USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 THR OG1 : rot -62:sc= 0.126 USER MOD Single : A 4 THR OG1 : rot 120:sc= 1.26 USER MOD Single : A 7 SER OG : rot 62:sc= 1.29 USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.136 (180deg=-0.601) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -52:sc= -0.0308 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 101:sc= 1.3 USER MOD Single : A 35 SER OG : rot 180:sc= -0.252 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0473 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.34) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.0449 (180deg=-0.374) USER MOD ----------------------------------------------------------------- ATOM 33 N PHE A 3 0.198 10.167 0.238 1.00 0.64 N ATOM 34 CA PHE A 3 -0.647 9.127 0.817 1.00 0.59 C ATOM 35 C PHE A 3 -1.064 9.488 2.239 1.00 0.50 C ATOM 36 O PHE A 3 -0.261 9.412 3.169 1.00 0.55 O ATOM 37 CB PHE A 3 0.088 7.785 0.816 1.00 0.80 C ATOM 38 CG PHE A 3 0.538 7.348 -0.549 1.00 0.75 C ATOM 39 CD1 PHE A 3 1.630 7.945 -1.157 1.00 0.80 C ATOM 40 CD2 PHE A 3 -0.135 6.342 -1.223 1.00 1.47 C ATOM 41 CE1 PHE A 3 2.045 7.546 -2.413 1.00 1.39 C ATOM 42 CE2 PHE A 3 0.275 5.938 -2.479 1.00 2.25 C ATOM 43 CZ PHE A 3 1.373 6.538 -3.072 1.00 2.18 C ATOM 0 HA PHE A 3 -1.545 9.045 0.205 1.00 0.59 H new ATOM 0 HB2 PHE A 3 0.957 7.855 1.471 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -0.567 7.021 1.236 1.00 0.80 H new ATOM 0 HD1 PHE A 3 2.163 8.731 -0.643 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -0.989 5.869 -0.762 1.00 1.47 H new ATOM 0 HE1 PHE A 3 2.895 8.023 -2.878 1.00 1.39 H new ATOM 0 HE2 PHE A 3 -0.260 5.156 -2.997 1.00 2.25 H new ATOM 0 HZ PHE A 3 1.703 6.217 -4.049 1.00 2.18 H new ATOM 52 N THR A 4 -2.322 9.881 2.397 1.00 0.53 N ATOM 53 CA THR A 4 -2.848 10.249 3.706 1.00 0.49 C ATOM 54 C THR A 4 -3.749 9.152 4.263 1.00 0.45 C ATOM 55 O THR A 4 -4.304 8.353 3.509 1.00 0.45 O ATOM 56 CB THR A 4 -3.643 11.567 3.645 1.00 0.57 C ATOM 57 OG1 THR A 4 -4.673 11.473 2.652 1.00 0.61 O ATOM 58 CG2 THR A 4 -2.726 12.737 3.325 1.00 0.66 C ATOM 0 H THR A 4 -2.997 9.953 1.635 1.00 0.53 H new ATOM 0 HA THR A 4 -1.990 10.383 4.364 1.00 0.49 H new ATOM 0 HB THR A 4 -4.096 11.739 4.621 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.548 11.598 3.075 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.310 13.657 3.287 1.00 0.66 H new ATOM 0 HG22 THR A 4 -1.963 12.823 4.098 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.248 12.571 2.360 1.00 0.66 H new ATOM 66 N PRO A 5 -3.902 9.097 5.596 1.00 0.47 N ATOM 67 CA PRO A 5 -4.739 8.088 6.252 1.00 0.51 C ATOM 68 C PRO A 5 -6.228 8.373 6.087 1.00 0.51 C ATOM 69 O PRO A 5 -6.830 9.080 6.896 1.00 0.65 O ATOM 70 CB PRO A 5 -4.333 8.203 7.722 1.00 0.62 C ATOM 71 CG PRO A 5 -3.907 9.621 7.878 1.00 0.58 C ATOM 72 CD PRO A 5 -3.273 10.012 6.569 1.00 0.53 C ATOM 0 HA PRO A 5 -4.593 7.095 5.828 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -5.165 7.963 8.384 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -3.523 7.516 7.966 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.759 10.261 8.105 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -3.200 9.727 8.701 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.469 11.056 6.324 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -2.190 9.889 6.594 1.00 0.53 H new ATOM 77 N ASP A 6 -6.816 7.825 5.028 1.00 0.74 N ATOM 78 CA ASP A 6 -8.235 8.018 4.752 1.00 0.84 C ATOM 79 C ASP A 6 -8.630 7.347 3.442 1.00 0.71 C ATOM 80 O ASP A 6 -9.718 6.782 3.325 1.00 0.67 O ATOM 81 CB ASP A 6 -8.568 9.511 4.690 1.00 1.07 C ATOM 82 CG ASP A 6 -7.722 10.251 3.672 1.00 2.06 C ATOM 83 OD1 ASP A 6 -8.083 10.234 2.477 1.00 2.51 O ATOM 84 OD2 ASP A 6 -6.699 10.846 4.070 1.00 2.69 O ATOM 0 H ASP A 6 -6.330 7.243 4.346 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.801 7.559 5.563 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -9.622 9.635 4.441 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -8.418 9.955 5.674 1.00 1.07 H new ATOM 88 N SER A 7 -7.739 7.412 2.459 1.00 0.77 N ATOM 89 CA SER A 7 -7.993 6.811 1.155 1.00 0.72 C ATOM 90 C SER A 7 -7.273 5.474 1.021 1.00 0.54 C ATOM 91 O SER A 7 -6.248 5.243 1.663 1.00 0.67 O ATOM 92 CB SER A 7 -7.544 7.756 0.040 1.00 0.96 C ATOM 93 OG SER A 7 -8.241 8.989 0.102 1.00 1.89 O ATOM 0 H SER A 7 -6.834 7.875 2.540 1.00 0.77 H new ATOM 0 HA SER A 7 -9.065 6.636 1.067 1.00 0.72 H new ATOM 0 HB2 SER A 7 -6.472 7.936 0.122 1.00 0.96 H new ATOM 0 HB3 SER A 7 -7.715 7.287 -0.929 1.00 0.96 H new ATOM 0 HG SER A 7 -8.047 9.432 0.954 1.00 1.89 H new ATOM 98 N ALA A 8 -7.815 4.599 0.181 1.00 0.47 N ATOM 99 CA ALA A 8 -7.222 3.285 -0.041 1.00 0.35 C ATOM 100 C ALA A 8 -6.262 3.314 -1.226 1.00 0.31 C ATOM 101 O ALA A 8 -6.348 4.191 -2.086 1.00 0.38 O ATOM 102 CB ALA A 8 -8.309 2.245 -0.265 1.00 0.44 C ATOM 0 H ALA A 8 -8.663 4.776 -0.357 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.655 3.013 0.849 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.851 1.270 -0.429 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -8.955 2.199 0.612 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -8.901 2.520 -1.138 1.00 0.44 H new ATOM 108 N TRP A 9 -5.349 2.350 -1.263 1.00 0.30 N ATOM 109 CA TRP A 9 -4.372 2.265 -2.341 1.00 0.30 C ATOM 110 C TRP A 9 -4.161 0.816 -2.766 1.00 0.32 C ATOM 111 O TRP A 9 -4.750 -0.100 -2.190 1.00 0.39 O ATOM 112 CB TRP A 9 -3.043 2.881 -1.899 1.00 0.34 C ATOM 113 CG TRP A 9 -3.194 4.252 -1.313 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.450 4.561 -0.008 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.105 5.499 -2.013 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.524 5.924 0.147 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.316 6.522 -1.068 1.00 0.42 C ATOM 118 CE3 TRP A 9 -2.864 5.852 -3.345 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.296 7.870 -1.413 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -2.846 7.191 -3.686 1.00 0.69 C ATOM 121 CH2 TRP A 9 -3.060 8.186 -2.724 1.00 0.66 C ATOM 0 H TRP A 9 -5.265 1.617 -0.559 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.756 2.823 -3.195 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.574 2.228 -1.163 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.370 2.931 -2.755 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.576 3.840 0.786 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.705 6.412 1.024 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.695 5.092 -4.093 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.461 8.639 -0.673 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -2.664 7.475 -4.712 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -3.038 9.224 -3.022 1.00 0.66 H new ATOM 131 N LYS A 10 -3.319 0.610 -3.773 1.00 0.34 N ATOM 132 CA LYS A 10 -3.039 -0.732 -4.267 1.00 0.37 C ATOM 133 C LYS A 10 -1.542 -1.024 -4.258 1.00 0.34 C ATOM 134 O LYS A 10 -0.732 -0.173 -4.622 1.00 0.34 O ATOM 135 CB LYS A 10 -3.594 -0.909 -5.680 1.00 0.43 C ATOM 136 CG LYS A 10 -5.109 -0.997 -5.733 1.00 1.01 C ATOM 137 CD LYS A 10 -5.597 -1.356 -7.128 1.00 1.03 C ATOM 138 CE LYS A 10 -7.098 -1.588 -7.147 1.00 1.28 C ATOM 139 NZ LYS A 10 -7.508 -2.639 -6.175 1.00 2.04 N ATOM 0 H LYS A 10 -2.820 1.353 -4.262 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.530 -1.439 -3.599 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.265 -0.073 -6.297 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.171 -1.814 -6.117 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.456 -1.746 -5.021 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.541 -0.043 -5.429 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -5.342 -0.555 -7.822 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.084 -2.253 -7.475 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -7.613 -0.656 -6.913 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -7.408 -1.880 -8.150 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -8.451 -2.998 -6.429 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -6.822 -3.421 -6.199 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -7.538 -2.234 -5.218 1.00 2.04 H new ATOM 149 N ILE A 11 -1.186 -2.233 -3.838 1.00 0.36 N ATOM 150 CA ILE A 11 0.212 -2.645 -3.781 1.00 0.36 C ATOM 151 C ILE A 11 0.740 -2.956 -5.178 1.00 0.32 C ATOM 152 O ILE A 11 0.160 -3.764 -5.903 1.00 0.38 O ATOM 153 CB ILE A 11 0.394 -3.888 -2.889 1.00 0.41 C ATOM 154 CG1 ILE A 11 -0.138 -3.618 -1.481 1.00 0.48 C ATOM 155 CG2 ILE A 11 1.860 -4.295 -2.839 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.061 -4.778 -0.529 1.00 0.56 C ATOM 0 H ILE A 11 -1.848 -2.946 -3.531 1.00 0.36 H new ATOM 0 HA ILE A 11 0.775 -1.816 -3.353 1.00 0.36 H new ATOM 0 HB ILE A 11 -0.177 -4.711 -3.319 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.359 -2.736 -1.076 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -1.201 -3.385 -1.541 1.00 0.48 H new ATOM 0 HG21 ILE A 11 1.972 -5.174 -2.205 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.208 -4.527 -3.846 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.451 -3.476 -2.430 1.00 0.43 H new ATOM 0 HD11 ILE A 11 -0.339 -4.517 0.451 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.459 -5.656 -0.912 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.125 -4.997 -0.440 1.00 0.56 H new ATOM 167 N THR A 12 1.842 -2.311 -5.545 1.00 0.28 N ATOM 168 CA THR A 12 2.451 -2.516 -6.853 1.00 0.27 C ATOM 169 C THR A 12 3.972 -2.557 -6.743 1.00 0.27 C ATOM 170 O THR A 12 4.684 -1.913 -7.513 1.00 0.30 O ATOM 171 CB THR A 12 2.041 -1.409 -7.841 1.00 0.30 C ATOM 172 OG1 THR A 12 0.627 -1.191 -7.773 1.00 0.91 O ATOM 173 CG2 THR A 12 2.429 -1.778 -9.264 1.00 0.97 C ATOM 0 H THR A 12 2.332 -1.640 -4.953 1.00 0.28 H new ATOM 0 HA THR A 12 2.091 -3.473 -7.230 1.00 0.27 H new ATOM 0 HB THR A 12 2.566 -0.495 -7.563 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.374 -0.484 -8.403 1.00 0.91 H new ATOM 0 HG21 THR A 12 2.128 -0.979 -9.942 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.509 -1.916 -9.323 1.00 0.97 H new ATOM 0 HG23 THR A 12 1.929 -2.704 -9.549 1.00 0.97 H new ATOM 181 N GLY A 13 4.466 -3.319 -5.773 1.00 0.29 N ATOM 182 CA GLY A 13 5.898 -3.434 -5.574 1.00 0.33 C ATOM 183 C GLY A 13 6.622 -3.916 -6.816 1.00 0.37 C ATOM 184 O GLY A 13 6.852 -5.114 -6.984 1.00 0.45 O ATOM 0 H GLY A 13 3.899 -3.860 -5.120 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.299 -2.465 -5.277 1.00 0.33 H new ATOM 0 HA3 GLY A 13 6.093 -4.124 -4.753 1.00 0.33 H new ATOM 188 N PHE A 14 6.983 -2.979 -7.689 1.00 0.34 N ATOM 189 CA PHE A 14 7.689 -3.313 -8.922 1.00 0.41 C ATOM 190 C PHE A 14 8.722 -2.243 -9.258 1.00 0.39 C ATOM 191 O PHE A 14 8.401 -1.229 -9.878 1.00 0.43 O ATOM 192 CB PHE A 14 6.699 -3.463 -10.079 1.00 0.50 C ATOM 193 CG PHE A 14 7.356 -3.754 -11.398 1.00 0.60 C ATOM 194 CD1 PHE A 14 7.768 -5.038 -11.713 1.00 0.70 C ATOM 195 CD2 PHE A 14 7.561 -2.743 -12.323 1.00 0.69 C ATOM 196 CE1 PHE A 14 8.369 -5.310 -12.927 1.00 0.81 C ATOM 197 CE2 PHE A 14 8.163 -3.007 -13.539 1.00 0.79 C ATOM 198 CZ PHE A 14 8.568 -4.293 -13.841 1.00 0.81 C ATOM 0 H PHE A 14 6.798 -1.984 -7.565 1.00 0.34 H new ATOM 0 HA PHE A 14 8.205 -4.261 -8.772 1.00 0.41 H new ATOM 0 HB2 PHE A 14 5.999 -4.266 -9.846 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.115 -2.547 -10.168 1.00 0.50 H new ATOM 0 HD1 PHE A 14 7.618 -5.836 -11.001 1.00 0.70 H new ATOM 0 HD2 PHE A 14 7.247 -1.736 -12.091 1.00 0.69 H new ATOM 0 HE1 PHE A 14 8.683 -6.316 -13.161 1.00 0.81 H new ATOM 0 HE2 PHE A 14 8.316 -2.210 -14.251 1.00 0.79 H new ATOM 0 HZ PHE A 14 9.039 -4.503 -14.790 1.00 0.81 H new ATOM 207 N SER A 15 9.962 -2.476 -8.842 1.00 0.40 N ATOM 208 CA SER A 15 11.042 -1.529 -9.096 1.00 0.41 C ATOM 209 C SER A 15 11.849 -1.936 -10.323 1.00 0.43 C ATOM 210 O SER A 15 11.509 -2.897 -11.013 1.00 0.48 O ATOM 211 CB SER A 15 11.965 -1.434 -7.879 1.00 0.39 C ATOM 212 OG SER A 15 11.227 -1.171 -6.698 1.00 0.76 O ATOM 0 H SER A 15 10.244 -3.311 -8.328 1.00 0.40 H new ATOM 0 HA SER A 15 10.594 -0.553 -9.284 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.519 -2.366 -7.765 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.699 -0.644 -8.036 1.00 0.39 H new ATOM 0 HG SER A 15 10.647 -0.394 -6.841 1.00 0.76 H new ATOM 217 N ARG A 16 12.920 -1.196 -10.586 1.00 0.57 N ATOM 218 CA ARG A 16 13.781 -1.475 -11.727 1.00 0.61 C ATOM 219 C ARG A 16 14.828 -2.525 -11.371 1.00 0.59 C ATOM 220 O ARG A 16 15.289 -3.275 -12.232 1.00 0.63 O ATOM 221 CB ARG A 16 14.472 -0.193 -12.198 1.00 0.69 C ATOM 222 CG ARG A 16 13.533 0.803 -12.859 1.00 1.14 C ATOM 223 CD ARG A 16 12.405 1.223 -11.929 1.00 1.37 C ATOM 224 NE ARG A 16 11.616 2.313 -12.495 1.00 2.19 N ATOM 225 CZ ARG A 16 10.574 2.866 -11.884 1.00 2.67 C ATOM 226 NH1 ARG A 16 10.195 2.433 -10.690 1.00 2.41 N ATOM 227 NH2 ARG A 16 9.910 3.853 -12.468 1.00 3.58 N ATOM 0 H ARG A 16 13.212 -0.397 -10.023 1.00 0.57 H new ATOM 0 HA ARG A 16 13.159 -1.862 -12.534 1.00 0.61 H new ATOM 0 HB2 ARG A 16 14.951 0.285 -11.344 1.00 0.69 H new ATOM 0 HB3 ARG A 16 15.262 -0.455 -12.901 1.00 0.69 H new ATOM 0 HG2 ARG A 16 14.096 1.684 -13.167 1.00 1.14 H new ATOM 0 HG3 ARG A 16 13.113 0.361 -13.763 1.00 1.14 H new ATOM 0 HD2 ARG A 16 11.757 0.368 -11.733 1.00 1.37 H new ATOM 0 HD3 ARG A 16 12.820 1.534 -10.970 1.00 1.37 H new ATOM 0 HE ARG A 16 11.880 2.671 -13.413 1.00 2.19 H new ATOM 0 HH11 ARG A 16 10.704 1.673 -10.238 1.00 2.41 H new ATOM 0 HH12 ARG A 16 9.395 2.860 -10.223 1.00 2.41 H new ATOM 0 HH21 ARG A 16 10.199 4.188 -13.387 1.00 3.58 H new ATOM 0 HH22 ARG A 16 9.110 4.277 -11.999 1.00 3.58 H new ATOM 238 N ASP A 17 15.199 -2.571 -10.096 1.00 0.58 N ATOM 239 CA ASP A 17 16.191 -3.526 -9.623 1.00 0.63 C ATOM 240 C ASP A 17 15.809 -4.073 -8.251 1.00 0.57 C ATOM 241 O ASP A 17 16.672 -4.429 -7.449 1.00 0.62 O ATOM 242 CB ASP A 17 17.571 -2.867 -9.560 1.00 0.77 C ATOM 243 CG ASP A 17 18.662 -3.838 -9.153 1.00 1.61 C ATOM 244 OD1 ASP A 17 19.198 -4.535 -10.040 1.00 2.48 O ATOM 245 OD2 ASP A 17 18.982 -3.900 -7.947 1.00 1.86 O ATOM 0 H ASP A 17 14.826 -1.957 -9.372 1.00 0.58 H new ATOM 0 HA ASP A 17 16.225 -4.358 -10.326 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.812 -2.443 -10.535 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.543 -2.040 -8.851 1.00 0.77 H new ATOM 249 N ILE A 18 14.506 -4.148 -7.989 1.00 0.51 N ATOM 250 CA ILE A 18 14.002 -4.656 -6.712 1.00 0.50 C ATOM 251 C ILE A 18 14.779 -5.890 -6.249 1.00 0.50 C ATOM 252 O ILE A 18 15.266 -6.673 -7.065 1.00 0.57 O ATOM 253 CB ILE A 18 12.503 -5.008 -6.812 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.991 -5.575 -5.485 1.00 0.52 C ATOM 255 CG2 ILE A 18 12.266 -5.996 -7.944 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.540 -6.005 -5.531 1.00 0.56 C ATOM 0 H ILE A 18 13.778 -3.863 -8.644 1.00 0.51 H new ATOM 0 HA ILE A 18 14.140 -3.861 -5.979 1.00 0.50 H new ATOM 0 HB ILE A 18 11.948 -4.095 -7.028 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.606 -6.430 -5.203 1.00 0.52 H new ATOM 0 HG13 ILE A 18 12.114 -4.823 -4.706 1.00 0.52 H new ATOM 0 HG21 ILE A 18 11.204 -6.235 -8.002 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.591 -5.555 -8.886 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.833 -6.908 -7.756 1.00 0.47 H new ATOM 0 HD11 ILE A 18 10.245 -6.396 -4.557 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.914 -5.148 -5.782 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.414 -6.780 -6.287 1.00 0.56 H new ATOM 267 N SER A 19 14.888 -6.054 -4.933 1.00 0.57 N ATOM 268 CA SER A 19 15.604 -7.187 -4.357 1.00 0.59 C ATOM 269 C SER A 19 14.630 -8.193 -3.747 1.00 0.52 C ATOM 270 O SER A 19 13.509 -7.839 -3.385 1.00 0.50 O ATOM 271 CB SER A 19 16.590 -6.701 -3.292 1.00 0.70 C ATOM 272 OG SER A 19 17.532 -5.798 -3.844 1.00 1.50 O ATOM 0 H SER A 19 14.489 -5.415 -4.245 1.00 0.57 H new ATOM 0 HA SER A 19 16.156 -7.683 -5.155 1.00 0.59 H new ATOM 0 HB2 SER A 19 16.046 -6.214 -2.483 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.111 -7.554 -2.857 1.00 0.70 H new ATOM 0 HG SER A 19 18.150 -5.501 -3.144 1.00 1.50 H new ATOM 277 N PRO A 20 15.051 -9.464 -3.620 1.00 0.54 N ATOM 278 CA PRO A 20 14.210 -10.522 -3.049 1.00 0.51 C ATOM 279 C PRO A 20 13.874 -10.264 -1.587 1.00 0.53 C ATOM 280 O PRO A 20 12.827 -10.687 -1.099 1.00 0.51 O ATOM 281 CB PRO A 20 15.066 -11.783 -3.181 1.00 0.55 C ATOM 282 CG PRO A 20 16.464 -11.285 -3.294 1.00 0.61 C ATOM 283 CD PRO A 20 16.376 -9.971 -4.016 1.00 0.61 C ATOM 0 HA PRO A 20 13.250 -10.592 -3.560 1.00 0.51 H new ATOM 0 HB2 PRO A 20 14.947 -12.434 -2.315 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.781 -12.364 -4.058 1.00 0.55 H new ATOM 0 HG2 PRO A 20 16.915 -11.160 -2.310 1.00 0.61 H new ATOM 0 HG3 PRO A 20 17.087 -11.991 -3.843 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.174 -9.292 -3.717 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.454 -10.098 -5.096 1.00 0.61 H new ATOM 288 N ALA A 21 14.767 -9.562 -0.893 1.00 0.58 N ATOM 289 CA ALA A 21 14.561 -9.248 0.516 1.00 0.64 C ATOM 290 C ALA A 21 13.151 -8.720 0.754 1.00 0.62 C ATOM 291 O ALA A 21 12.466 -9.144 1.684 1.00 0.65 O ATOM 292 CB ALA A 21 15.597 -8.238 0.989 1.00 0.71 C ATOM 0 H ALA A 21 15.638 -9.201 -1.283 1.00 0.58 H new ATOM 0 HA ALA A 21 14.680 -10.165 1.093 1.00 0.64 H new ATOM 0 HB1 ALA A 21 15.431 -8.013 2.043 1.00 0.71 H new ATOM 0 HB2 ALA A 21 16.596 -8.654 0.860 1.00 0.71 H new ATOM 0 HB3 ALA A 21 15.507 -7.323 0.404 1.00 0.71 H new ATOM 298 N TYR A 22 12.729 -7.785 -0.091 1.00 0.60 N ATOM 299 CA TYR A 22 11.395 -7.206 0.014 1.00 0.61 C ATOM 300 C TYR A 22 10.380 -8.056 -0.747 1.00 0.54 C ATOM 301 O TYR A 22 9.299 -8.355 -0.242 1.00 0.57 O ATOM 302 CB TYR A 22 11.391 -5.777 -0.530 1.00 0.66 C ATOM 303 CG TYR A 22 12.367 -4.858 0.168 1.00 0.90 C ATOM 304 CD1 TYR A 22 13.696 -4.794 -0.228 1.00 1.28 C ATOM 305 CD2 TYR A 22 11.957 -4.052 1.223 1.00 0.99 C ATOM 306 CE1 TYR A 22 14.591 -3.956 0.410 1.00 1.72 C ATOM 307 CE2 TYR A 22 12.845 -3.211 1.865 1.00 1.34 C ATOM 308 CZ TYR A 22 14.164 -3.169 1.453 1.00 1.72 C ATOM 309 OH TYR A 22 15.048 -2.330 2.091 1.00 2.17 O ATOM 0 H TYR A 22 13.292 -7.412 -0.856 1.00 0.60 H new ATOM 0 HA TYR A 22 11.113 -7.184 1.067 1.00 0.61 H new ATOM 0 HB2 TYR A 22 11.627 -5.802 -1.594 1.00 0.66 H new ATOM 0 HB3 TYR A 22 10.386 -5.365 -0.436 1.00 0.66 H new ATOM 0 HD1 TYR A 22 14.036 -5.409 -1.048 1.00 1.28 H new ATOM 0 HD2 TYR A 22 10.927 -4.084 1.546 1.00 0.99 H new ATOM 0 HE1 TYR A 22 15.622 -3.920 0.090 1.00 1.72 H new ATOM 0 HE2 TYR A 22 12.511 -2.590 2.683 1.00 1.34 H new ATOM 0 HH TYR A 22 14.582 -1.845 2.804 1.00 2.17 H new ATOM 318 N ARG A 23 10.743 -8.439 -1.968 1.00 0.48 N ATOM 319 CA ARG A 23 9.873 -9.247 -2.817 1.00 0.44 C ATOM 320 C ARG A 23 9.472 -10.545 -2.123 1.00 0.45 C ATOM 321 O ARG A 23 8.286 -10.818 -1.937 1.00 0.45 O ATOM 322 CB ARG A 23 10.574 -9.562 -4.141 1.00 0.45 C ATOM 323 CG ARG A 23 9.710 -10.341 -5.121 1.00 0.54 C ATOM 324 CD ARG A 23 8.520 -9.523 -5.592 1.00 0.53 C ATOM 325 NE ARG A 23 7.700 -10.257 -6.552 1.00 0.70 N ATOM 326 CZ ARG A 23 6.843 -9.675 -7.386 1.00 1.08 C ATOM 327 NH1 ARG A 23 6.703 -8.357 -7.382 1.00 1.57 N ATOM 328 NH2 ARG A 23 6.129 -10.413 -8.227 1.00 1.47 N ATOM 0 H ARG A 23 11.639 -8.201 -2.393 1.00 0.48 H new ATOM 0 HA ARG A 23 8.968 -8.672 -3.013 1.00 0.44 H new ATOM 0 HB2 ARG A 23 10.885 -8.628 -4.608 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.480 -10.133 -3.935 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.311 -10.638 -5.981 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.358 -11.257 -4.647 1.00 0.54 H new ATOM 0 HD2 ARG A 23 7.910 -9.242 -4.733 1.00 0.53 H new ATOM 0 HD3 ARG A 23 8.873 -8.598 -6.048 1.00 0.53 H new ATOM 0 HE ARG A 23 7.790 -11.273 -6.585 1.00 0.70 H new ATOM 0 HH11 ARG A 23 7.253 -7.788 -6.739 1.00 1.57 H new ATOM 0 HH12 ARG A 23 6.045 -7.912 -8.022 1.00 1.57 H new ATOM 0 HH21 ARG A 23 6.237 -11.427 -8.234 1.00 1.47 H new ATOM 0 HH22 ARG A 23 5.472 -9.966 -8.866 1.00 1.47 H new ATOM 339 N GLN A 24 10.467 -11.343 -1.741 1.00 0.49 N ATOM 340 CA GLN A 24 10.217 -12.618 -1.069 1.00 0.55 C ATOM 341 C GLN A 24 9.143 -12.487 0.010 1.00 0.58 C ATOM 342 O GLN A 24 8.439 -13.451 0.317 1.00 0.66 O ATOM 343 CB GLN A 24 11.510 -13.148 -0.448 1.00 0.69 C ATOM 344 CG GLN A 24 12.573 -13.502 -1.472 1.00 1.52 C ATOM 345 CD GLN A 24 12.159 -14.652 -2.369 1.00 2.03 C ATOM 346 OE1 GLN A 24 11.560 -14.448 -3.424 1.00 2.61 O ATOM 347 NE2 GLN A 24 12.476 -15.871 -1.949 1.00 2.69 N ATOM 0 H GLN A 24 11.454 -11.130 -1.885 1.00 0.49 H new ATOM 0 HA GLN A 24 9.856 -13.321 -1.820 1.00 0.55 H new ATOM 0 HB2 GLN A 24 11.910 -12.398 0.235 1.00 0.69 H new ATOM 0 HB3 GLN A 24 11.282 -14.032 0.148 1.00 0.69 H new ATOM 0 HG2 GLN A 24 12.787 -12.627 -2.085 1.00 1.52 H new ATOM 0 HG3 GLN A 24 13.497 -13.763 -0.956 1.00 1.52 H new ATOM 0 HE21 GLN A 24 12.973 -15.993 -1.067 1.00 2.69 H new ATOM 0 HE22 GLN A 24 12.222 -16.685 -2.508 1.00 2.69 H new ATOM 354 N LYS A 25 9.021 -11.295 0.582 1.00 0.59 N ATOM 355 CA LYS A 25 8.031 -11.044 1.622 1.00 0.68 C ATOM 356 C LYS A 25 6.614 -11.157 1.067 1.00 0.61 C ATOM 357 O LYS A 25 5.729 -11.713 1.715 1.00 0.71 O ATOM 358 CB LYS A 25 8.239 -9.657 2.229 1.00 0.79 C ATOM 359 CG LYS A 25 9.640 -9.433 2.771 1.00 0.99 C ATOM 360 CD LYS A 25 9.972 -10.420 3.878 1.00 1.43 C ATOM 361 CE LYS A 25 8.992 -10.308 5.033 1.00 2.05 C ATOM 362 NZ LYS A 25 9.363 -11.202 6.164 1.00 2.59 N ATOM 0 H LYS A 25 9.596 -10.487 0.343 1.00 0.59 H new ATOM 0 HA LYS A 25 8.160 -11.799 2.398 1.00 0.68 H new ATOM 0 HB2 LYS A 25 8.027 -8.903 1.471 1.00 0.79 H new ATOM 0 HB3 LYS A 25 7.519 -9.511 3.035 1.00 0.79 H new ATOM 0 HG2 LYS A 25 10.365 -9.533 1.963 1.00 0.99 H new ATOM 0 HG3 LYS A 25 9.726 -8.415 3.151 1.00 0.99 H new ATOM 0 HD2 LYS A 25 9.954 -11.435 3.480 1.00 1.43 H new ATOM 0 HD3 LYS A 25 10.984 -10.237 4.239 1.00 1.43 H new ATOM 0 HE2 LYS A 25 8.958 -9.276 5.382 1.00 2.05 H new ATOM 0 HE3 LYS A 25 7.990 -10.560 4.685 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 8.670 -11.096 6.932 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 9.370 -12.190 5.838 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 10.308 -10.946 6.513 1.00 2.59 H new ATOM 372 N LEU A 26 6.409 -10.629 -0.135 1.00 0.55 N ATOM 373 CA LEU A 26 5.098 -10.664 -0.772 1.00 0.57 C ATOM 374 C LEU A 26 4.753 -12.073 -1.245 1.00 0.60 C ATOM 375 O LEU A 26 3.711 -12.622 -0.886 1.00 0.68 O ATOM 376 CB LEU A 26 5.052 -9.691 -1.953 1.00 0.55 C ATOM 377 CG LEU A 26 4.988 -8.209 -1.574 1.00 0.69 C ATOM 378 CD1 LEU A 26 3.718 -7.914 -0.788 1.00 1.30 C ATOM 379 CD2 LEU A 26 6.218 -7.805 -0.773 1.00 1.29 C ATOM 0 H LEU A 26 7.134 -10.172 -0.688 1.00 0.55 H new ATOM 0 HA LEU A 26 4.359 -10.361 -0.031 1.00 0.57 H new ATOM 0 HB2 LEU A 26 5.935 -9.854 -2.572 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.184 -9.930 -2.567 1.00 0.55 H new ATOM 0 HG LEU A 26 4.970 -7.621 -2.492 1.00 0.69 H new ATOM 0 HD11 LEU A 26 3.689 -6.856 -0.527 1.00 1.30 H new ATOM 0 HD12 LEU A 26 2.848 -8.162 -1.396 1.00 1.30 H new ATOM 0 HD13 LEU A 26 3.706 -8.513 0.123 1.00 1.30 H new ATOM 0 HD21 LEU A 26 6.153 -6.748 -0.514 1.00 1.29 H new ATOM 0 HD22 LEU A 26 6.270 -8.400 0.139 1.00 1.29 H new ATOM 0 HD23 LEU A 26 7.114 -7.977 -1.370 1.00 1.29 H new ATOM 390 N LEU A 27 5.633 -12.653 -2.051 1.00 0.59 N ATOM 391 CA LEU A 27 5.418 -13.995 -2.578 1.00 0.71 C ATOM 392 C LEU A 27 5.071 -14.976 -1.462 1.00 0.82 C ATOM 393 O LEU A 27 4.364 -15.959 -1.684 1.00 0.95 O ATOM 394 CB LEU A 27 6.659 -14.476 -3.330 1.00 0.75 C ATOM 395 CG LEU A 27 7.099 -13.580 -4.488 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.262 -14.210 -5.239 1.00 0.82 C ATOM 397 CD2 LEU A 27 5.934 -13.316 -5.430 1.00 0.77 C ATOM 0 H LEU A 27 6.503 -12.215 -2.354 1.00 0.59 H new ATOM 0 HA LEU A 27 4.576 -13.953 -3.269 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.484 -14.562 -2.623 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.466 -15.476 -3.717 1.00 0.75 H new ATOM 0 HG LEU A 27 7.432 -12.627 -4.078 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.561 -13.558 -6.060 1.00 0.82 H new ATOM 0 HD12 LEU A 27 9.103 -14.347 -4.559 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.956 -15.177 -5.637 1.00 0.82 H new ATOM 0 HD21 LEU A 27 6.265 -12.677 -6.248 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.570 -14.261 -5.833 1.00 0.77 H new ATOM 0 HD23 LEU A 27 5.130 -12.821 -4.885 1.00 0.77 H new ATOM 408 N SER A 28 5.573 -14.704 -0.262 1.00 0.84 N ATOM 409 CA SER A 28 5.316 -15.566 0.887 1.00 0.98 C ATOM 410 C SER A 28 3.916 -15.332 1.447 1.00 0.89 C ATOM 411 O SER A 28 3.305 -16.238 2.015 1.00 0.99 O ATOM 412 CB SER A 28 6.360 -15.321 1.978 1.00 1.15 C ATOM 413 OG SER A 28 7.668 -15.592 1.506 1.00 1.64 O ATOM 0 H SER A 28 6.160 -13.894 -0.059 1.00 0.84 H new ATOM 0 HA SER A 28 5.383 -16.601 0.552 1.00 0.98 H new ATOM 0 HB2 SER A 28 6.300 -14.287 2.317 1.00 1.15 H new ATOM 0 HB3 SER A 28 6.144 -15.952 2.840 1.00 1.15 H new ATOM 0 HG SER A 28 8.117 -14.749 1.286 1.00 1.64 H new ATOM 418 N LEU A 29 3.410 -14.113 1.282 1.00 0.78 N ATOM 419 CA LEU A 29 2.082 -13.763 1.775 1.00 0.78 C ATOM 420 C LEU A 29 1.020 -13.983 0.703 1.00 0.74 C ATOM 421 O LEU A 29 -0.152 -14.198 1.013 1.00 0.82 O ATOM 422 CB LEU A 29 2.054 -12.308 2.244 1.00 0.86 C ATOM 423 CG LEU A 29 3.029 -11.969 3.373 1.00 1.06 C ATOM 424 CD1 LEU A 29 2.905 -10.506 3.763 1.00 1.64 C ATOM 425 CD2 LEU A 29 2.784 -12.867 4.577 1.00 1.42 C ATOM 0 H LEU A 29 3.899 -13.352 0.811 1.00 0.78 H new ATOM 0 HA LEU A 29 1.857 -14.415 2.619 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.272 -11.664 1.392 1.00 0.86 H new ATOM 0 HB3 LEU A 29 1.043 -12.069 2.574 1.00 0.86 H new ATOM 0 HG LEU A 29 4.044 -12.144 3.016 1.00 1.06 H new ATOM 0 HD11 LEU A 29 3.606 -10.283 4.567 1.00 1.64 H new ATOM 0 HD12 LEU A 29 3.131 -9.879 2.900 1.00 1.64 H new ATOM 0 HD13 LEU A 29 1.889 -10.305 4.101 1.00 1.64 H new ATOM 0 HD21 LEU A 29 3.487 -12.612 5.370 1.00 1.42 H new ATOM 0 HD22 LEU A 29 1.765 -12.725 4.936 1.00 1.42 H new ATOM 0 HD23 LEU A 29 2.925 -13.909 4.289 1.00 1.42 H new ATOM 436 N GLY A 30 1.432 -13.926 -0.560 1.00 0.68 N ATOM 437 CA GLY A 30 0.498 -14.127 -1.653 1.00 0.73 C ATOM 438 C GLY A 30 -0.062 -12.827 -2.197 1.00 0.71 C ATOM 439 O GLY A 30 -1.143 -12.811 -2.786 1.00 0.82 O ATOM 0 H GLY A 30 2.394 -13.745 -0.846 1.00 0.68 H new ATOM 0 HA2 GLY A 30 0.998 -14.666 -2.457 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -0.324 -14.756 -1.311 1.00 0.73 H new ATOM 443 N MET A 31 0.669 -11.734 -2.004 1.00 0.63 N ATOM 444 CA MET A 31 0.233 -10.430 -2.489 1.00 0.66 C ATOM 445 C MET A 31 1.099 -9.975 -3.659 1.00 0.56 C ATOM 446 O MET A 31 2.128 -9.327 -3.470 1.00 0.54 O ATOM 447 CB MET A 31 0.286 -9.390 -1.365 1.00 0.74 C ATOM 448 CG MET A 31 -0.741 -9.620 -0.267 1.00 0.94 C ATOM 449 SD MET A 31 -0.444 -11.137 0.661 1.00 1.95 S ATOM 450 CE MET A 31 -1.758 -11.051 1.876 1.00 2.55 C ATOM 0 H MET A 31 1.565 -11.725 -1.516 1.00 0.63 H new ATOM 0 HA MET A 31 -0.798 -10.525 -2.831 1.00 0.66 H new ATOM 0 HB2 MET A 31 1.283 -9.396 -0.924 1.00 0.74 H new ATOM 0 HB3 MET A 31 0.132 -8.399 -1.792 1.00 0.74 H new ATOM 0 HG2 MET A 31 -0.730 -8.772 0.418 1.00 0.94 H new ATOM 0 HG3 MET A 31 -1.736 -9.659 -0.709 1.00 0.94 H new ATOM 0 HE1 MET A 31 -1.708 -11.923 2.528 1.00 2.55 H new ATOM 0 HE2 MET A 31 -1.644 -10.146 2.472 1.00 2.55 H new ATOM 0 HE3 MET A 31 -2.722 -11.032 1.368 1.00 2.55 H new ATOM 458 N LEU A 32 0.675 -10.327 -4.870 1.00 0.56 N ATOM 459 CA LEU A 32 1.412 -9.960 -6.075 1.00 0.49 C ATOM 460 C LEU A 32 1.032 -8.553 -6.533 1.00 0.44 C ATOM 461 O LEU A 32 -0.014 -8.030 -6.148 1.00 0.45 O ATOM 462 CB LEU A 32 1.142 -10.970 -7.195 1.00 0.52 C ATOM 463 CG LEU A 32 1.795 -12.343 -7.009 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.319 -12.998 -5.722 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.496 -13.236 -8.206 1.00 0.66 C ATOM 0 H LEU A 32 -0.174 -10.865 -5.042 1.00 0.56 H new ATOM 0 HA LEU A 32 2.476 -9.972 -5.840 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.065 -11.108 -7.286 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.490 -10.545 -8.137 1.00 0.52 H new ATOM 0 HG LEU A 32 2.874 -12.204 -6.939 1.00 0.59 H new ATOM 0 HD11 LEU A 32 1.796 -13.972 -5.611 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.582 -12.366 -4.873 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.237 -13.126 -5.757 1.00 0.69 H new ATOM 0 HD21 LEU A 32 1.966 -14.209 -8.061 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.418 -13.365 -8.304 1.00 0.66 H new ATOM 0 HD23 LEU A 32 1.890 -12.774 -9.112 1.00 0.66 H new ATOM 476 N PRO A 33 1.880 -7.922 -7.365 1.00 0.41 N ATOM 477 CA PRO A 33 1.627 -6.572 -7.869 1.00 0.40 C ATOM 478 C PRO A 33 0.187 -6.389 -8.336 1.00 0.38 C ATOM 479 O PRO A 33 -0.279 -7.091 -9.236 1.00 0.51 O ATOM 480 CB PRO A 33 2.593 -6.454 -9.047 1.00 0.43 C ATOM 481 CG PRO A 33 3.730 -7.348 -8.689 1.00 0.45 C ATOM 482 CD PRO A 33 3.143 -8.480 -7.885 1.00 0.43 C ATOM 0 HA PRO A 33 1.773 -5.812 -7.101 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.122 -6.765 -9.979 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.926 -5.425 -9.186 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.226 -7.723 -9.584 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.481 -6.809 -8.111 1.00 0.45 H new ATOM 0 HD2 PRO A 33 2.967 -9.361 -8.503 1.00 0.43 H new ATOM 0 HD3 PRO A 33 3.809 -8.785 -7.077 1.00 0.43 H new ATOM 487 N GLY A 34 -0.514 -5.446 -7.718 1.00 0.34 N ATOM 488 CA GLY A 34 -1.893 -5.188 -8.079 1.00 0.33 C ATOM 489 C GLY A 34 -2.858 -5.519 -6.957 1.00 0.31 C ATOM 490 O GLY A 34 -4.044 -5.749 -7.197 1.00 0.40 O ATOM 0 H GLY A 34 -0.150 -4.854 -6.971 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.004 -4.138 -8.351 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.150 -5.775 -8.961 1.00 0.33 H new ATOM 494 N SER A 35 -2.350 -5.542 -5.728 1.00 0.28 N ATOM 495 CA SER A 35 -3.177 -5.847 -4.566 1.00 0.28 C ATOM 496 C SER A 35 -3.710 -4.564 -3.937 1.00 0.28 C ATOM 497 O SER A 35 -3.344 -3.467 -4.351 1.00 0.37 O ATOM 498 CB SER A 35 -2.375 -6.645 -3.531 1.00 0.31 C ATOM 499 OG SER A 35 -3.185 -7.007 -2.427 1.00 0.62 O ATOM 0 H SER A 35 -1.371 -5.353 -5.512 1.00 0.28 H new ATOM 0 HA SER A 35 -4.021 -6.451 -4.897 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.967 -7.542 -3.996 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.529 -6.051 -3.186 1.00 0.31 H new ATOM 0 HG SER A 35 -2.651 -7.516 -1.782 1.00 0.62 H new ATOM 504 N SER A 36 -4.577 -4.709 -2.939 1.00 0.25 N ATOM 505 CA SER A 36 -5.161 -3.554 -2.265 1.00 0.25 C ATOM 506 C SER A 36 -4.764 -3.518 -0.791 1.00 0.23 C ATOM 507 O SER A 36 -4.385 -4.537 -0.214 1.00 0.28 O ATOM 508 CB SER A 36 -6.685 -3.582 -2.392 1.00 0.30 C ATOM 509 OG SER A 36 -7.275 -2.476 -1.732 1.00 1.30 O ATOM 0 H SER A 36 -4.890 -5.611 -2.580 1.00 0.25 H new ATOM 0 HA SER A 36 -4.776 -2.655 -2.746 1.00 0.25 H new ATOM 0 HB2 SER A 36 -6.965 -3.572 -3.445 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.071 -4.509 -1.969 1.00 0.30 H new ATOM 0 HG SER A 36 -8.249 -2.518 -1.830 1.00 1.30 H new ATOM 514 N PHE A 37 -4.853 -2.334 -0.190 1.00 0.22 N ATOM 515 CA PHE A 37 -4.506 -2.163 1.217 1.00 0.23 C ATOM 516 C PHE A 37 -4.963 -0.798 1.721 1.00 0.23 C ATOM 517 O PHE A 37 -5.342 0.071 0.936 1.00 0.33 O ATOM 518 CB PHE A 37 -2.998 -2.315 1.420 1.00 0.25 C ATOM 519 CG PHE A 37 -2.193 -1.184 0.845 1.00 0.26 C ATOM 520 CD1 PHE A 37 -1.945 -1.113 -0.515 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.684 -0.193 1.669 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.202 -0.073 -1.044 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.942 0.848 1.146 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.701 0.908 -0.212 1.00 0.33 C ATOM 0 H PHE A 37 -5.162 -1.480 -0.655 1.00 0.22 H new ATOM 0 HA PHE A 37 -5.018 -2.937 1.789 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.790 -2.391 2.487 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.672 -3.250 0.964 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.336 -1.878 -1.170 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.870 -0.235 2.732 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.014 -0.029 -2.107 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.551 1.614 1.799 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.121 1.721 -0.623 1.00 0.33 H new ATOM 533 N HIS A 38 -4.922 -0.612 3.038 1.00 0.21 N ATOM 534 CA HIS A 38 -5.330 0.649 3.644 1.00 0.24 C ATOM 535 C HIS A 38 -4.183 1.273 4.432 1.00 0.24 C ATOM 536 O HIS A 38 -3.302 0.570 4.925 1.00 0.40 O ATOM 537 CB HIS A 38 -6.535 0.435 4.561 1.00 0.28 C ATOM 538 CG HIS A 38 -7.785 0.056 3.828 1.00 1.17 C ATOM 539 ND1 HIS A 38 -8.257 -1.239 3.760 1.00 2.13 N ATOM 540 CD2 HIS A 38 -8.664 0.812 3.130 1.00 1.98 C ATOM 541 CE1 HIS A 38 -9.370 -1.261 3.051 1.00 2.94 C ATOM 542 NE2 HIS A 38 -9.639 -0.030 2.657 1.00 2.82 N ATOM 0 H HIS A 38 -4.610 -1.319 3.704 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.610 1.332 2.842 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -6.297 -0.345 5.284 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.718 1.349 5.126 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -8.609 1.879 2.974 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -9.961 -2.138 2.830 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -10.441 0.250 2.093 1.00 2.82 H new ATOM 550 N VAL A 39 -4.201 2.597 4.541 1.00 0.27 N ATOM 551 CA VAL A 39 -3.164 3.317 5.269 1.00 0.27 C ATOM 552 C VAL A 39 -3.515 3.429 6.749 1.00 0.28 C ATOM 553 O VAL A 39 -4.656 3.720 7.106 1.00 0.40 O ATOM 554 CB VAL A 39 -2.955 4.729 4.694 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.813 5.432 5.408 1.00 1.28 C ATOM 556 CG2 VAL A 39 -2.699 4.664 3.196 1.00 0.88 C ATOM 0 H VAL A 39 -4.922 3.193 4.134 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.241 2.748 5.158 1.00 0.27 H new ATOM 0 HB VAL A 39 -3.865 5.306 4.858 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.680 6.429 4.988 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -2.043 5.514 6.470 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -0.895 4.858 5.279 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -2.554 5.672 2.808 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -1.806 4.069 3.005 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -3.554 4.204 2.700 1.00 0.88 H new ATOM 566 N VAL A 40 -2.527 3.194 7.607 1.00 0.24 N ATOM 567 CA VAL A 40 -2.737 3.267 9.049 1.00 0.34 C ATOM 568 C VAL A 40 -2.230 4.588 9.620 1.00 0.37 C ATOM 569 O VAL A 40 -2.865 5.182 10.492 1.00 0.54 O ATOM 570 CB VAL A 40 -2.041 2.102 9.775 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.283 2.182 11.274 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.519 0.768 9.221 1.00 0.43 C ATOM 0 H VAL A 40 -1.576 2.952 7.330 1.00 0.24 H new ATOM 0 HA VAL A 40 -3.812 3.199 9.214 1.00 0.34 H new ATOM 0 HB VAL A 40 -0.968 2.180 9.601 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -1.783 1.349 11.768 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -1.887 3.122 11.657 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.354 2.132 11.473 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.017 -0.045 9.746 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.596 0.680 9.362 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.287 0.712 8.157 1.00 0.43 H new ATOM 582 N ARG A 41 -1.084 5.043 9.126 1.00 0.27 N ATOM 583 CA ARG A 41 -0.492 6.292 9.591 1.00 0.31 C ATOM 584 C ARG A 41 0.671 6.709 8.696 1.00 0.31 C ATOM 585 O ARG A 41 1.602 5.935 8.473 1.00 0.40 O ATOM 586 CB ARG A 41 -0.014 6.144 11.036 1.00 0.40 C ATOM 587 CG ARG A 41 0.987 5.016 11.233 1.00 0.47 C ATOM 588 CD ARG A 41 1.478 4.948 12.670 1.00 0.57 C ATOM 589 NE ARG A 41 0.384 4.727 13.612 1.00 1.37 N ATOM 590 CZ ARG A 41 0.516 4.841 14.930 1.00 1.62 C ATOM 591 NH1 ARG A 41 1.688 5.175 15.453 1.00 0.94 N ATOM 592 NH2 ARG A 41 -0.522 4.620 15.725 1.00 2.80 N ATOM 0 H ARG A 41 -0.546 4.565 8.403 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.256 7.068 9.546 1.00 0.31 H new ATOM 0 HB2 ARG A 41 0.440 7.081 11.358 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -0.877 5.970 11.679 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.525 4.067 10.961 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.836 5.161 10.564 1.00 0.47 H new ATOM 0 HD2 ARG A 41 2.207 4.144 12.766 1.00 0.57 H new ATOM 0 HD3 ARG A 41 1.992 5.876 12.922 1.00 0.57 H new ATOM 0 HE ARG A 41 -0.530 4.472 13.239 1.00 1.37 H new ATOM 0 HH11 ARG A 41 2.489 5.345 14.844 1.00 0.94 H new ATOM 0 HH12 ARG A 41 1.789 5.262 16.464 1.00 0.94 H new ATOM 0 HH21 ARG A 41 -1.424 4.362 15.326 1.00 2.80 H new ATOM 0 HH22 ARG A 41 -0.418 4.708 16.736 1.00 2.80 H new ATOM 603 N VAL A 42 0.612 7.934 8.187 1.00 0.33 N ATOM 604 CA VAL A 42 1.659 8.445 7.311 1.00 0.39 C ATOM 605 C VAL A 42 2.017 9.888 7.658 1.00 0.43 C ATOM 606 O VAL A 42 1.228 10.602 8.277 1.00 0.49 O ATOM 607 CB VAL A 42 1.235 8.370 5.833 1.00 0.52 C ATOM 608 CG1 VAL A 42 2.346 8.878 4.930 1.00 0.97 C ATOM 609 CG2 VAL A 42 0.855 6.948 5.459 1.00 1.20 C ATOM 0 H VAL A 42 -0.148 8.590 8.365 1.00 0.33 H new ATOM 0 HA VAL A 42 2.535 7.815 7.463 1.00 0.39 H new ATOM 0 HB VAL A 42 0.362 9.008 5.695 1.00 0.52 H new ATOM 0 HG11 VAL A 42 2.026 8.817 3.890 1.00 0.97 H new ATOM 0 HG12 VAL A 42 2.572 9.915 5.179 1.00 0.97 H new ATOM 0 HG13 VAL A 42 3.238 8.268 5.072 1.00 0.97 H new ATOM 0 HG21 VAL A 42 0.558 6.914 4.411 1.00 1.20 H new ATOM 0 HG22 VAL A 42 1.710 6.290 5.615 1.00 1.20 H new ATOM 0 HG23 VAL A 42 0.024 6.618 6.082 1.00 1.20 H new ATOM 619 N ALA A 43 3.212 10.308 7.252 1.00 0.47 N ATOM 620 CA ALA A 43 3.680 11.663 7.517 1.00 0.55 C ATOM 621 C ALA A 43 4.542 12.183 6.363 1.00 0.69 C ATOM 622 O ALA A 43 5.662 11.714 6.161 1.00 0.81 O ATOM 623 CB ALA A 43 4.465 11.698 8.818 1.00 0.55 C ATOM 0 H ALA A 43 3.874 9.727 6.737 1.00 0.47 H new ATOM 0 HA ALA A 43 2.810 12.313 7.608 1.00 0.55 H new ATOM 0 HB1 ALA A 43 4.810 12.714 9.007 1.00 0.55 H new ATOM 0 HB2 ALA A 43 3.825 11.374 9.638 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.324 11.031 8.743 1.00 0.55 H new ATOM 629 N PRO A 44 4.030 13.159 5.588 1.00 0.83 N ATOM 630 CA PRO A 44 4.764 13.735 4.458 1.00 1.00 C ATOM 631 C PRO A 44 6.227 14.009 4.784 1.00 0.98 C ATOM 632 O PRO A 44 7.098 13.887 3.923 1.00 1.15 O ATOM 633 CB PRO A 44 4.020 15.043 4.203 1.00 1.14 C ATOM 634 CG PRO A 44 2.616 14.760 4.614 1.00 1.34 C ATOM 635 CD PRO A 44 2.698 13.773 5.751 1.00 1.00 C ATOM 0 HA PRO A 44 4.794 13.061 3.602 1.00 1.00 H new ATOM 0 HB2 PRO A 44 4.446 15.862 4.783 1.00 1.14 H new ATOM 0 HB3 PRO A 44 4.076 15.333 3.154 1.00 1.14 H new ATOM 0 HG2 PRO A 44 2.111 15.674 4.928 1.00 1.34 H new ATOM 0 HG3 PRO A 44 2.043 14.349 3.783 1.00 1.34 H new ATOM 0 HD2 PRO A 44 2.601 14.267 6.718 1.00 1.00 H new ATOM 0 HD3 PRO A 44 1.904 13.028 5.692 1.00 1.00 H new ATOM 640 N LEU A 45 6.490 14.382 6.030 1.00 0.85 N ATOM 641 CA LEU A 45 7.849 14.676 6.468 1.00 0.90 C ATOM 642 C LEU A 45 8.786 13.511 6.170 1.00 0.91 C ATOM 643 O LEU A 45 9.989 13.698 5.995 1.00 1.23 O ATOM 644 CB LEU A 45 7.866 14.988 7.967 1.00 0.90 C ATOM 645 CG LEU A 45 7.112 16.254 8.374 1.00 1.76 C ATOM 646 CD1 LEU A 45 7.135 16.426 9.884 1.00 2.51 C ATOM 647 CD2 LEU A 45 7.711 17.473 7.689 1.00 2.25 C ATOM 0 H LEU A 45 5.781 14.488 6.755 1.00 0.85 H new ATOM 0 HA LEU A 45 8.200 15.548 5.915 1.00 0.90 H new ATOM 0 HB2 LEU A 45 7.439 14.141 8.504 1.00 0.90 H new ATOM 0 HB3 LEU A 45 8.902 15.081 8.291 1.00 0.90 H new ATOM 0 HG LEU A 45 6.074 16.155 8.055 1.00 1.76 H new ATOM 0 HD11 LEU A 45 6.594 17.332 10.155 1.00 2.51 H new ATOM 0 HD12 LEU A 45 6.661 15.565 10.356 1.00 2.51 H new ATOM 0 HD13 LEU A 45 8.167 16.504 10.226 1.00 2.51 H new ATOM 0 HD21 LEU A 45 7.162 18.366 7.990 1.00 2.25 H new ATOM 0 HD22 LEU A 45 8.757 17.575 7.978 1.00 2.25 H new ATOM 0 HD23 LEU A 45 7.643 17.353 6.608 1.00 2.25 H new ATOM 658 N GLY A 46 8.224 12.307 6.110 1.00 0.72 N ATOM 659 CA GLY A 46 9.024 11.128 5.837 1.00 0.72 C ATOM 660 C GLY A 46 9.125 10.218 7.043 1.00 0.66 C ATOM 661 O GLY A 46 10.034 10.359 7.862 1.00 0.77 O ATOM 0 H GLY A 46 7.229 12.128 6.246 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.586 10.578 5.004 1.00 0.72 H new ATOM 0 HA3 GLY A 46 10.024 11.432 5.528 1.00 0.72 H new ATOM 665 N ASP A 47 8.189 9.283 7.155 1.00 0.53 N ATOM 666 CA ASP A 47 8.169 8.353 8.275 1.00 0.49 C ATOM 667 C ASP A 47 7.700 6.971 7.831 1.00 0.46 C ATOM 668 O ASP A 47 7.262 6.792 6.694 1.00 0.46 O ATOM 669 CB ASP A 47 7.255 8.899 9.376 1.00 0.45 C ATOM 670 CG ASP A 47 7.685 10.275 9.847 1.00 0.78 C ATOM 671 OD1 ASP A 47 7.489 11.249 9.091 1.00 0.94 O ATOM 672 OD2 ASP A 47 8.220 10.377 10.972 1.00 1.07 O ATOM 0 H ASP A 47 7.434 9.150 6.483 1.00 0.53 H new ATOM 0 HA ASP A 47 9.182 8.251 8.664 1.00 0.49 H new ATOM 0 HB2 ASP A 47 6.231 8.947 9.005 1.00 0.45 H new ATOM 0 HB3 ASP A 47 7.256 8.211 10.221 1.00 0.45 H new ATOM 676 N PRO A 48 7.789 5.970 8.725 1.00 0.47 N ATOM 677 CA PRO A 48 7.372 4.606 8.426 1.00 0.47 C ATOM 678 C PRO A 48 5.879 4.415 8.641 1.00 0.37 C ATOM 679 O PRO A 48 5.361 4.634 9.736 1.00 0.38 O ATOM 680 CB PRO A 48 8.170 3.753 9.427 1.00 0.56 C ATOM 681 CG PRO A 48 8.938 4.714 10.286 1.00 0.61 C ATOM 682 CD PRO A 48 8.326 6.071 10.080 1.00 0.53 C ATOM 0 HA PRO A 48 7.557 4.339 7.385 1.00 0.47 H new ATOM 0 HB2 PRO A 48 7.503 3.139 10.032 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.844 3.073 8.907 1.00 0.56 H new ATOM 0 HG2 PRO A 48 8.885 4.422 11.335 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.993 4.720 10.010 1.00 0.61 H new ATOM 0 HD2 PRO A 48 7.546 6.280 10.812 1.00 0.53 H new ATOM 0 HD3 PRO A 48 9.065 6.867 10.166 1.00 0.53 H new ATOM 687 N VAL A 49 5.194 4.005 7.582 1.00 0.32 N ATOM 688 CA VAL A 49 3.756 3.791 7.628 1.00 0.26 C ATOM 689 C VAL A 49 3.424 2.300 7.628 1.00 0.28 C ATOM 690 O VAL A 49 4.234 1.469 7.214 1.00 0.39 O ATOM 691 CB VAL A 49 3.060 4.499 6.437 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.857 4.290 5.159 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.617 4.032 6.260 1.00 0.31 C ATOM 0 H VAL A 49 5.617 3.813 6.674 1.00 0.32 H new ATOM 0 HA VAL A 49 3.382 4.223 8.556 1.00 0.26 H new ATOM 0 HB VAL A 49 3.027 5.565 6.660 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.356 4.793 4.332 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.858 4.704 5.283 1.00 0.35 H new ATOM 0 HG13 VAL A 49 3.929 3.224 4.945 1.00 0.35 H new ATOM 0 HG21 VAL A 49 1.167 4.553 5.415 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.602 2.958 6.074 1.00 0.31 H new ATOM 0 HG23 VAL A 49 1.050 4.251 7.165 1.00 0.31 H new ATOM 703 N HIS A 50 2.224 1.977 8.095 1.00 0.29 N ATOM 704 CA HIS A 50 1.769 0.594 8.158 1.00 0.31 C ATOM 705 C HIS A 50 0.587 0.375 7.221 1.00 0.29 C ATOM 706 O HIS A 50 -0.371 1.148 7.222 1.00 0.31 O ATOM 707 CB HIS A 50 1.372 0.232 9.590 1.00 0.34 C ATOM 708 CG HIS A 50 2.508 0.310 10.565 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.825 -0.713 11.433 1.00 1.13 N ATOM 710 CD2 HIS A 50 3.402 1.298 10.808 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.864 -0.357 12.169 1.00 0.85 C ATOM 712 NE2 HIS A 50 4.231 0.859 11.810 1.00 0.68 N ATOM 0 H HIS A 50 1.546 2.658 8.437 1.00 0.29 H new ATOM 0 HA HIS A 50 2.589 -0.051 7.842 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.576 0.901 9.918 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.964 -0.779 9.601 1.00 0.34 H new ATOM 0 HD2 HIS A 50 3.453 2.253 10.307 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.333 -0.959 12.934 1.00 0.85 H new ATOM 0 HE2 HIS A 50 5.005 1.387 12.212 1.00 0.68 H new ATOM 720 N ILE A 51 0.661 -0.683 6.417 1.00 0.32 N ATOM 721 CA ILE A 51 -0.406 -1.000 5.478 1.00 0.32 C ATOM 722 C ILE A 51 -1.278 -2.133 6.005 1.00 0.32 C ATOM 723 O ILE A 51 -0.782 -3.080 6.614 1.00 0.31 O ATOM 724 CB ILE A 51 0.153 -1.392 4.096 1.00 0.34 C ATOM 725 CG1 ILE A 51 1.039 -2.633 4.207 1.00 0.34 C ATOM 726 CG2 ILE A 51 0.932 -0.234 3.493 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.642 -3.058 2.886 1.00 0.36 C ATOM 0 H ILE A 51 1.447 -1.332 6.399 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.010 -0.099 5.369 1.00 0.32 H new ATOM 0 HB ILE A 51 -0.684 -1.627 3.439 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.841 -2.436 4.918 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.450 -3.456 4.611 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.321 -0.526 2.517 1.00 0.36 H new ATOM 0 HG22 ILE A 51 0.274 0.627 3.379 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.761 0.028 4.150 1.00 0.36 H new ATOM 0 HD11 ILE A 51 2.259 -3.944 3.036 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.845 -3.287 2.179 1.00 0.36 H new ATOM 0 HD13 ILE A 51 2.257 -2.250 2.490 1.00 0.36 H new ATOM 738 N GLU A 52 -2.580 -2.031 5.767 1.00 0.36 N ATOM 739 CA GLU A 52 -3.521 -3.044 6.222 1.00 0.39 C ATOM 740 C GLU A 52 -4.028 -3.884 5.056 1.00 0.42 C ATOM 741 O GLU A 52 -4.805 -3.410 4.227 1.00 0.43 O ATOM 742 CB GLU A 52 -4.698 -2.386 6.943 1.00 0.45 C ATOM 743 CG GLU A 52 -5.597 -3.376 7.664 1.00 1.01 C ATOM 744 CD GLU A 52 -4.865 -4.145 8.745 1.00 1.46 C ATOM 745 OE1 GLU A 52 -4.702 -3.599 9.857 1.00 1.91 O ATOM 746 OE2 GLU A 52 -4.450 -5.293 8.478 1.00 2.13 O ATOM 0 H GLU A 52 -3.008 -1.256 5.261 1.00 0.36 H new ATOM 0 HA GLU A 52 -2.999 -3.702 6.916 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.315 -1.664 7.664 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.292 -1.829 6.219 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.437 -2.842 8.108 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -6.012 -4.078 6.941 1.00 1.01 H new ATOM 751 N THR A 53 -3.580 -5.135 4.997 1.00 0.52 N ATOM 752 CA THR A 53 -3.989 -6.044 3.936 1.00 0.58 C ATOM 753 C THR A 53 -4.936 -7.115 4.470 1.00 0.61 C ATOM 754 O THR A 53 -5.409 -7.028 5.604 1.00 0.60 O ATOM 755 CB THR A 53 -2.772 -6.721 3.277 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.145 -7.613 4.206 1.00 0.55 O ATOM 757 CG2 THR A 53 -1.764 -5.683 2.807 1.00 0.64 C ATOM 0 H THR A 53 -2.933 -5.541 5.673 1.00 0.52 H new ATOM 0 HA THR A 53 -4.508 -5.448 3.185 1.00 0.58 H new ATOM 0 HB THR A 53 -3.122 -7.284 2.412 1.00 0.59 H new ATOM 0 HG1 THR A 53 -1.820 -7.105 4.979 1.00 0.55 H new ATOM 0 HG21 THR A 53 -0.914 -6.185 2.345 1.00 0.64 H new ATOM 0 HG22 THR A 53 -2.235 -5.022 2.079 1.00 0.64 H new ATOM 0 HG23 THR A 53 -1.420 -5.097 3.660 1.00 0.64 H new ATOM 765 N ARG A 54 -5.210 -8.126 3.651 1.00 0.68 N ATOM 766 CA ARG A 54 -6.103 -9.210 4.043 1.00 0.73 C ATOM 767 C ARG A 54 -5.643 -9.870 5.340 1.00 0.67 C ATOM 768 O ARG A 54 -4.772 -10.738 5.332 1.00 0.69 O ATOM 769 CB ARG A 54 -6.188 -10.253 2.928 1.00 0.84 C ATOM 770 CG ARG A 54 -6.552 -9.663 1.574 1.00 1.47 C ATOM 771 CD ARG A 54 -7.895 -8.951 1.620 1.00 1.53 C ATOM 772 NE ARG A 54 -8.254 -8.372 0.328 1.00 2.10 N ATOM 773 CZ ARG A 54 -9.362 -7.665 0.121 1.00 2.32 C ATOM 774 NH1 ARG A 54 -10.212 -7.453 1.115 1.00 1.97 N ATOM 775 NH2 ARG A 54 -9.619 -7.169 -1.082 1.00 3.04 N ATOM 0 H ARG A 54 -4.826 -8.217 2.711 1.00 0.68 H new ATOM 0 HA ARG A 54 -7.091 -8.783 4.214 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -5.230 -10.766 2.847 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -6.929 -11.004 3.200 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -5.778 -8.962 1.261 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -6.585 -10.456 0.827 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -8.668 -9.655 1.929 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -7.862 -8.164 2.373 1.00 1.53 H new ATOM 0 HE ARG A 54 -7.621 -8.518 -0.458 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -10.018 -7.832 2.042 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -11.061 -6.911 0.953 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -8.967 -7.329 -1.850 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -10.469 -6.627 -1.239 1.00 3.04 H new ATOM 786 N ARG A 55 -6.233 -9.445 6.452 1.00 0.66 N ATOM 787 CA ARG A 55 -5.901 -9.996 7.759 1.00 0.66 C ATOM 788 C ARG A 55 -4.398 -9.960 8.022 1.00 0.62 C ATOM 789 O ARG A 55 -3.867 -10.810 8.736 1.00 0.70 O ATOM 790 CB ARG A 55 -6.407 -11.436 7.870 1.00 0.73 C ATOM 791 CG ARG A 55 -7.917 -11.560 7.761 1.00 1.06 C ATOM 792 CD ARG A 55 -8.367 -13.002 7.919 1.00 1.67 C ATOM 793 NE ARG A 55 -9.819 -13.132 7.836 1.00 2.43 N ATOM 794 CZ ARG A 55 -10.474 -14.262 8.078 1.00 3.17 C ATOM 795 NH1 ARG A 55 -9.809 -15.358 8.418 1.00 3.34 N ATOM 796 NH2 ARG A 55 -11.796 -14.298 7.982 1.00 4.11 N ATOM 0 H ARG A 55 -6.947 -8.717 6.473 1.00 0.66 H new ATOM 0 HA ARG A 55 -6.391 -9.376 8.509 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -5.944 -12.036 7.087 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -6.084 -11.853 8.824 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -8.390 -10.944 8.525 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -8.246 -11.178 6.795 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -7.903 -13.614 7.145 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -8.022 -13.387 8.879 1.00 1.67 H new ATOM 0 HE ARG A 55 -10.361 -12.308 7.577 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -8.792 -15.335 8.494 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -10.314 -16.224 8.603 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -12.312 -13.457 7.722 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -12.297 -15.167 8.168 1.00 4.11 H new ATOM 807 N VAL A 56 -3.718 -8.972 7.453 1.00 0.58 N ATOM 808 CA VAL A 56 -2.277 -8.842 7.640 1.00 0.57 C ATOM 809 C VAL A 56 -1.832 -7.387 7.538 1.00 0.49 C ATOM 810 O VAL A 56 -1.904 -6.776 6.472 1.00 0.50 O ATOM 811 CB VAL A 56 -1.497 -9.683 6.610 1.00 0.66 C ATOM 812 CG1 VAL A 56 0.002 -9.544 6.828 1.00 1.02 C ATOM 813 CG2 VAL A 56 -1.918 -11.142 6.685 1.00 1.23 C ATOM 0 H VAL A 56 -4.137 -8.254 6.862 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.057 -9.213 8.641 1.00 0.57 H new ATOM 0 HB VAL A 56 -1.732 -9.309 5.613 1.00 0.66 H new ATOM 0 HG11 VAL A 56 0.534 -10.145 6.091 1.00 1.02 H new ATOM 0 HG12 VAL A 56 0.290 -8.498 6.720 1.00 1.02 H new ATOM 0 HG13 VAL A 56 0.257 -9.889 7.830 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -1.357 -11.721 5.951 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -1.715 -11.528 7.684 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -2.984 -11.224 6.474 1.00 1.23 H new ATOM 823 N SER A 57 -1.373 -6.837 8.658 1.00 0.48 N ATOM 824 CA SER A 57 -0.908 -5.457 8.698 1.00 0.43 C ATOM 825 C SER A 57 0.610 -5.397 8.561 1.00 0.42 C ATOM 826 O SER A 57 1.341 -5.791 9.471 1.00 0.46 O ATOM 827 CB SER A 57 -1.343 -4.786 10.003 1.00 0.51 C ATOM 828 OG SER A 57 -0.913 -3.436 10.052 1.00 0.64 O ATOM 0 H SER A 57 -1.314 -7.328 9.550 1.00 0.48 H new ATOM 0 HA SER A 57 -1.354 -4.922 7.860 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.428 -4.828 10.093 1.00 0.51 H new ATOM 0 HB3 SER A 57 -0.931 -5.333 10.851 1.00 0.51 H new ATOM 0 HG SER A 57 -1.205 -3.030 10.895 1.00 0.64 H new ATOM 833 N LEU A 58 1.075 -4.902 7.422 1.00 0.38 N ATOM 834 CA LEU A 58 2.505 -4.798 7.160 1.00 0.40 C ATOM 835 C LEU A 58 3.010 -3.380 7.405 1.00 0.37 C ATOM 836 O LEU A 58 2.226 -2.434 7.476 1.00 0.38 O ATOM 837 CB LEU A 58 2.808 -5.214 5.719 1.00 0.43 C ATOM 838 CG LEU A 58 2.399 -6.643 5.359 1.00 0.96 C ATOM 839 CD1 LEU A 58 2.554 -6.882 3.864 1.00 1.50 C ATOM 840 CD2 LEU A 58 3.226 -7.645 6.152 1.00 1.54 C ATOM 0 H LEU A 58 0.482 -4.566 6.663 1.00 0.38 H new ATOM 0 HA LEU A 58 3.021 -5.468 7.847 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.300 -4.526 5.044 1.00 0.43 H new ATOM 0 HB3 LEU A 58 3.878 -5.103 5.542 1.00 0.43 H new ATOM 0 HG LEU A 58 1.349 -6.780 5.619 1.00 0.96 H new ATOM 0 HD11 LEU A 58 2.258 -7.904 3.626 1.00 1.50 H new ATOM 0 HD12 LEU A 58 1.920 -6.184 3.316 1.00 1.50 H new ATOM 0 HD13 LEU A 58 3.594 -6.729 3.577 1.00 1.50 H new ATOM 0 HD21 LEU A 58 2.924 -8.658 5.886 1.00 1.54 H new ATOM 0 HD22 LEU A 58 4.282 -7.509 5.921 1.00 1.54 H new ATOM 0 HD23 LEU A 58 3.065 -7.487 7.218 1.00 1.54 H new ATOM 851 N VAL A 59 4.326 -3.242 7.533 1.00 0.41 N ATOM 852 CA VAL A 59 4.940 -1.940 7.765 1.00 0.40 C ATOM 853 C VAL A 59 5.945 -1.610 6.667 1.00 0.40 C ATOM 854 O VAL A 59 6.718 -2.469 6.241 1.00 0.47 O ATOM 855 CB VAL A 59 5.655 -1.886 9.127 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.785 -2.902 9.180 1.00 0.50 C ATOM 857 CG2 VAL A 59 6.176 -0.483 9.399 1.00 0.45 C ATOM 0 H VAL A 59 4.988 -4.016 7.480 1.00 0.41 H new ATOM 0 HA VAL A 59 4.135 -1.205 7.759 1.00 0.40 H new ATOM 0 HB VAL A 59 4.935 -2.140 9.905 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.278 -2.848 10.151 1.00 0.50 H new ATOM 0 HG12 VAL A 59 6.381 -3.904 9.034 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.508 -2.684 8.394 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.679 -0.463 10.366 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.881 -0.199 8.618 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.342 0.219 9.409 1.00 0.45 H new ATOM 867 N LEU A 60 5.930 -0.362 6.213 1.00 0.39 N ATOM 868 CA LEU A 60 6.838 0.078 5.161 1.00 0.40 C ATOM 869 C LEU A 60 7.596 1.331 5.584 1.00 0.38 C ATOM 870 O LEU A 60 7.018 2.260 6.147 1.00 0.48 O ATOM 871 CB LEU A 60 6.062 0.347 3.871 1.00 0.45 C ATOM 872 CG LEU A 60 5.324 -0.865 3.297 1.00 0.61 C ATOM 873 CD1 LEU A 60 4.598 -0.491 2.014 1.00 0.77 C ATOM 874 CD2 LEU A 60 6.294 -2.010 3.050 1.00 0.97 C ATOM 0 H LEU A 60 5.299 0.362 6.557 1.00 0.39 H new ATOM 0 HA LEU A 60 7.562 -0.718 4.983 1.00 0.40 H new ATOM 0 HB2 LEU A 60 5.338 1.139 4.059 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.756 0.721 3.118 1.00 0.45 H new ATOM 0 HG LEU A 60 4.582 -1.194 4.025 1.00 0.61 H new ATOM 0 HD11 LEU A 60 4.079 -1.366 1.621 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.874 0.297 2.222 1.00 0.77 H new ATOM 0 HD13 LEU A 60 5.319 -0.136 1.278 1.00 0.77 H new ATOM 0 HD21 LEU A 60 5.753 -2.864 2.642 1.00 0.97 H new ATOM 0 HD22 LEU A 60 7.059 -1.693 2.341 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.767 -2.296 3.990 1.00 0.97 H new ATOM 885 N ARG A 61 8.897 1.350 5.308 1.00 0.51 N ATOM 886 CA ARG A 61 9.736 2.488 5.658 1.00 0.58 C ATOM 887 C ARG A 61 9.691 3.553 4.568 1.00 0.54 C ATOM 888 O ARG A 61 9.500 3.245 3.393 1.00 0.59 O ATOM 889 CB ARG A 61 11.177 2.033 5.889 1.00 0.69 C ATOM 890 CG ARG A 61 11.325 1.057 7.043 1.00 1.34 C ATOM 891 CD ARG A 61 12.775 0.647 7.245 1.00 1.51 C ATOM 892 NE ARG A 61 12.929 -0.274 8.368 1.00 2.06 N ATOM 893 CZ ARG A 61 14.097 -0.781 8.752 1.00 2.47 C ATOM 894 NH1 ARG A 61 15.209 -0.457 8.106 1.00 2.45 N ATOM 895 NH2 ARG A 61 14.153 -1.611 9.784 1.00 3.32 N ATOM 0 H ARG A 61 9.392 0.589 4.843 1.00 0.51 H new ATOM 0 HA ARG A 61 9.350 2.924 6.579 1.00 0.58 H new ATOM 0 HB2 ARG A 61 11.553 1.567 4.978 1.00 0.69 H new ATOM 0 HB3 ARG A 61 11.800 2.907 6.080 1.00 0.69 H new ATOM 0 HG2 ARG A 61 10.944 1.513 7.957 1.00 1.34 H new ATOM 0 HG3 ARG A 61 10.719 0.171 6.852 1.00 1.34 H new ATOM 0 HD2 ARG A 61 13.149 0.177 6.336 1.00 1.51 H new ATOM 0 HD3 ARG A 61 13.383 1.535 7.418 1.00 1.51 H new ATOM 0 HE ARG A 61 12.093 -0.544 8.887 1.00 2.06 H new ATOM 0 HH11 ARG A 61 15.170 0.183 7.312 1.00 2.45 H new ATOM 0 HH12 ARG A 61 16.103 -0.847 8.403 1.00 2.45 H new ATOM 0 HH21 ARG A 61 13.300 -1.861 10.284 1.00 3.32 H new ATOM 0 HH22 ARG A 61 15.049 -2.000 10.078 1.00 3.32 H new ATOM 906 N LYS A 62 9.876 4.807 4.969 1.00 0.69 N ATOM 907 CA LYS A 62 9.852 5.930 4.037 1.00 0.74 C ATOM 908 C LYS A 62 10.670 5.632 2.782 1.00 0.68 C ATOM 909 O LYS A 62 10.369 6.130 1.699 1.00 0.76 O ATOM 910 CB LYS A 62 10.398 7.184 4.720 1.00 0.92 C ATOM 911 CG LYS A 62 11.882 7.100 5.032 1.00 1.88 C ATOM 912 CD LYS A 62 12.210 7.757 6.361 1.00 2.95 C ATOM 913 CE LYS A 62 11.631 6.969 7.527 1.00 3.60 C ATOM 914 NZ LYS A 62 11.921 7.620 8.833 1.00 4.70 N ATOM 0 H LYS A 62 10.045 5.072 5.939 1.00 0.69 H new ATOM 0 HA LYS A 62 8.817 6.094 3.737 1.00 0.74 H new ATOM 0 HB2 LYS A 62 10.217 8.047 4.079 1.00 0.92 H new ATOM 0 HB3 LYS A 62 9.848 7.354 5.646 1.00 0.92 H new ATOM 0 HG2 LYS A 62 12.191 6.055 5.056 1.00 1.88 H new ATOM 0 HG3 LYS A 62 12.450 7.583 4.237 1.00 1.88 H new ATOM 0 HD2 LYS A 62 13.291 7.834 6.473 1.00 2.95 H new ATOM 0 HD3 LYS A 62 11.815 8.773 6.374 1.00 2.95 H new ATOM 0 HE2 LYS A 62 10.553 6.873 7.401 1.00 3.60 H new ATOM 0 HE3 LYS A 62 12.044 5.960 7.524 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 11.510 7.053 9.602 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 12.950 7.689 8.965 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 11.505 8.573 8.846 1.00 4.70 H new ATOM 924 N LYS A 63 11.707 4.817 2.939 1.00 0.64 N ATOM 925 CA LYS A 63 12.573 4.456 1.821 1.00 0.71 C ATOM 926 C LYS A 63 11.979 3.308 1.012 1.00 0.63 C ATOM 927 O LYS A 63 12.058 3.298 -0.216 1.00 0.73 O ATOM 928 CB LYS A 63 13.966 4.075 2.329 1.00 0.88 C ATOM 929 CG LYS A 63 13.964 2.941 3.340 1.00 0.88 C ATOM 930 CD LYS A 63 15.362 2.660 3.863 1.00 1.10 C ATOM 931 CE LYS A 63 16.219 1.963 2.819 1.00 1.67 C ATOM 932 NZ LYS A 63 15.710 0.600 2.507 1.00 2.28 N ATOM 0 H LYS A 63 11.969 4.393 3.829 1.00 0.64 H new ATOM 0 HA LYS A 63 12.657 5.325 1.168 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.586 3.790 1.479 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.429 4.952 2.782 1.00 0.88 H new ATOM 0 HG2 LYS A 63 13.307 3.195 4.172 1.00 0.88 H new ATOM 0 HG3 LYS A 63 13.559 2.041 2.878 1.00 0.88 H new ATOM 0 HD2 LYS A 63 15.836 3.596 4.158 1.00 1.10 H new ATOM 0 HD3 LYS A 63 15.299 2.039 4.757 1.00 1.10 H new ATOM 0 HE2 LYS A 63 16.240 2.561 1.908 1.00 1.67 H new ATOM 0 HE3 LYS A 63 17.246 1.894 3.178 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 16.464 0.042 2.058 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 15.410 0.132 3.386 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 14.900 0.672 1.859 1.00 2.28 H new ATOM 942 N ASP A 64 11.383 2.344 1.705 1.00 0.54 N ATOM 943 CA ASP A 64 10.779 1.193 1.043 1.00 0.54 C ATOM 944 C ASP A 64 9.711 1.632 0.048 1.00 0.46 C ATOM 945 O ASP A 64 9.472 0.961 -0.956 1.00 0.56 O ATOM 946 CB ASP A 64 10.166 0.246 2.074 1.00 0.56 C ATOM 947 CG ASP A 64 9.517 -0.965 1.432 1.00 1.38 C ATOM 948 OD1 ASP A 64 8.408 -0.817 0.877 1.00 2.30 O ATOM 949 OD2 ASP A 64 10.117 -2.058 1.482 1.00 1.49 O ATOM 0 H ASP A 64 11.305 2.336 2.722 1.00 0.54 H new ATOM 0 HA ASP A 64 11.565 0.670 0.499 1.00 0.54 H new ATOM 0 HB2 ASP A 64 10.941 -0.084 2.766 1.00 0.56 H new ATOM 0 HB3 ASP A 64 9.423 0.785 2.661 1.00 0.56 H new ATOM 953 N LEU A 65 9.072 2.762 0.330 1.00 0.39 N ATOM 954 CA LEU A 65 8.025 3.287 -0.539 1.00 0.41 C ATOM 955 C LEU A 65 8.616 3.937 -1.789 1.00 0.45 C ATOM 956 O LEU A 65 7.926 4.104 -2.796 1.00 0.52 O ATOM 957 CB LEU A 65 7.158 4.299 0.215 1.00 0.51 C ATOM 958 CG LEU A 65 6.193 3.695 1.238 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.951 3.129 2.428 1.00 0.67 C ATOM 960 CD2 LEU A 65 5.184 4.740 1.695 1.00 0.70 C ATOM 0 H LEU A 65 9.261 3.332 1.154 1.00 0.39 H new ATOM 0 HA LEU A 65 7.403 2.448 -0.851 1.00 0.41 H new ATOM 0 HB2 LEU A 65 7.813 5.003 0.728 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.581 4.872 -0.511 1.00 0.51 H new ATOM 0 HG LEU A 65 5.654 2.877 0.759 1.00 0.49 H new ATOM 0 HD11 LEU A 65 6.244 2.705 3.141 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.634 2.350 2.088 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.519 3.925 2.909 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.504 4.296 2.422 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.710 5.577 2.154 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.615 5.096 0.836 1.00 0.70 H new ATOM 971 N ALA A 66 9.892 4.305 -1.721 1.00 0.46 N ATOM 972 CA ALA A 66 10.568 4.935 -2.850 1.00 0.52 C ATOM 973 C ALA A 66 10.833 3.933 -3.972 1.00 0.50 C ATOM 974 O ALA A 66 11.024 4.319 -5.125 1.00 0.66 O ATOM 975 CB ALA A 66 11.871 5.576 -2.392 1.00 0.60 C ATOM 0 H ALA A 66 10.478 4.178 -0.896 1.00 0.46 H new ATOM 0 HA ALA A 66 9.911 5.710 -3.245 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.366 6.043 -3.244 1.00 0.60 H new ATOM 0 HB2 ALA A 66 11.659 6.332 -1.637 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.523 4.812 -1.967 1.00 0.60 H new ATOM 981 N LEU A 67 10.842 2.645 -3.632 1.00 0.37 N ATOM 982 CA LEU A 67 11.087 1.596 -4.619 1.00 0.35 C ATOM 983 C LEU A 67 9.780 0.983 -5.112 1.00 0.31 C ATOM 984 O LEU A 67 9.522 0.934 -6.315 1.00 0.30 O ATOM 985 CB LEU A 67 11.984 0.504 -4.030 1.00 0.38 C ATOM 986 CG LEU A 67 13.393 0.962 -3.651 1.00 0.43 C ATOM 987 CD1 LEU A 67 14.122 -0.133 -2.887 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.173 1.353 -4.898 1.00 0.47 C ATOM 0 H LEU A 67 10.683 2.304 -2.684 1.00 0.37 H new ATOM 0 HA LEU A 67 11.593 2.054 -5.469 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.500 0.096 -3.143 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.064 -0.309 -4.752 1.00 0.38 H new ATOM 0 HG LEU A 67 13.312 1.835 -3.004 1.00 0.43 H new ATOM 0 HD11 LEU A 67 15.123 0.210 -2.625 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.571 -0.371 -1.977 1.00 0.48 H new ATOM 0 HD13 LEU A 67 14.195 -1.024 -3.510 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.174 1.677 -4.614 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.245 0.495 -5.566 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.659 2.168 -5.408 1.00 0.47 H new ATOM 999 N ILE A 68 8.958 0.515 -4.178 1.00 0.31 N ATOM 1000 CA ILE A 68 7.680 -0.098 -4.525 1.00 0.30 C ATOM 1001 C ILE A 68 6.736 0.922 -5.151 1.00 0.30 C ATOM 1002 O ILE A 68 6.823 2.118 -4.872 1.00 0.37 O ATOM 1003 CB ILE A 68 7.000 -0.720 -3.290 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.621 0.369 -2.285 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.917 -1.748 -2.645 1.00 0.38 C ATOM 1006 CD1 ILE A 68 5.856 -0.150 -1.088 1.00 0.43 C ATOM 0 H ILE A 68 9.153 0.548 -3.177 1.00 0.31 H new ATOM 0 HA ILE A 68 7.892 -0.886 -5.247 1.00 0.30 H new ATOM 0 HB ILE A 68 6.088 -1.224 -3.610 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.529 0.864 -1.939 1.00 0.38 H new ATOM 0 HG13 ILE A 68 6.019 1.124 -2.790 1.00 0.38 H new ATOM 0 HG21 ILE A 68 7.424 -2.179 -1.774 1.00 0.38 H new ATOM 0 HG22 ILE A 68 8.141 -2.537 -3.363 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.844 -1.265 -2.335 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.622 0.678 -0.419 1.00 0.43 H new ATOM 0 HD12 ILE A 68 4.931 -0.619 -1.423 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.464 -0.884 -0.558 1.00 0.43 H new ATOM 1017 N GLU A 69 5.831 0.442 -5.999 1.00 0.29 N ATOM 1018 CA GLU A 69 4.874 1.315 -6.668 1.00 0.32 C ATOM 1019 C GLU A 69 3.485 1.179 -6.051 1.00 0.31 C ATOM 1020 O GLU A 69 3.116 0.115 -5.554 1.00 0.37 O ATOM 1021 CB GLU A 69 4.816 0.985 -8.159 1.00 0.34 C ATOM 1022 CG GLU A 69 4.165 2.070 -8.999 1.00 0.44 C ATOM 1023 CD GLU A 69 4.887 3.399 -8.898 1.00 1.30 C ATOM 1024 OE1 GLU A 69 5.805 3.640 -9.710 1.00 1.26 O ATOM 1025 OE2 GLU A 69 4.533 4.201 -8.007 1.00 2.29 O ATOM 0 H GLU A 69 5.741 -0.545 -6.238 1.00 0.29 H new ATOM 0 HA GLU A 69 5.207 2.345 -6.540 1.00 0.32 H new ATOM 0 HB2 GLU A 69 5.829 0.814 -8.524 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.266 0.054 -8.295 1.00 0.34 H new ATOM 0 HG2 GLU A 69 4.142 1.752 -10.041 1.00 0.44 H new ATOM 0 HG3 GLU A 69 3.130 2.198 -8.681 1.00 0.44 H new ATOM 1030 N LEU A 70 2.719 2.265 -6.083 1.00 0.32 N ATOM 1031 CA LEU A 70 1.369 2.268 -5.528 1.00 0.33 C ATOM 1032 C LEU A 70 0.371 2.849 -6.524 1.00 0.33 C ATOM 1033 O LEU A 70 0.659 3.832 -7.207 1.00 0.45 O ATOM 1034 CB LEU A 70 1.329 3.071 -4.226 1.00 0.38 C ATOM 1035 CG LEU A 70 2.144 2.485 -3.072 1.00 0.95 C ATOM 1036 CD1 LEU A 70 2.044 3.378 -1.845 1.00 1.25 C ATOM 1037 CD2 LEU A 70 1.670 1.076 -2.750 1.00 1.85 C ATOM 0 H LEU A 70 3.010 3.155 -6.488 1.00 0.32 H new ATOM 0 HA LEU A 70 1.090 1.235 -5.319 1.00 0.33 H new ATOM 0 HB2 LEU A 70 1.690 4.079 -4.429 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.291 3.162 -3.906 1.00 0.38 H new ATOM 0 HG LEU A 70 3.190 2.434 -3.375 1.00 0.95 H new ATOM 0 HD11 LEU A 70 2.629 2.947 -1.033 1.00 1.25 H new ATOM 0 HD12 LEU A 70 2.429 4.369 -2.084 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.001 3.459 -1.538 1.00 1.25 H new ATOM 0 HD21 LEU A 70 2.260 0.673 -1.927 1.00 1.85 H new ATOM 0 HD22 LEU A 70 0.618 1.102 -2.464 1.00 1.85 H new ATOM 0 HD23 LEU A 70 1.792 0.442 -3.628 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.806 2.233 -6.601 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.850 2.691 -7.508 1.00 0.38 C ATOM 1050 C GLU A 71 -3.076 3.160 -6.730 1.00 0.37 C ATOM 1051 O GLU A 71 -3.573 2.453 -5.853 1.00 0.52 O ATOM 1052 CB GLU A 71 -2.242 1.574 -8.476 1.00 0.47 C ATOM 1053 CG GLU A 71 -3.404 1.939 -9.387 1.00 0.54 C ATOM 1054 CD GLU A 71 -3.786 0.814 -10.327 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -3.218 0.750 -11.438 1.00 1.26 O ATOM 1056 OE2 GLU A 71 -4.652 -0.004 -9.954 1.00 2.24 O ATOM 0 H GLU A 71 -1.059 1.416 -6.046 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.458 3.533 -8.078 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -1.378 1.315 -9.088 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.505 0.684 -7.904 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -4.267 2.207 -8.778 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -3.140 2.821 -9.971 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.558 4.355 -7.057 1.00 0.45 N ATOM 1062 CA ALA A 72 -4.726 4.917 -6.386 1.00 0.52 C ATOM 1063 C ALA A 72 -5.975 4.094 -6.680 1.00 0.44 C ATOM 1064 O ALA A 72 -6.012 3.324 -7.640 1.00 0.53 O ATOM 1065 CB ALA A 72 -4.932 6.364 -6.809 1.00 0.76 C ATOM 0 H ALA A 72 -3.159 4.952 -7.781 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.548 4.887 -5.311 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -5.806 6.771 -6.301 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -4.052 6.950 -6.542 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.085 6.410 -7.887 1.00 0.76 H new ATOM 1071 N VAL A 73 -6.998 4.265 -5.850 1.00 0.58 N ATOM 1072 CA VAL A 73 -8.248 3.533 -6.017 1.00 0.64 C ATOM 1073 C VAL A 73 -9.350 4.433 -6.566 1.00 0.83 C ATOM 1074 O VAL A 73 -9.154 5.636 -6.745 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.721 2.925 -4.685 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -7.681 1.960 -4.140 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.023 4.024 -3.677 1.00 1.16 C ATOM 0 H VAL A 73 -6.986 4.904 -5.055 1.00 0.58 H new ATOM 0 HA VAL A 73 -8.050 2.732 -6.729 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.639 2.366 -4.865 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -8.033 1.540 -3.198 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -7.519 1.156 -4.858 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -6.744 2.491 -3.973 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -9.356 3.577 -2.740 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.122 4.611 -3.498 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -9.807 4.672 -4.069 1.00 1.16 H new