1.00 64.10 C ATOM 363 O GLN A 24 13.615 4.943 -11.629 1.00 61.34 O ATOM 364 CB GLN A 24 15.865 3.003 -12.972 1.00 45.02 C ATOM 365 CG GLN A 24 15.302 1.615 -13.233 1.00 43.40 C ATOM 366 CD GLN A 24 16.126 0.830 -14.235 1.00 54.30 C ATOM 367 OE1 GLN A 24 17.350 0.759 -14.130 1.00 4.52 O ATOM 368 NE2 GLN A 24 15.456 0.235 -15.215 1.00 32.32 N ATOM 0 H GLN A 24 16.468 1.756 -10.934 1.00 11.41 H new ATOM 0 HA GLN A 24 16.100 4.469 -11.418 1.00 73.21 H new ATOM 0 HB2 GLN A 24 15.460 3.695 -13.711 1.00 45.02 H new ATOM 0 HB3 GLN A 24 16.945 2.980 -13.115 1.00 45.02 H new ATOM 0 HG2 GLN A 24 15.256 1.063 -12.294 1.00 43.40 H new ATOM 0 HG3 GLN A 24 14.280 1.705 -13.600 1.00 43.40 H new ATOM 0 HE21 GLN A 24 14.441 0.320 -15.264 1.00 32.32 H new ATOM 0 HE22 GLN A 24 15.957 -0.307 -15.919 1.00 32.32 H new ATOM 377 N ALA A 25 13.303 2.778 -11.103 1.00 75.23 N ATOM 378 CA ALA A 25 11.860 2.912 -10.941 1.00 3.02 C ATOM 379 C ALA A 25 11.522 3.796 -9.745 1.00 45.22 C ATOM 380 O ALA A 25 10.422 4.338 -9.653 1.00 32.03 O ATOM 381 CB ALA A 25 11.217 1.542 -10.785 1.00 51.01 C ATOM 0 H ALA A 25 13.660 1.837 -10.940 1.00 75.23 H new ATOM 0 HA ALA A 25 11.461 3.389 -11.837 1.00 3.02 H new ATOM 0 HB1 ALA A 25 10.140 1.657 -10.665 1.00 51.01 H new ATOM 0 HB2 ALA A 25 11.421 0.941 -11.671 1.00 51.01 H new ATOM 0 HB3 ALA A 25 11.629 1.045 -9.907 1.00 51.01 H new ATOM 387 N GLY A 26 12.477 3.937 -8.830 1.00 42.14 N ATOM 388 CA GLY A 26 12.260 4.756 -7.652 1.00 65.01 C ATOM 389 C GLY A 26 12.185 3.934 -6.381 1.00 13.02 C ATOM 390 O GLY A 26 12.571 4.399 -5.308 1.00 44.44 O ATOM 0 H GLY A 26 13.396 3.499 -8.884 1.00 42.14 H new ATOM 0 HA2 GLY A 26 13.068 5.482 -7.564 1.00 65.01 H new ATOM 0 HA3 GLY A 26 11.335 5.321 -7.771 1.00 65.01 H new ATOM 394 N TYR A 27 11.684 2.709 -6.499 1.00 40.41 N ATOM 395 CA TYR A 27 11.555 1.822 -5.349 1.00 53.22 C ATOM 396 C TYR A 27 12.867 1.740 -4.575 1.00 35.34 C ATOM 397 O TYR A 27 13.943 1.944 -5.134 1.00 24.32 O ATOM 398 CB TYR A 27 11.128 0.425 -5.802 1.00 63.22 C ATOM 399 CG TYR A 27 9.926 0.426 -6.719 1.00 51.21 C ATOM 400 CD1 TYR A 27 10.016 -0.067 -8.015 1.00 73.10 C ATOM 401 CD2 TYR A 27 8.701 0.921 -6.290 1.00 52.41 C ATOM 402 CE1 TYR A 27 8.920 -0.067 -8.857 1.00 21.44 C ATOM 403 CE2 TYR A 27 7.600 0.924 -7.124 1.00 73.23 C ATOM 404 CZ TYR A 27 7.714 0.429 -8.407 1.00 23.45 C ATOM 405 OH TYR A 27 6.620 0.431 -9.241 1.00 21.50 O ATOM 0 H TYR A 27 11.361 2.308 -7.379 1.00 40.41 H new ATOM 0 HA TYR A 27 10.790 2.232 -4.689 1.00 53.22 H new ATOM 0 HB2 TYR A 27 11.964 -0.053 -6.313 1.00 63.22 H new ATOM 0 HB3 TYR A 27 10.903 -0.180 -4.923 1.00 63.22 H new ATOM 0 HD1 TYR A 27 10.958 -0.457 -8.370 1.00 73.10 H new ATOM 0 HD2 TYR A 27 8.608 1.310 -5.287 1.00 52.41 H new ATOM 0 HE1 TYR A 27 9.007 -0.453 -9.862 1.00 21.44 H new ATOM 0 HE2 TYR A 27 6.655 1.312 -6.774 1.00 73.23 H new ATOM 0 HH TYR A 27 5.850 0.813 -8.770 1.00 21.50 H new ATOM 415 N GLU A 28 12.766 1.438 -3.284 1.00 10.33 N ATOM 416 CA GLU A 28 13.944 1.329 -2.432 1.00 21.34 C ATOM 417 C GLU A 28 14.440 -0.113 -2.372 1.00 21.22 C ATOM 418 O GLU A 28 14.208 -0.821 -1.392 1.00 21.32 O ATOM 419 CB GLU A 28 13.629 1.830 -1.021 1.00 11.13 C ATOM 420 CG GLU A 28 14.846 2.350 -0.274 1.00 34.25 C ATOM 421 CD GLU A 28 15.508 3.518 -0.978 1.00 61.43 C ATOM 422 OE1 GLU A 28 15.119 4.673 -0.708 1.00 21.23 O ATOM 423 OE2 GLU A 28 16.416 3.275 -1.801 1.00 4.54 O ATOM 0 H GLU A 28 11.882 1.265 -2.806 1.00 10.33 H new ATOM 0 HA GLU A 28 14.731 1.949 -2.863 1.00 21.34 H new ATOM 0 HB2 GLU A 28 12.885 2.624 -1.084 1.00 11.13 H new ATOM 0 HB3 GLU A 28 13.181 1.018 -0.448 1.00 11.13 H new ATOM 0 HG2 GLU A 28 14.548 2.657 0.729 1.00 34.25 H new ATOM 0 HG3 GLU A 28 15.569 1.543 -0.159 1.00 34.25 H new ATOM 430 N VAL A 29 15.124 -0.542 -3.428 1.00 2.21 N ATOM 431 CA VAL A 29 15.654 -1.898 -3.497 1.00 31.45 C ATOM 432 C VAL A 29 17.016 -1.992 -2.817 1.00 55.22 C ATOM 433 O VAL A 29 17.847 -1.092 -2.941 1.00 1.12 O ATOM 434 CB VAL A 29 15.786 -2.376 -4.955 1.00 21.32 C ATOM 435 CG1 VAL A 29 16.623 -1.397 -5.764 1.00 24.42 C ATOM 436 CG2 VAL A 29 16.387 -3.773 -5.005 1.00 10.10 C ATOM 0 H VAL A 29 15.324 0.031 -4.248 1.00 2.21 H new ATOM 0 HA VAL A 29 14.946 -2.541 -2.975 1.00 31.45 H new ATOM 0 HB VAL A 29 14.791 -2.418 -5.397 1.00 21.32 H new ATOM 0 HG11 VAL A 29 16.705 -1.751 -6.792 1.00 24.42 H new ATOM 0 HG12 VAL A 29 16.146 -0.417 -5.755 1.00 24.42 H new ATOM 0 HG13 VAL A 29 17.618 -1.320 -5.326 1.00 24.42 H new ATOM 0 HG21 VAL A 29 16.473 -4.095 -6.043 1.00 10.10 H new ATOM 0 HG22 VAL A 29 17.375 -3.761 -4.546 1.00 10.10 H new ATOM 0 HG23 VAL A 29 15.744 -4.466 -4.462 1.00 10.10 H new ATOM 446 N THR A 30 17.238 -3.088 -2.098 1.00 44.24 N ATOM 447 CA THR A 30 18.499 -3.299 -1.398 1.00 71.43 C ATOM 448 C THR A 30 18.939 -4.756 -1.486 1.00 60.25 C ATOM 449 O THR A 30 18.151 -5.669 -1.241 1.00 74.43 O ATOM 450 CB THR A 30 18.393 -2.896 0.084 1.00 13.05 C ATOM 451 OG1 THR A 30 17.990 -1.526 0.192 1.00 44.12 O ATOM 452 CG2 THR A 30 19.722 -3.097 0.797 1.00 51.24 C ATOM 0 H THR A 30 16.561 -3.843 -1.985 1.00 44.24 H new ATOM 0 HA THR A 30 19.241 -2.667 -1.886 1.00 71.43 H new ATOM 0 HB THR A 30 17.645 -3.532 0.558 1.00 13.05 H new ATOM 0 HG1 THR A 30 17.923 -1.278 1.138 1.00 44.12 H new ATOM 0 HG21 THR A 30 19.622 -2.805 1.842 1.00 51.24 H new ATOM 0 HG22 THR A 30 20.011 -4.146 0.739 1.00 51.24 H new ATOM 0 HG23 THR A 30 20.487 -2.483 0.321 1.00 51.24 H new ATOM 460 N VAL A 31 20.204 -4.967 -1.838 1.00 34.44 N ATOM 461 CA VAL A 31 20.749 -6.314 -1.956 1.00 63.23 C ATOM 462 C VAL A 31 21.490 -6.721 -0.687 1.00 41.14 C ATOM 463 O VAL A 31 22.217 -5.922 -0.098 1.00 64.01 O ATOM 464 CB VAL A 31 21.708 -6.427 -3.156 1.00 64.52 C ATOM 465 CG1 VAL A 31 20.983 -6.100 -4.452 1.00 61.35 C ATOM 466 CG2 VAL A 31 22.911 -5.516 -2.964 1.00 23.30 C ATOM 0 H VAL A 31 20.870 -4.223 -2.046 1.00 34.44 H new ATOM 0 HA VAL A 31 19.904 -6.985 -2.110 1.00 63.23 H new ATOM 0 HB VAL A 31 22.065 -7.455 -3.217 1.00 64.52 H new ATOM 0 HG11 VAL A 31 21.677 -6.185 -5.288 1.00 61.35 H new ATOM 0 HG12 VAL A 31 20.157 -6.797 -4.593 1.00 61.35 H new ATOM 0 HG13 VAL A 31 20.595 -5.083 -4.405 1.00 61.35 H new ATOM 0 HG21 VAL A 31 23.578 -5.609 -3.821 1.00 23.30 H new ATOM 0 HG22 VAL A 31 22.575 -4.483 -2.876 1.00 23.30 H new ATOM 0 HG23 VAL A 31 23.444 -5.803 -2.057 1.00 23.30 H new ATOM 476 N ALA A 32 21.300 -7.969 -0.272 1.00 63.03 N ATOM 477 CA ALA A 32 21.953 -8.483 0.926 1.00 75.14 C ATOM 478 C ALA A 32 23.217 -9.259 0.572 1.00 0.33 C ATOM 479 O ALA A 32 23.603 -9.336 -0.593 1.00 65.35 O ATOM 480 CB ALA A 32 20.993 -9.364 1.712 1.00 21.11 C ATOM 0 H ALA A 32 20.700 -8.643 -0.747 1.00 63.03 H new ATOM 0 HA ALA A 32 22.241 -7.634 1.546 1.00 75.14 H new ATOM 0 HB1 ALA A 32 21.493 -9.741 2.604 1.00 21.11 H new ATOM 0 HB2 ALA A 32 20.120 -8.780 2.005 1.00 21.11 H new ATOM 0 HB3 ALA A 32 20.677 -10.202 1.091 1.00 21.11 H new ATOM 486 N ALA A 33 23.858 -9.831 1.587 1.00 53.35 N ATOM 487 CA ALA A 33 25.078 -10.601 1.382 1.00 31.22 C ATOM 488 C ALA A 33 24.762 -12.067 1.107 1.00 73.33 C ATOM 489 O ALA A 33 25.446 -12.723 0.321 1.00 40.34 O ATOM 490 CB ALA A 33 25.991 -10.475 2.593 1.00 50.33 C ATOM 0 H ALA A 33 23.552 -9.775 2.559 1.00 53.35 H new ATOM 0 HA ALA A 33 25.591 -10.197 0.509 1.00 31.22 H new ATOM 0 HB1 ALA A 33 26.899 -11.055 2.426 1.00 50.33 H new ATOM 0 HB2 ALA A 33 26.252 -9.428 2.744 1.00 50.33 H new ATOM 0 HB3 ALA A 33 25.477 -10.852 3.477 1.00 50.33 H new ATOM 496 N ASP A 34 23.722 -12.576 1.759 1.00 61.03 N ATOM 497 CA ASP A 34 23.315 -13.965 1.583 1.00 21.45 C ATOM 498 C ASP A 34 21.838 -14.145 1.920 1.00 70.44 C ATOM 499 O ASP A 34 21.221 -13.278 2.536 1.00 52.54 O ATOM 500 CB ASP A 34 24.166 -14.883 2.462 1.00 24.32 C ATOM 501 CG ASP A 34 25.547 -15.121 1.884 1.00 44.23 C ATOM 502 OD1 ASP A 34 26.533 -14.657 2.493 1.00 4.04 O ATOM 503 OD2 ASP A 34 25.642 -15.770 0.821 1.00 43.12 O ATOM 0 H ASP A 34 23.146 -12.047 2.414 1.00 61.03 H new ATOM 0 HA ASP A 34 23.466 -14.233 0.537 1.00 21.45 H new ATOM 0 HB2 ASP A 34 24.262 -14.444 3.455 1.00 24.32 H new ATOM 0 HB3 ASP A 34 23.657 -15.839 2.584 1.00 24.32 H new ATOM 508 N GLY A 35 21.276 -15.279 1.509 1.00 5.41 N ATOM 509 CA GLY A 35 19.876 -15.551 1.775 1.00 61.34 C ATOM 510 C GLY A 35 19.522 -15.391 3.240 1.00 71.22 C ATOM 511 O GLY A 35 18.407 -14.994 3.575 1.00 74.11 O ATOM 0 H GLY A 35 21.766 -16.013 0.997 1.00 5.41 H new ATOM 0 HA2 GLY A 35 19.259 -14.878 1.180 1.00 61.34 H new ATOM 0 HA3 GLY A 35 19.639 -16.566 1.456 1.00 61.34 H new ATOM 515 N GLU A 36 20.473 -15.703 4.115 1.00 43.35 N ATOM 516 CA GLU A 36 20.254 -15.593 5.552 1.00 71.30 C ATOM 517 C GLU A 36 20.332 -14.138 6.005 1.00 23.21 C ATOM 518 O GLU A 36 19.465 -13.656 6.733 1.00 72.14 O ATOM 519 CB GLU A 36 21.283 -16.432 6.313 1.00 41.13 C ATOM 520 CG GLU A 36 21.268 -16.199 7.814 1.00 4.40 C ATOM 521 CD GLU A 36 22.197 -17.138 8.560 1.00 54.35 C ATOM 522 OE1 GLU A 36 22.022 -18.368 8.435 1.00 3.20 O ATOM 523 OE2 GLU A 36 23.098 -16.642 9.267 1.00 0.45 O ATOM 0 H GLU A 36 21.402 -16.034 3.854 1.00 43.35 H new ATOM 0 HA GLU A 36 19.255 -15.970 5.771 1.00 71.30 H new ATOM 0 HB2 GLU A 36 21.096 -17.488 6.116 1.00 41.13 H new ATOM 0 HB3 GLU A 36 22.278 -16.207 5.929 1.00 41.13 H new ATOM 0 HG2 GLU A 36 21.557 -15.168 8.021 1.00 4.40 H new ATOM 0 HG3 GLU A 36 20.252 -16.327 8.188 1.00 4.40 H new ATOM 530 N ALA A 37 21.379 -13.445 5.570 1.00 50.44 N ATOM 531 CA ALA A 37 21.571 -12.045 5.928 1.00 12.05 C ATOM 532 C ALA A 37 20.388 -11.195 5.476 1.00 21.22 C ATOM 533 O ALA A 37 20.005 -10.239 6.148 1.00 5.45 O ATOM 534 CB ALA A 37 22.864 -11.518 5.324 1.00 12.43 C ATOM 0 H ALA A 37 22.107 -13.830 4.969 1.00 50.44 H new ATOM 0 HA ALA A 37 21.637 -11.979 7.014 1.00 12.05 H new ATOM 0 HB1 ALA A 37 22.994 -10.471 5.600 1.00 12.43 H new ATOM 0 HB2 ALA A 37 23.705 -12.100 5.701 1.00 12.43 H new ATOM 0 HB3 ALA A 37 22.820 -11.605 4.238 1.00 12.43 H new ATOM 540 N GLY A 38 19.813 -11.551 4.331 1.00 10.13 N ATOM 541 CA GLY A 38 18.680 -10.810 3.809 1.00 41.34 C ATOM 542 C GLY A 38 17.391 -11.129 4.540 1.00 62.13 C ATOM 543 O GLY A 38 16.638 -10.228 4.908 1.00 1.51 O ATOM 0 H GLY A 38 20.112 -12.339 3.756 1.00 10.13 H new ATOM 0 HA2 GLY A 38 18.882 -9.742 3.885 1.00 41.34 H new ATOM 0 HA3 GLY A 38 18.559 -11.036 2.750 1.00 41.34 H new ATOM 547 N PHE A 39 17.135 -12.416 4.749 1.00 31.21 N ATOM 548 CA PHE A 39 15.926 -12.853 5.439 1.00 43.34 C ATOM 549 C PHE A 39 15.937 -12.398 6.895 1.00 12.01 C ATOM 550 O PHE A 39 14.951 -11.855 7.394 1.00 20.13 O ATOM 551 CB PHE A 39 15.796 -14.376 5.369 1.00 53.41 C ATOM 552 CG PHE A 39 14.861 -14.848 4.293 1.00 73.43 C ATOM 553 CD1 PHE A 39 13.557 -14.384 4.236 1.00 13.32 C ATOM 554 CD2 PHE A 39 15.286 -15.758 3.338 1.00 72.11 C ATOM 555 CE1 PHE A 39 12.694 -14.817 3.247 1.00 52.50 C ATOM 556 CE2 PHE A 39 14.428 -16.194 2.346 1.00 33.12 C ATOM 557 CZ PHE A 39 13.130 -15.724 2.301 1.00 13.23 C ATOM 0 H PHE A 39 17.748 -13.175 4.451 1.00 31.21 H new ATOM 0 HA PHE A 39 15.069 -12.399 4.942 1.00 43.34 H new ATOM 0 HB2 PHE A 39 16.782 -14.809 5.199 1.00 53.41 H new ATOM 0 HB3 PHE A 39 15.446 -14.748 6.332 1.00 53.41 H new ATOM 0 HD1 PHE A 39 13.210 -13.675 4.973 1.00 13.32 H new ATOM 0 HD2 PHE A 39 16.299 -16.131 3.369 1.00 72.11 H new ATOM 0 HE1 PHE A 39 11.680 -14.447 3.214 1.00 52.50 H new ATOM 0 HE2 PHE A 39 14.772 -16.902 1.606 1.00 33.12 H new ATOM 0 HZ PHE A 39 12.457 -16.065 1.528 1.00 13.23 H new ATOM 567 N ASP A 40 17.058 -12.624 7.571 1.00 32.31 N ATOM 568 CA ASP A 40 17.198 -12.238 8.970 1.00 22.13 C ATOM 569 C ASP A 40 16.829 -10.771 9.169 1.00 64.23 C ATOM 570 O ASP A 40 16.229 -10.402 10.179 1.00 74.13 O ATOM 571 CB ASP A 40 18.630 -12.486 9.449 1.00 75.22 C ATOM 572 CG ASP A 40 18.864 -11.983 10.860 1.00 52.25 C ATOM 573 OD1 ASP A 40 18.122 -12.406 11.771 1.00 43.23 O ATOM 574 OD2 ASP A 40 19.788 -11.165 11.052 1.00 21.23 O ATOM 0 H ASP A 40 17.883 -13.073 7.173 1.00 32.31 H new ATOM 0 HA ASP A 40 16.515 -12.849 9.560 1.00 22.13 H new ATOM 0 HB2 ASP A 40 18.844 -13.554 9.407 1.00 75.22 H new ATOM 0 HB3 ASP A 40 19.327 -11.994 8.771 1.00 75.22 H new ATOM 579 N LEU A 41 17.194 -9.939 8.200 1.00 52.33 N ATOM 580 CA LEU A 41 16.902 -8.511 8.268 1.00 43.12 C ATOM 581 C LEU A 41 15.491 -8.219 7.769 1.00 14.03 C ATOM 582 O LEU A 41 14.816 -7.323 8.276 1.00 73.22 O ATOM 583 CB LEU A 41 17.920 -7.723 7.442 1.00 43.50 C ATOM 584 CG LEU A 41 19.385 -7.886 7.848 1.00 23.24 C ATOM 585 CD1 LEU A 41 20.305 -7.395 6.741 1.00 15.20 C ATOM 586 CD2 LEU A 41 19.665 -7.142 9.146 1.00 41.01 C ATOM 0 H LEU A 41 17.692 -10.228 7.358 1.00 52.33 H new ATOM 0 HA LEU A 41 16.970 -8.201 9.311 1.00 43.12 H new ATOM 0 HB2 LEU A 41 17.818 -8.019 6.398 1.00 43.50 H new ATOM 0 HB3 LEU A 41 17.664 -6.665 7.499 1.00 43.50 H new ATOM 0 HG LEU A 41 19.580 -8.946 8.010 1.00 23.24 H new ATOM 0 HD11 LEU A 41 21.343 -7.519 7.049 1.00 15.20 H new ATOM 0 HD12 LEU A 41 20.124 -7.972 5.834 1.00 15.20 H new ATOM 0 HD13 LEU A 41 20.108 -6.341 6.545 1.00 15.20 H new ATOM 0 HD21 LEU A 41 20.712 -7.269 9.420 1.00 41.01 H new ATOM 0 HD22 LEU A 41 19.451 -6.082 9.011 1.00 41.01 H new ATOM 0 HD23 LEU A 41 19.032 -7.542 9.938 1.00 41.01 H new ATOM 598 N ALA A 42 15.050 -8.983 6.775 1.00 40.31 N ATOM 599 CA ALA A 42 13.717 -8.809 6.211 1.00 42.21 C ATOM 600 C ALA A 42 12.647 -8.897 7.294 1.00 42.42 C ATOM 601 O ALA A 42 11.559 -8.340 7.151 1.00 70.12 O ATOM 602 CB ALA A 42 13.462 -9.848 5.129 1.00 44.31 C ATOM 0 H ALA A 42 15.596 -9.728 6.344 1.00 40.31 H new ATOM 0 HA ALA A 42 13.665 -7.816 5.765 1.00 42.21 H new ATOM 0 HB1 ALA A 42 12.463 -9.706 4.717 1.00 44.31 H new ATOM 0 HB2 ALA A 42 14.201 -9.736 4.336 1.00 44.31 H new ATOM 0 HB3 ALA A 42 13.539 -10.847 5.558 1.00 44.31 H new ATOM 608 N ALA A 43 12.964 -9.600 8.376 1.00 14.33 N ATOM 609 CA ALA A 43 12.029 -9.759 9.484 1.00 44.02 C ATOM 610 C ALA A 43 12.113 -8.579 10.447 1.00 61.45 C ATOM 611 O ALA A 43 11.131 -8.226 11.100 1.00 73.30 O ATOM 612 CB ALA A 43 12.300 -11.063 10.219 1.00 22.12 C ATOM 0 H ALA A 43 13.860 -10.068 8.509 1.00 14.33 H new ATOM 0 HA ALA A 43 11.019 -9.788 9.074 1.00 44.02 H new ATOM 0 HB1 ALA A 43 11.595 -11.169 11.044 1.00 22.12 H new ATOM 0 HB2 ALA A 43 12.182 -11.900 9.531 1.00 22.12 H new ATOM 0 HB3 ALA A 43 13.317 -11.056 10.610 1.00 22.12 H new ATOM 618 N THR A 44 13.293 -7.972 10.531 1.00 70.43 N ATOM 619 CA THR A 44 13.505 -6.834 11.415 1.00 4.31 C ATOM 620 C THR A 44 13.077 -5.532 10.748 1.00 54.11 C ATOM 621 O THR A 44 12.691 -4.575 11.420 1.00 12.30 O ATOM 622 CB THR A 44 14.982 -6.719 11.838 1.00 41.51 C ATOM 623 OG1 THR A 44 15.069 -6.320 13.211 1.00 61.15 O ATOM 624 CG2 THR A 44 15.718 -5.713 10.965 1.00 20.11 C ATOM 0 H THR A 44 14.116 -8.250 9.997 1.00 70.43 H new ATOM 0 HA THR A 44 12.893 -7.004 12.301 1.00 4.31 H new ATOM 0 HB THR A 44 15.450 -7.696 11.713 1.00 41.51 H new ATOM 0 HG1 THR A 44 16.011 -6.251 13.473 1.00 61.15 H new ATOM 0 HG21 THR A 44 16.759 -5.649 11.282 1.00 20.11 H new ATOM 0 HG22 THR A 44 15.675 -6.034 9.924 1.00 20.11 H new ATOM 0 HG23 THR A 44 15.248 -4.734 11.062 1.00 20.11 H new ATOM 632 N THR A 45 13.146 -5.502 9.421 1.00 54.35 N ATOM 633 CA THR A 45 12.765 -4.317 8.662 1.00 11.22 C ATOM 634 C THR A 45 11.375 -4.475 8.057 1.00 52.41 C ATOM 635 O THR A 45 10.613 -3.512 7.969 1.00 32.32 O ATOM 636 CB THR A 45 13.773 -4.023 7.535 1.00 31.40 C ATOM 637 OG1 THR A 45 14.965 -3.449 8.082 1.00 64.25 O ATOM 638 CG2 THR A 45 13.174 -3.077 6.506 1.00 14.31 C ATOM 0 H THR A 45 13.462 -6.285 8.849 1.00 54.35 H new ATOM 0 HA THR A 45 12.761 -3.482 9.362 1.00 11.22 H new ATOM 0 HB THR A 45 14.017 -4.964 7.041 1.00 31.40 H new ATOM 0 HG1 THR A 45 15.602 -3.267 7.360 1.00 64.25 H new ATOM 0 HG21 THR A 45 13.904 -2.884 5.720 1.00 14.31 H new ATOM 0 HG22 THR A 45 12.283 -3.530 6.070 1.00 14.31 H new ATOM 0 HG23 THR A 45 12.904 -2.138 6.989 1.00 14.31 H new ATOM 646 N ALA A 46 11.051 -5.695 7.641 1.00 15.50 N ATOM 647 CA ALA A 46 9.750 -5.978 7.046 1.00 24.53 C ATOM 648 C ALA A 46 9.568 -5.218 5.737 1.00 33.31 C ATOM 649 O ALA A 46 8.855 -4.215 5.684 1.00 24.44 O ATOM 650 CB ALA A 46 8.636 -5.629 8.022 1.00 42.23 C ATOM 0 H ALA A 46 11.671 -6.503 7.705 1.00 15.50 H new ATOM 0 HA ALA A 46 9.703 -7.044 6.825 1.00 24.53 H new ATOM 0 HB1 ALA A 46 7.671 -5.845 7.565 1.00 42.23 H new ATOM 0 HB2 ALA A 46 8.749 -6.222 8.930 1.00 42.23 H new ATOM 0 HB3 ALA A 46 8.690 -4.569 8.272 1.00 42.23 H new ATOM 656 N TYR A 47 10.216 -5.701 4.683 1.00 74.32 N ATOM 657 CA TYR A 47 10.127 -5.065 3.374 1.00 71.11 C ATOM 658 C TYR A 47 8.801 -5.396 2.696 1.00 71.10 C ATOM 659 O TYR A 47 8.017 -6.201 3.200 1.00 41.13 O ATOM 660 CB TYR A 47 11.291 -5.510 2.487 1.00 30.52 C ATOM 661 CG TYR A 47 12.644 -5.063 2.993 1.00 15.43 C ATOM 662 CD1 TYR A 47 13.262 -5.716 4.052 1.00 45.41 C ATOM 663 CD2 TYR A 47 13.303 -3.987 2.412 1.00 40.42 C ATOM 664 CE1 TYR A 47 14.498 -5.309 4.518 1.00 73.22 C ATOM 665 CE2 TYR A 47 14.539 -3.574 2.870 1.00 23.13 C ATOM 666 CZ TYR A 47 15.132 -4.238 3.924 1.00 62.23 C ATOM 667 OH TYR A 47 16.363 -3.831 4.384 1.00 24.21 O ATOM 0 H TYR A 47 10.809 -6.531 4.709 1.00 74.32 H new ATOM 0 HA TYR A 47 10.181 -3.986 3.519 1.00 71.11 H new ATOM 0 HB2 TYR A 47 11.283 -6.597 2.410 1.00 30.52 H new ATOM 0 HB3 TYR A 47 11.141 -5.118 1.481 1.00 30.52 H new ATOM 0 HD1 TYR A 47 12.769 -6.556 4.519 1.00 45.41 H new ATOM 0 HD2 TYR A 47 12.841 -3.464 1.588 1.00 40.42 H new ATOM 0 HE1 TYR A 47 14.965 -5.827 5.343 1.00 73.22 H new ATOM 0 HE2 TYR A 47 15.038 -2.736 2.406 1.00 23.13 H new ATOM 0 HH TYR A 47 16.672 -3.065 3.857 1.00 24.21 H new ATOM 677 N ASP A 48 8.557 -4.770 1.550 1.00 5.21 N ATOM 678 CA ASP A 48 7.328 -4.998 0.800 1.00 14.23 C ATOM 679 C ASP A 48 7.470 -6.203 -0.124 1.00 44.45 C ATOM 680 O ASP A 48 6.518 -6.955 -0.333 1.00 32.21 O ATOM 681 CB ASP A 48 6.963 -3.755 -0.013 1.00 63.04 C ATOM 682 CG ASP A 48 5.985 -2.853 0.714 1.00 61.35 C ATOM 683 OD1 ASP A 48 4.802 -2.819 0.315 1.00 2.14 O ATOM 684 OD2 ASP A 48 6.403 -2.181 1.680 1.00 33.31 O ATOM 0 H ASP A 48 9.195 -4.100 1.120 1.00 5.21 H new ATOM 0 HA ASP A 48 6.529 -5.203 1.513 1.00 14.23 H new ATOM 0 HB2 ASP A 48 7.870 -3.194 -0.240 1.00 63.04 H new ATOM 0 HB3 ASP A 48 6.531 -4.062 -0.965 1.00 63.04 H new ATOM 689 N LEU A 49 8.665 -6.379 -0.677 1.00 64.13 N ATOM 690 CA LEU A 49 8.933 -7.492 -1.581 1.00 62.24 C ATOM 691 C LEU A 49 10.342 -8.038 -1.370 1.00 73.42 C ATOM 692 O LEU A 49 11.327 -7.311 -1.498 1.00 33.00 O ATOM 693 CB LEU A 49 8.759 -7.048 -3.035 1.00 32.03 C ATOM 694 CG LEU A 49 8.072 -8.049 -3.965 1.00 3.03 C ATOM 695 CD1 LEU A 49 7.820 -7.425 -5.328 1.00 43.43 C ATOM 696 CD2 LEU A 49 8.910 -9.312 -4.101 1.00 2.11 C ATOM 0 H LEU A 49 9.464 -5.765 -0.515 1.00 64.13 H new ATOM 0 HA LEU A 49 8.219 -8.285 -1.362 1.00 62.24 H new ATOM 0 HB2 LEU A 49 8.186 -6.121 -3.045 1.00 32.03 H new ATOM 0 HB3 LEU A 49 9.743 -6.819 -3.444 1.00 32.03 H new ATOM 0 HG LEU A 49 7.110 -8.320 -3.529 1.00 3.03 H new ATOM 0 HD11 LEU A 49 7.331 -8.152 -5.976 1.00 43.43 H new ATOM 0 HD12 LEU A 49 7.179 -6.550 -5.215 1.00 43.43 H new ATOM 0 HD13 LEU A 49 8.769 -7.124 -5.772 1.00 43.43 H new ATOM 0 HD21 LEU A 49 8.406 -10.013 -4.766 1.00 2.11 H new ATOM 0 HD22 LEU A 49 9.886 -9.058 -4.514 1.00 2.11 H new ATOM 0 HD23 LEU A 49 9.039 -9.771 -3.121 1.00 2.11 H new ATOM 708 N VAL A 50 10.430 -9.325 -1.048 1.00 72.11 N ATOM 709 CA VAL A 50 11.718 -9.970 -0.823 1.00 32.24 C ATOM 710 C VAL A 50 12.002 -11.019 -1.892 1.00 51.22 C ATOM 711 O VAL A 50 11.083 -11.636 -2.432 1.00 32.44 O ATOM 712 CB VAL A 50 11.776 -10.638 0.564 1.00 73.41 C ATOM 713 CG1 VAL A 50 13.181 -11.142 0.856 1.00 71.33 C ATOM 714 CG2 VAL A 50 11.313 -9.669 1.642 1.00 64.34 C ATOM 0 H VAL A 50 9.625 -9.941 -0.937 1.00 72.11 H new ATOM 0 HA VAL A 50 12.476 -9.189 -0.874 1.00 32.24 H new ATOM 0 HB VAL A 50 11.102 -11.494 0.564 1.00 73.41 H new ATOM 0 HG11 VAL A 50 13.202 -11.611 1.840 1.00 71.33 H new ATOM 0 HG12 VAL A 50 13.470 -11.872 0.100 1.00 71.33 H new ATOM 0 HG13 VAL A 50 13.879 -10.305 0.838 1.00 71.33 H new ATOM 0 HG21 VAL A 50 11.360 -10.158 2.615 1.00 64.34 H new ATOM 0 HG22 VAL A 50 11.960 -8.792 1.645 1.00 64.34 H new ATOM 0 HG23 VAL A 50 10.287 -9.363 1.439 1.00 64.34 H new ATOM 724 N LEU A 51 13.280 -11.216 -2.195 1.00 4.33 N ATOM 725 CA LEU A 51 13.687 -12.191 -3.200 1.00 62.04 C ATOM 726 C LEU A 51 14.907 -12.978 -2.733 1.00 64.24 C ATOM 727 O LEU A 51 16.011 -12.439 -2.645 1.00 23.53 O ATOM 728 CB LEU A 51 13.995 -11.489 -4.524 1.00 72.55 C ATOM 729 CG LEU A 51 13.000 -10.414 -4.961 1.00 75.04 C ATOM 730 CD1 LEU A 51 13.604 -9.536 -6.046 1.00 61.32 C ATOM 731 CD2 LEU A 51 11.706 -11.051 -5.447 1.00 54.43 C ATOM 0 H LEU A 51 14.053 -10.713 -1.759 1.00 4.33 H new ATOM 0 HA LEU A 51 12.863 -12.889 -3.348 1.00 62.04 H new ATOM 0 HB2 LEU A 51 14.982 -11.033 -4.449 1.00 72.55 H new ATOM 0 HB3 LEU A 51 14.051 -12.244 -5.308 1.00 72.55 H new ATOM 0 HG LEU A 51 12.772 -9.786 -4.100 1.00 75.04 H new ATOM 0 HD11 LEU A 51 12.881 -8.777 -6.344 1.00 61.32 H new ATOM 0 HD12 LEU A 51 14.502 -9.051 -5.664 1.00 61.32 H new ATOM 0 HD13 LEU A 51 13.862 -10.150 -6.909 1.00 61.32 H new ATOM 0 HD21 LEU A 51 11.009 -10.271 -5.754 1.00 54.43 H new ATOM 0 HD22 LEU A 51 11.917 -11.703 -6.295 1.00 54.43 H new ATOM 0 HD23 LEU A 51 11.263 -11.636 -4.641 1.00 54.43 H new ATOM 743 N THR A 52 14.702 -14.258 -2.437 1.00 50.13 N ATOM 744 CA THR A 52 15.785 -15.120 -1.981 1.00 33.04 C ATOM 745 C THR A 52 16.162 -16.141 -3.048 1.00 10.02 C ATOM 746 O THR A 52 15.399 -16.387 -3.982 1.00 62.03 O ATOM 747 CB THR A 52 15.403 -15.864 -0.687 1.00 11.11 C ATOM 748 OG1 THR A 52 16.542 -16.557 -0.166 1.00 63.41 O ATOM 749 CG2 THR A 52 14.275 -16.852 -0.944 1.00 0.14 C ATOM 0 H THR A 52 13.795 -14.720 -2.505 1.00 50.13 H new ATOM 0 HA THR A 52 16.640 -14.474 -1.782 1.00 33.04 H new ATOM 0 HB THR A 52 15.062 -15.129 0.042 1.00 11.11 H new ATOM 0 HG1 THR A 52 16.648 -16.343 0.784 1.00 63.41 H new ATOM 0 HG21 THR A 52 14.022 -17.365 -0.016 1.00 0.14 H new ATOM 0 HG22 THR A 52 13.400 -16.317 -1.313 1.00 0.14 H new ATOM 0 HG23 THR A 52 14.594 -17.582 -1.688 1.00 0.14 H new ATOM 757 N ASP A 53 17.342 -16.733 -2.903 1.00 3.15 N ATOM 758 CA ASP A 53 17.820 -17.729 -3.854 1.00 22.52 C ATOM 759 C ASP A 53 17.937 -19.100 -3.193 1.00 54.51 C ATOM 760 O ASP A 53 18.187 -19.200 -1.992 1.00 62.15 O ATOM 761 CB ASP A 53 19.174 -17.310 -4.428 1.00 3.32 C ATOM 762 CG ASP A 53 20.327 -17.660 -3.507 1.00 50.34 C ATOM 763 OD1 ASP A 53 20.260 -17.306 -2.311 1.00 71.42 O ATOM 764 OD2 ASP A 53 21.296 -18.288 -3.983 1.00 13.21 O ATOM 0 H ASP A 53 17.985 -16.540 -2.135 1.00 3.15 H new ATOM 0 HA ASP A 53 17.095 -17.797 -4.665 1.00 22.52 H new ATOM 0 HB2 ASP A 53 19.323 -17.796 -5.392 1.00 3.32 H new ATOM 0 HB3 ASP A 53 19.171 -16.235 -4.610 1.00 3.32 H new ATOM 895 N LEU A 62 17.160 -19.881 5.880 1.00 75.51 N ATOM 896 CA LEU A 62 15.907 -19.955 5.135 1.00 1.04 C ATOM 897 C LEU A 62 14.760 -20.390 6.041 1.00 32.14 C ATOM 898 O LEU A 62 13.624 -19.948 5.875 1.00 13.32 O ATOM 899 CB LEU A 62 16.044 -20.929 3.963 1.00 10.55 C ATOM 900 CG LEU A 62 16.722 -20.377 2.709 1.00 73.35 C ATOM 901 CD1 LEU A 62 15.957 -19.177 2.173 1.00 41.15 C ATOM 902 CD2 LEU A 62 18.167 -20.003 3.004 1.00 71.04 C ATOM 0 HA LEU A 62 15.683 -18.961 4.749 1.00 1.04 H new ATOM 0 HB2 LEU A 62 16.606 -21.799 4.303 1.00 10.55 H new ATOM 0 HB3 LEU A 62 15.049 -21.280 3.689 1.00 10.55 H new ATOM 0 HG LEU A 62 16.718 -21.155 1.945 1.00 73.35 H new ATOM 0 HD11 LEU A 62 16.454 -18.798 1.280 1.00 41.15 H new ATOM 0 HD12 LEU A 62 14.940 -19.477 1.922 1.00 41.15 H new ATOM 0 HD13 LEU A 62 15.928 -18.395 2.932 1.00 41.15 H new ATOM 0 HD21 LEU A 62 18.634 -19.612 2.100 1.00 71.04 H new ATOM 0 HD22 LEU A 62 18.194 -19.242 3.784 1.00 71.04 H new ATOM 0 HD23 LEU A 62 18.710 -20.886 3.340 1.00 71.04 H new ATOM 914 N GLU A 63 15.066 -21.258 7.001 1.00 44.41 N ATOM 915 CA GLU A 63 14.060 -21.751 7.934 1.00 2.20 C ATOM 916 C GLU A 63 13.291 -20.594 8.566 1.00 71.21 C ATOM 917 O GLU A 63 12.111 -20.725 8.895 1.00 1.32 O ATOM 918 CB GLU A 63 14.717 -22.598 9.026 1.00 11.20 C ATOM 919 CG GLU A 63 15.378 -23.861 8.501 1.00 33.53 C ATOM 920 CD GLU A 63 15.718 -24.844 9.605 1.00 13.34 C ATOM 921 OE1 GLU A 63 15.049 -25.895 9.690 1.00 72.00 O ATOM 922 OE2 GLU A 63 16.652 -24.561 10.385 1.00 74.44 O ATOM 0 H GLU A 63 16.002 -21.634 7.152 1.00 44.41 H new ATOM 0 HA GLU A 63 13.357 -22.371 7.377 1.00 2.20 H new ATOM 0 HB2 GLU A 63 15.464 -21.995 9.542 1.00 11.20 H new ATOM 0 HB3 GLU A 63 13.963 -22.872 9.764 1.00 11.20 H new ATOM 0 HG2 GLU A 63 14.714 -24.342 7.783 1.00 33.53 H new ATOM 0 HG3 GLU A 63 16.288 -23.594 7.964 1.00 33.53 H new ATOM 929 N LEU A 64 13.967 -19.463 8.733 1.00 60.03 N ATOM 930 CA LEU A 64 13.348 -18.282 9.326 1.00 65.34 C ATOM 931 C LEU A 64 12.017 -17.968 8.651 1.00 30.30 C ATOM 932 O LEU A 64 11.091 -17.465 9.288 1.00 71.31 O ATOM 933 CB LEU A 64 14.287 -17.080 9.212 1.00 12.54 C ATOM 934 CG LEU A 64 14.374 -16.178 10.444 1.00 0.13 C ATOM 935 CD1 LEU A 64 13.030 -15.522 10.722 1.00 22.43 C ATOM 936 CD2 LEU A 64 14.842 -16.973 11.655 1.00 44.44 C ATOM 0 H LEU A 64 14.944 -19.338 8.466 1.00 60.03 H new ATOM 0 HA LEU A 64 13.159 -18.490 10.379 1.00 65.34 H new ATOM 0 HB2 LEU A 64 15.288 -17.446 8.983 1.00 12.54 H new ATOM 0 HB3 LEU A 64 13.968 -16.474 8.364 1.00 12.54 H new ATOM 0 HG LEU A 64 15.104 -15.393 10.245 1.00 0.13 H new ATOM 0 HD11 LEU A 64 13.112 -14.884 11.602 1.00 22.43 H new ATOM 0 HD12 LEU A 64 12.735 -14.919 9.863 1.00 22.43 H new ATOM 0 HD13 LEU A 64 12.279 -16.292 10.900 1.00 22.43 H new ATOM 0 HD21 LEU A 64 14.898 -16.315 12.522 1.00 44.44 H new ATOM 0 HD22 LEU A 64 14.136 -17.779 11.856 1.00 44.44 H new ATOM 0 HD23 LEU A 64 15.827 -17.395 11.455 1.00 44.44 H new ATOM 948 N ILE A 65 11.928 -18.270 7.360 1.00 20.11 N ATOM 949 CA ILE A 65 10.709 -18.023 6.601 1.00 73.03 C ATOM 950 C ILE A 65 9.489 -18.592 7.318 1.00 24.11 C ATOM 951 O ILE A 65 8.405 -18.012 7.275 1.00 33.43 O ATOM 952 CB ILE A 65 10.791 -18.634 5.189 1.00 2.41 C ATOM 953 CG1 ILE A 65 11.981 -18.049 4.426 1.00 41.45 C ATOM 954 CG2 ILE A 65 9.496 -18.389 4.430 1.00 73.22 C ATOM 955 CD1 ILE A 65 12.452 -18.920 3.282 1.00 4.41 C ATOM 0 H ILE A 65 12.686 -18.686 6.818 1.00 20.11 H new ATOM 0 HA ILE A 65 10.605 -16.941 6.515 1.00 73.03 H new ATOM 0 HB ILE A 65 10.936 -19.710 5.282 1.00 2.41 H new ATOM 0 HG12 ILE A 65 11.706 -17.069 4.037 1.00 41.45 H new ATOM 0 HG13 ILE A 65 12.808 -17.896 5.120 1.00 41.45 H new ATOM 0 HG21 ILE A 65 9.569 -18.826 3.434 1.00 73.22 H new ATOM 0 HG22 ILE A 65 8.667 -18.848 4.968 1.00 73.22 H new ATOM 0 HG23 ILE A 65 9.323 -17.316 4.343 1.00 73.22 H new ATOM 0 HD11 ILE A 65 13.298 -18.443 2.786 1.00 4.41 H new ATOM 0 HD12 ILE A 65 12.758 -19.893 3.667 1.00 4.41 H new ATOM 0 HD13 ILE A 65 11.640 -19.052 2.567 1.00 4.41 H new ATOM 967 N ALA A 66 9.676 -19.730 7.979 1.00 70.14 N ATOM 968 CA ALA A 66 8.592 -20.376 8.709 1.00 5.10 C ATOM 969 C ALA A 66 8.047 -19.463 9.802 1.00 74.22 C ATOM 970 O ALA A 66 6.836 -19.378 10.005 1.00 31.34 O ATOM 971 CB ALA A 66 9.069 -21.691 9.307 1.00 64.32 C ATOM 0 H ALA A 66 10.568 -20.223 8.024 1.00 70.14 H new ATOM 0 HA ALA A 66 7.785 -20.581 8.006 1.00 5.10 H new ATOM 0 HB1 ALA A 66 8.249 -22.163 9.849 1.00 64.32 H new ATOM 0 HB2 ALA A 66 9.405 -22.353 8.509 1.00 64.32 H new ATOM 0 HB3 ALA A 66 9.895 -21.501 9.992 1.00 64.32 H new ATOM 977 N ALA A 67 8.948 -18.783 10.503 1.00 54.32 N ATOM 978 CA ALA A 67 8.556 -17.875 11.574 1.00 33.30 C ATOM 979 C ALA A 67 7.740 -16.706 11.032 1.00 21.23 C ATOM 980 O ALA A 67 6.827 -16.212 11.696 1.00 63.42 O ATOM 981 CB ALA A 67 9.786 -17.367 12.311 1.00 13.42 C ATOM 0 H ALA A 67 9.954 -18.844 10.349 1.00 54.32 H new ATOM 0 HA ALA A 67 7.929 -18.427 12.274 1.00 33.30 H new ATOM 0 HB1 ALA A 67 9.479 -16.690 13.108 1.00 13.42 H new ATOM 0 HB2 ALA A 67 10.327 -18.210 12.740 1.00 13.42 H new ATOM 0 HB3 ALA A 67 10.434 -16.836 11.614 1.00 13.42 H new ATOM 987 N LEU A 68 8.075 -16.267 9.824 1.00 32.01 N ATOM 988 CA LEU A 68 7.373 -15.154 9.193 1.00 64.50 C ATOM 989 C LEU A 68 6.043 -15.613 8.604 1.00 21.13 C ATOM 990 O LEU A 68 5.061 -14.871 8.611 1.00 1.43 O ATOM 991 CB LEU A 68 8.242 -14.534 8.097 1.00 0.14 C ATOM 992 CG LEU A 68 9.233 -13.462 8.553 1.00 52.01 C ATOM 993 CD1 LEU A 68 10.271 -14.059 9.490 1.00 44.41 C ATOM 994 CD2 LEU A 68 9.905 -12.813 7.352 1.00 4.42 C ATOM 0 H LEU A 68 8.828 -16.664 9.262 1.00 32.01 H new ATOM 0 HA LEU A 68 7.171 -14.403 9.957 1.00 64.50 H new ATOM 0 HB2 LEU A 68 8.800 -15.333 7.609 1.00 0.14 H new ATOM 0 HB3 LEU A 68 7.586 -14.097 7.344 1.00 0.14 H new ATOM 0 HG LEU A 68 8.684 -12.693 9.096 1.00 52.01 H new ATOM 0 HD11 LEU A 68 10.968 -13.282 9.804 1.00 44.41 H new ATOM 0 HD12 LEU A 68 9.774 -14.476 10.366 1.00 44.41 H new ATOM 0 HD13 LEU A 68 10.817 -14.848 8.973 1.00 44.41 H new ATOM 0 HD21 LEU A 68 10.607 -12.053 7.695 1.00 4.42 H new ATOM 0 HD22 LEU A 68 10.441 -13.571 6.781 1.00 4.42 H new ATOM 0 HD23 LEU A 68 9.149 -12.350 6.718 1.00 4.42 H new ATOM 1006 N ARG A 69 6.018 -16.841 8.098 1.00 62.44 N ATOM 1007 CA ARG A 69 4.808 -17.400 7.506 1.00 2.51 C ATOM 1008 C ARG A 69 3.685 -17.476 8.536 1.00 51.10 C ATOM 1009 O ARG A 69 2.573 -17.008 8.291 1.00 4.12 O ATOM 1010 CB ARG A 69 5.088 -18.792 6.937 1.00 4.40 C ATOM 1011 CG ARG A 69 3.850 -19.490 6.399 1.00 23.21 C ATOM 1012 CD ARG A 69 3.278 -18.761 5.194 1.00 45.53 C ATOM 1013 NE ARG A 69 1.876 -19.097 4.965 1.00 70.33 N ATOM 1014 CZ ARG A 69 1.467 -20.280 4.520 1.00 24.51 C ATOM 1015 NH1 ARG A 69 2.350 -21.235 4.259 1.00 53.14 N ATOM 1016 NH2 ARG A 69 0.174 -20.511 4.337 1.00 75.01 N ATOM 0 H ARG A 69 6.822 -17.469 8.086 1.00 62.44 H new ATOM 0 HA ARG A 69 4.492 -16.742 6.697 1.00 2.51 H new ATOM 0 HB2 ARG A 69 5.823 -18.707 6.137 1.00 4.40 H new ATOM 0 HB3 ARG A 69 5.534 -19.411 7.716 1.00 4.40 H new ATOM 0 HG2 ARG A 69 4.100 -20.514 6.121 1.00 23.21 H new ATOM 0 HG3 ARG A 69 3.095 -19.548 7.183 1.00 23.21 H new ATOM 0 HD2 ARG A 69 3.373 -17.685 5.343 1.00 45.53 H new ATOM 0 HD3 ARG A 69 3.860 -19.013 4.308 1.00 45.53 H new ATOM 0 HE ARG A 69 1.172 -18.384 5.157 1.00 70.33 H new ATOM 0 HH11 ARG A 69 3.345 -21.062 4.400 1.00 53.14 H new ATOM 0 HH12 ARG A 69 2.034 -22.143 3.917 1.00 53.14 H new ATOM 0 HH21 ARG A 69 -0.508 -19.780 4.538 1.00 75.01 H new ATOM 0 HH22 ARG A 69 -0.138 -21.420 3.995 1.00 75.01 H new ATOM 1030 N GLN A 70 3.984 -18.069 9.687 1.00 31.31 N ATOM 1031 CA GLN A 70 2.999 -18.208 10.753 1.00 14.20 C ATOM 1032 C GLN A 70 2.429 -16.849 11.148 1.00 24.21 C ATOM 1033 O GLN A 70 1.251 -16.733 11.486 1.00 13.44 O ATOM 1034 CB GLN A 70 3.627 -18.885 11.972 1.00 0.23 C ATOM 1035 CG GLN A 70 4.844 -18.153 12.514 1.00 23.34 C ATOM 1036 CD GLN A 70 5.382 -18.778 13.787 1.00 15.41 C ATOM 1037 OE1 GLN A 70 5.015 -18.376 14.892 1.00 41.01 O ATOM 1038 NE2 GLN A 70 6.255 -19.766 13.639 1.00 65.33 N ATOM 0 H GLN A 70 4.900 -18.461 9.905 1.00 31.31 H new ATOM 0 HA GLN A 70 2.184 -18.829 10.381 1.00 14.20 H new ATOM 0 HB2 GLN A 70 2.878 -18.962 12.761 1.00 0.23 H new ATOM 0 HB3 GLN A 70 3.914 -19.902 11.705 1.00 0.23 H new ATOM 0 HG2 GLN A 70 5.628 -18.149 11.757 1.00 23.34 H new ATOM 0 HG3 GLN A 70 4.581 -17.113 12.707 1.00 23.34 H new ATOM 0 HE21 GLN A 70 6.531 -20.067 12.704 1.00 65.33 H new ATOM 0 HE22 GLN A 70 6.650 -20.225 14.460 1.00 65.33 H new ATOM 1047 N LEU A 71 3.273 -15.824 11.103 1.00 23.25 N ATOM 1048 CA LEU A 71 2.854 -14.472 11.457 1.00 25.32 C ATOM 1049 C LEU A 71 1.946 -13.885 10.382 1.00 42.32 C ATOM 1050 O LEU A 71 2.046 -14.242 9.208 1.00 50.30 O ATOM 1051 CB LEU A 71 4.077 -13.574 11.655 1.00 34.04 C ATOM 1052 CG LEU A 71 4.528 -13.364 13.101 1.00 14.52 C ATOM 1053 CD1 LEU A 71 3.531 -12.492 13.849 1.00 3.55 C ATOM 1054 CD2 LEU A 71 4.703 -14.701 13.805 1.00 33.13 C ATOM 0 H LEU A 71 4.251 -15.903 10.825 1.00 23.25 H new ATOM 0 HA LEU A 71 2.294 -14.524 12.391 1.00 25.32 H new ATOM 0 HB2 LEU A 71 4.909 -13.999 11.094 1.00 34.04 H new ATOM 0 HB3 LEU A 71 3.862 -12.599 11.217 1.00 34.04 H new ATOM 0 HG LEU A 71 5.491 -12.853 13.091 1.00 14.52 H new ATOM 0 HD11 LEU A 71 3.868 -12.353 14.876 1.00 3.55 H new ATOM 0 HD12 LEU A 71 3.456 -11.522 13.358 1.00 3.55 H new ATOM 0 HD13 LEU A 71 2.554 -12.975 13.850 1.00 3.55 H new ATOM 0 HD21 LEU A 71 5.024 -14.532 14.833 1.00 33.13 H new ATOM 0 HD22 LEU A 71 3.755 -15.239 13.805 1.00 33.13 H new ATOM 0 HD23 LEU A 71 5.455 -15.292 13.282 1.00 33.13 H new ATOM 1066 N SER A 72 1.062 -12.980 10.791 1.00 61.34 N ATOM 1067 CA SER A 72 0.135 -12.344 9.862 1.00 12.14 C ATOM 1068 C SER A 72 0.681 -11.003 9.382 1.00 5.24 C ATOM 1069 O SER A 72 -0.072 -10.053 9.170 1.00 22.22 O ATOM 1070 CB SER A 72 -1.228 -12.143 10.527 1.00 33.34 C ATOM 1071 OG SER A 72 -1.926 -13.371 10.641 1.00 70.40 O ATOM 0 H SER A 72 0.968 -12.671 11.759 1.00 61.34 H new ATOM 0 HA SER A 72 0.018 -12.999 8.999 1.00 12.14 H new ATOM 0 HB2 SER A 72 -1.093 -11.705 11.516 1.00 33.34 H new ATOM 0 HB3 SER A 72 -1.820 -11.437 9.944 1.00 33.34 H new ATOM 0 HG SER A 72 -2.793 -13.216 11.071 1.00 70.40 H new ATOM 1077 N ALA A 73 1.998 -10.934 9.213 1.00 11.05 N ATOM 1078 CA ALA A 73 2.647 -9.711 8.757 1.00 75.12 C ATOM 1079 C ALA A 73 3.406 -9.945 7.455 1.00 33.43 C ATOM 1080 O ALA A 73 3.513 -9.049 6.618 1.00 62.21 O ATOM 1081 CB ALA A 73 3.586 -9.180 9.830 1.00 54.55 C ATOM 0 H ALA A 73 2.636 -11.711 9.385 1.00 11.05 H new ATOM 0 HA ALA A 73 1.873 -8.967 8.567 1.00 75.12 H new ATOM 0 HB1 ALA A 73 4.064 -8.267 9.476 1.00 54.55 H new ATOM 0 HB2 ALA A 73 3.019 -8.965 10.736 1.00 54.55 H new ATOM 0 HB3 ALA A 73 4.349 -9.927 10.048 1.00 54.55 H new ATOM 1087 N TYR A 74 3.931 -11.154 7.292 1.00 61.41 N ATOM 1088 CA TYR A 74 4.683 -11.505 6.093 1.00 24.32 C ATOM 1089 C TYR A 74 3.928 -12.535 5.258 1.00 42.41 C ATOM 1090 O TYR A 74 4.089 -12.600 4.040 1.00 72.24 O ATOM 1091 CB TYR A 74 6.061 -12.051 6.472 1.00 62.21 C ATOM 1092 CG TYR A 74 6.768 -11.231 7.527 1.00 45.22 C ATOM 1093 CD1 TYR A 74 6.464 -11.384 8.874 1.00 43.32 C ATOM 1094 CD2 TYR A 74 7.742 -10.303 7.176 1.00 20.33 C ATOM 1095 CE1 TYR A 74 7.107 -10.636 9.841 1.00 45.43 C ATOM 1096 CE2 TYR A 74 8.391 -9.552 8.137 1.00 45.04 C ATOM 1097 CZ TYR A 74 8.070 -9.721 9.467 1.00 24.43 C ATOM 1098 OH TYR A 74 8.714 -8.975 10.428 1.00 64.44 O ATOM 0 H TYR A 74 3.850 -11.907 7.975 1.00 61.41 H new ATOM 0 HA TYR A 74 4.808 -10.602 5.496 1.00 24.32 H new ATOM 0 HB2 TYR A 74 5.951 -13.074 6.832 1.00 62.21 H new ATOM 0 HB3 TYR A 74 6.684 -12.093 5.579 1.00 62.21 H new ATOM 0 HD1 TYR A 74 5.712 -12.100 9.170 1.00 43.32 H new ATOM 0 HD2 TYR A 74 7.995 -10.167 6.135 1.00 20.33 H new ATOM 0 HE1 TYR A 74 6.858 -10.766 10.884 1.00 45.43 H new ATOM 0 HE2 TYR A 74 9.146 -8.836 7.848 1.00 45.04 H new ATOM 0 HH TYR A 74 9.615 -8.749 10.117 1.00 64.44 H new ATOM 1108 N ALA A 75 3.103 -13.336 5.923 1.00 22.52 N ATOM 1109 CA ALA A 75 2.320 -14.361 5.243 1.00 24.14 C ATOM 1110 C ALA A 75 1.626 -13.794 4.010 1.00 2.50 C ATOM 1111 O ALA A 75 1.487 -14.476 2.995 1.00 20.20 O ATOM 1112 CB ALA A 75 1.298 -14.963 6.196 1.00 25.34 C ATOM 0 H ALA A 75 2.959 -13.295 6.932 1.00 22.52 H new ATOM 0 HA ALA A 75 3.002 -15.146 4.915 1.00 24.14 H new ATOM 0 HB1 ALA A 75 0.720 -15.727 5.675 1.00 25.34 H new ATOM 0 HB2 ALA A 75 1.813 -15.413 7.045 1.00 25.34 H new ATOM 0 HB3 ALA A 75 0.627 -14.181 6.552 1.00 25.34 H new ATOM 1118 N ASP A 76 1.192 -12.542 4.105 1.00 50.30 N ATOM 1119 CA ASP A 76 0.512 -11.882 2.996 1.00 21.02 C ATOM 1120 C ASP A 76 1.519 -11.269 2.028 1.00 25.14 C ATOM 1121 O ASP A 76 1.291 -11.230 0.819 1.00 61.21 O ATOM 1122 CB ASP A 76 -0.433 -10.800 3.521 1.00 73.22 C ATOM 1123 CG ASP A 76 -1.763 -11.366 3.980 1.00 43.01 C ATOM 1124 OD1 ASP A 76 -2.674 -10.568 4.282 1.00 52.23 O ATOM 1125 OD2 ASP A 76 -1.891 -12.607 4.038 1.00 34.02 O ATOM 0 H ASP A 76 1.299 -11.964 4.938 1.00 50.30 H new ATOM 0 HA ASP A 76 -0.069 -12.633 2.460 1.00 21.02 H new ATOM 0 HB2 ASP A 76 0.043 -10.278 4.351 1.00 73.22 H new ATOM 0 HB3 ASP A 76 -0.606 -10.062 2.738 1.00 73.22 H new ATOM 1130 N THR A 77 2.636 -10.790 2.569 1.00 55.42 N ATOM 1131 CA THR A 77 3.677 -10.176 1.754 1.00 31.43 C ATOM 1132 C THR A 77 4.102 -11.100 0.618 1.00 13.13 C ATOM 1133 O THR A 77 4.338 -12.293 0.811 1.00 2.42 O ATOM 1134 CB THR A 77 4.914 -9.819 2.600 1.00 51.33 C ATOM 1135 OG1 THR A 77 4.545 -8.919 3.651 1.00 43.33 O ATOM 1136 CG2 THR A 77 5.994 -9.184 1.737 1.00 51.11 C ATOM 0 H THR A 77 2.842 -10.816 3.568 1.00 55.42 H new ATOM 0 HA THR A 77 3.255 -9.262 1.337 1.00 31.43 H new ATOM 0 HB THR A 77 5.310 -10.738 3.032 1.00 51.33 H new ATOM 0 HG1 THR A 77 5.336 -8.698 4.185 1.00 43.33 H new ATOM 0 HG21 THR A 77 6.858 -8.940 2.356 1.00 51.11 H new ATOM 0 HG22 THR A 77 6.293 -9.883 0.956 1.00 51.11 H new ATOM 0 HG23 THR A 77 5.606 -8.273 1.280 1.00 51.11 H new ATOM 1144 N PRO A 78 4.202 -10.538 -0.596 1.00 22.43 N ATOM 1145 CA PRO A 78 4.601 -11.294 -1.787 1.00 35.31 C ATOM 1146 C PRO A 78 6.068 -11.706 -1.748 1.00 61.51 C ATOM 1147 O PRO A 78 6.961 -10.872 -1.898 1.00 51.21 O ATOM 1148 CB PRO A 78 4.352 -10.309 -2.932 1.00 31.03 C ATOM 1149 CG PRO A 78 4.453 -8.963 -2.302 1.00 10.14 C ATOM 1150 CD PRO A 78 3.935 -9.122 -0.899 1.00 25.32 C ATOM 0 HA PRO A 78 4.047 -12.228 -1.882 1.00 35.31 H new ATOM 0 HB2 PRO A 78 5.089 -10.431 -3.726 1.00 31.03 H new ATOM 0 HB3 PRO A 78 3.371 -10.463 -3.381 1.00 31.03 H new ATOM 0 HG2 PRO A 78 5.484 -8.610 -2.299 1.00 10.14 H new ATOM 0 HG3 PRO A 78 3.866 -8.229 -2.854 1.00 10.14 H new ATOM 0 HD2 PRO A 78 4.448 -8.458 -0.203 1.00 25.32 H new ATOM 0 HD3 PRO A 78 2.872 -8.891 -0.834 1.00 25.32 H new ATOM 1158 N ILE A 79 6.310 -12.997 -1.546 1.00 62.35 N ATOM 1159 CA ILE A 79 7.670 -13.519 -1.490 1.00 31.21 C ATOM 1160 C ILE A 79 7.971 -14.400 -2.698 1.00 24.25 C ATOM 1161 O ILE A 79 7.238 -15.347 -2.988 1.00 4.50 O ATOM 1162 CB ILE A 79 7.908 -14.332 -0.203 1.00 72.05 C ATOM 1163 CG1 ILE A 79 7.697 -13.451 1.029 1.00 14.52 C ATOM 1164 CG2 ILE A 79 9.309 -14.925 -0.203 1.00 73.44 C ATOM 1165 CD1 ILE A 79 8.614 -12.249 1.077 1.00 25.13 C ATOM 0 H ILE A 79 5.582 -13.700 -1.418 1.00 62.35 H new ATOM 0 HA ILE A 79 8.339 -12.659 -1.496 1.00 31.21 H new ATOM 0 HB ILE A 79 7.188 -15.150 -0.169 1.00 72.05 H new ATOM 0 HG12 ILE A 79 6.662 -13.109 1.048 1.00 14.52 H new ATOM 0 HG13 ILE A 79 7.851 -14.051 1.926 1.00 14.52 H new ATOM 0 HG21 ILE A 79 9.462 -15.496 0.712 1.00 73.44 H new ATOM 0 HG22 ILE A 79 9.426 -15.582 -1.065 1.00 73.44 H new ATOM 0 HG23 ILE A 79 10.044 -14.122 -0.257 1.00 73.44 H new ATOM 0 HD11 ILE A 79 8.408 -11.670 1.977 1.00 25.13 H new ATOM 0 HD12 ILE A 79 9.651 -12.583 1.090 1.00 25.13 H new ATOM 0 HD13 ILE A 79 8.444 -11.626 0.199 1.00 25.13 H new ATOM 1177 N LEU A 80 9.055 -14.084 -3.397 1.00 64.32 N ATOM 1178 CA LEU A 80 9.456 -14.848 -4.574 1.00 23.34 C ATOM 1179 C LEU A 80 10.828 -15.484 -4.369 1.00 14.03 C ATOM 1180 O LEU A 80 11.817 -14.789 -4.136 1.00 62.45 O ATOM 1181 CB LEU A 80 9.479 -13.946 -5.809 1.00 22.04 C ATOM 1182 CG LEU A 80 8.138 -13.339 -6.222 1.00 33.44 C ATOM 1183 CD1 LEU A 80 7.043 -14.395 -6.194 1.00 3.04 C ATOM 1184 CD2 LEU A 80 7.778 -12.172 -5.314 1.00 44.22 C ATOM 0 H LEU A 80 9.672 -13.304 -3.170 1.00 64.32 H new ATOM 0 HA LEU A 80 8.726 -15.643 -4.726 1.00 23.34 H new ATOM 0 HB2 LEU A 80 10.182 -13.133 -5.628 1.00 22.04 H new ATOM 0 HB3 LEU A 80 9.868 -14.523 -6.648 1.00 22.04 H new ATOM 0 HG LEU A 80 8.229 -12.965 -7.242 1.00 33.44 H new ATOM 0 HD11 LEU A 80 6.096 -13.945 -6.491 1.00 3.04 H new ATOM 0 HD12 LEU A 80 7.295 -15.199 -6.886 1.00 3.04 H new ATOM 0 HD13 LEU A 80 6.953 -14.799 -5.186 1.00 3.04 H new ATOM 0 HD21 LEU A 80 6.821 -11.752 -5.623 1.00 44.22 H new ATOM 0 HD22 LEU A 80 7.706 -12.521 -4.284 1.00 44.22 H new ATOM 0 HD23 LEU A 80 8.550 -11.405 -5.384 1.00 44.22 H new ATOM 1196 N VAL A 81 10.879 -16.809 -4.458 1.00 63.34 N ATOM 1197 CA VAL A 81 12.130 -17.539 -4.286 1.00 73.03 C ATOM 1198 C VAL A 81 12.671 -18.025 -5.626 1.00 43.20 C ATOM 1199 O VAL A 81 11.921 -18.517 -6.470 1.00 40.41 O ATOM 1200 CB VAL A 81 11.950 -18.748 -3.349 1.00 13.10 C ATOM 1201 CG1 VAL A 81 10.912 -19.708 -3.909 1.00 72.44 C ATOM 1202 CG2 VAL A 81 13.279 -19.454 -3.130 1.00 71.52 C ATOM 0 H VAL A 81 10.069 -17.399 -4.648 1.00 63.34 H new ATOM 0 HA VAL A 81 12.842 -16.845 -3.839 1.00 73.03 H new ATOM 0 HB VAL A 81 11.593 -18.388 -2.384 1.00 13.10 H new ATOM 0 HG11 VAL A 81 10.799 -20.556 -3.233 1.00 72.44 H new ATOM 0 HG12 VAL A 81 9.956 -19.193 -4.009 1.00 72.44 H new ATOM 0 HG13 VAL A 81 11.236 -20.064 -4.887 1.00 72.44 H new ATOM 0 HG21 VAL A 81 13.133 -20.306 -2.466 1.00 71.52 H new ATOM 0 HG22 VAL A 81 13.668 -19.802 -4.087 1.00 71.52 H new ATOM 0 HG23 VAL A 81 13.990 -18.760 -2.680 1.00 71.52 H new ATOM 1212 N LEU A 82 13.979 -17.885 -5.815 1.00 53.41 N ATOM 1213 CA LEU A 82 14.623 -18.310 -7.053 1.00 53.11 C ATOM 1214 C LEU A 82 14.943 -19.801 -7.016 1.00 1.21 C ATOM 1215 O LEU A 82 15.235 -20.359 -5.957 1.00 53.43 O ATOM 1216 CB LEU A 82 15.904 -17.507 -7.287 1.00 34.13 C ATOM 1217 CG LEU A 82 15.794 -15.995 -7.088 1.00 54.12 C ATOM 1218 CD1 LEU A 82 17.170 -15.382 -6.882 1.00 41.05 C ATOM 1219 CD2 LEU A 82 15.093 -15.351 -8.276 1.00 10.24 C ATOM 0 H LEU A 82 14.614 -17.481 -5.127 1.00 53.41 H new ATOM 0 HA LEU A 82 13.931 -18.126 -7.875 1.00 53.11 H new ATOM 0 HB2 LEU A 82 16.675 -17.887 -6.616 1.00 34.13 H new ATOM 0 HB3 LEU A 82 16.246 -17.695 -8.305 1.00 34.13 H new ATOM 0 HG LEU A 82 15.199 -15.807 -6.194 1.00 54.12 H new ATOM 0 HD11 LEU A 82 17.072 -14.306 -6.742 1.00 41.05 H new ATOM 0 HD12 LEU A 82 17.636 -15.821 -6.000 1.00 41.05 H new ATOM 0 HD13 LEU A 82 17.791 -15.579 -7.756 1.00 41.05 H new ATOM 0 HD21 LEU A 82 15.023 -14.275 -8.118 1.00 10.24 H new ATOM 0 HD22 LEU A 82 15.662 -15.548 -9.185 1.00 10.24 H new ATOM 0 HD23 LEU A 82 14.091 -15.768 -8.377 1.00 10.24 H new ATOM 1231 N THR A 83 14.889 -20.442 -8.179 1.00 40.24 N ATOM 1232 CA THR A 83 15.174 -21.867 -8.281 1.00 23.44 C ATOM 1233 C THR A 83 16.125 -22.157 -9.436 1.00 61.23 C ATOM 1234 O THR A 83 16.303 -21.330 -10.331 1.00 12.31 O ATOM 1235 CB THR A 83 13.884 -22.686 -8.475 1.00 20.14 C ATOM 1236 OG1 THR A 83 14.203 -24.072 -8.638 1.00 64.33 O ATOM 1237 CG2 THR A 83 13.107 -22.193 -9.686 1.00 42.10 C ATOM 0 H THR A 83 14.650 -19.996 -9.065 1.00 40.24 H new ATOM 0 HA THR A 83 15.645 -22.162 -7.344 1.00 23.44 H new ATOM 0 HB THR A 83 13.263 -22.559 -7.588 1.00 20.14 H new ATOM 0 HG1 THR A 83 13.937 -24.566 -7.834 1.00 64.33 H new ATOM 0 HG21 THR A 83 12.200 -22.786 -9.803 1.00 42.10 H new ATOM 0 HG22 THR A 83 12.840 -21.146 -9.545 1.00 42.10 H new ATOM 0 HG23 THR A 83 13.724 -22.293 -10.579 1.00 42.10 H new ATOM 1245 N THR A 84 16.735 -23.338 -9.413 1.00 21.30 N ATOM 1246 CA THR A 84 17.668 -23.737 -10.459 1.00 25.23 C ATOM 1247 C THR A 84 17.110 -24.892 -11.283 1.00 3.14 C ATOM 1248 O THR A 84 17.308 -24.952 -12.496 1.00 33.44 O ATOM 1249 CB THR A 84 19.029 -24.153 -9.868 1.00 61.35 C ATOM 1250 OG1 THR A 84 18.839 -25.135 -8.844 1.00 11.05 O ATOM 1251 CG2 THR A 84 19.761 -22.949 -9.295 1.00 61.31 C ATOM 0 H THR A 84 16.599 -24.035 -8.681 1.00 21.30 H new ATOM 0 HA THR A 84 17.810 -22.870 -11.104 1.00 25.23 H new ATOM 0 HB THR A 84 19.634 -24.578 -10.669 1.00 61.35 H new ATOM 0 HG1 THR A 84 19.709 -25.395 -8.475 1.00 11.05 H new ATOM 0 HG21 THR A 84 20.719 -23.267 -8.884 1.00 61.31 H new ATOM 0 HG22 THR A 84 19.931 -22.217 -10.084 1.00 61.31 H new ATOM 0 HG23 THR A 84 19.159 -22.499 -8.506 1.00 61.31 H new ATOM 1259 N GLU A 85 16.412 -25.806 -10.616 1.00 3.24 N ATOM 1260 CA GLU A 85 15.826 -26.959 -11.288 1.00 72.02 C ATOM 1261 C GLU A 85 14.609 -26.548 -12.111 1.00 55.24 C ATOM 1262 O GLU A 85 14.657 -26.522 -13.340 1.00 53.44 O ATOM 1263 CB GLU A 85 15.427 -28.025 -10.266 1.00 22.42 C ATOM 1264 CG GLU A 85 16.253 -29.298 -10.360 1.00 13.40 C ATOM 1265 CD GLU A 85 15.495 -30.438 -11.012 1.00 11.13 C ATOM 1266 OE1 GLU A 85 15.189 -31.425 -10.311 1.00 11.11 O ATOM 1267 OE2 GLU A 85 15.208 -30.342 -12.223 1.00 73.45 O ATOM 0 H GLU A 85 16.239 -25.770 -9.611 1.00 3.24 H new ATOM 0 HA GLU A 85 16.576 -27.374 -11.961 1.00 72.02 H new ATOM 0 HB2 GLU A 85 15.527 -27.610 -9.263 1.00 22.42 H new ATOM 0 HB3 GLU A 85 14.375 -28.274 -10.405 1.00 22.42 H new ATOM 0 HG2 GLU A 85 17.160 -29.097 -10.930 1.00 13.40 H new ATOM 0 HG3 GLU A 85 16.565 -29.599 -9.360 1.00 13.40 H new ATOM 1274 N GLY A 86 13.517 -26.228 -11.423 1.00 53.53 N ATOM 1275 CA GLY A 86 12.302 -25.823 -12.106 1.00 52.31 C ATOM 1276 C GLY A 86 11.276 -26.936 -12.173 1.00 73.40 C ATOM 1277 O GLY A 86 10.524 -27.039 -13.142 1.00 73.41 O ATOM 0 H GLY A 86 13.452 -26.242 -10.405 1.00 53.53 H new ATOM 0 HA2 GLY A 86 11.869 -24.965 -11.592 1.00 52.31 H new ATOM 0 HA3 GLY A 86 12.548 -25.499 -13.117 1.00 52.31 H new ATOM 1281 N SER A 87 11.245 -27.774 -11.141 1.00 42.32 N ATOM 1282 CA SER A 87 10.307 -28.889 -11.089 1.00 64.13 C ATOM 1283 C SER A 87 9.351 -28.740 -9.910 1.00 21.52 C ATOM 1284 O SER A 87 9.432 -27.776 -9.149 1.00 33.01 O ATOM 1285 CB SER A 87 11.064 -30.215 -10.983 1.00 51.42 C ATOM 1286 OG SER A 87 10.192 -31.316 -11.169 1.00 12.12 O ATOM 0 H SER A 87 11.859 -27.701 -10.330 1.00 42.32 H new ATOM 0 HA SER A 87 9.724 -28.885 -12.010 1.00 64.13 H new ATOM 0 HB2 SER A 87 11.857 -30.245 -11.730 1.00 51.42 H new ATOM 0 HB3 SER A 87 11.543 -30.287 -10.006 1.00 51.42 H new ATOM 0 HG SER A 87 10.700 -32.151 -11.098 1.00 12.12 H new ATOM 1292 N ASP A 88 8.447 -29.702 -9.765 1.00 75.42 N ATOM 1293 CA ASP A 88 7.474 -29.681 -8.678 1.00 44.33 C ATOM 1294 C ASP A 88 8.144 -29.995 -7.344 1.00 50.21 C ATOM 1295 O ASP A 88 7.780 -29.437 -6.309 1.00 43.33 O ATOM 1296 CB ASP A 88 6.352 -30.684 -8.949 1.00 25.32 C ATOM 1297 CG ASP A 88 5.131 -30.433 -8.087 1.00 74.02 C ATOM 1298 OD1 ASP A 88 4.101 -31.105 -8.306 1.00 61.54 O ATOM 1299 OD2 ASP A 88 5.204 -29.565 -7.193 1.00 41.52 O ATOM 0 H ASP A 88 8.367 -30.507 -10.387 1.00 75.42 H new ATOM 0 HA ASP A 88 7.048 -28.679 -8.623 1.00 44.33 H new ATOM 0 HB2 ASP A 88 6.068 -30.632 -10.000 1.00 25.32 H new ATOM 0 HB3 ASP A 88 6.720 -31.694 -8.768 1.00 25.32 H new ATOM 1304 N ALA A 89 9.123 -30.893 -7.376 1.00 43.32 N ATOM 1305 CA ALA A 89 9.844 -31.280 -6.170 1.00 21.40 C ATOM 1306 C ALA A 89 10.370 -30.057 -5.428 1.00 4.33 C ATOM 1307 O ALA A 89 10.373 -30.018 -4.197 1.00 60.21 O ATOM 1308 CB ALA A 89 10.988 -32.221 -6.518 1.00 70.32 C ATOM 0 H ALA A 89 9.435 -31.366 -8.224 1.00 43.32 H new ATOM 0 HA ALA A 89 9.148 -31.800 -5.512 1.00 21.40 H new ATOM 0 HB1 ALA A 89 11.518 -32.502 -5.608 1.00 70.32 H new ATOM 0 HB2 ALA A 89 10.590 -33.116 -6.997 1.00 70.32 H new ATOM 0 HB3 ALA A 89 11.677 -31.720 -7.199 1.00 70.32 H new ATOM 1314 N PHE A 90 10.816 -29.059 -6.183 1.00 41.53 N ATOM 1315 CA PHE A 90 11.347 -27.834 -5.597 1.00 12.55 C ATOM 1316 C PHE A 90 10.224 -26.978 -5.017 1.00 5.34 C ATOM 1317 O PHE A 90 10.367 -26.389 -3.945 1.00 2.22 O ATOM 1318 CB PHE A 90 12.122 -27.035 -6.646 1.00 4.41 C ATOM 1319 CG PHE A 90 12.975 -25.945 -6.061 1.00 30.35 C ATOM 1320 CD1 PHE A 90 12.419 -24.725 -5.710 1.00 24.52 C ATOM 1321 CD2 PHE A 90 14.332 -26.141 -5.861 1.00 62.25 C ATOM 1322 CE1 PHE A 90 13.201 -23.721 -5.171 1.00 21.15 C ATOM 1323 CE2 PHE A 90 15.119 -25.141 -5.322 1.00 54.22 C ATOM 1324 CZ PHE A 90 14.553 -23.929 -4.978 1.00 13.25 C ATOM 0 H PHE A 90 10.820 -29.074 -7.203 1.00 41.53 H new ATOM 0 HA PHE A 90 12.024 -28.111 -4.789 1.00 12.55 H new ATOM 0 HB2 PHE A 90 12.756 -27.716 -7.214 1.00 4.41 H new ATOM 0 HB3 PHE A 90 11.416 -26.594 -7.350 1.00 4.41 H new ATOM 0 HD1 PHE A 90 11.363 -24.557 -5.859 1.00 24.52 H new ATOM 0 HD2 PHE A 90 14.780 -27.086 -6.129 1.00 62.25 H new ATOM 0 HE1 PHE A 90 12.756 -22.775 -4.901 1.00 21.15 H new ATOM 0 HE2 PHE A 90 16.175 -25.307 -5.170 1.00 54.22 H new ATOM 0 HZ PHE A 90 15.166 -23.145 -4.559 1.00 13.25 H new ATOM 1334 N LYS A 91 9.107 -26.913 -5.733 1.00 64.01 N ATOM 1335 CA LYS A 91 7.959 -26.131 -5.292 1.00 11.43 C ATOM 1336 C LYS A 91 7.557 -26.509 -3.870 1.00 32.12 C ATOM 1337 O LYS A 91 7.144 -25.657 -3.084 1.00 2.21 O ATOM 1338 CB LYS A 91 6.777 -26.342 -6.241 1.00 11.34 C ATOM 1339 CG LYS A 91 6.843 -25.486 -7.494 1.00 32.21 C ATOM 1340 CD LYS A 91 5.544 -25.548 -8.280 1.00 61.33 C ATOM 1341 CE LYS A 91 5.670 -26.456 -9.494 1.00 65.30 C ATOM 1342 NZ LYS A 91 4.663 -26.128 -10.540 1.00 14.41 N ATOM 0 H LYS A 91 8.972 -27.393 -6.623 1.00 64.01 H new ATOM 0 HA LYS A 91 8.242 -25.078 -5.303 1.00 11.43 H new ATOM 0 HB2 LYS A 91 6.737 -27.392 -6.530 1.00 11.34 H new ATOM 0 HB3 LYS A 91 5.851 -26.122 -5.709 1.00 11.34 H new ATOM 0 HG2 LYS A 91 7.054 -24.453 -7.219 1.00 32.21 H new ATOM 0 HG3 LYS A 91 7.667 -25.823 -8.123 1.00 32.21 H new ATOM 0 HD2 LYS A 91 4.744 -25.911 -7.635 1.00 61.33 H new ATOM 0 HD3 LYS A 91 5.264 -24.545 -8.602 1.00 61.33 H new ATOM 0 HE2 LYS A 91 6.672 -26.364 -9.913 1.00 65.30 H new ATOM 0 HE3 LYS A 91 5.547 -27.494 -9.185 1.00 65.30 H new ATOM 0 HZ1 LYS A 91 4.782 -26.769 -11.350 1.00 14.41 H new ATOM 0 HZ2 LYS A 91 3.706 -26.240 -10.148 1.00 14.41 H new ATOM 0 HZ3 LYS A 91 4.796 -25.145 -10.854 1.00 14.41 H new ATOM 1356 N ALA A 92 7.681 -27.792 -3.546 1.00 45.01 N ATOM 1357 CA ALA A 92 7.334 -28.282 -2.218 1.00 4.12 C ATOM 1358 C ALA A 92 8.151 -27.575 -1.141 1.00 53.23 C ATOM 1359 O ALA A 92 7.634 -27.245 -0.074 1.00 25.11 O ATOM 1360 CB ALA A 92 7.544 -29.787 -2.139 1.00 3.21 C ATOM 0 H ALA A 92 8.019 -28.511 -4.186 1.00 45.01 H new ATOM 0 HA ALA A 92 6.281 -28.063 -2.041 1.00 4.12 H new ATOM 0 HB1 ALA A 92 7.281 -30.139 -1.142 1.00 3.21 H new ATOM 0 HB2 ALA A 92 6.912 -30.282 -2.877 1.00 3.21 H new ATOM 0 HB3 ALA A 92 8.589 -30.020 -2.342 1.00 3.21 H new ATOM 1366 N ALA A 93 9.428 -27.345 -1.429 1.00 32.43 N ATOM 1367 CA ALA A 93 10.315 -26.676 -0.485 1.00 71.23 C ATOM 1368 C ALA A 93 9.856 -25.247 -0.219 1.00 54.43 C ATOM 1369 O ALA A 93 9.602 -24.869 0.924 1.00 1.20 O ATOM 1370 CB ALA A 93 11.744 -26.685 -1.007 1.00 70.13 C ATOM 0 H ALA A 93 9.871 -27.612 -2.308 1.00 32.43 H new ATOM 0 HA ALA A 93 10.281 -27.222 0.458 1.00 71.23 H new ATOM 0 HB1 ALA A 93 12.396 -26.182 -0.292 1.00 70.13 H new ATOM 0 HB2 ALA A 93 12.077 -27.715 -1.139 1.00 70.13 H new ATOM 0 HB3 ALA A 93 11.785 -26.165 -1.964 1.00 70.13 H new ATOM 1376 N ALA A 94 9.752 -24.456 -1.282 1.00 75.15 N ATOM 1377 CA ALA A 94 9.322 -23.068 -1.163 1.00 74.44 C ATOM 1378 C ALA A 94 8.013 -22.964 -0.388 1.00 54.21 C ATOM 1379 O ALA A 94 7.889 -22.157 0.533 1.00 12.24 O ATOM 1380 CB ALA A 94 9.172 -22.442 -2.542 1.00 2.01 C ATOM 0 H ALA A 94 9.960 -24.753 -2.236 1.00 75.15 H new ATOM 0 HA ALA A 94 10.086 -22.523 -0.609 1.00 74.44 H new ATOM 0 HB1 ALA A 94 8.850 -21.406 -2.438 1.00 2.01 H new ATOM 0 HB2 ALA A 94 10.129 -22.475 -3.062 1.00 2.01 H new ATOM 0 HB3 ALA A 94 8.429 -22.997 -3.115 1.00 2.01 H new ATOM 1386 N ARG A 95 7.038 -23.784 -0.768 1.00 23.13 N ATOM 1387 CA ARG A 95 5.738 -23.782 -0.109 1.00 13.02 C ATOM 1388 C ARG A 95 5.865 -24.223 1.346 1.00 12.35 C ATOM 1389 O ARG A 95 5.159 -23.721 2.221 1.00 34.23 O ATOM 1390 CB ARG A 95 4.766 -24.703 -0.849 1.00 11.02 C ATOM 1391 CG ARG A 95 4.235 -24.113 -2.145 1.00 62.12 C ATOM 1392 CD ARG A 95 3.217 -25.033 -2.800 1.00 72.10 C ATOM 1393 NE ARG A 95 1.956 -25.067 -2.063 1.00 42.23 N ATOM 1394 CZ ARG A 95 1.105 -24.048 -2.015 1.00 45.24 C ATOM 1395 NH1 ARG A 95 1.379 -22.921 -2.659 1.00 33.04 N ATOM 1396 NH2 ARG A 95 -0.022 -24.155 -1.324 1.00 3.15 N ATOM 0 H ARG A 95 7.124 -24.458 -1.529 1.00 23.13 H new ATOM 0 HA ARG A 95 5.350 -22.764 -0.129 1.00 13.02 H new ATOM 0 HB2 ARG A 95 5.267 -25.646 -1.067 1.00 11.02 H new ATOM 0 HB3 ARG A 95 3.926 -24.933 -0.193 1.00 11.02 H new ATOM 0 HG2 ARG A 95 3.776 -23.145 -1.944 1.00 62.12 H new ATOM 0 HG3 ARG A 95 5.063 -23.937 -2.832 1.00 62.12 H new ATOM 0 HD2 ARG A 95 3.031 -24.700 -3.821 1.00 72.10 H new ATOM 0 HD3 ARG A 95 3.627 -26.041 -2.863 1.00 72.10 H new ATOM 0 HE ARG A 95 1.716 -25.920 -1.558 1.00 42.23 H new ATOM 0 HH11 ARG A 95 2.244 -22.836 -3.192 1.00 33.04 H new ATOM 0 HH12 ARG A 95 0.724 -22.140 -2.621 1.00 33.04 H new ATOM 0 HH21 ARG A 95 -0.236 -25.020 -0.829 1.00 3.15 H new ATOM 0 HH22 ARG A 95 -0.674 -23.372 -1.288 1.00 3.15 H new ATOM 1410 N ASP A 96 6.769 -25.163 1.597 1.00 33.34 N ATOM 1411 CA ASP A 96 6.989 -25.672 2.946 1.00 11.45 C ATOM 1412 C ASP A 96 7.503 -24.568 3.866 1.00 51.03 C ATOM 1413 O ASP A 96 7.102 -24.476 5.025 1.00 13.34 O ATOM 1414 CB ASP A 96 7.982 -26.835 2.920 1.00 10.55 C ATOM 1415 CG ASP A 96 8.117 -27.511 4.271 1.00 40.24 C ATOM 1416 OD1 ASP A 96 9.242 -27.535 4.812 1.00 61.14 O ATOM 1417 OD2 ASP A 96 7.098 -28.017 4.786 1.00 52.41 O ATOM 0 H ASP A 96 7.362 -25.588 0.884 1.00 33.34 H new ATOM 0 HA ASP A 96 6.035 -26.028 3.334 1.00 11.45 H new ATOM 0 HB2 ASP A 96 7.659 -27.568 2.181 1.00 10.55 H new ATOM 0 HB3 ASP A 96 8.958 -26.469 2.601 1.00 10.55 H new ATOM 1422 N ALA A 97 8.394 -23.734 3.340 1.00 52.23 N ATOM 1423 CA ALA A 97 8.962 -22.636 4.112 1.00 31.25 C ATOM 1424 C ALA A 97 7.920 -21.554 4.377 1.00 23.53 C ATOM 1425 O ALA A 97 7.895 -20.953 5.450 1.00 34.13 O ATOM 1426 CB ALA A 97 10.164 -22.048 3.389 1.00 62.12 C ATOM 0 H ALA A 97 8.738 -23.798 2.382 1.00 52.23 H new ATOM 0 HA ALA A 97 9.289 -23.032 5.073 1.00 31.25 H new ATOM 0 HB1 ALA A 97 10.578 -21.229 3.977 1.00 62.12 H new ATOM 0 HB2 ALA A 97 10.923 -22.820 3.257 1.00 62.12 H new ATOM 0 HB3 ALA A 97 9.854 -21.673 2.413 1.00 62.12 H new ATOM 1432 N GLY A 98 7.062 -21.311 3.391 1.00 22.21 N ATOM 1433 CA GLY A 98 6.031 -20.301 3.538 1.00 53.14 C ATOM 1434 C GLY A 98 6.200 -19.154 2.561 1.00 11.23 C ATOM 1435 O GLY A 98 5.886 -18.007 2.880 1.00 61.40 O ATOM 0 H GLY A 98 7.063 -21.796 2.493 1.00 22.21 H new ATOM 0 HA2 GLY A 98 5.053 -20.760 3.390 1.00 53.14 H new ATOM 0 HA3 GLY A 98 6.050 -19.913 4.556 1.00 53.14 H new ATOM 1439 N ALA A 99 6.699 -19.462 1.369 1.00 71.51 N ATOM 1440 CA ALA A 99 6.909 -18.449 0.343 1.00 1.50 C ATOM 1441 C ALA A 99 5.722 -18.380 -0.612 1.00 65.03 C ATOM 1442 O ALA A 99 5.208 -19.408 -1.055 1.00 53.51 O ATOM 1443 CB ALA A 99 8.192 -18.732 -0.425 1.00 34.42 C ATOM 0 H ALA A 99 6.966 -20.406 1.090 1.00 71.51 H new ATOM 0 HA ALA A 99 7.001 -17.482 0.837 1.00 1.50 H new ATOM 0 HB1 ALA A 99 8.336 -17.967 -1.188 1.00 34.42 H new ATOM 0 HB2 ALA A 99 9.038 -18.722 0.263 1.00 34.42 H new ATOM 0 HB3 ALA A 99 8.123 -19.710 -0.901 1.00 34.42 H new ATOM 1449 N THR A 100 5.291 -17.162 -0.927 1.00 21.42 N ATOM 1450 CA THR A 100 4.164 -16.960 -1.828 1.00 51.10 C ATOM 1451 C THR A 100 4.366 -17.711 -3.139 1.00 21.42 C ATOM 1452 O THR A 100 3.676 -18.691 -3.417 1.00 31.11 O ATOM 1453 CB THR A 100 3.951 -15.465 -2.134 1.00 35.41 C ATOM 1454 OG1 THR A 100 3.720 -14.745 -0.918 1.00 43.42 O ATOM 1455 CG2 THR A 100 2.773 -15.269 -3.077 1.00 1.32 C ATOM 0 H THR A 100 5.706 -16.301 -0.571 1.00 21.42 H new ATOM 0 HA THR A 100 3.281 -17.350 -1.322 1.00 51.10 H new ATOM 0 HB THR A 100 4.850 -15.083 -2.617 1.00 35.41 H new ATOM 0 HG1 THR A 100 3.022 -14.072 -1.064 1.00 43.42 H new ATOM 0 HG21 THR A 100 2.642 -14.206 -3.279 1.00 1.32 H new ATOM 0 HG22 THR A 100 2.964 -15.795 -4.012 1.00 1.32 H new ATOM 0 HG23 THR A 100 1.868 -15.665 -2.616 1.00 1.32 H new ATOM 1463 N GLY A 101 5.318 -17.246 -3.942 1.00 3.02 N ATOM 1464 CA GLY A 101 5.595 -17.887 -5.214 1.00 75.02 C ATOM 1465 C GLY A 101 7.077 -18.105 -5.444 1.00 11.40 C ATOM 1466 O GLY A 101 7.900 -17.767 -4.593 1.00 13.20 O ATOM 0 H GLY A 101 5.903 -16.436 -3.734 1.00 3.02 H new ATOM 0 HA2 GLY A 101 5.080 -18.847 -5.253 1.00 75.02 H new ATOM 0 HA3 GLY A 101 5.192 -17.275 -6.021 1.00 75.02 H new ATOM 1470 N TRP A 102 7.418 -18.671 -6.595 1.00 62.35 N ATOM 1471 CA TRP A 102 8.812 -18.935 -6.934 1.00 23.34 C ATOM 1472 C TRP A 102 9.101 -18.563 -8.384 1.00 14.02 C ATOM 1473 O TRP A 102 8.180 -18.361 -9.177 1.00 4.23 O ATOM 1474 CB TRP A 102 9.146 -20.409 -6.697 1.00 32.15 C ATOM 1475 CG TRP A 102 8.703 -21.305 -7.813 1.00 61.32 C ATOM 1476 CD1 TRP A 102 7.579 -21.169 -8.577 1.00 30.43 C ATOM 1477 CD2 TRP A 102 9.375 -22.476 -8.290 1.00 21.21 C ATOM 1478 NE1 TRP A 102 7.512 -22.185 -9.499 1.00 74.34 N ATOM 1479 CE2 TRP A 102 8.602 -23.000 -9.345 1.00 0.22 C ATOM 1480 CE3 TRP A 102 10.555 -23.132 -7.930 1.00 63.11 C ATOM 1481 CZ2 TRP A 102 8.972 -24.148 -10.040 1.00 22.02 C ATOM 1482 CZ3 TRP A 102 10.921 -24.272 -8.621 1.00 2.24 C ATOM 1483 CH2 TRP A 102 10.132 -24.770 -9.666 1.00 65.02 C ATOM 0 H TRP A 102 6.749 -18.956 -7.310 1.00 62.35 H new ATOM 0 HA TRP A 102 9.439 -18.319 -6.289 1.00 23.34 H new ATOM 0 HB2 TRP A 102 10.223 -20.513 -6.563 1.00 32.15 H new ATOM 0 HB3 TRP A 102 8.676 -20.736 -5.770 1.00 32.15 H new ATOM 0 HD1 TRP A 102 6.850 -20.379 -8.472 1.00 30.43 H new ATOM 0 HE1 TRP A 102 6.770 -22.312 -10.187 1.00 74.34 H new ATOM 0 HE3 TRP A 102 11.170 -22.755 -7.126 1.00 63.11 H new ATOM 0 HZ2 TRP A 102 8.365 -24.534 -10.846 1.00 22.02 H new ATOM 0 HZ3 TRP A 102 11.831 -24.787 -8.351 1.00 2.24 H new ATOM 0 HH2 TRP A 102 10.446 -25.663 -10.187 1.00 65.02 H new ATOM 1494 N ILE A 103 10.382 -18.474 -8.724 1.00 30.32 N ATOM 1495 CA ILE A 103 10.790 -18.128 -10.080 1.00 12.54 C ATOM 1496 C ILE A 103 12.131 -18.762 -10.429 1.00 65.34 C ATOM 1497 O ILE A 103 12.850 -19.241 -9.552 1.00 52.33 O ATOM 1498 CB ILE A 103 10.893 -16.602 -10.264 1.00 12.14 C ATOM 1499 CG1 ILE A 103 11.750 -15.989 -9.154 1.00 64.35 C ATOM 1500 CG2 ILE A 103 9.507 -15.975 -10.276 1.00 74.22 C ATOM 1501 CD1 ILE A 103 11.501 -14.512 -8.944 1.00 30.21 C ATOM 0 H ILE A 103 11.155 -18.637 -8.079 1.00 30.32 H new ATOM 0 HA ILE A 103 10.022 -18.516 -10.750 1.00 12.54 H new ATOM 0 HB ILE A 103 11.371 -16.398 -11.222 1.00 12.14 H new ATOM 0 HG12 ILE A 103 11.555 -16.518 -8.221 1.00 64.35 H new ATOM 0 HG13 ILE A 103 12.803 -16.141 -9.393 1.00 64.35 H new ATOM 0 HG21 ILE A 103 9.597 -14.897 -10.407 1.00 74.22 H new ATOM 0 HG22 ILE A 103 8.926 -16.393 -11.098 1.00 74.22 H new ATOM 0 HG23 ILE A 103 9.004 -16.185 -9.332 1.00 74.22 H new ATOM 0 HD11 ILE A 103 12.142 -14.145 -8.143 1.00 30.21 H new ATOM 0 HD12 ILE A 103 11.724 -13.971 -9.864 1.00 30.21 H new ATOM 0 HD13 ILE A 103 10.457 -14.354 -8.674 1.00 30.21 H new ATOM 1513 N GLU A 104 12.463 -18.761 -11.717 1.00 1.33 N ATOM 1514 CA GLU A 104 13.720 -19.336 -12.182 1.00 13.11 C ATOM 1515 C GLU A 104 14.688 -18.242 -12.624 1.00 72.43 C ATOM 1516 O GLU A 104 14.494 -17.608 -13.661 1.00 52.52 O ATOM 1517 CB GLU A 104 13.465 -20.306 -13.338 1.00 4.41 C ATOM 1518 CG GLU A 104 12.521 -19.758 -14.395 1.00 65.02 C ATOM 1519 CD GLU A 104 12.949 -20.121 -15.804 1.00 24.32 C ATOM 1520 OE1 GLU A 104 13.986 -19.598 -16.263 1.00 54.44 O ATOM 1521 OE2 GLU A 104 12.247 -20.930 -16.446 1.00 64.14 O ATOM 0 H GLU A 104 11.879 -18.369 -12.456 1.00 1.33 H new ATOM 0 HA GLU A 104 14.170 -19.881 -11.353 1.00 13.11 H new ATOM 0 HB2 GLU A 104 14.416 -20.557 -13.807 1.00 4.41 H new ATOM 0 HB3 GLU A 104 13.052 -21.233 -12.939 1.00 4.41 H new ATOM 0 HG2 GLU A 104 11.517 -20.142 -14.214 1.00 65.02 H new ATOM 0 HG3 GLU A 104 12.469 -18.673 -14.303 1.00 65.02 H new ATOM 1528 N LYS A 105 15.731 -18.027 -11.830 1.00 61.42 N ATOM 1529 CA LYS A 105 16.731 -17.012 -12.138 1.00 41.00 C ATOM 1530 C LYS A 105 17.629 -17.463 -13.286 1.00 55.42 C ATOM 1531 O LYS A 105 17.734 -18.650 -13.595 1.00 13.15 O ATOM 1532 CB LYS A 105 17.580 -16.711 -10.901 1.00 22.42 C ATOM 1533 CG LYS A 105 18.916 -17.435 -10.889 1.00 53.32 C ATOM 1534 CD LYS A 105 18.733 -18.942 -10.840 1.00 71.42 C ATOM 1535 CE LYS A 105 18.745 -19.459 -9.410 1.00 20.13 C ATOM 1536 NZ LYS A 105 20.127 -19.747 -8.936 1.00 1.04 N ATOM 0 H LYS A 105 15.906 -18.543 -10.968 1.00 61.42 H new ATOM 0 HA LYS A 105 16.209 -16.105 -12.443 1.00 41.00 H new ATOM 0 HB2 LYS A 105 17.758 -15.637 -10.845 1.00 22.42 H new ATOM 0 HB3 LYS A 105 17.018 -16.988 -10.009 1.00 22.42 H new ATOM 0 HG2 LYS A 105 19.485 -17.165 -11.779 1.00 53.32 H new ATOM 0 HG3 LYS A 105 19.499 -17.110 -10.027 1.00 53.32 H new ATOM 0 HD2 LYS A 105 17.791 -19.211 -11.317 1.00 71.42 H new ATOM 0 HD3 LYS A 105 19.527 -19.425 -11.409 1.00 71.42 H new ATOM 0 HE2 LYS A 105 18.282 -18.722 -8.754 1.00 20.13 H new ATOM 0 HE3 LYS A 105 18.143 -20.365 -9.346 1.00 20.13 H new ATOM 0 HZ1 LYS A 105 20.086 -20.367 -8.102 1.00 1.04 H new ATOM 0 HZ2 LYS A 105 20.662 -20.219 -9.693 1.00 1.04 H new ATOM 0 HZ3 LYS A 105 20.599 -18.856 -8.681 1.00 1.04 H new ATOM 1550 N PRO A 106 18.293 -16.494 -13.934 1.00 72.24 N ATOM 1551 CA PRO A 106 18.175 -15.078 -13.577 1.00 10.53 C ATOM 1552 C PRO A 106 16.805 -14.504 -13.922 1.00 71.34 C ATOM 1553 O PRO A 106 16.004 -15.151 -14.598 1.00 12.01 O ATOM 1554 CB PRO A 106 19.263 -14.407 -14.419 1.00 61.32 C ATOM 1555 CG PRO A 106 19.455 -15.317 -15.583 1.00 60.03 C ATOM 1556 CD PRO A 106 19.210 -16.708 -15.067 1.00 15.32 C ATOM 0 HA PRO A 106 18.288 -14.918 -12.505 1.00 10.53 H new ATOM 0 HB2 PRO A 106 18.957 -13.411 -14.741 1.00 61.32 H new ATOM 0 HB3 PRO A 106 20.186 -14.289 -13.852 1.00 61.32 H new ATOM 0 HG2 PRO A 106 18.762 -15.072 -16.388 1.00 60.03 H new ATOM 0 HG3 PRO A 106 20.462 -15.223 -15.989 1.00 60.03 H new ATOM 0 HD2 PRO A 106 18.765 -17.347 -15.830 1.00 15.32 H new ATOM 0 HD3 PRO A 106 20.136 -17.188 -14.750 1.00 15.32 H new ATOM 1564 N ILE A 107 16.543 -13.288 -13.456 1.00 34.23 N ATOM 1565 CA ILE A 107 15.270 -12.628 -13.717 1.00 74.25 C ATOM 1566 C ILE A 107 15.460 -11.394 -14.592 1.00 1.40 C ATOM 1567 O ILE A 107 16.412 -10.634 -14.413 1.00 24.23 O ATOM 1568 CB ILE A 107 14.571 -12.214 -12.409 1.00 52.11 C ATOM 1569 CG1 ILE A 107 14.510 -13.397 -11.441 1.00 21.11 C ATOM 1570 CG2 ILE A 107 13.173 -11.687 -12.699 1.00 22.31 C ATOM 1571 CD1 ILE A 107 13.666 -14.547 -11.944 1.00 50.02 C ATOM 0 H ILE A 107 17.195 -12.740 -12.896 1.00 34.23 H new ATOM 0 HA ILE A 107 14.643 -13.349 -14.241 1.00 74.25 H new ATOM 0 HB ILE A 107 15.149 -11.416 -11.942 1.00 52.11 H new ATOM 0 HG12 ILE A 107 15.522 -13.755 -11.253 1.00 21.11 H new ATOM 0 HG13 ILE A 107 14.111 -13.055 -10.486 1.00 21.11 H new ATOM 0 HG21 ILE A 107 12.692 -11.398 -11.764 1.00 22.31 H new ATOM 0 HG22 ILE A 107 13.240 -10.819 -13.356 1.00 22.31 H new ATOM 0 HG23 ILE A 107 12.584 -12.465 -13.185 1.00 22.31 H new ATOM 0 HD11 ILE A 107 13.668 -15.350 -11.207 1.00 50.02 H new ATOM 0 HD12 ILE A 107 12.644 -14.205 -12.105 1.00 50.02 H new ATOM 0 HD13 ILE A 107 14.077 -14.916 -12.884 1.00 50.02 H new ATOM 1583 N ASP A 108 14.547 -11.199 -15.537 1.00 44.42 N ATOM 1584 CA ASP A 108 14.613 -10.054 -16.439 1.00 34.04 C ATOM 1585 C ASP A 108 14.004 -8.815 -15.789 1.00 35.40 C ATOM 1586 O ASP A 108 13.201 -8.903 -14.859 1.00 51.15 O ATOM 1587 CB ASP A 108 13.887 -10.367 -17.748 1.00 63.22 C ATOM 1588 CG ASP A 108 14.846 -10.681 -18.880 1.00 71.01 C ATOM 1589 OD1 ASP A 108 15.939 -10.077 -18.917 1.00 74.13 O ATOM 1590 OD2 ASP A 108 14.504 -11.531 -19.728 1.00 73.13 O ATOM 0 H ASP A 108 13.753 -11.818 -15.699 1.00 44.42 H new ATOM 0 HA ASP A 108 15.662 -9.851 -16.654 1.00 34.04 H new ATOM 0 HB2 ASP A 108 13.219 -11.215 -17.596 1.00 63.22 H new ATOM 0 HB3 ASP A 108 13.265 -9.517 -18.028 1.00 63.22 H new ATOM 1595 N PRO A 109 14.394 -7.633 -16.288 1.00 15.13 N ATOM 1596 CA PRO A 109 13.899 -6.354 -15.770 1.00 54.34 C ATOM 1597 C PRO A 109 12.430 -6.122 -16.107 1.00 15.32 C ATOM 1598 O PRO A 109 11.697 -5.501 -15.338 1.00 1.23 O ATOM 1599 CB PRO A 109 14.779 -5.321 -16.478 1.00 51.52 C ATOM 1600 CG PRO A 109 15.220 -5.994 -17.732 1.00 14.30 C ATOM 1601 CD PRO A 109 15.347 -7.454 -17.395 1.00 42.33 C ATOM 0 HA PRO A 109 13.952 -6.306 -14.682 1.00 54.34 H new ATOM 0 HB2 PRO A 109 14.223 -4.408 -16.693 1.00 51.52 H new ATOM 0 HB3 PRO A 109 15.631 -5.037 -15.860 1.00 51.52 H new ATOM 0 HG2 PRO A 109 14.497 -5.840 -18.533 1.00 14.30 H new ATOM 0 HG3 PRO A 109 16.171 -5.589 -18.079 1.00 14.30 H new ATOM 0 HD2 PRO A 109 15.097 -8.086 -18.247 1.00 42.33 H new ATOM 0 HD3 PRO A 109 16.363 -7.710 -17.096 1.00 42.33 H new ATOM 1609 N GLY A 110 12.005 -6.626 -17.262 1.00 13.43 N ATOM 1610 CA GLY A 110 10.624 -6.463 -17.679 1.00 3.30 C ATOM 1611 C GLY A 110 9.670 -7.320 -16.872 1.00 73.22 C ATOM 1612 O GLY A 110 8.529 -6.928 -16.625 1.00 70.53 O ATOM 0 H GLY A 110 12.592 -7.144 -17.916 1.00 13.43 H new ATOM 0 HA2 GLY A 110 10.339 -5.416 -17.580 1.00 3.30 H new ATOM 0 HA3 GLY A 110 10.534 -6.719 -18.735 1.00 3.30 H new ATOM 1616 N VAL A 111 10.135 -8.495 -16.461 1.00 65.40 N ATOM 1617 CA VAL A 111 9.315 -9.411 -15.678 1.00 31.51 C ATOM 1618 C VAL A 111 9.314 -9.025 -14.203 1.00 51.43 C ATOM 1619 O VAL A 111 8.268 -9.017 -13.553 1.00 20.13 O ATOM 1620 CB VAL A 111 9.808 -10.864 -15.816 1.00 33.21 C ATOM 1621 CG1 VAL A 111 8.960 -11.799 -14.967 1.00 11.25 C ATOM 1622 CG2 VAL A 111 9.793 -11.295 -17.275 1.00 34.23 C ATOM 0 H VAL A 111 11.076 -8.835 -16.658 1.00 65.40 H new ATOM 0 HA VAL A 111 8.300 -9.340 -16.070 1.00 31.51 H new ATOM 0 HB VAL A 111 10.835 -10.916 -15.456 1.00 33.21 H new ATOM 0 HG11 VAL A 111 9.323 -12.821 -15.077 1.00 11.25 H new ATOM 0 HG12 VAL A 111 9.027 -11.501 -13.921 1.00 11.25 H new ATOM 0 HG13 VAL A 111 7.922 -11.746 -15.294 1.00 11.25 H new ATOM 0 HG21 VAL A 111 10.144 -12.324 -17.354 1.00 34.23 H new ATOM 0 HG22 VAL A 111 8.777 -11.227 -17.664 1.00 34.23 H new ATOM 0 HG23 VAL A 111 10.447 -10.643 -17.854 1.00 34.23 H new ATOM 1632 N LEU A 112 10.492 -8.703 -13.681 1.00 63.20 N ATOM 1633 CA LEU A 112 10.628 -8.314 -12.282 1.00 5.13 C ATOM 1634 C LEU A 112 9.760 -7.100 -11.967 1.00 42.12 C ATOM 1635 O LEU A 112 8.871 -7.163 -11.118 1.00 52.33 O ATOM 1636 CB LEU A 112 12.091 -8.007 -11.957 1.00 45.44 C ATOM 1637 CG LEU A 112 12.394 -7.638 -10.505 1.00 13.54 C ATOM 1638 CD1 LEU A 112 12.093 -6.168 -10.254 1.00 20.15 C ATOM 1639 CD2 LEU A 112 11.595 -8.517 -9.554 1.00 23.33 C ATOM 0 H LEU A 112 11.367 -8.704 -14.205 1.00 63.20 H new ATOM 0 HA LEU A 112 10.292 -9.147 -11.665 1.00 5.13 H new ATOM 0 HB2 LEU A 112 12.691 -8.877 -12.222 1.00 45.44 H new ATOM 0 HB3 LEU A 112 12.419 -7.187 -12.595 1.00 45.44 H new ATOM 0 HG LEU A 112 13.455 -7.807 -10.321 1.00 13.54 H new ATOM 0 HD11 LEU A 112 12.315 -5.923 -9.215 1.00 20.15 H new ATOM 0 HD12 LEU A 112 12.708 -5.553 -10.911 1.00 20.15 H new ATOM 0 HD13 LEU A 112 11.040 -5.973 -10.456 1.00 20.15 H new ATOM 0 HD21 LEU A 112 11.823 -8.241 -8.525 1.00 23.33 H new ATOM 0 HD22 LEU A 112 10.530 -8.379 -9.739 1.00 23.33 H new ATOM 0 HD23 LEU A 112 11.859 -9.562 -9.716 1.00 23.33 H new ATOM 1651 N VAL A 113 10.023 -5.996 -12.659 1.00 1.41 N ATOM 1652 CA VAL A 113 9.264 -4.768 -12.456 1.00 53.41 C ATOM 1653 C VAL A 113 7.767 -5.016 -12.605 1.00 31.25 C ATOM 1654 O VAL A 113 6.956 -4.416 -11.901 1.00 13.42 O ATOM 1655 CB VAL A 113 9.692 -3.672 -13.450 1.00 61.14 C ATOM 1656 CG1 VAL A 113 8.867 -2.411 -13.244 1.00 71.10 C ATOM 1657 CG2 VAL A 113 11.178 -3.376 -13.309 1.00 75.21 C ATOM 0 H VAL A 113 10.756 -5.927 -13.365 1.00 1.41 H new ATOM 0 HA VAL A 113 9.475 -4.431 -11.441 1.00 53.41 H new ATOM 0 HB VAL A 113 9.511 -4.034 -14.462 1.00 61.14 H new ATOM 0 HG11 VAL A 113 9.184 -1.648 -13.955 1.00 71.10 H new ATOM 0 HG12 VAL A 113 7.812 -2.637 -13.400 1.00 71.10 H new ATOM 0 HG13 VAL A 113 9.013 -2.043 -12.228 1.00 71.10 H new ATOM 0 HG21 VAL A 113 11.463 -2.599 -14.019 1.00 75.21 H new ATOM 0 HG22 VAL A 113 11.386 -3.035 -12.295 1.00 75.21 H new ATOM 0 HG23 VAL A 113 11.750 -4.281 -13.512 1.00 75.21 H new ATOM 1667 N GLU A 114 7.409 -5.906 -13.525 1.00 33.11 N ATOM 1668 CA GLU A 114 6.008 -6.234 -13.765 1.00 43.35 C ATOM 1669 C GLU A 114 5.431 -7.039 -12.605 1.00 71.42 C ATOM 1670 O GLU A 114 4.270 -6.867 -12.231 1.00 40.34 O ATOM 1671 CB GLU A 114 5.862 -7.021 -15.070 1.00 4.44 C ATOM 1672 CG GLU A 114 5.696 -6.140 -16.296 1.00 55.15 C ATOM 1673 CD GLU A 114 4.335 -5.474 -16.356 1.00 13.43 C ATOM 1674 OE1 GLU A 114 4.279 -4.230 -16.256 1.00 11.14 O ATOM 1675 OE2 GLU A 114 3.326 -6.195 -16.502 1.00 21.04 O ATOM 0 H GLU A 114 8.068 -6.412 -14.116 1.00 33.11 H new ATOM 0 HA GLU A 114 5.452 -5.300 -13.848 1.00 43.35 H new ATOM 0 HB2 GLU A 114 6.740 -7.653 -15.203 1.00 4.44 H new ATOM 0 HB3 GLU A 114 5.001 -7.684 -14.990 1.00 4.44 H new ATOM 0 HG2 GLU A 114 6.471 -5.374 -16.296 1.00 55.15 H new ATOM 0 HG3 GLU A 114 5.842 -6.741 -17.193 1.00 55.15 H new ATOM 1682 N LEU A 115 6.249 -7.920 -12.040 1.00 32.23 N ATOM 1683 CA LEU A 115 5.821 -8.754 -10.922 1.00 34.01 C ATOM 1684 C LEU A 115 5.495 -7.901 -9.700 1.00 22.32 C ATOM 1685 O LEU A 115 4.553 -8.189 -8.962 1.00 33.11 O ATOM 1686 CB LEU A 115 6.908 -9.771 -10.573 1.00 23.50 C ATOM 1687 CG LEU A 115 6.867 -11.090 -11.347 1.00 3.24 C ATOM 1688 CD1 LEU A 115 8.188 -11.830 -11.210 1.00 24.44 C ATOM 1689 CD2 LEU A 115 5.715 -11.957 -10.862 1.00 33.14 C ATOM 0 H LEU A 115 7.212 -8.075 -12.337 1.00 32.23 H new ATOM 0 HA LEU A 115 4.918 -9.286 -11.222 1.00 34.01 H new ATOM 0 HB2 LEU A 115 7.880 -9.306 -10.739 1.00 23.50 H new ATOM 0 HB3 LEU A 115 6.839 -9.995 -9.509 1.00 23.50 H new ATOM 0 HG LEU A 115 6.707 -10.866 -12.402 1.00 3.24 H new ATOM 0 HD11 LEU A 115 8.140 -12.766 -11.767 1.00 24.44 H new ATOM 0 HD12 LEU A 115 8.994 -11.212 -11.606 1.00 24.44 H new ATOM 0 HD13 LEU A 115 8.378 -12.043 -10.158 1.00 24.44 H new ATOM 0 HD21 LEU A 115 5.701 -12.891 -11.424 1.00 33.14 H new ATOM 0 HD22 LEU A 115 5.844 -12.173 -9.801 1.00 33.14 H new ATOM 0 HD23 LEU A 115 4.774 -11.429 -11.013 1.00 33.14 H new ATOM 1701 N VAL A 116 6.280 -6.849 -9.493 1.00 3.21 N ATOM 1702 CA VAL A 116 6.074 -5.952 -8.362 1.00 51.53 C ATOM 1703 C VAL A 116 5.024 -4.894 -8.684 1.00 74.53 C ATOM 1704 O VAL A 116 4.259 -4.480 -7.814 1.00 54.32 O ATOM 1705 CB VAL A 116 7.384 -5.251 -7.956 1.00 12.34 C ATOM 1706 CG1 VAL A 116 7.918 -4.409 -9.104 1.00 51.51 C ATOM 1707 CG2 VAL A 116 7.168 -4.399 -6.714 1.00 2.50 C ATOM 0 H VAL A 116 7.065 -6.597 -10.094 1.00 3.21 H new ATOM 0 HA VAL A 116 5.726 -6.565 -7.531 1.00 51.53 H new ATOM 0 HB VAL A 116 8.127 -6.014 -7.722 1.00 12.34 H new ATOM 0 HG11 VAL A 116 8.844 -3.922 -8.798 1.00 51.51 H new ATOM 0 HG12 VAL A 116 8.112 -5.049 -9.965 1.00 51.51 H new ATOM 0 HG13 VAL A 116 7.181 -3.652 -9.373 1.00 51.51 H new ATOM 0 HG21 VAL A 116 8.103 -3.911 -6.441 1.00 2.50 H new ATOM 0 HG22 VAL A 116 6.410 -3.643 -6.919 1.00 2.50 H new ATOM 0 HG23 VAL A 116 6.835 -5.032 -5.892 1.00 2.50 H new ATOM 1717 N ALA A 117 4.992 -4.463 -9.941 1.00 2.11 N ATOM 1718 CA ALA A 117 4.034 -3.456 -10.379 1.00 11.20 C ATOM 1719 C ALA A 117 2.613 -3.840 -9.981 1.00 30.13 C ATOM 1720 O ALA A 117 1.902 -3.060 -9.346 1.00 73.04 O ATOM 1721 CB ALA A 117 4.127 -3.258 -11.885 1.00 30.42 C ATOM 0 H ALA A 117 5.619 -4.796 -10.674 1.00 2.11 H new ATOM 0 HA ALA A 117 4.281 -2.517 -9.884 1.00 11.20 H new ATOM 0 HB1 ALA A 117 3.406 -2.503 -12.198 1.00 30.42 H new ATOM 0 HB2 ALA A 117 5.133 -2.930 -12.147 1.00 30.42 H new ATOM 0 HB3 ALA A 117 3.909 -4.199 -12.390 1.00 30.42 H new ATOM 1727 N THR A 118 2.204 -5.048 -10.357 1.00 53.44 N ATOM 1728 CA THR A 118 0.867 -5.535 -10.041 1.00 50.33 C ATOM 1729 C THR A 118 0.566 -5.390 -8.554 1.00 4.41 C ATOM 1730 O THR A 118 -0.568 -5.110 -8.164 1.00 2.44 O ATOM 1731 CB THR A 118 0.697 -7.011 -10.446 1.00 73.12 C ATOM 1732 OG1 THR A 118 -0.567 -7.503 -9.985 1.00 25.00 O ATOM 1733 CG2 THR A 118 1.819 -7.863 -9.872 1.00 13.35 C ATOM 0 H THR A 118 2.780 -5.707 -10.881 1.00 53.44 H new ATOM 0 HA THR A 118 0.166 -4.926 -10.612 1.00 50.33 H new ATOM 0 HB THR A 118 0.736 -7.073 -11.534 1.00 73.12 H new ATOM 0 HG1 THR A 118 -0.668 -8.442 -10.248 1.00 25.00 H new ATOM 0 HG21 THR A 118 1.677 -8.901 -10.172 1.00 13.35 H new ATOM 0 HG22 THR A 118 2.777 -7.504 -10.248 1.00 13.35 H new ATOM 0 HG23 THR A 118 1.808 -7.795 -8.784 1.00 13.35 H new ATOM 1741 N LEU A 119 1.589 -5.581 -7.727 1.00 54.23 N ATOM 1742 CA LEU A 119 1.434 -5.470 -6.281 1.00 31.21 C ATOM 1743 C LEU A 119 1.376 -4.008 -5.850 1.00 33.23 C ATOM 1744 O LEU A 119 0.565 -3.632 -5.003 1.00 24.33 O ATOM 1745 CB LEU A 119 2.588 -6.178 -5.569 1.00 60.21 C ATOM 1746 CG LEU A 119 3.054 -7.495 -6.192 1.00 11.33 C ATOM 1747 CD1 LEU A 119 4.285 -8.020 -5.470 1.00 31.42 C ATOM 1748 CD2 LEU A 119 1.934 -8.525 -6.161 1.00 25.04 C ATOM 0 H LEU A 119 2.534 -5.813 -8.033 1.00 54.23 H new ATOM 0 HA LEU A 119 0.495 -5.949 -6.003 1.00 31.21 H new ATOM 0 HB2 LEU A 119 3.438 -5.496 -5.531 1.00 60.21 H new ATOM 0 HB3 LEU A 119 2.289 -6.372 -4.539 1.00 60.21 H new ATOM 0 HG LEU A 119 3.320 -7.309 -7.233 1.00 11.33 H new ATOM 0 HD11 LEU A 119 4.602 -8.957 -5.927 1.00 31.42 H new ATOM 0 HD12 LEU A 119 5.090 -7.289 -5.545 1.00 31.42 H new ATOM 0 HD13 LEU A 119 4.046 -8.190 -4.420 1.00 31.42 H new ATOM 0 HD21 LEU A 119 2.283 -9.456 -6.608 1.00 25.04 H new ATOM 0 HD22 LEU A 119 1.636 -8.708 -5.129 1.00 25.04 H new ATOM 0 HD23 LEU A 119 1.079 -8.150 -6.724 1.00 25.04 H new ATOM 1760 N SER A 120 2.239 -3.188 -6.440 1.00 11.32 N ATOM 1761 CA SER A 120 2.287 -1.767 -6.116 1.00 11.23 C ATOM 1762 C SER A 120 0.967 -1.085 -6.463 1.00 33.53 C ATOM 1763 O SER A 120 0.426 -0.317 -5.669 1.00 10.52 O ATOM 1764 CB SER A 120 3.436 -1.090 -6.865 1.00 51.43 C ATOM 1765 OG SER A 120 4.504 -1.994 -7.086 1.00 71.34 O ATOM 0 H SER A 120 2.915 -3.483 -7.145 1.00 11.32 H new ATOM 0 HA SER A 120 2.455 -1.670 -5.043 1.00 11.23 H new ATOM 0 HB2 SER A 120 3.076 -0.707 -7.820 1.00 51.43 H new ATOM 0 HB3 SER A 120 3.793 -0.234 -6.293 1.00 51.43 H new ATOM 0 HG SER A 120 4.215 -2.697 -7.705 1.00 71.34 H new