USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 607 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 49 ASN : amide:sc= -1.25 K(o=-0.78,f=-5.7!) USER MOD Set 1.2: A 69 ASN : amide:sc= 0.469 K(o=-0.78,f=-5.7) USER MOD Single : A 7 SER OG : rot -132:sc= -1.13 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 38:sc= 0.568 USER MOD Single : A 14 ASN : amide:sc= -2.15 K(o=-2.1,f=-5.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.93 X(o=-1.9,f=-2.1) USER MOD Single : A 24 ASN : amide:sc= -0.0315 X(o=-0.031,f=-0.046) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 34 ASN : amide:sc= -0.658 X(o=-0.66,f=-1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.176 K(o=0.18,f=-1.6!) USER MOD Single : A 37 SER OG : rot -82:sc= 0.0998 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 47 SER OG : rot 160:sc= -0.689 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 176:sc= -1.65 USER MOD Single : A 57 ASN : amide:sc= -2.47 K(o=-2.5,f=-7.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0416 USER MOD Single : A 62 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.5) USER MOD Single : A 66 SER OG : rot 18:sc= 0.847 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.698 X(o=-0.7,f=-1.1) USER MOD Single : A 72 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.36) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.0561 (180deg=-0.38) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 111:sc= 0.122 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 15.976 0.821 1.999 1.00 44.41 N ATOM 72 CA VAL A 6 15.732 1.719 3.121 1.00 12.42 C ATOM 73 C VAL A 6 17.008 1.961 3.920 1.00 53.22 C ATOM 74 O VAL A 6 17.602 3.037 3.849 1.00 62.31 O ATOM 75 CB VAL A 6 14.649 1.159 4.062 1.00 14.33 C ATOM 76 CG1 VAL A 6 14.446 2.084 5.253 1.00 32.31 C ATOM 77 CG2 VAL A 6 13.343 0.953 3.309 1.00 45.04 C ATOM 0 HA VAL A 6 15.386 2.663 2.701 1.00 12.42 H new ATOM 0 HB VAL A 6 14.983 0.191 4.436 1.00 14.33 H new ATOM 0 HG11 VAL A 6 13.677 1.672 5.907 1.00 32.31 H new ATOM 0 HG12 VAL A 6 15.381 2.176 5.806 1.00 32.31 H new ATOM 0 HG13 VAL A 6 14.134 3.067 4.901 1.00 32.31 H new ATOM 0 HG21 VAL A 6 12.589 0.557 3.989 1.00 45.04 H new ATOM 0 HG22 VAL A 6 13.002 1.906 2.905 1.00 45.04 H new ATOM 0 HG23 VAL A 6 13.501 0.248 2.493 1.00 45.04 H new ATOM 87 N SER A 7 17.424 0.953 4.680 1.00 52.04 N ATOM 88 CA SER A 7 18.628 1.057 5.495 1.00 63.21 C ATOM 89 C SER A 7 18.982 -0.291 6.116 1.00 72.21 C ATOM 90 O SER A 7 18.178 -1.224 6.101 1.00 54.42 O ATOM 91 CB SER A 7 18.437 2.103 6.595 1.00 53.15 C ATOM 92 OG SER A 7 17.132 2.033 7.144 1.00 64.41 O ATOM 0 H SER A 7 16.945 0.055 4.748 1.00 52.04 H new ATOM 0 HA SER A 7 19.449 1.367 4.848 1.00 63.21 H new ATOM 0 HB2 SER A 7 19.175 1.947 7.382 1.00 53.15 H new ATOM 0 HB3 SER A 7 18.611 3.099 6.188 1.00 53.15 H new ATOM 0 HG SER A 7 16.747 2.933 7.189 1.00 64.41 H new ATOM 98 N ILE A 8 20.190 -0.386 6.661 1.00 12.30 N ATOM 99 CA ILE A 8 20.650 -1.618 7.288 1.00 21.41 C ATOM 100 C ILE A 8 21.399 -1.329 8.585 1.00 71.24 C ATOM 101 O ILE A 8 22.012 -0.273 8.737 1.00 42.20 O ATOM 102 CB ILE A 8 21.568 -2.421 6.347 1.00 55.45 C ATOM 103 CG1 ILE A 8 22.886 -1.676 6.127 1.00 0.01 C ATOM 104 CG2 ILE A 8 20.870 -2.676 5.019 1.00 62.52 C ATOM 105 CD1 ILE A 8 24.097 -2.432 6.627 1.00 2.32 C ATOM 0 H ILE A 8 20.868 0.376 6.681 1.00 12.30 H new ATOM 0 HA ILE A 8 19.762 -2.210 7.508 1.00 21.41 H new ATOM 0 HB ILE A 8 21.789 -3.382 6.811 1.00 55.45 H new ATOM 0 HG12 ILE A 8 23.007 -1.475 5.063 1.00 0.01 H new ATOM 0 HG13 ILE A 8 22.837 -0.710 6.630 1.00 0.01 H new ATOM 0 HG21 ILE A 8 21.530 -3.244 4.364 1.00 62.52 H new ATOM 0 HG22 ILE A 8 19.955 -3.243 5.192 1.00 62.52 H new ATOM 0 HG23 ILE A 8 20.624 -1.724 4.549 1.00 62.52 H new ATOM 0 HD11 ILE A 8 24.996 -1.845 6.438 1.00 2.32 H new ATOM 0 HD12 ILE A 8 23.998 -2.610 7.698 1.00 2.32 H new ATOM 0 HD13 ILE A 8 24.171 -3.386 6.106 1.00 2.32 H new ATOM 117 N SER A 9 21.346 -2.276 9.516 1.00 30.00 N ATOM 118 CA SER A 9 22.018 -2.123 10.801 1.00 12.52 C ATOM 119 C SER A 9 23.289 -2.964 10.853 1.00 22.25 C ATOM 120 O SER A 9 23.233 -4.194 10.889 1.00 52.52 O ATOM 121 CB SER A 9 21.080 -2.523 11.942 1.00 61.13 C ATOM 122 OG SER A 9 20.426 -1.390 12.486 1.00 51.01 O ATOM 0 H SER A 9 20.845 -3.157 9.405 1.00 30.00 H new ATOM 0 HA SER A 9 22.293 -1.075 10.917 1.00 12.52 H new ATOM 0 HB2 SER A 9 20.339 -3.233 11.576 1.00 61.13 H new ATOM 0 HB3 SER A 9 21.648 -3.029 12.723 1.00 61.13 H new ATOM 0 HG SER A 9 19.831 -1.673 13.212 1.00 51.01 H new ATOM 128 N VAL A 10 24.436 -2.293 10.858 1.00 3.51 N ATOM 129 CA VAL A 10 25.723 -2.977 10.907 1.00 13.11 C ATOM 130 C VAL A 10 26.369 -2.834 12.280 1.00 4.22 C ATOM 131 O VAL A 10 26.403 -1.744 12.851 1.00 2.23 O ATOM 132 CB VAL A 10 26.689 -2.433 9.838 1.00 72.33 C ATOM 133 CG1 VAL A 10 26.976 -0.959 10.077 1.00 13.21 C ATOM 134 CG2 VAL A 10 27.978 -3.241 9.825 1.00 0.42 C ATOM 0 H VAL A 10 24.501 -1.275 10.829 1.00 3.51 H new ATOM 0 HA VAL A 10 25.529 -4.031 10.708 1.00 13.11 H new ATOM 0 HB VAL A 10 26.215 -2.532 8.861 1.00 72.33 H new ATOM 0 HG11 VAL A 10 27.660 -0.593 9.312 1.00 13.21 H new ATOM 0 HG12 VAL A 10 26.045 -0.395 10.031 1.00 13.21 H new ATOM 0 HG13 VAL A 10 27.429 -0.831 11.060 1.00 13.21 H new ATOM 0 HG21 VAL A 10 28.649 -2.843 9.064 1.00 0.42 H new ATOM 0 HG22 VAL A 10 28.458 -3.176 10.802 1.00 0.42 H new ATOM 0 HG23 VAL A 10 27.752 -4.283 9.600 1.00 0.42 H new ATOM 144 N SER A 11 26.882 -3.942 12.805 1.00 4.01 N ATOM 145 CA SER A 11 27.526 -3.941 14.114 1.00 72.23 C ATOM 146 C SER A 11 29.018 -4.232 13.986 1.00 60.25 C ATOM 147 O SER A 11 29.494 -5.321 14.307 1.00 60.21 O ATOM 148 CB SER A 11 26.869 -4.977 15.029 1.00 45.32 C ATOM 149 OG SER A 11 25.472 -4.763 15.120 1.00 35.41 O ATOM 0 H SER A 11 26.864 -4.852 12.344 1.00 4.01 H new ATOM 0 HA SER A 11 27.404 -2.950 14.551 1.00 72.23 H new ATOM 0 HB2 SER A 11 27.062 -5.979 14.647 1.00 45.32 H new ATOM 0 HB3 SER A 11 27.314 -4.923 16.023 1.00 45.32 H new ATOM 0 HG SER A 11 25.075 -5.439 15.709 1.00 35.41 H new ATOM 155 N PRO A 12 29.775 -3.235 13.504 1.00 22.21 N ATOM 156 CA PRO A 12 31.224 -3.359 13.322 1.00 5.32 C ATOM 157 C PRO A 12 31.972 -3.417 14.650 1.00 44.02 C ATOM 158 O PRO A 12 31.638 -2.703 15.595 1.00 15.35 O ATOM 159 CB PRO A 12 31.595 -2.087 12.555 1.00 63.21 C ATOM 160 CG PRO A 12 30.531 -1.107 12.910 1.00 43.33 C ATOM 161 CD PRO A 12 29.275 -1.910 13.101 1.00 72.33 C ATOM 0 HA PRO A 12 31.493 -4.280 12.804 1.00 5.32 H new ATOM 0 HB2 PRO A 12 32.581 -1.723 12.845 1.00 63.21 H new ATOM 0 HB3 PRO A 12 31.625 -2.267 11.480 1.00 63.21 H new ATOM 0 HG2 PRO A 12 30.789 -0.564 13.819 1.00 43.33 H new ATOM 0 HG3 PRO A 12 30.404 -0.366 12.121 1.00 43.33 H new ATOM 0 HD2 PRO A 12 28.632 -1.474 13.865 1.00 72.33 H new ATOM 0 HD3 PRO A 12 28.689 -1.964 12.184 1.00 72.33 H new ATOM 169 N THR A 13 32.988 -4.272 14.715 1.00 62.34 N ATOM 170 CA THR A 13 33.783 -4.424 15.927 1.00 63.25 C ATOM 171 C THR A 13 35.230 -4.004 15.691 1.00 33.05 C ATOM 172 O THR A 13 35.957 -4.645 14.934 1.00 33.10 O ATOM 173 CB THR A 13 33.759 -5.878 16.436 1.00 42.33 C ATOM 174 OG1 THR A 13 34.204 -6.766 15.404 1.00 3.42 O ATOM 175 CG2 THR A 13 32.359 -6.272 16.882 1.00 42.33 C ATOM 0 H THR A 13 33.280 -4.870 13.942 1.00 62.34 H new ATOM 0 HA THR A 13 33.337 -3.776 16.681 1.00 63.25 H new ATOM 0 HB THR A 13 34.430 -5.951 17.292 1.00 42.33 H new ATOM 0 HG1 THR A 13 34.937 -6.347 14.906 1.00 3.42 H new ATOM 0 HG21 THR A 13 32.367 -7.302 17.237 1.00 42.33 H new ATOM 0 HG22 THR A 13 32.035 -5.613 17.687 1.00 42.33 H new ATOM 0 HG23 THR A 13 31.671 -6.183 16.041 1.00 42.33 H new ATOM 183 N ASN A 14 35.641 -2.923 16.347 1.00 70.24 N ATOM 184 CA ASN A 14 37.002 -2.418 16.209 1.00 51.55 C ATOM 185 C ASN A 14 37.877 -2.889 17.366 1.00 65.15 C ATOM 186 O ASN A 14 37.536 -2.699 18.533 1.00 64.40 O ATOM 187 CB ASN A 14 36.997 -0.889 16.149 1.00 55.35 C ATOM 188 CG ASN A 14 36.349 -0.362 14.882 1.00 23.12 C ATOM 189 OD1 ASN A 14 35.401 -0.953 14.365 1.00 41.44 O ATOM 190 ND2 ASN A 14 36.860 0.755 14.377 1.00 64.40 N ATOM 0 H ASN A 14 35.052 -2.381 16.979 1.00 70.24 H new ATOM 0 HA ASN A 14 37.416 -2.811 15.280 1.00 51.55 H new ATOM 0 HB2 ASN A 14 36.466 -0.496 17.016 1.00 55.35 H new ATOM 0 HB3 ASN A 14 38.022 -0.522 16.209 1.00 55.35 H new ATOM 0 HD21 ASN A 14 36.466 1.157 13.526 1.00 64.40 H new ATOM 0 HD22 ASN A 14 37.646 1.211 14.840 1.00 64.40 H new ATOM 197 N SER A 15 39.008 -3.504 17.033 1.00 71.14 N ATOM 198 CA SER A 15 39.931 -4.006 18.043 1.00 4.24 C ATOM 199 C SER A 15 41.188 -4.579 17.395 1.00 53.03 C ATOM 200 O SER A 15 41.374 -4.483 16.181 1.00 1.21 O ATOM 201 CB SER A 15 39.252 -5.077 18.899 1.00 13.51 C ATOM 202 OG SER A 15 39.380 -4.784 20.280 1.00 41.54 O ATOM 0 H SER A 15 39.306 -3.666 16.071 1.00 71.14 H new ATOM 0 HA SER A 15 40.220 -3.171 18.681 1.00 4.24 H new ATOM 0 HB2 SER A 15 38.197 -5.143 18.634 1.00 13.51 H new ATOM 0 HB3 SER A 15 39.695 -6.050 18.688 1.00 13.51 H new ATOM 0 HG SER A 15 38.936 -5.482 20.805 1.00 41.54 H new ATOM 208 N THR A 16 42.049 -5.176 18.213 1.00 73.52 N ATOM 209 CA THR A 16 43.288 -5.764 17.721 1.00 62.51 C ATOM 210 C THR A 16 43.192 -7.285 17.667 1.00 51.23 C ATOM 211 O THR A 16 42.446 -7.897 18.431 1.00 73.44 O ATOM 212 CB THR A 16 44.487 -5.369 18.604 1.00 51.54 C ATOM 213 OG1 THR A 16 44.379 -5.996 19.886 1.00 1.03 O ATOM 214 CG2 THR A 16 44.556 -3.859 18.776 1.00 5.32 C ATOM 0 H THR A 16 41.911 -5.265 19.220 1.00 73.52 H new ATOM 0 HA THR A 16 43.443 -5.376 16.714 1.00 62.51 H new ATOM 0 HB THR A 16 45.400 -5.706 18.112 1.00 51.54 H new ATOM 0 HG1 THR A 16 45.146 -5.741 20.440 1.00 1.03 H new ATOM 0 HG21 THR A 16 45.410 -3.603 19.403 1.00 5.32 H new ATOM 0 HG22 THR A 16 44.667 -3.386 17.800 1.00 5.32 H new ATOM 0 HG23 THR A 16 43.640 -3.504 19.248 1.00 5.32 H new ATOM 222 N VAL A 17 43.952 -7.889 16.759 1.00 21.41 N ATOM 223 CA VAL A 17 43.954 -9.339 16.607 1.00 73.44 C ATOM 224 C VAL A 17 45.374 -9.876 16.466 1.00 12.34 C ATOM 225 O VAL A 17 46.277 -9.163 16.031 1.00 43.33 O ATOM 226 CB VAL A 17 43.129 -9.776 15.381 1.00 14.33 C ATOM 227 CG1 VAL A 17 42.901 -11.280 15.398 1.00 5.34 C ATOM 228 CG2 VAL A 17 41.804 -9.029 15.338 1.00 42.30 C ATOM 0 H VAL A 17 44.574 -7.397 16.118 1.00 21.41 H new ATOM 0 HA VAL A 17 43.500 -9.751 17.508 1.00 73.44 H new ATOM 0 HB VAL A 17 43.690 -9.528 14.480 1.00 14.33 H new ATOM 0 HG11 VAL A 17 42.317 -11.569 14.525 1.00 5.34 H new ATOM 0 HG12 VAL A 17 43.862 -11.794 15.378 1.00 5.34 H new ATOM 0 HG13 VAL A 17 42.361 -11.556 16.304 1.00 5.34 H new ATOM 0 HG21 VAL A 17 41.234 -9.349 14.466 1.00 42.30 H new ATOM 0 HG22 VAL A 17 41.235 -9.244 16.243 1.00 42.30 H new ATOM 0 HG23 VAL A 17 41.992 -7.957 15.274 1.00 42.30 H new ATOM 238 N ALA A 18 45.563 -11.137 16.838 1.00 24.44 N ATOM 239 CA ALA A 18 46.873 -11.771 16.752 1.00 43.23 C ATOM 240 C ALA A 18 47.262 -12.031 15.300 1.00 23.35 C ATOM 241 O ALA A 18 46.444 -11.886 14.392 1.00 63.43 O ATOM 242 CB ALA A 18 46.885 -13.069 17.545 1.00 61.44 C ATOM 0 H ALA A 18 44.826 -11.740 17.202 1.00 24.44 H new ATOM 0 HA ALA A 18 47.608 -11.090 17.181 1.00 43.23 H new ATOM 0 HB1 ALA A 18 47.869 -13.531 17.472 1.00 61.44 H new ATOM 0 HB2 ALA A 18 46.660 -12.859 18.591 1.00 61.44 H new ATOM 0 HB3 ALA A 18 46.134 -13.749 17.142 1.00 61.44 H new ATOM 248 N LYS A 19 48.516 -12.416 15.089 1.00 44.01 N ATOM 249 CA LYS A 19 49.015 -12.698 13.748 1.00 51.51 C ATOM 250 C LYS A 19 48.174 -13.775 13.070 1.00 41.52 C ATOM 251 O LYS A 19 48.032 -14.882 13.587 1.00 41.23 O ATOM 252 CB LYS A 19 50.478 -13.141 13.808 1.00 4.22 C ATOM 253 CG LYS A 19 50.719 -14.321 14.734 1.00 11.40 C ATOM 254 CD LYS A 19 52.202 -14.547 14.975 1.00 0.01 C ATOM 255 CE LYS A 19 52.843 -15.311 13.827 1.00 61.02 C ATOM 256 NZ LYS A 19 53.343 -16.645 14.259 1.00 22.41 N ATOM 0 H LYS A 19 49.206 -12.540 15.830 1.00 44.01 H new ATOM 0 HA LYS A 19 48.943 -11.782 13.161 1.00 51.51 H new ATOM 0 HB2 LYS A 19 50.811 -13.404 12.804 1.00 4.22 H new ATOM 0 HB3 LYS A 19 51.090 -12.301 14.137 1.00 4.22 H new ATOM 0 HG2 LYS A 19 50.217 -14.146 15.686 1.00 11.40 H new ATOM 0 HG3 LYS A 19 50.279 -15.220 14.302 1.00 11.40 H new ATOM 0 HD2 LYS A 19 52.702 -13.586 15.098 1.00 0.01 H new ATOM 0 HD3 LYS A 19 52.341 -15.100 15.904 1.00 0.01 H new ATOM 0 HE2 LYS A 19 52.116 -15.438 13.025 1.00 61.02 H new ATOM 0 HE3 LYS A 19 53.669 -14.728 13.419 1.00 61.02 H new ATOM 0 HZ1 LYS A 19 53.773 -17.134 13.448 1.00 22.41 H new ATOM 0 HZ2 LYS A 19 54.055 -16.523 15.007 1.00 22.41 H new ATOM 0 HZ3 LYS A 19 52.551 -17.211 14.624 1.00 22.41 H new ATOM 270 N GLY A 20 47.619 -13.442 11.908 1.00 64.10 N ATOM 271 CA GLY A 20 46.801 -14.392 11.178 1.00 71.41 C ATOM 272 C GLY A 20 45.564 -14.806 11.951 1.00 64.54 C ATOM 273 O GLY A 20 45.645 -15.607 12.883 1.00 31.21 O ATOM 0 H GLY A 20 47.722 -12.531 11.460 1.00 64.10 H new ATOM 0 HA2 GLY A 20 46.501 -13.953 10.227 1.00 71.41 H new ATOM 0 HA3 GLY A 20 47.395 -15.277 10.948 1.00 71.41 H new ATOM 277 N LEU A 21 44.417 -14.260 11.565 1.00 51.44 N ATOM 278 CA LEU A 21 43.157 -14.575 12.229 1.00 61.51 C ATOM 279 C LEU A 21 41.969 -14.110 11.393 1.00 61.41 C ATOM 280 O LEU A 21 42.132 -13.366 10.427 1.00 63.04 O ATOM 281 CB LEU A 21 43.109 -13.923 13.611 1.00 2.44 C ATOM 282 CG LEU A 21 42.820 -14.858 14.786 1.00 61.22 C ATOM 283 CD1 LEU A 21 43.839 -14.652 15.896 1.00 61.22 C ATOM 284 CD2 LEU A 21 41.408 -14.638 15.308 1.00 11.22 C ATOM 0 H LEU A 21 44.333 -13.596 10.795 1.00 51.44 H new ATOM 0 HA LEU A 21 43.096 -15.657 12.343 1.00 61.51 H new ATOM 0 HB2 LEU A 21 44.064 -13.430 13.791 1.00 2.44 H new ATOM 0 HB3 LEU A 21 42.347 -13.144 13.597 1.00 2.44 H new ATOM 0 HG LEU A 21 42.900 -15.887 14.435 1.00 61.22 H new ATOM 0 HD11 LEU A 21 43.617 -15.326 16.723 1.00 61.22 H new ATOM 0 HD12 LEU A 21 44.839 -14.861 15.516 1.00 61.22 H new ATOM 0 HD13 LEU A 21 43.793 -13.621 16.246 1.00 61.22 H new ATOM 0 HD21 LEU A 21 41.220 -15.312 16.144 1.00 11.22 H new ATOM 0 HD22 LEU A 21 41.300 -13.606 15.642 1.00 11.22 H new ATOM 0 HD23 LEU A 21 40.691 -14.838 14.512 1.00 11.22 H new ATOM 296 N GLN A 22 40.775 -14.553 11.773 1.00 20.03 N ATOM 297 CA GLN A 22 39.560 -14.180 11.059 1.00 73.40 C ATOM 298 C GLN A 22 38.430 -13.866 12.034 1.00 10.40 C ATOM 299 O GLN A 22 38.395 -14.389 13.147 1.00 31.10 O ATOM 300 CB GLN A 22 39.134 -15.304 10.113 1.00 61.43 C ATOM 301 CG GLN A 22 39.187 -16.685 10.746 1.00 73.41 C ATOM 302 CD GLN A 22 38.167 -16.858 11.854 1.00 20.43 C ATOM 303 OE1 GLN A 22 38.519 -17.146 12.998 1.00 25.44 O ATOM 304 NE2 GLN A 22 36.894 -16.683 11.520 1.00 32.14 N ATOM 0 H GLN A 22 40.623 -15.170 12.571 1.00 20.03 H new ATOM 0 HA GLN A 22 39.772 -13.284 10.476 1.00 73.40 H new ATOM 0 HB2 GLN A 22 38.119 -15.111 9.767 1.00 61.43 H new ATOM 0 HB3 GLN A 22 39.778 -15.291 9.234 1.00 61.43 H new ATOM 0 HG2 GLN A 22 39.015 -17.439 9.978 1.00 73.41 H new ATOM 0 HG3 GLN A 22 40.186 -16.859 11.146 1.00 73.41 H new ATOM 0 HE21 GLN A 22 36.647 -16.445 10.559 1.00 32.14 H new ATOM 0 HE22 GLN A 22 36.163 -16.787 12.224 1.00 32.14 H new ATOM 313 N GLU A 23 37.509 -13.007 11.608 1.00 50.12 N ATOM 314 CA GLU A 23 36.379 -12.622 12.445 1.00 72.00 C ATOM 315 C GLU A 23 35.102 -12.507 11.617 1.00 63.53 C ATOM 316 O GLU A 23 35.140 -12.122 10.449 1.00 1.11 O ATOM 317 CB GLU A 23 36.665 -11.293 13.147 1.00 20.14 C ATOM 318 CG GLU A 23 35.948 -11.141 14.478 1.00 32.22 C ATOM 319 CD GLU A 23 36.711 -11.770 15.628 1.00 63.15 C ATOM 320 OE1 GLU A 23 37.849 -11.329 15.895 1.00 70.33 O ATOM 321 OE2 GLU A 23 36.172 -12.702 16.259 1.00 20.33 O ATOM 0 H GLU A 23 37.523 -12.565 10.689 1.00 50.12 H new ATOM 0 HA GLU A 23 36.236 -13.399 13.196 1.00 72.00 H new ATOM 0 HB2 GLU A 23 37.739 -11.202 13.310 1.00 20.14 H new ATOM 0 HB3 GLU A 23 36.371 -10.474 12.490 1.00 20.14 H new ATOM 0 HG2 GLU A 23 35.795 -10.082 14.685 1.00 32.22 H new ATOM 0 HG3 GLU A 23 34.961 -11.598 14.409 1.00 32.22 H new ATOM 328 N ASN A 24 33.973 -12.846 12.231 1.00 62.24 N ATOM 329 CA ASN A 24 32.685 -12.783 11.550 1.00 13.24 C ATOM 330 C ASN A 24 31.784 -11.729 12.188 1.00 22.10 C ATOM 331 O ASN A 24 31.749 -11.584 13.410 1.00 21.22 O ATOM 332 CB ASN A 24 31.996 -14.149 11.589 1.00 45.32 C ATOM 333 CG ASN A 24 31.883 -14.699 12.997 1.00 33.42 C ATOM 334 OD1 ASN A 24 32.784 -15.383 13.483 1.00 11.11 O ATOM 335 ND2 ASN A 24 30.771 -14.403 13.660 1.00 74.40 N ATOM 0 H ASN A 24 33.924 -13.167 13.198 1.00 62.24 H new ATOM 0 HA ASN A 24 32.864 -12.503 10.512 1.00 13.24 H new ATOM 0 HB2 ASN A 24 31.000 -14.063 11.154 1.00 45.32 H new ATOM 0 HB3 ASN A 24 32.554 -14.852 10.971 1.00 45.32 H new ATOM 0 HD21 ASN A 24 30.638 -14.746 14.611 1.00 74.40 H new ATOM 0 HD22 ASN A 24 30.050 -13.833 13.218 1.00 74.40 H new ATOM 342 N PHE A 25 31.057 -10.996 11.352 1.00 52.12 N ATOM 343 CA PHE A 25 30.156 -9.955 11.833 1.00 0.01 C ATOM 344 C PHE A 25 28.706 -10.296 11.503 1.00 13.33 C ATOM 345 O PHE A 25 28.398 -11.410 11.078 1.00 3.45 O ATOM 346 CB PHE A 25 30.527 -8.605 11.217 1.00 43.42 C ATOM 347 CG PHE A 25 32.000 -8.310 11.260 1.00 34.42 C ATOM 348 CD1 PHE A 25 32.735 -8.558 12.408 1.00 3.30 C ATOM 349 CD2 PHE A 25 32.648 -7.787 10.153 1.00 31.12 C ATOM 350 CE1 PHE A 25 34.090 -8.287 12.451 1.00 70.13 C ATOM 351 CE2 PHE A 25 34.003 -7.515 10.190 1.00 54.12 C ATOM 352 CZ PHE A 25 34.725 -7.766 11.340 1.00 74.21 C ATOM 0 H PHE A 25 31.074 -11.103 10.338 1.00 52.12 H new ATOM 0 HA PHE A 25 30.259 -9.893 12.916 1.00 0.01 H new ATOM 0 HB2 PHE A 25 30.190 -8.583 10.181 1.00 43.42 H new ATOM 0 HB3 PHE A 25 29.991 -7.815 11.743 1.00 43.42 H new ATOM 0 HD1 PHE A 25 32.244 -8.967 13.279 1.00 3.30 H new ATOM 0 HD2 PHE A 25 32.088 -7.589 9.251 1.00 31.12 H new ATOM 0 HE1 PHE A 25 34.652 -8.482 13.352 1.00 70.13 H new ATOM 0 HE2 PHE A 25 34.496 -7.107 9.320 1.00 54.12 H new ATOM 0 HZ PHE A 25 35.784 -7.556 11.371 1.00 74.21 H new ATOM 362 N LYS A 26 27.817 -9.328 11.703 1.00 60.23 N ATOM 363 CA LYS A 26 26.399 -9.523 11.427 1.00 54.22 C ATOM 364 C LYS A 26 25.768 -8.241 10.891 1.00 33.51 C ATOM 365 O LYS A 26 25.887 -7.178 11.499 1.00 24.43 O ATOM 366 CB LYS A 26 25.668 -9.972 12.694 1.00 23.14 C ATOM 367 CG LYS A 26 24.811 -11.210 12.496 1.00 72.01 C ATOM 368 CD LYS A 26 23.669 -11.264 13.497 1.00 51.21 C ATOM 369 CE LYS A 26 23.221 -12.694 13.756 1.00 64.24 C ATOM 370 NZ LYS A 26 22.279 -12.781 14.905 1.00 21.25 N ATOM 0 H LYS A 26 28.054 -8.401 12.055 1.00 60.23 H new ATOM 0 HA LYS A 26 26.306 -10.299 10.667 1.00 54.22 H new ATOM 0 HB2 LYS A 26 26.401 -10.170 13.476 1.00 23.14 H new ATOM 0 HB3 LYS A 26 25.037 -9.156 13.048 1.00 23.14 H new ATOM 0 HG2 LYS A 26 24.409 -11.217 11.483 1.00 72.01 H new ATOM 0 HG3 LYS A 26 25.429 -12.102 12.599 1.00 72.01 H new ATOM 0 HD2 LYS A 26 23.984 -10.805 14.434 1.00 51.21 H new ATOM 0 HD3 LYS A 26 22.828 -10.680 13.123 1.00 51.21 H new ATOM 0 HE2 LYS A 26 22.741 -13.092 12.862 1.00 64.24 H new ATOM 0 HE3 LYS A 26 24.093 -13.318 13.953 1.00 64.24 H new ATOM 0 HZ1 LYS A 26 21.997 -13.772 15.049 1.00 21.25 H new ATOM 0 HZ2 LYS A 26 22.745 -12.425 15.764 1.00 21.25 H new ATOM 0 HZ3 LYS A 26 21.435 -12.207 14.706 1.00 21.25 H new ATOM 384 N ALA A 27 25.095 -8.351 9.750 1.00 11.43 N ATOM 385 CA ALA A 27 24.442 -7.201 9.135 1.00 23.53 C ATOM 386 C ALA A 27 23.053 -7.567 8.625 1.00 34.31 C ATOM 387 O ALA A 27 22.907 -8.403 7.732 1.00 2.30 O ATOM 388 CB ALA A 27 25.296 -6.654 8.001 1.00 61.41 C ATOM 0 H ALA A 27 24.988 -9.224 9.233 1.00 11.43 H new ATOM 0 HA ALA A 27 24.329 -6.428 9.895 1.00 23.53 H new ATOM 0 HB1 ALA A 27 24.797 -5.796 7.551 1.00 61.41 H new ATOM 0 HB2 ALA A 27 26.266 -6.346 8.392 1.00 61.41 H new ATOM 0 HB3 ALA A 27 25.438 -7.428 7.247 1.00 61.41 H new ATOM 394 N THR A 28 22.032 -6.937 9.198 1.00 31.12 N ATOM 395 CA THR A 28 20.654 -7.198 8.803 1.00 54.42 C ATOM 396 C THR A 28 19.998 -5.944 8.234 1.00 23.24 C ATOM 397 O THR A 28 19.896 -4.923 8.913 1.00 30.11 O ATOM 398 CB THR A 28 19.815 -7.708 9.990 1.00 4.12 C ATOM 399 OG1 THR A 28 20.652 -8.415 10.913 1.00 41.24 O ATOM 400 CG2 THR A 28 18.697 -8.620 9.510 1.00 32.35 C ATOM 0 H THR A 28 22.134 -6.242 9.938 1.00 31.12 H new ATOM 0 HA THR A 28 20.687 -7.969 8.034 1.00 54.42 H new ATOM 0 HB THR A 28 19.370 -6.847 10.489 1.00 4.12 H new ATOM 0 HG1 THR A 28 20.112 -8.735 11.666 1.00 41.24 H new ATOM 0 HG21 THR A 28 18.118 -8.968 10.366 1.00 32.35 H new ATOM 0 HG22 THR A 28 18.046 -8.070 8.831 1.00 32.35 H new ATOM 0 HG23 THR A 28 19.125 -9.477 8.989 1.00 32.35 H new ATOM 408 N GLY A 29 19.555 -6.029 6.984 1.00 54.12 N ATOM 409 CA GLY A 29 18.914 -4.894 6.346 1.00 51.15 C ATOM 410 C GLY A 29 17.430 -4.821 6.647 1.00 41.21 C ATOM 411 O GLY A 29 16.726 -5.829 6.581 1.00 23.12 O ATOM 0 H GLY A 29 19.628 -6.863 6.402 1.00 54.12 H new ATOM 0 HA2 GLY A 29 19.395 -3.974 6.680 1.00 51.15 H new ATOM 0 HA3 GLY A 29 19.060 -4.957 5.268 1.00 51.15 H new ATOM 415 N ILE A 30 16.954 -3.626 6.980 1.00 51.11 N ATOM 416 CA ILE A 30 15.544 -3.426 7.293 1.00 4.01 C ATOM 417 C ILE A 30 14.815 -2.748 6.138 1.00 63.41 C ATOM 418 O ILE A 30 15.016 -1.563 5.873 1.00 13.21 O ATOM 419 CB ILE A 30 15.365 -2.578 8.566 1.00 24.13 C ATOM 420 CG1 ILE A 30 16.110 -3.217 9.740 1.00 64.41 C ATOM 421 CG2 ILE A 30 13.888 -2.419 8.893 1.00 1.21 C ATOM 422 CD1 ILE A 30 17.138 -2.305 10.372 1.00 31.14 C ATOM 0 H ILE A 30 17.524 -2.782 7.040 1.00 51.11 H new ATOM 0 HA ILE A 30 15.115 -4.414 7.461 1.00 4.01 H new ATOM 0 HB ILE A 30 15.786 -1.589 8.388 1.00 24.13 H new ATOM 0 HG12 ILE A 30 15.387 -3.517 10.499 1.00 64.41 H new ATOM 0 HG13 ILE A 30 16.605 -4.125 9.395 1.00 64.41 H new ATOM 0 HG21 ILE A 30 13.778 -1.817 9.795 1.00 1.21 H new ATOM 0 HG22 ILE A 30 13.383 -1.925 8.063 1.00 1.21 H new ATOM 0 HG23 ILE A 30 13.444 -3.401 9.055 1.00 1.21 H new ATOM 0 HD11 ILE A 30 17.627 -2.824 11.197 1.00 31.14 H new ATOM 0 HD12 ILE A 30 17.883 -2.025 9.627 1.00 31.14 H new ATOM 0 HD13 ILE A 30 16.646 -1.408 10.748 1.00 31.14 H new ATOM 434 N PHE A 31 13.967 -3.509 5.454 1.00 53.42 N ATOM 435 CA PHE A 31 13.206 -2.982 4.327 1.00 50.32 C ATOM 436 C PHE A 31 11.728 -3.341 4.453 1.00 43.53 C ATOM 437 O PHE A 31 11.325 -4.048 5.377 1.00 41.22 O ATOM 438 CB PHE A 31 13.764 -3.524 3.009 1.00 33.33 C ATOM 439 CG PHE A 31 15.265 -3.557 2.962 1.00 54.11 C ATOM 440 CD1 PHE A 31 16.005 -2.427 3.269 1.00 42.23 C ATOM 441 CD2 PHE A 31 15.935 -4.718 2.611 1.00 12.32 C ATOM 442 CE1 PHE A 31 17.386 -2.454 3.225 1.00 3.00 C ATOM 443 CE2 PHE A 31 17.316 -4.751 2.566 1.00 31.02 C ATOM 444 CZ PHE A 31 18.043 -3.618 2.875 1.00 55.24 C ATOM 0 H PHE A 31 13.790 -4.492 5.660 1.00 53.42 H new ATOM 0 HA PHE A 31 13.300 -1.896 4.334 1.00 50.32 H new ATOM 0 HB2 PHE A 31 13.381 -4.532 2.849 1.00 33.33 H new ATOM 0 HB3 PHE A 31 13.396 -2.909 2.188 1.00 33.33 H new ATOM 0 HD1 PHE A 31 15.497 -1.515 3.546 1.00 42.23 H new ATOM 0 HD2 PHE A 31 15.372 -5.607 2.370 1.00 12.32 H new ATOM 0 HE1 PHE A 31 17.952 -1.566 3.464 1.00 3.00 H new ATOM 0 HE2 PHE A 31 17.826 -5.662 2.289 1.00 31.02 H new ATOM 0 HZ PHE A 31 19.122 -3.642 2.843 1.00 55.24 H new ATOM 454 N THR A 32 10.924 -2.847 3.517 1.00 74.05 N ATOM 455 CA THR A 32 9.491 -3.113 3.522 1.00 33.14 C ATOM 456 C THR A 32 9.206 -4.597 3.319 1.00 41.34 C ATOM 457 O THR A 32 8.079 -5.054 3.507 1.00 54.10 O ATOM 458 CB THR A 32 8.765 -2.308 2.428 1.00 42.30 C ATOM 459 OG1 THR A 32 9.631 -1.289 1.915 1.00 54.14 O ATOM 460 CG2 THR A 32 7.495 -1.673 2.975 1.00 63.41 C ATOM 0 H THR A 32 11.241 -2.260 2.745 1.00 74.05 H new ATOM 0 HA THR A 32 9.117 -2.804 4.498 1.00 33.14 H new ATOM 0 HB THR A 32 8.492 -2.992 1.625 1.00 42.30 H new ATOM 0 HG1 THR A 32 9.163 -0.782 1.219 1.00 54.14 H new ATOM 0 HG21 THR A 32 7.000 -1.110 2.184 1.00 63.41 H new ATOM 0 HG22 THR A 32 6.826 -2.453 3.339 1.00 63.41 H new ATOM 0 HG23 THR A 32 7.748 -1.001 3.795 1.00 63.41 H new ATOM 468 N ASP A 33 10.235 -5.344 2.934 1.00 73.14 N ATOM 469 CA ASP A 33 10.095 -6.778 2.706 1.00 42.31 C ATOM 470 C ASP A 33 10.225 -7.551 4.015 1.00 43.15 C ATOM 471 O ASP A 33 10.554 -8.736 4.016 1.00 33.42 O ATOM 472 CB ASP A 33 11.147 -7.262 1.707 1.00 40.35 C ATOM 473 CG ASP A 33 12.548 -6.818 2.080 1.00 72.02 C ATOM 474 OD1 ASP A 33 12.835 -6.717 3.291 1.00 54.52 O ATOM 475 OD2 ASP A 33 13.357 -6.571 1.161 1.00 61.41 O ATOM 0 H ASP A 33 11.175 -4.981 2.773 1.00 73.14 H new ATOM 0 HA ASP A 33 9.103 -6.961 2.294 1.00 42.31 H new ATOM 0 HB2 ASP A 33 11.117 -8.350 1.651 1.00 40.35 H new ATOM 0 HB3 ASP A 33 10.902 -6.885 0.714 1.00 40.35 H new ATOM 480 N ASN A 34 9.966 -6.870 5.126 1.00 22.34 N ATOM 481 CA ASN A 34 10.056 -7.493 6.442 1.00 11.01 C ATOM 482 C ASN A 34 11.506 -7.809 6.797 1.00 72.25 C ATOM 483 O ASN A 34 11.829 -8.929 7.193 1.00 72.05 O ATOM 484 CB ASN A 34 9.219 -8.773 6.482 1.00 73.03 C ATOM 485 CG ASN A 34 7.947 -8.658 5.663 1.00 1.35 C ATOM 486 OD1 ASN A 34 7.831 -9.248 4.590 1.00 61.35 O ATOM 487 ND2 ASN A 34 6.986 -7.894 6.169 1.00 14.11 N ATOM 0 H ASN A 34 9.692 -5.888 5.142 1.00 22.34 H new ATOM 0 HA ASN A 34 9.666 -6.789 7.177 1.00 11.01 H new ATOM 0 HB2 ASN A 34 9.815 -9.605 6.108 1.00 73.03 H new ATOM 0 HB3 ASN A 34 8.963 -9.004 7.516 1.00 73.03 H new ATOM 0 HD21 ASN A 34 6.108 -7.778 5.664 1.00 14.11 H new ATOM 0 HD22 ASN A 34 7.126 -7.423 7.063 1.00 14.11 H new ATOM 494 N SER A 35 12.375 -6.814 6.652 1.00 61.11 N ATOM 495 CA SER A 35 13.791 -6.986 6.954 1.00 64.55 C ATOM 496 C SER A 35 14.381 -8.142 6.150 1.00 2.23 C ATOM 497 O SER A 35 14.276 -9.303 6.544 1.00 44.43 O ATOM 498 CB SER A 35 13.989 -7.237 8.450 1.00 71.43 C ATOM 499 OG SER A 35 13.190 -6.359 9.224 1.00 64.31 O ATOM 0 H SER A 35 12.123 -5.880 6.327 1.00 61.11 H new ATOM 0 HA SER A 35 14.311 -6.069 6.675 1.00 64.55 H new ATOM 0 HB2 SER A 35 13.733 -8.270 8.686 1.00 71.43 H new ATOM 0 HB3 SER A 35 15.039 -7.102 8.709 1.00 71.43 H new ATOM 0 HG SER A 35 13.333 -6.540 10.176 1.00 64.31 H new ATOM 505 N ASN A 36 15.002 -7.813 5.022 1.00 72.52 N ATOM 506 CA ASN A 36 15.608 -8.823 4.162 1.00 44.14 C ATOM 507 C ASN A 36 17.076 -9.035 4.523 1.00 54.34 C ATOM 508 O ASN A 36 17.662 -8.250 5.268 1.00 14.20 O ATOM 509 CB ASN A 36 15.487 -8.411 2.693 1.00 22.10 C ATOM 510 CG ASN A 36 14.851 -9.492 1.840 1.00 4.21 C ATOM 511 OD1 ASN A 36 14.832 -10.664 2.217 1.00 55.25 O ATOM 512 ND2 ASN A 36 14.328 -9.101 0.684 1.00 61.32 N ATOM 0 H ASN A 36 15.099 -6.856 4.682 1.00 72.52 H new ATOM 0 HA ASN A 36 15.075 -9.762 4.314 1.00 44.14 H new ATOM 0 HB2 ASN A 36 14.893 -7.500 2.622 1.00 22.10 H new ATOM 0 HB3 ASN A 36 16.477 -8.178 2.301 1.00 22.10 H new ATOM 0 HD21 ASN A 36 13.887 -9.783 0.067 1.00 61.32 H new ATOM 0 HD22 ASN A 36 14.367 -8.118 0.413 1.00 61.32 H new ATOM 519 N SER A 37 17.663 -10.101 3.988 1.00 50.50 N ATOM 520 CA SER A 37 19.061 -10.418 4.256 1.00 52.11 C ATOM 521 C SER A 37 19.984 -9.629 3.332 1.00 73.10 C ATOM 522 O SER A 37 19.701 -9.468 2.144 1.00 5.05 O ATOM 523 CB SER A 37 19.307 -11.918 4.083 1.00 45.23 C ATOM 524 OG SER A 37 18.381 -12.485 3.173 1.00 34.44 O ATOM 0 H SER A 37 17.193 -10.759 3.367 1.00 50.50 H new ATOM 0 HA SER A 37 19.281 -10.137 5.286 1.00 52.11 H new ATOM 0 HB2 SER A 37 20.323 -12.084 3.724 1.00 45.23 H new ATOM 0 HB3 SER A 37 19.225 -12.417 5.049 1.00 45.23 H new ATOM 0 HG SER A 37 17.540 -12.676 3.639 1.00 34.44 H new ATOM 530 N ASP A 38 21.087 -9.140 3.886 1.00 4.20 N ATOM 531 CA ASP A 38 22.054 -8.368 3.113 1.00 73.32 C ATOM 532 C ASP A 38 22.687 -9.227 2.022 1.00 14.12 C ATOM 533 O ASP A 38 23.535 -10.075 2.301 1.00 50.05 O ATOM 534 CB ASP A 38 23.140 -7.805 4.030 1.00 20.15 C ATOM 535 CG ASP A 38 22.663 -6.604 4.824 1.00 73.45 C ATOM 536 OD1 ASP A 38 21.435 -6.460 5.000 1.00 70.24 O ATOM 537 OD2 ASP A 38 23.517 -5.808 5.267 1.00 32.44 O ATOM 0 H ASP A 38 21.335 -9.264 4.868 1.00 4.20 H new ATOM 0 HA ASP A 38 21.526 -7.541 2.639 1.00 73.32 H new ATOM 0 HB2 ASP A 38 23.470 -8.584 4.718 1.00 20.15 H new ATOM 0 HB3 ASP A 38 24.005 -7.521 3.431 1.00 20.15 H new ATOM 542 N ILE A 39 22.268 -9.002 0.782 1.00 52.35 N ATOM 543 CA ILE A 39 22.794 -9.755 -0.350 1.00 52.33 C ATOM 544 C ILE A 39 22.208 -9.252 -1.665 1.00 75.11 C ATOM 545 O ILE A 39 22.916 -9.118 -2.663 1.00 42.33 O ATOM 546 CB ILE A 39 22.498 -11.260 -0.211 1.00 42.24 C ATOM 547 CG1 ILE A 39 23.067 -12.026 -1.407 1.00 64.02 C ATOM 548 CG2 ILE A 39 21.000 -11.496 -0.088 1.00 63.23 C ATOM 549 CD1 ILE A 39 22.583 -13.456 -1.494 1.00 63.52 C ATOM 0 H ILE A 39 21.566 -8.304 0.535 1.00 52.35 H new ATOM 0 HA ILE A 39 23.874 -9.604 -0.355 1.00 52.33 H new ATOM 0 HB ILE A 39 22.980 -11.628 0.695 1.00 42.24 H new ATOM 0 HG12 ILE A 39 22.797 -11.503 -2.325 1.00 64.02 H new ATOM 0 HG13 ILE A 39 24.155 -12.022 -1.346 1.00 64.02 H new ATOM 0 HG21 ILE A 39 20.807 -12.564 0.009 1.00 63.23 H new ATOM 0 HG22 ILE A 39 20.621 -10.977 0.792 1.00 63.23 H new ATOM 0 HG23 ILE A 39 20.498 -11.116 -0.978 1.00 63.23 H new ATOM 0 HD11 ILE A 39 23.027 -13.938 -2.365 1.00 63.52 H new ATOM 0 HD12 ILE A 39 22.876 -13.995 -0.593 1.00 63.52 H new ATOM 0 HD13 ILE A 39 21.497 -13.468 -1.587 1.00 63.52 H new ATOM 561 N THR A 40 20.908 -8.973 -1.659 1.00 74.41 N ATOM 562 CA THR A 40 20.225 -8.485 -2.850 1.00 41.35 C ATOM 563 C THR A 40 20.920 -7.251 -3.415 1.00 42.01 C ATOM 564 O THR A 40 20.868 -6.993 -4.618 1.00 32.13 O ATOM 565 CB THR A 40 18.754 -8.140 -2.553 1.00 54.03 C ATOM 566 OG1 THR A 40 18.109 -9.250 -1.919 1.00 73.35 O ATOM 567 CG2 THR A 40 18.013 -7.780 -3.833 1.00 2.35 C ATOM 0 H THR A 40 20.307 -9.077 -0.841 1.00 74.41 H new ATOM 0 HA THR A 40 20.260 -9.288 -3.586 1.00 41.35 H new ATOM 0 HB THR A 40 18.734 -7.278 -1.886 1.00 54.03 H new ATOM 0 HG1 THR A 40 17.174 -9.022 -1.732 1.00 73.35 H new ATOM 0 HG21 THR A 40 16.976 -7.540 -3.598 1.00 2.35 H new ATOM 0 HG22 THR A 40 18.489 -6.917 -4.298 1.00 2.35 H new ATOM 0 HG23 THR A 40 18.043 -8.625 -4.521 1.00 2.35 H new ATOM 575 N ASP A 41 21.571 -6.492 -2.540 1.00 61.33 N ATOM 576 CA ASP A 41 22.279 -5.286 -2.952 1.00 52.44 C ATOM 577 C ASP A 41 23.754 -5.581 -3.206 1.00 52.32 C ATOM 578 O ASP A 41 24.452 -4.794 -3.845 1.00 61.44 O ATOM 579 CB ASP A 41 22.140 -4.198 -1.886 1.00 54.22 C ATOM 580 CG ASP A 41 21.099 -3.158 -2.253 1.00 1.14 C ATOM 581 OD1 ASP A 41 21.217 -2.560 -3.342 1.00 51.42 O ATOM 582 OD2 ASP A 41 20.167 -2.942 -1.449 1.00 44.43 O ATOM 0 H ASP A 41 21.623 -6.691 -1.541 1.00 61.33 H new ATOM 0 HA ASP A 41 21.833 -4.932 -3.881 1.00 52.44 H new ATOM 0 HB2 ASP A 41 21.871 -4.657 -0.935 1.00 54.22 H new ATOM 0 HB3 ASP A 41 23.103 -3.709 -1.742 1.00 54.22 H new ATOM 587 N GLN A 42 24.220 -6.718 -2.700 1.00 43.32 N ATOM 588 CA GLN A 42 25.613 -7.115 -2.871 1.00 52.20 C ATOM 589 C GLN A 42 26.550 -6.112 -2.206 1.00 23.51 C ATOM 590 O GLN A 42 27.153 -5.273 -2.874 1.00 43.32 O ATOM 591 CB GLN A 42 25.951 -7.239 -4.358 1.00 1.33 C ATOM 592 CG GLN A 42 25.902 -8.667 -4.876 1.00 21.02 C ATOM 593 CD GLN A 42 25.035 -8.810 -6.111 1.00 34.33 C ATOM 594 OE1 GLN A 42 23.868 -9.196 -6.023 1.00 3.50 O ATOM 595 NE2 GLN A 42 25.600 -8.500 -7.271 1.00 64.13 N ATOM 0 H GLN A 42 23.654 -7.380 -2.169 1.00 43.32 H new ATOM 0 HA GLN A 42 25.750 -8.085 -2.393 1.00 52.20 H new ATOM 0 HB2 GLN A 42 25.254 -6.629 -4.933 1.00 1.33 H new ATOM 0 HB3 GLN A 42 26.948 -6.833 -4.531 1.00 1.33 H new ATOM 0 HG2 GLN A 42 26.914 -9.001 -5.106 1.00 21.02 H new ATOM 0 HG3 GLN A 42 25.521 -9.321 -4.092 1.00 21.02 H new ATOM 0 HE21 GLN A 42 26.570 -8.184 -7.298 1.00 64.13 H new ATOM 0 HE22 GLN A 42 25.065 -8.577 -8.136 1.00 64.13 H new ATOM 604 N VAL A 43 26.668 -6.206 -0.885 1.00 60.01 N ATOM 605 CA VAL A 43 27.533 -5.308 -0.129 1.00 53.12 C ATOM 606 C VAL A 43 28.968 -5.369 -0.639 1.00 41.51 C ATOM 607 O VAL A 43 29.516 -6.449 -0.860 1.00 73.23 O ATOM 608 CB VAL A 43 27.518 -5.647 1.373 1.00 24.41 C ATOM 609 CG1 VAL A 43 28.133 -7.017 1.617 1.00 71.41 C ATOM 610 CG2 VAL A 43 28.250 -4.577 2.168 1.00 43.41 C ATOM 0 H VAL A 43 26.175 -6.895 -0.317 1.00 60.01 H new ATOM 0 HA VAL A 43 27.143 -4.300 -0.270 1.00 53.12 H new ATOM 0 HB VAL A 43 26.482 -5.674 1.711 1.00 24.41 H new ATOM 0 HG11 VAL A 43 28.114 -7.240 2.684 1.00 71.41 H new ATOM 0 HG12 VAL A 43 27.562 -7.773 1.078 1.00 71.41 H new ATOM 0 HG13 VAL A 43 29.164 -7.021 1.264 1.00 71.41 H new ATOM 0 HG21 VAL A 43 28.229 -4.833 3.227 1.00 43.41 H new ATOM 0 HG22 VAL A 43 29.284 -4.516 1.829 1.00 43.41 H new ATOM 0 HG23 VAL A 43 27.762 -3.614 2.018 1.00 43.41 H new ATOM 620 N THR A 44 29.575 -4.200 -0.824 1.00 13.00 N ATOM 621 CA THR A 44 30.947 -4.119 -1.309 1.00 32.25 C ATOM 622 C THR A 44 31.943 -4.250 -0.162 1.00 62.54 C ATOM 623 O THR A 44 32.035 -3.373 0.696 1.00 34.34 O ATOM 624 CB THR A 44 31.204 -2.793 -2.048 1.00 42.22 C ATOM 625 OG1 THR A 44 29.963 -2.126 -2.305 1.00 62.43 O ATOM 626 CG2 THR A 44 31.935 -3.038 -3.360 1.00 4.44 C ATOM 0 H THR A 44 29.137 -3.296 -0.645 1.00 13.00 H new ATOM 0 HA THR A 44 31.086 -4.947 -2.005 1.00 32.25 H new ATOM 0 HB THR A 44 31.829 -2.164 -1.414 1.00 42.22 H new ATOM 0 HG1 THR A 44 30.136 -1.283 -2.774 1.00 62.43 H new ATOM 0 HG21 THR A 44 32.106 -2.087 -3.865 1.00 4.44 H new ATOM 0 HG22 THR A 44 32.892 -3.519 -3.159 1.00 4.44 H new ATOM 0 HG23 THR A 44 31.331 -3.684 -3.998 1.00 4.44 H new ATOM 634 N TRP A 45 32.688 -5.350 -0.156 1.00 1.13 N ATOM 635 CA TRP A 45 33.679 -5.595 0.886 1.00 43.11 C ATOM 636 C TRP A 45 35.082 -5.261 0.392 1.00 44.34 C ATOM 637 O TRP A 45 35.410 -5.486 -0.774 1.00 30.04 O ATOM 638 CB TRP A 45 33.620 -7.054 1.342 1.00 11.31 C ATOM 639 CG TRP A 45 33.794 -8.034 0.222 1.00 51.02 C ATOM 640 CD1 TRP A 45 32.806 -8.699 -0.446 1.00 73.21 C ATOM 641 CD2 TRP A 45 35.031 -8.460 -0.359 1.00 70.33 C ATOM 642 NE1 TRP A 45 33.354 -9.513 -1.408 1.00 20.55 N ATOM 643 CE2 TRP A 45 34.717 -9.384 -1.375 1.00 63.52 C ATOM 644 CE3 TRP A 45 36.373 -8.150 -0.122 1.00 73.01 C ATOM 645 CZ2 TRP A 45 35.697 -10.000 -2.150 1.00 2.14 C ATOM 646 CZ3 TRP A 45 37.344 -8.762 -0.891 1.00 50.03 C ATOM 647 CH2 TRP A 45 37.003 -9.678 -1.896 1.00 14.44 C ATOM 0 H TRP A 45 32.625 -6.085 -0.860 1.00 1.13 H new ATOM 0 HA TRP A 45 33.448 -4.948 1.732 1.00 43.11 H new ATOM 0 HB2 TRP A 45 34.395 -7.225 2.089 1.00 11.31 H new ATOM 0 HB3 TRP A 45 32.662 -7.236 1.829 1.00 11.31 H new ATOM 0 HD1 TRP A 45 31.749 -8.600 -0.247 1.00 73.21 H new ATOM 0 HE1 TRP A 45 32.831 -10.115 -2.043 1.00 20.55 H new ATOM 0 HE3 TRP A 45 36.646 -7.444 0.649 1.00 73.01 H new ATOM 0 HZ2 TRP A 45 35.436 -10.707 -2.924 1.00 2.14 H new ATOM 0 HZ3 TRP A 45 38.384 -8.531 -0.715 1.00 50.03 H new ATOM 0 HH2 TRP A 45 37.786 -10.138 -2.481 1.00 14.44 H new ATOM 658 N ASP A 46 35.907 -4.723 1.284 1.00 53.13 N ATOM 659 CA ASP A 46 37.276 -4.359 0.938 1.00 52.13 C ATOM 660 C ASP A 46 38.185 -4.440 2.160 1.00 10.30 C ATOM 661 O ASP A 46 37.766 -4.142 3.279 1.00 72.15 O ATOM 662 CB ASP A 46 37.318 -2.948 0.348 1.00 74.31 C ATOM 663 CG ASP A 46 37.682 -2.947 -1.124 1.00 4.34 C ATOM 664 OD1 ASP A 46 37.011 -3.656 -1.902 1.00 12.43 O ATOM 665 OD2 ASP A 46 38.640 -2.237 -1.497 1.00 61.21 O ATOM 0 H ASP A 46 35.651 -4.529 2.252 1.00 53.13 H new ATOM 0 HA ASP A 46 37.636 -5.067 0.192 1.00 52.13 H new ATOM 0 HB2 ASP A 46 36.346 -2.473 0.479 1.00 74.31 H new ATOM 0 HB3 ASP A 46 38.042 -2.348 0.899 1.00 74.31 H new ATOM 670 N SER A 47 39.431 -4.845 1.938 1.00 23.15 N ATOM 671 CA SER A 47 40.399 -4.970 3.022 1.00 14.05 C ATOM 672 C SER A 47 41.568 -4.012 2.820 1.00 44.33 C ATOM 673 O SER A 47 41.917 -3.670 1.690 1.00 71.44 O ATOM 674 CB SER A 47 40.912 -6.408 3.113 1.00 64.23 C ATOM 675 OG SER A 47 41.099 -6.799 4.462 1.00 61.31 O ATOM 0 H SER A 47 39.794 -5.092 1.018 1.00 23.15 H new ATOM 0 HA SER A 47 39.898 -4.711 3.955 1.00 14.05 H new ATOM 0 HB2 SER A 47 40.203 -7.081 2.631 1.00 64.23 H new ATOM 0 HB3 SER A 47 41.854 -6.496 2.572 1.00 64.23 H new ATOM 0 HG SER A 47 41.111 -7.777 4.520 1.00 61.31 H new ATOM 681 N SER A 48 42.171 -3.581 3.924 1.00 72.33 N ATOM 682 CA SER A 48 43.299 -2.659 3.869 1.00 61.31 C ATOM 683 C SER A 48 44.575 -3.332 4.367 1.00 51.22 C ATOM 684 O SER A 48 44.615 -3.870 5.472 1.00 12.14 O ATOM 685 CB SER A 48 43.007 -1.412 4.705 1.00 12.01 C ATOM 686 OG SER A 48 43.155 -0.234 3.932 1.00 14.40 O ATOM 0 H SER A 48 41.897 -3.856 4.867 1.00 72.33 H new ATOM 0 HA SER A 48 43.446 -2.365 2.830 1.00 61.31 H new ATOM 0 HB2 SER A 48 41.993 -1.465 5.102 1.00 12.01 H new ATOM 0 HB3 SER A 48 43.682 -1.377 5.560 1.00 12.01 H new ATOM 0 HG SER A 48 42.961 0.549 4.489 1.00 14.40 H new ATOM 692 N ASN A 49 45.616 -3.296 3.541 1.00 31.33 N ATOM 693 CA ASN A 49 46.894 -3.903 3.896 1.00 11.44 C ATOM 694 C ASN A 49 47.929 -3.671 2.800 1.00 62.10 C ATOM 695 O ASN A 49 47.637 -3.055 1.774 1.00 4.35 O ATOM 696 CB ASN A 49 46.720 -5.403 4.141 1.00 50.05 C ATOM 697 CG ASN A 49 46.682 -5.748 5.617 1.00 61.02 C ATOM 698 OD1 ASN A 49 47.267 -5.049 6.444 1.00 23.12 O ATOM 699 ND2 ASN A 49 45.991 -6.831 5.954 1.00 42.15 N ATOM 0 H ASN A 49 45.600 -2.853 2.622 1.00 31.33 H new ATOM 0 HA ASN A 49 47.250 -3.432 4.812 1.00 11.44 H new ATOM 0 HB2 ASN A 49 45.798 -5.741 3.668 1.00 50.05 H new ATOM 0 HB3 ASN A 49 47.539 -5.943 3.666 1.00 50.05 H new ATOM 0 HD21 ASN A 49 45.930 -7.113 6.932 1.00 42.15 H new ATOM 0 HD22 ASN A 49 45.522 -7.381 5.234 1.00 42.15 H new ATOM 706 N THR A 50 49.141 -4.170 3.023 1.00 62.11 N ATOM 707 CA THR A 50 50.220 -4.018 2.055 1.00 3.33 C ATOM 708 C THR A 50 50.928 -5.345 1.808 1.00 43.23 C ATOM 709 O THR A 50 52.011 -5.382 1.223 1.00 72.15 O ATOM 710 CB THR A 50 51.254 -2.977 2.526 1.00 61.30 C ATOM 711 OG1 THR A 50 50.598 -1.923 3.239 1.00 3.11 O ATOM 712 CG2 THR A 50 52.017 -2.399 1.344 1.00 54.15 C ATOM 0 H THR A 50 49.400 -4.683 3.866 1.00 62.11 H new ATOM 0 HA THR A 50 49.765 -3.674 1.126 1.00 3.33 H new ATOM 0 HB THR A 50 51.963 -3.475 3.187 1.00 61.30 H new ATOM 0 HG1 THR A 50 51.262 -1.267 3.536 1.00 3.11 H new ATOM 0 HG21 THR A 50 52.741 -1.667 1.701 1.00 54.15 H new ATOM 0 HG22 THR A 50 52.539 -3.200 0.821 1.00 54.15 H new ATOM 0 HG23 THR A 50 51.318 -1.915 0.661 1.00 54.15 H new ATOM 720 N ASP A 51 50.310 -6.432 2.256 1.00 65.10 N ATOM 721 CA ASP A 51 50.881 -7.763 2.081 1.00 3.42 C ATOM 722 C ASP A 51 49.827 -8.745 1.580 1.00 41.55 C ATOM 723 O ASP A 51 49.826 -9.124 0.408 1.00 22.32 O ATOM 724 CB ASP A 51 51.476 -8.263 3.399 1.00 41.34 C ATOM 725 CG ASP A 51 52.990 -8.333 3.361 1.00 40.15 C ATOM 726 OD1 ASP A 51 53.525 -9.330 2.832 1.00 20.44 O ATOM 727 OD2 ASP A 51 53.640 -7.390 3.858 1.00 11.10 O ATOM 0 H ASP A 51 49.414 -6.418 2.743 1.00 65.10 H new ATOM 0 HA ASP A 51 51.673 -7.696 1.335 1.00 3.42 H new ATOM 0 HB2 ASP A 51 51.166 -7.602 4.208 1.00 41.34 H new ATOM 0 HB3 ASP A 51 51.075 -9.251 3.624 1.00 41.34 H new ATOM 732 N ILE A 52 48.932 -9.152 2.473 1.00 25.15 N ATOM 733 CA ILE A 52 47.874 -10.090 2.121 1.00 55.40 C ATOM 734 C ILE A 52 46.573 -9.745 2.838 1.00 13.51 C ATOM 735 O ILE A 52 46.585 -9.244 3.964 1.00 62.34 O ATOM 736 CB ILE A 52 48.267 -11.538 2.464 1.00 20.52 C ATOM 737 CG1 ILE A 52 49.637 -11.873 1.869 1.00 13.55 C ATOM 738 CG2 ILE A 52 47.212 -12.509 1.955 1.00 14.31 C ATOM 739 CD1 ILE A 52 50.130 -13.256 2.229 1.00 23.41 C ATOM 0 H ILE A 52 48.918 -8.847 3.446 1.00 25.15 H new ATOM 0 HA ILE A 52 47.726 -10.008 1.044 1.00 55.40 H new ATOM 0 HB ILE A 52 48.329 -11.634 3.548 1.00 20.52 H new ATOM 0 HG12 ILE A 52 49.584 -11.786 0.784 1.00 13.55 H new ATOM 0 HG13 ILE A 52 50.363 -11.136 2.213 1.00 13.55 H new ATOM 0 HG21 ILE A 52 47.505 -13.529 2.206 1.00 14.31 H new ATOM 0 HG22 ILE A 52 46.253 -12.282 2.421 1.00 14.31 H new ATOM 0 HG23 ILE A 52 47.121 -12.413 0.873 1.00 14.31 H new ATOM 0 HD11 ILE A 52 51.106 -13.425 1.773 1.00 23.41 H new ATOM 0 HD12 ILE A 52 50.216 -13.341 3.312 1.00 23.41 H new ATOM 0 HD13 ILE A 52 49.424 -14.001 1.861 1.00 23.41 H new ATOM 751 N LEU A 53 45.451 -10.016 2.180 1.00 21.43 N ATOM 752 CA LEU A 53 44.140 -9.737 2.755 1.00 11.35 C ATOM 753 C LEU A 53 43.064 -10.597 2.101 1.00 34.03 C ATOM 754 O LEU A 53 43.090 -10.829 0.893 1.00 53.24 O ATOM 755 CB LEU A 53 43.795 -8.256 2.591 1.00 14.44 C ATOM 756 CG LEU A 53 43.527 -7.783 1.162 1.00 72.10 C ATOM 757 CD1 LEU A 53 44.599 -8.305 0.218 1.00 74.13 C ATOM 758 CD2 LEU A 53 42.146 -8.229 0.703 1.00 40.41 C ATOM 0 H LEU A 53 45.423 -10.429 1.248 1.00 21.43 H new ATOM 0 HA LEU A 53 44.177 -9.980 3.817 1.00 11.35 H new ATOM 0 HB2 LEU A 53 42.914 -8.040 3.195 1.00 14.44 H new ATOM 0 HB3 LEU A 53 44.615 -7.665 3.000 1.00 14.44 H new ATOM 0 HG LEU A 53 43.558 -6.694 1.148 1.00 72.10 H new ATOM 0 HD11 LEU A 53 44.392 -7.959 -0.795 1.00 74.13 H new ATOM 0 HD12 LEU A 53 45.574 -7.936 0.536 1.00 74.13 H new ATOM 0 HD13 LEU A 53 44.600 -9.395 0.235 1.00 74.13 H new ATOM 0 HD21 LEU A 53 41.972 -7.884 -0.316 1.00 40.41 H new ATOM 0 HD22 LEU A 53 42.087 -9.317 0.733 1.00 40.41 H new ATOM 0 HD23 LEU A 53 41.389 -7.806 1.363 1.00 40.41 H new ATOM 770 N SER A 54 42.117 -11.066 2.908 1.00 72.02 N ATOM 771 CA SER A 54 41.032 -11.902 2.408 1.00 72.13 C ATOM 772 C SER A 54 39.718 -11.563 3.106 1.00 44.41 C ATOM 773 O SER A 54 39.586 -11.732 4.318 1.00 35.42 O ATOM 774 CB SER A 54 41.364 -13.381 2.612 1.00 33.42 C ATOM 775 OG SER A 54 41.406 -14.070 1.375 1.00 62.44 O ATOM 0 H SER A 54 42.079 -10.881 3.910 1.00 72.02 H new ATOM 0 HA SER A 54 40.918 -11.706 1.342 1.00 72.13 H new ATOM 0 HB2 SER A 54 42.326 -13.475 3.117 1.00 33.42 H new ATOM 0 HB3 SER A 54 40.617 -13.838 3.261 1.00 33.42 H new ATOM 0 HG SER A 54 41.622 -15.013 1.533 1.00 62.44 H new ATOM 781 N ILE A 55 38.751 -11.082 2.332 1.00 62.22 N ATOM 782 CA ILE A 55 37.448 -10.720 2.875 1.00 50.33 C ATOM 783 C ILE A 55 36.321 -11.200 1.966 1.00 2.24 C ATOM 784 O ILE A 55 36.307 -10.909 0.770 1.00 2.55 O ATOM 785 CB ILE A 55 37.323 -9.197 3.068 1.00 14.15 C ATOM 786 CG1 ILE A 55 38.318 -8.712 4.124 1.00 12.53 C ATOM 787 CG2 ILE A 55 35.900 -8.829 3.464 1.00 5.32 C ATOM 788 CD1 ILE A 55 38.176 -7.243 4.459 1.00 71.14 C ATOM 0 H ILE A 55 38.845 -10.934 1.327 1.00 62.22 H new ATOM 0 HA ILE A 55 37.363 -11.210 3.845 1.00 50.33 H new ATOM 0 HB ILE A 55 37.556 -8.705 2.124 1.00 14.15 H new ATOM 0 HG12 ILE A 55 38.185 -9.298 5.033 1.00 12.53 H new ATOM 0 HG13 ILE A 55 39.332 -8.899 3.770 1.00 12.53 H new ATOM 0 HG21 ILE A 55 35.827 -7.750 3.597 1.00 5.32 H new ATOM 0 HG22 ILE A 55 35.211 -9.146 2.681 1.00 5.32 H new ATOM 0 HG23 ILE A 55 35.642 -9.328 4.398 1.00 5.32 H new ATOM 0 HD11 ILE A 55 38.913 -6.969 5.214 1.00 71.14 H new ATOM 0 HD12 ILE A 55 38.339 -6.648 3.561 1.00 71.14 H new ATOM 0 HD13 ILE A 55 37.174 -7.053 4.844 1.00 71.14 H new ATOM 800 N SER A 56 35.377 -11.936 2.543 1.00 15.10 N ATOM 801 CA SER A 56 34.246 -12.459 1.785 1.00 14.52 C ATOM 802 C SER A 56 32.924 -12.050 2.430 1.00 45.03 C ATOM 803 O SER A 56 32.584 -12.511 3.518 1.00 11.33 O ATOM 804 CB SER A 56 34.329 -13.983 1.690 1.00 65.15 C ATOM 805 OG SER A 56 35.543 -14.463 2.242 1.00 41.20 O ATOM 0 H SER A 56 35.373 -12.184 3.532 1.00 15.10 H new ATOM 0 HA SER A 56 34.287 -12.037 0.781 1.00 14.52 H new ATOM 0 HB2 SER A 56 33.485 -14.430 2.216 1.00 65.15 H new ATOM 0 HB3 SER A 56 34.254 -14.290 0.647 1.00 65.15 H new ATOM 0 HG SER A 56 35.543 -15.443 2.229 1.00 41.20 H new ATOM 811 N ASN A 57 32.185 -11.181 1.748 1.00 34.31 N ATOM 812 CA ASN A 57 30.901 -10.709 2.253 1.00 34.14 C ATOM 813 C ASN A 57 29.792 -10.952 1.234 1.00 41.03 C ATOM 814 O ASN A 57 29.169 -10.011 0.743 1.00 44.13 O ATOM 815 CB ASN A 57 30.979 -9.219 2.593 1.00 62.31 C ATOM 816 CG ASN A 57 32.009 -8.925 3.666 1.00 11.54 C ATOM 817 OD1 ASN A 57 32.766 -9.805 4.075 1.00 70.33 O ATOM 818 ND2 ASN A 57 32.041 -7.680 4.129 1.00 22.33 N ATOM 0 H ASN A 57 32.453 -10.790 0.845 1.00 34.31 H new ATOM 0 HA ASN A 57 30.667 -11.270 3.158 1.00 34.14 H new ATOM 0 HB2 ASN A 57 31.225 -8.656 1.693 1.00 62.31 H new ATOM 0 HB3 ASN A 57 30.001 -8.874 2.928 1.00 62.31 H new ATOM 0 HD21 ASN A 57 32.712 -7.422 4.852 1.00 22.33 H new ATOM 0 HD22 ASN A 57 31.394 -6.982 3.761 1.00 22.33 H new ATOM 825 N ALA A 58 29.551 -12.221 0.921 1.00 42.14 N ATOM 826 CA ALA A 58 28.516 -12.588 -0.038 1.00 65.01 C ATOM 827 C ALA A 58 27.914 -13.948 0.298 1.00 13.34 C ATOM 828 O ALA A 58 27.278 -14.581 -0.544 1.00 65.52 O ATOM 829 CB ALA A 58 29.084 -12.595 -1.450 1.00 14.20 C ATOM 0 H ALA A 58 30.058 -13.012 1.318 1.00 42.14 H new ATOM 0 HA ALA A 58 27.722 -11.844 0.019 1.00 65.01 H new ATOM 0 HB1 ALA A 58 28.301 -12.871 -2.156 1.00 14.20 H new ATOM 0 HB2 ALA A 58 29.461 -11.602 -1.696 1.00 14.20 H new ATOM 0 HB3 ALA A 58 29.898 -13.317 -1.511 1.00 14.20 H new ATOM 835 N SER A 59 28.118 -14.391 1.535 1.00 54.50 N ATOM 836 CA SER A 59 27.598 -15.678 1.981 1.00 12.24 C ATOM 837 C SER A 59 26.117 -15.573 2.334 1.00 41.01 C ATOM 838 O SER A 59 25.326 -16.458 2.009 1.00 70.45 O ATOM 839 CB SER A 59 28.388 -16.179 3.192 1.00 13.51 C ATOM 840 OG SER A 59 29.708 -16.540 2.826 1.00 50.04 O ATOM 0 H SER A 59 28.639 -13.878 2.246 1.00 54.50 H new ATOM 0 HA SER A 59 27.709 -16.390 1.163 1.00 12.24 H new ATOM 0 HB2 SER A 59 28.419 -15.403 3.957 1.00 13.51 H new ATOM 0 HB3 SER A 59 27.881 -17.038 3.631 1.00 13.51 H new ATOM 0 HG SER A 59 30.192 -16.855 3.618 1.00 50.04 H new ATOM 846 N ASP A 60 25.750 -14.485 3.001 1.00 1.52 N ATOM 847 CA ASP A 60 24.365 -14.262 3.398 1.00 54.30 C ATOM 848 C ASP A 60 24.193 -12.879 4.019 1.00 32.00 C ATOM 849 O ASP A 60 23.201 -12.194 3.768 1.00 4.23 O ATOM 850 CB ASP A 60 23.916 -15.338 4.387 1.00 34.24 C ATOM 851 CG ASP A 60 22.406 -15.432 4.495 1.00 24.23 C ATOM 852 OD1 ASP A 60 21.807 -14.583 5.187 1.00 14.41 O ATOM 853 OD2 ASP A 60 21.825 -16.355 3.887 1.00 12.33 O ATOM 0 H ASP A 60 26.393 -13.743 3.278 1.00 1.52 H new ATOM 0 HA ASP A 60 23.743 -14.319 2.504 1.00 54.30 H new ATOM 0 HB2 ASP A 60 24.316 -16.303 4.076 1.00 34.24 H new ATOM 0 HB3 ASP A 60 24.335 -15.122 5.370 1.00 34.24 H new ATOM 858 N SER A 61 25.165 -12.476 4.831 1.00 14.24 N ATOM 859 CA SER A 61 25.119 -11.177 5.492 1.00 14.15 C ATOM 860 C SER A 61 26.363 -10.958 6.347 1.00 4.10 C ATOM 861 O SER A 61 27.028 -9.926 6.244 1.00 61.45 O ATOM 862 CB SER A 61 23.864 -11.067 6.361 1.00 20.32 C ATOM 863 OG SER A 61 23.487 -12.333 6.875 1.00 63.11 O ATOM 0 H SER A 61 25.994 -13.030 5.047 1.00 14.24 H new ATOM 0 HA SER A 61 25.088 -10.406 4.722 1.00 14.15 H new ATOM 0 HB2 SER A 61 24.047 -10.377 7.184 1.00 20.32 H new ATOM 0 HB3 SER A 61 23.046 -10.651 5.773 1.00 20.32 H new ATOM 0 HG SER A 61 22.684 -12.236 7.428 1.00 63.11 H new ATOM 869 N HIS A 62 26.673 -11.936 7.192 1.00 61.30 N ATOM 870 CA HIS A 62 27.838 -11.852 8.065 1.00 24.01 C ATOM 871 C HIS A 62 29.093 -11.511 7.266 1.00 74.21 C ATOM 872 O HIS A 62 29.418 -12.182 6.287 1.00 4.23 O ATOM 873 CB HIS A 62 28.038 -13.171 8.812 1.00 5.25 C ATOM 874 CG HIS A 62 28.236 -14.348 7.908 1.00 51.02 C ATOM 875 ND1 HIS A 62 29.474 -14.892 7.639 1.00 4.53 N ATOM 876 CD2 HIS A 62 27.343 -15.087 7.209 1.00 32.44 C ATOM 877 CE1 HIS A 62 29.335 -15.913 6.814 1.00 73.24 C ATOM 878 NE2 HIS A 62 28.051 -16.053 6.538 1.00 73.44 N ATOM 0 H HIS A 62 26.133 -12.796 7.291 1.00 61.30 H new ATOM 0 HA HIS A 62 27.662 -11.056 8.789 1.00 24.01 H new ATOM 0 HB2 HIS A 62 28.903 -13.079 9.469 1.00 5.25 H new ATOM 0 HB3 HIS A 62 27.172 -13.354 9.448 1.00 5.25 H new ATOM 0 HD2 HIS A 62 26.273 -14.943 7.184 1.00 32.44 H new ATOM 0 HE1 HIS A 62 30.135 -16.529 6.430 1.00 73.24 H new ATOM 0 HE2 HIS A 62 27.650 -16.764 5.926 1.00 73.44 H new ATOM 886 N GLY A 63 29.792 -10.463 7.690 1.00 64.10 N ATOM 887 CA GLY A 63 31.002 -10.051 7.002 1.00 70.20 C ATOM 888 C GLY A 63 32.250 -10.665 7.605 1.00 32.12 C ATOM 889 O GLY A 63 32.663 -10.295 8.705 1.00 22.51 O ATOM 0 H GLY A 63 29.542 -9.892 8.497 1.00 64.10 H new ATOM 0 HA2 GLY A 63 30.933 -10.334 5.952 1.00 70.20 H new ATOM 0 HA3 GLY A 63 31.083 -8.965 7.035 1.00 70.20 H new ATOM 893 N LEU A 64 32.851 -11.606 6.886 1.00 61.20 N ATOM 894 CA LEU A 64 34.059 -12.275 7.357 1.00 0.44 C ATOM 895 C LEU A 64 35.308 -11.537 6.887 1.00 5.44 C ATOM 896 O LEU A 64 35.430 -11.186 5.714 1.00 14.21 O ATOM 897 CB LEU A 64 34.091 -13.722 6.863 1.00 41.35 C ATOM 898 CG LEU A 64 34.572 -13.929 5.426 1.00 75.22 C ATOM 899 CD1 LEU A 64 36.071 -14.183 5.396 1.00 53.44 C ATOM 900 CD2 LEU A 64 33.821 -15.081 4.774 1.00 72.04 C ATOM 0 H LEU A 64 32.522 -11.923 5.974 1.00 61.20 H new ATOM 0 HA LEU A 64 34.045 -12.271 8.447 1.00 0.44 H new ATOM 0 HB2 LEU A 64 34.735 -14.298 7.527 1.00 41.35 H new ATOM 0 HB3 LEU A 64 33.088 -14.138 6.953 1.00 41.35 H new ATOM 0 HG LEU A 64 34.367 -13.020 4.860 1.00 75.22 H new ATOM 0 HD11 LEU A 64 36.395 -14.328 4.365 1.00 53.44 H new ATOM 0 HD12 LEU A 64 36.594 -13.327 5.824 1.00 53.44 H new ATOM 0 HD13 LEU A 64 36.300 -15.076 5.977 1.00 53.44 H new ATOM 0 HD21 LEU A 64 34.176 -15.214 3.752 1.00 72.04 H new ATOM 0 HD22 LEU A 64 33.995 -15.996 5.341 1.00 72.04 H new ATOM 0 HD23 LEU A 64 32.754 -14.859 4.762 1.00 72.04 H new ATOM 912 N ALA A 65 36.236 -11.306 7.811 1.00 70.30 N ATOM 913 CA ALA A 65 37.478 -10.614 7.490 1.00 21.33 C ATOM 914 C ALA A 65 38.681 -11.345 8.077 1.00 30.10 C ATOM 915 O ALA A 65 38.701 -11.675 9.263 1.00 61.13 O ATOM 916 CB ALA A 65 37.430 -9.181 7.998 1.00 52.20 C ATOM 0 H ALA A 65 36.151 -11.588 8.787 1.00 70.30 H new ATOM 0 HA ALA A 65 37.588 -10.600 6.406 1.00 21.33 H new ATOM 0 HB1 ALA A 65 38.364 -8.676 7.751 1.00 52.20 H new ATOM 0 HB2 ALA A 65 36.599 -8.656 7.528 1.00 52.20 H new ATOM 0 HB3 ALA A 65 37.293 -9.183 9.079 1.00 52.20 H new ATOM 922 N SER A 66 39.682 -11.596 7.239 1.00 11.41 N ATOM 923 CA SER A 66 40.887 -12.292 7.674 1.00 1.22 C ATOM 924 C SER A 66 42.122 -11.724 6.981 1.00 23.45 C ATOM 925 O SER A 66 42.037 -11.181 5.879 1.00 20.44 O ATOM 926 CB SER A 66 40.769 -13.789 7.385 1.00 71.41 C ATOM 927 OG SER A 66 41.708 -14.531 8.143 1.00 24.15 O ATOM 0 H SER A 66 39.682 -11.328 6.255 1.00 11.41 H new ATOM 0 HA SER A 66 40.995 -12.144 8.749 1.00 1.22 H new ATOM 0 HB2 SER A 66 39.760 -14.129 7.617 1.00 71.41 H new ATOM 0 HB3 SER A 66 40.930 -13.971 6.322 1.00 71.41 H new ATOM 0 HG SER A 66 42.031 -13.984 8.889 1.00 24.15 H new ATOM 933 N THR A 67 43.272 -11.854 7.636 1.00 2.11 N ATOM 934 CA THR A 67 44.526 -11.354 7.086 1.00 54.24 C ATOM 935 C THR A 67 45.707 -12.194 7.556 1.00 30.34 C ATOM 936 O THR A 67 45.538 -13.155 8.309 1.00 41.30 O ATOM 937 CB THR A 67 44.766 -9.884 7.480 1.00 31.43 C ATOM 938 OG1 THR A 67 44.925 -9.778 8.899 1.00 24.13 O ATOM 939 CG2 THR A 67 43.609 -9.006 7.028 1.00 60.43 C ATOM 0 H THR A 67 43.361 -12.302 8.548 1.00 2.11 H new ATOM 0 HA THR A 67 44.445 -11.423 6.001 1.00 54.24 H new ATOM 0 HB THR A 67 45.675 -9.542 6.985 1.00 31.43 H new ATOM 0 HG1 THR A 67 45.079 -8.841 9.142 1.00 24.13 H new ATOM 0 HG21 THR A 67 43.801 -7.973 7.318 1.00 60.43 H new ATOM 0 HG22 THR A 67 43.508 -9.066 5.944 1.00 60.43 H new ATOM 0 HG23 THR A 67 42.687 -9.349 7.498 1.00 60.43 H new ATOM 947 N LEU A 68 46.903 -11.828 7.110 1.00 41.51 N ATOM 948 CA LEU A 68 48.114 -12.548 7.487 1.00 44.05 C ATOM 949 C LEU A 68 49.359 -11.733 7.151 1.00 3.24 C ATOM 950 O LEU A 68 50.200 -12.162 6.362 1.00 10.43 O ATOM 951 CB LEU A 68 48.169 -13.900 6.774 1.00 23.40 C ATOM 952 CG LEU A 68 49.260 -14.863 7.244 1.00 23.14 C ATOM 953 CD1 LEU A 68 48.684 -15.900 8.196 1.00 14.40 C ATOM 954 CD2 LEU A 68 49.924 -15.540 6.054 1.00 52.01 C ATOM 0 H LEU A 68 47.060 -11.036 6.486 1.00 41.51 H new ATOM 0 HA LEU A 68 48.089 -12.712 8.564 1.00 44.05 H new ATOM 0 HB2 LEU A 68 47.203 -14.391 6.894 1.00 23.40 H new ATOM 0 HB3 LEU A 68 48.306 -13.720 5.708 1.00 23.40 H new ATOM 0 HG LEU A 68 50.017 -14.289 7.779 1.00 23.14 H new ATOM 0 HD11 LEU A 68 49.475 -16.576 8.520 1.00 14.40 H new ATOM 0 HD12 LEU A 68 48.257 -15.399 9.065 1.00 14.40 H new ATOM 0 HD13 LEU A 68 47.906 -16.469 7.687 1.00 14.40 H new ATOM 0 HD21 LEU A 68 50.698 -16.221 6.408 1.00 52.01 H new ATOM 0 HD22 LEU A 68 49.177 -16.100 5.491 1.00 52.01 H new ATOM 0 HD23 LEU A 68 50.373 -14.784 5.410 1.00 52.01 H new ATOM 966 N ASN A 69 49.471 -10.556 7.759 1.00 52.24 N ATOM 967 CA ASN A 69 50.614 -9.681 7.526 1.00 42.12 C ATOM 968 C ASN A 69 50.956 -8.887 8.783 1.00 44.22 C ATOM 969 O ASN A 69 50.244 -8.955 9.784 1.00 23.12 O ATOM 970 CB ASN A 69 50.323 -8.724 6.368 1.00 63.11 C ATOM 971 CG ASN A 69 49.289 -7.676 6.730 1.00 2.42 C ATOM 972 OD1 ASN A 69 48.177 -8.002 7.144 1.00 33.03 O ATOM 973 ND2 ASN A 69 49.653 -6.408 6.575 1.00 12.11 N ATOM 0 H ASN A 69 48.784 -10.187 8.416 1.00 52.24 H new ATOM 0 HA ASN A 69 51.470 -10.304 7.267 1.00 42.12 H new ATOM 0 HB2 ASN A 69 51.247 -8.230 6.067 1.00 63.11 H new ATOM 0 HB3 ASN A 69 49.972 -9.295 5.508 1.00 63.11 H new ATOM 0 HD21 ASN A 69 49.000 -5.658 6.802 1.00 12.11 H new ATOM 0 HD22 ASN A 69 50.586 -6.184 6.229 1.00 12.11 H new ATOM 980 N GLN A 70 52.050 -8.134 8.721 1.00 23.43 N ATOM 981 CA GLN A 70 52.487 -7.327 9.855 1.00 75.53 C ATOM 982 C GLN A 70 52.077 -5.870 9.675 1.00 53.53 C ATOM 983 O GLN A 70 52.476 -5.217 8.711 1.00 15.53 O ATOM 984 CB GLN A 70 54.004 -7.426 10.024 1.00 34.01 C ATOM 985 CG GLN A 70 54.472 -8.777 10.541 1.00 55.10 C ATOM 986 CD GLN A 70 54.313 -9.881 9.515 1.00 63.25 C ATOM 987 OE1 GLN A 70 54.620 -9.698 8.336 1.00 12.21 O ATOM 988 NE2 GLN A 70 53.833 -11.037 9.957 1.00 33.15 N ATOM 0 H GLN A 70 52.649 -8.066 7.899 1.00 23.43 H new ATOM 0 HA GLN A 70 52.003 -7.713 10.752 1.00 75.53 H new ATOM 0 HB2 GLN A 70 54.482 -7.228 9.064 1.00 34.01 H new ATOM 0 HB3 GLN A 70 54.336 -6.648 10.712 1.00 34.01 H new ATOM 0 HG2 GLN A 70 55.520 -8.707 10.834 1.00 55.10 H new ATOM 0 HG3 GLN A 70 53.907 -9.035 11.437 1.00 55.10 H new ATOM 0 HE21 GLN A 70 53.591 -11.146 10.942 1.00 33.15 H new ATOM 0 HE22 GLN A 70 53.706 -11.817 9.312 1.00 33.15 H new ATOM 997 N GLY A 71 51.277 -5.365 10.609 1.00 12.23 N ATOM 998 CA GLY A 71 50.826 -3.987 10.535 1.00 72.50 C ATOM 999 C GLY A 71 49.394 -3.820 11.002 1.00 33.35 C ATOM 1000 O GLY A 71 48.998 -4.380 12.024 1.00 10.10 O ATOM 0 H GLY A 71 50.933 -5.885 11.416 1.00 12.23 H new ATOM 0 HA2 GLY A 71 51.479 -3.361 11.144 1.00 72.50 H new ATOM 0 HA3 GLY A 71 50.913 -3.634 9.507 1.00 72.50 H new ATOM 1004 N ASN A 72 48.615 -3.046 10.254 1.00 71.24 N ATOM 1005 CA ASN A 72 47.219 -2.805 10.599 1.00 54.24 C ATOM 1006 C ASN A 72 46.314 -3.019 9.389 1.00 44.25 C ATOM 1007 O ASN A 72 46.711 -2.766 8.251 1.00 42.31 O ATOM 1008 CB ASN A 72 47.043 -1.383 11.136 1.00 73.03 C ATOM 1009 CG ASN A 72 47.084 -0.340 10.035 1.00 32.25 C ATOM 1010 OD1 ASN A 72 46.068 -0.048 9.404 1.00 44.03 O ATOM 1011 ND2 ASN A 72 48.262 0.226 9.801 1.00 13.53 N ATOM 0 H ASN A 72 48.927 -2.575 9.405 1.00 71.24 H new ATOM 0 HA ASN A 72 46.934 -3.517 11.374 1.00 54.24 H new ATOM 0 HB2 ASN A 72 46.092 -1.312 11.665 1.00 73.03 H new ATOM 0 HB3 ASN A 72 47.828 -1.172 11.862 1.00 73.03 H new ATOM 0 HD21 ASN A 72 48.352 0.935 9.073 1.00 13.53 H new ATOM 0 HD22 ASN A 72 49.077 -0.048 10.349 1.00 13.53 H new ATOM 1018 N VAL A 73 45.096 -3.486 9.642 1.00 21.22 N ATOM 1019 CA VAL A 73 44.134 -3.733 8.575 1.00 42.35 C ATOM 1020 C VAL A 73 42.765 -3.160 8.925 1.00 24.52 C ATOM 1021 O VAL A 73 42.307 -3.270 10.062 1.00 34.54 O ATOM 1022 CB VAL A 73 43.990 -5.239 8.286 1.00 42.35 C ATOM 1023 CG1 VAL A 73 43.639 -5.996 9.557 1.00 4.55 C ATOM 1024 CG2 VAL A 73 42.943 -5.476 7.208 1.00 61.30 C ATOM 0 H VAL A 73 44.752 -3.701 10.578 1.00 21.22 H new ATOM 0 HA VAL A 73 44.516 -3.235 7.684 1.00 42.35 H new ATOM 0 HB VAL A 73 44.946 -5.614 7.921 1.00 42.35 H new ATOM 0 HG11 VAL A 73 43.541 -7.058 9.333 1.00 4.55 H new ATOM 0 HG12 VAL A 73 44.427 -5.852 10.296 1.00 4.55 H new ATOM 0 HG13 VAL A 73 42.696 -5.621 9.955 1.00 4.55 H new ATOM 0 HG21 VAL A 73 42.854 -6.545 7.016 1.00 61.30 H new ATOM 0 HG22 VAL A 73 41.982 -5.086 7.542 1.00 61.30 H new ATOM 0 HG23 VAL A 73 43.242 -4.967 6.292 1.00 61.30 H new ATOM 1034 N LYS A 74 42.116 -2.549 7.940 1.00 10.04 N ATOM 1035 CA LYS A 74 40.798 -1.960 8.143 1.00 54.04 C ATOM 1036 C LYS A 74 39.787 -2.537 7.156 1.00 10.23 C ATOM 1037 O LYS A 74 39.984 -2.475 5.943 1.00 61.13 O ATOM 1038 CB LYS A 74 40.867 -0.439 7.988 1.00 74.15 C ATOM 1039 CG LYS A 74 39.520 0.249 8.134 1.00 24.03 C ATOM 1040 CD LYS A 74 39.054 0.260 9.581 1.00 64.25 C ATOM 1041 CE LYS A 74 39.172 1.647 10.194 1.00 62.33 C ATOM 1042 NZ LYS A 74 38.266 2.625 9.531 1.00 43.14 N ATOM 0 H LYS A 74 42.481 -2.449 6.993 1.00 10.04 H new ATOM 0 HA LYS A 74 40.471 -2.201 9.154 1.00 54.04 H new ATOM 0 HB2 LYS A 74 41.554 -0.037 8.733 1.00 74.15 H new ATOM 0 HB3 LYS A 74 41.283 -0.200 7.009 1.00 74.15 H new ATOM 0 HG2 LYS A 74 39.591 1.272 7.766 1.00 24.03 H new ATOM 0 HG3 LYS A 74 38.781 -0.261 7.516 1.00 24.03 H new ATOM 0 HD2 LYS A 74 38.018 -0.075 9.633 1.00 64.25 H new ATOM 0 HD3 LYS A 74 39.647 -0.447 10.161 1.00 64.25 H new ATOM 0 HE2 LYS A 74 38.936 1.596 11.257 1.00 62.33 H new ATOM 0 HE3 LYS A 74 40.202 1.993 10.113 1.00 62.33 H new ATOM 0 HZ1 LYS A 74 38.033 3.389 10.197 1.00 43.14 H new ATOM 0 HZ2 LYS A 74 38.739 3.026 8.696 1.00 43.14 H new ATOM 0 HZ3 LYS A 74 37.392 2.144 9.236 1.00 43.14 H new ATOM 1056 N VAL A 75 38.703 -3.096 7.685 1.00 24.24 N ATOM 1057 CA VAL A 75 37.660 -3.681 6.851 1.00 25.54 C ATOM 1058 C VAL A 75 36.581 -2.657 6.522 1.00 53.12 C ATOM 1059 O VAL A 75 36.141 -1.901 7.388 1.00 12.54 O ATOM 1060 CB VAL A 75 37.008 -4.896 7.538 1.00 11.25 C ATOM 1061 CG1 VAL A 75 35.993 -5.551 6.614 1.00 1.00 C ATOM 1062 CG2 VAL A 75 38.069 -5.895 7.973 1.00 60.51 C ATOM 0 H VAL A 75 38.524 -3.156 8.687 1.00 24.24 H new ATOM 0 HA VAL A 75 38.139 -4.009 5.928 1.00 25.54 H new ATOM 0 HB VAL A 75 36.482 -4.550 8.428 1.00 11.25 H new ATOM 0 HG11 VAL A 75 35.543 -6.407 7.116 1.00 1.00 H new ATOM 0 HG12 VAL A 75 35.216 -4.831 6.358 1.00 1.00 H new ATOM 0 HG13 VAL A 75 36.492 -5.885 5.704 1.00 1.00 H new ATOM 0 HG21 VAL A 75 37.590 -6.747 8.456 1.00 60.51 H new ATOM 0 HG22 VAL A 75 38.625 -6.238 7.101 1.00 60.51 H new ATOM 0 HG23 VAL A 75 38.753 -5.417 8.674 1.00 60.51 H new ATOM 1072 N THR A 76 36.156 -2.637 5.262 1.00 30.21 N ATOM 1073 CA THR A 76 35.128 -1.705 4.817 1.00 72.22 C ATOM 1074 C THR A 76 33.986 -2.437 4.121 1.00 64.45 C ATOM 1075 O THR A 76 34.209 -3.213 3.192 1.00 62.41 O ATOM 1076 CB THR A 76 35.706 -0.648 3.857 1.00 74.00 C ATOM 1077 OG1 THR A 76 37.117 -0.840 3.709 1.00 11.42 O ATOM 1078 CG2 THR A 76 35.431 0.757 4.371 1.00 55.23 C ATOM 0 H THR A 76 36.508 -3.256 4.532 1.00 30.21 H new ATOM 0 HA THR A 76 34.746 -1.206 5.708 1.00 72.22 H new ATOM 0 HB THR A 76 35.221 -0.765 2.888 1.00 74.00 H new ATOM 0 HG1 THR A 76 37.476 -0.165 3.096 1.00 11.42 H new ATOM 0 HG21 THR A 76 35.848 1.487 3.677 1.00 55.23 H new ATOM 0 HG22 THR A 76 34.355 0.910 4.454 1.00 55.23 H new ATOM 0 HG23 THR A 76 35.892 0.883 5.350 1.00 55.23 H new ATOM 1086 N ALA A 77 32.763 -2.185 4.575 1.00 42.11 N ATOM 1087 CA ALA A 77 31.586 -2.818 3.993 1.00 24.42 C ATOM 1088 C ALA A 77 30.373 -1.899 4.072 1.00 55.32 C ATOM 1089 O ALA A 77 30.100 -1.303 5.114 1.00 51.43 O ATOM 1090 CB ALA A 77 31.297 -4.138 4.693 1.00 63.10 C ATOM 0 H ALA A 77 32.561 -1.547 5.344 1.00 42.11 H new ATOM 0 HA ALA A 77 31.792 -3.014 2.941 1.00 24.42 H new ATOM 0 HB1 ALA A 77 30.416 -4.600 4.249 1.00 63.10 H new ATOM 0 HB2 ALA A 77 32.152 -4.805 4.580 1.00 63.10 H new ATOM 0 HB3 ALA A 77 31.116 -3.956 5.752 1.00 63.10 H new ATOM 1096 N SER A 78 29.647 -1.788 2.963 1.00 3.45 N ATOM 1097 CA SER A 78 28.465 -0.936 2.906 1.00 74.51 C ATOM 1098 C SER A 78 27.422 -1.518 1.956 1.00 64.23 C ATOM 1099 O SER A 78 27.758 -2.026 0.885 1.00 15.30 O ATOM 1100 CB SER A 78 28.848 0.475 2.458 1.00 13.43 C ATOM 1101 OG SER A 78 29.355 0.471 1.135 1.00 31.11 O ATOM 0 H SER A 78 29.857 -2.277 2.093 1.00 3.45 H new ATOM 0 HA SER A 78 28.034 -0.887 3.906 1.00 74.51 H new ATOM 0 HB2 SER A 78 27.976 1.127 2.515 1.00 13.43 H new ATOM 0 HB3 SER A 78 29.597 0.884 3.136 1.00 13.43 H new ATOM 0 HG SER A 78 29.591 1.385 0.872 1.00 31.11 H new ATOM 1107 N ILE A 79 26.158 -1.441 2.356 1.00 53.53 N ATOM 1108 CA ILE A 79 25.066 -1.958 1.540 1.00 11.12 C ATOM 1109 C ILE A 79 23.890 -0.987 1.516 1.00 61.31 C ATOM 1110 O ILE A 79 23.347 -0.627 2.560 1.00 63.15 O ATOM 1111 CB ILE A 79 24.578 -3.325 2.055 1.00 60.14 C ATOM 1112 CG1 ILE A 79 23.404 -3.823 1.209 1.00 21.31 C ATOM 1113 CG2 ILE A 79 24.179 -3.228 3.520 1.00 62.24 C ATOM 1114 CD1 ILE A 79 22.894 -5.185 1.626 1.00 14.44 C ATOM 0 H ILE A 79 25.864 -1.026 3.240 1.00 53.53 H new ATOM 0 HA ILE A 79 25.456 -2.077 0.529 1.00 11.12 H new ATOM 0 HB ILE A 79 25.394 -4.042 1.968 1.00 60.14 H new ATOM 0 HG12 ILE A 79 22.588 -3.103 1.274 1.00 21.31 H new ATOM 0 HG13 ILE A 79 23.711 -3.863 0.164 1.00 21.31 H new ATOM 0 HG21 ILE A 79 23.836 -4.202 3.869 1.00 62.24 H new ATOM 0 HG22 ILE A 79 25.039 -2.912 4.111 1.00 62.24 H new ATOM 0 HG23 ILE A 79 23.376 -2.500 3.631 1.00 62.24 H new ATOM 0 HD11 ILE A 79 22.062 -5.475 0.984 1.00 14.44 H new ATOM 0 HD12 ILE A 79 23.696 -5.918 1.534 1.00 14.44 H new ATOM 0 HD13 ILE A 79 22.556 -5.146 2.661 1.00 14.44 H new ATOM 1126 N GLY A 80 23.500 -0.568 0.316 1.00 70.43 N ATOM 1127 CA GLY A 80 22.389 0.355 0.177 1.00 4.54 C ATOM 1128 C GLY A 80 22.710 1.733 0.723 1.00 52.04 C ATOM 1129 O GLY A 80 23.342 2.544 0.047 1.00 22.04 O ATOM 0 H GLY A 80 23.934 -0.851 -0.563 1.00 70.43 H new ATOM 0 HA2 GLY A 80 22.119 0.438 -0.876 1.00 4.54 H new ATOM 0 HA3 GLY A 80 21.520 -0.046 0.698 1.00 4.54 H new ATOM 1133 N GLY A 81 22.270 2.000 1.949 1.00 64.40 N ATOM 1134 CA GLY A 81 22.522 3.290 2.563 1.00 42.20 C ATOM 1135 C GLY A 81 23.570 3.218 3.656 1.00 61.22 C ATOM 1136 O GLY A 81 24.752 3.459 3.408 1.00 20.03 O ATOM 0 H GLY A 81 21.743 1.346 2.528 1.00 64.40 H new ATOM 0 HA2 GLY A 81 22.847 3.995 1.798 1.00 42.20 H new ATOM 0 HA3 GLY A 81 21.593 3.678 2.980 1.00 42.20 H new ATOM 1140 N ILE A 82 23.137 2.887 4.868 1.00 61.55 N ATOM 1141 CA ILE A 82 24.047 2.784 6.002 1.00 52.03 C ATOM 1142 C ILE A 82 25.239 1.893 5.671 1.00 21.54 C ATOM 1143 O ILE A 82 25.115 0.931 4.914 1.00 64.51 O ATOM 1144 CB ILE A 82 23.333 2.227 7.247 1.00 30.34 C ATOM 1145 CG1 ILE A 82 22.097 3.068 7.573 1.00 2.01 C ATOM 1146 CG2 ILE A 82 24.285 2.194 8.433 1.00 25.43 C ATOM 1147 CD1 ILE A 82 22.405 4.532 7.797 1.00 12.11 C ATOM 0 H ILE A 82 22.162 2.686 5.090 1.00 61.55 H new ATOM 0 HA ILE A 82 24.400 3.793 6.217 1.00 52.03 H new ATOM 0 HB ILE A 82 23.010 1.208 7.036 1.00 30.34 H new ATOM 0 HG12 ILE A 82 21.380 2.976 6.757 1.00 2.01 H new ATOM 0 HG13 ILE A 82 21.618 2.665 8.465 1.00 2.01 H new ATOM 0 HG21 ILE A 82 23.766 1.798 9.306 1.00 25.43 H new ATOM 0 HG22 ILE A 82 25.137 1.557 8.198 1.00 25.43 H new ATOM 0 HG23 ILE A 82 24.635 3.204 8.647 1.00 25.43 H new ATOM 0 HD11 ILE A 82 21.483 5.067 8.023 1.00 12.11 H new ATOM 0 HD12 ILE A 82 23.098 4.634 8.632 1.00 12.11 H new ATOM 0 HD13 ILE A 82 22.856 4.951 6.897 1.00 12.11 H new ATOM 1159 N GLN A 83 26.392 2.219 6.246 1.00 21.43 N ATOM 1160 CA GLN A 83 27.607 1.446 6.013 1.00 13.14 C ATOM 1161 C GLN A 83 28.291 1.097 7.331 1.00 34.30 C ATOM 1162 O GLN A 83 28.021 1.709 8.364 1.00 72.35 O ATOM 1163 CB GLN A 83 28.569 2.227 5.117 1.00 1.20 C ATOM 1164 CG GLN A 83 28.934 3.598 5.665 1.00 71.44 C ATOM 1165 CD GLN A 83 28.722 4.706 4.652 1.00 21.13 C ATOM 1166 OE1 GLN A 83 27.604 4.934 4.189 1.00 1.23 O ATOM 1167 NE2 GLN A 83 29.797 5.402 4.303 1.00 44.33 N ATOM 0 H GLN A 83 26.511 3.012 6.876 1.00 21.43 H new ATOM 0 HA GLN A 83 27.328 0.519 5.513 1.00 13.14 H new ATOM 0 HB2 GLN A 83 29.480 1.645 4.982 1.00 1.20 H new ATOM 0 HB3 GLN A 83 28.118 2.347 4.132 1.00 1.20 H new ATOM 0 HG2 GLN A 83 28.334 3.802 6.552 1.00 71.44 H new ATOM 0 HG3 GLN A 83 29.978 3.593 5.980 1.00 71.44 H new ATOM 0 HE21 GLN A 83 30.704 5.179 4.712 1.00 44.33 H new ATOM 0 HE22 GLN A 83 29.716 6.160 3.626 1.00 44.33 H new ATOM 1176 N GLY A 84 29.178 0.107 7.288 1.00 52.24 N ATOM 1177 CA GLY A 84 29.886 -0.307 8.485 1.00 42.04 C ATOM 1178 C GLY A 84 31.347 -0.609 8.218 1.00 25.21 C ATOM 1179 O GLY A 84 31.702 -1.097 7.145 1.00 32.30 O ATOM 0 H GLY A 84 29.419 -0.415 6.446 1.00 52.24 H new ATOM 0 HA2 GLY A 84 29.812 0.478 9.237 1.00 42.04 H new ATOM 0 HA3 GLY A 84 29.405 -1.193 8.900 1.00 42.04 H new ATOM 1183 N SER A 85 32.199 -0.317 9.196 1.00 34.24 N ATOM 1184 CA SER A 85 33.631 -0.556 9.060 1.00 13.33 C ATOM 1185 C SER A 85 34.231 -1.028 10.381 1.00 73.51 C ATOM 1186 O SER A 85 33.894 -0.516 11.449 1.00 42.21 O ATOM 1187 CB SER A 85 34.339 0.717 8.592 1.00 71.01 C ATOM 1188 OG SER A 85 34.311 1.715 9.597 1.00 1.41 O ATOM 0 H SER A 85 31.922 0.086 10.091 1.00 34.24 H new ATOM 0 HA SER A 85 33.775 -1.339 8.315 1.00 13.33 H new ATOM 0 HB2 SER A 85 35.372 0.487 8.332 1.00 71.01 H new ATOM 0 HB3 SER A 85 33.859 1.093 7.689 1.00 71.01 H new ATOM 0 HG SER A 85 34.771 2.518 9.274 1.00 1.41 H new ATOM 1194 N THR A 86 35.123 -2.011 10.301 1.00 74.15 N ATOM 1195 CA THR A 86 35.770 -2.555 11.488 1.00 75.23 C ATOM 1196 C THR A 86 37.273 -2.302 11.460 1.00 75.34 C ATOM 1197 O THR A 86 37.886 -2.266 10.393 1.00 74.24 O ATOM 1198 CB THR A 86 35.517 -4.069 11.621 1.00 45.00 C ATOM 1199 OG1 THR A 86 36.348 -4.787 10.702 1.00 44.32 O ATOM 1200 CG2 THR A 86 34.056 -4.400 11.356 1.00 4.33 C ATOM 0 H THR A 86 35.414 -2.447 9.426 1.00 74.15 H new ATOM 0 HA THR A 86 35.335 -2.045 12.347 1.00 75.23 H new ATOM 0 HB THR A 86 35.761 -4.367 12.641 1.00 45.00 H new ATOM 0 HG1 THR A 86 37.033 -5.282 11.198 1.00 44.32 H new ATOM 0 HG21 THR A 86 33.902 -5.475 11.456 1.00 4.33 H new ATOM 0 HG22 THR A 86 33.428 -3.875 12.076 1.00 4.33 H new ATOM 0 HG23 THR A 86 33.790 -4.088 10.346 1.00 4.33 H new ATOM 1208 N ASP A 87 37.861 -2.129 12.638 1.00 55.40 N ATOM 1209 CA ASP A 87 39.293 -1.881 12.748 1.00 4.23 C ATOM 1210 C ASP A 87 40.018 -3.112 13.283 1.00 62.12 C ATOM 1211 O ASP A 87 39.663 -3.647 14.333 1.00 31.41 O ATOM 1212 CB ASP A 87 39.557 -0.682 13.661 1.00 35.45 C ATOM 1213 CG ASP A 87 41.021 -0.293 13.698 1.00 42.21 C ATOM 1214 OD1 ASP A 87 41.672 -0.335 12.633 1.00 4.44 O ATOM 1215 OD2 ASP A 87 41.517 0.053 14.791 1.00 15.21 O ATOM 0 H ASP A 87 37.368 -2.156 13.530 1.00 55.40 H new ATOM 0 HA ASP A 87 39.676 -1.660 11.752 1.00 4.23 H new ATOM 0 HB2 ASP A 87 38.967 0.168 13.319 1.00 35.45 H new ATOM 0 HB3 ASP A 87 39.221 -0.917 14.671 1.00 35.45 H new ATOM 1220 N PHE A 88 41.035 -3.557 12.552 1.00 24.15 N ATOM 1221 CA PHE A 88 41.809 -4.727 12.952 1.00 42.22 C ATOM 1222 C PHE A 88 43.299 -4.401 13.004 1.00 21.42 C ATOM 1223 O PHE A 88 43.845 -3.786 12.088 1.00 12.32 O ATOM 1224 CB PHE A 88 41.562 -5.884 11.981 1.00 2.34 C ATOM 1225 CG PHE A 88 40.334 -6.686 12.305 1.00 42.21 C ATOM 1226 CD1 PHE A 88 39.083 -6.091 12.306 1.00 33.31 C ATOM 1227 CD2 PHE A 88 40.432 -8.034 12.608 1.00 34.24 C ATOM 1228 CE1 PHE A 88 37.951 -6.827 12.603 1.00 14.41 C ATOM 1229 CE2 PHE A 88 39.303 -8.775 12.906 1.00 41.43 C ATOM 1230 CZ PHE A 88 38.061 -8.170 12.904 1.00 3.13 C ATOM 0 H PHE A 88 41.342 -3.126 11.680 1.00 24.15 H new ATOM 0 HA PHE A 88 41.485 -5.023 13.950 1.00 42.22 H new ATOM 0 HB2 PHE A 88 41.470 -5.486 10.970 1.00 2.34 H new ATOM 0 HB3 PHE A 88 42.429 -6.544 11.987 1.00 2.34 H new ATOM 0 HD1 PHE A 88 38.991 -5.041 12.072 1.00 33.31 H new ATOM 0 HD2 PHE A 88 41.401 -8.512 12.612 1.00 34.24 H new ATOM 0 HE1 PHE A 88 36.981 -6.352 12.600 1.00 14.41 H new ATOM 0 HE2 PHE A 88 39.392 -9.826 13.140 1.00 41.43 H new ATOM 0 HZ PHE A 88 37.178 -8.746 13.137 1.00 3.13 H new ATOM 1240 N LYS A 89 43.952 -4.819 14.084 1.00 40.25 N ATOM 1241 CA LYS A 89 45.379 -4.574 14.258 1.00 52.43 C ATOM 1242 C LYS A 89 46.136 -5.883 14.455 1.00 73.10 C ATOM 1243 O LYS A 89 45.980 -6.554 15.475 1.00 22.04 O ATOM 1244 CB LYS A 89 45.616 -3.650 15.454 1.00 1.24 C ATOM 1245 CG LYS A 89 45.915 -2.213 15.064 1.00 51.23 C ATOM 1246 CD LYS A 89 47.104 -1.662 15.833 1.00 51.55 C ATOM 1247 CE LYS A 89 47.915 -0.693 14.986 1.00 53.44 C ATOM 1248 NZ LYS A 89 49.380 -0.896 15.159 1.00 74.10 N ATOM 0 H LYS A 89 43.515 -5.329 14.852 1.00 40.25 H new ATOM 0 HA LYS A 89 45.752 -4.092 13.355 1.00 52.43 H new ATOM 0 HB2 LYS A 89 44.735 -3.667 16.096 1.00 1.24 H new ATOM 0 HB3 LYS A 89 46.447 -4.038 16.043 1.00 1.24 H new ATOM 0 HG2 LYS A 89 46.116 -2.160 13.994 1.00 51.23 H new ATOM 0 HG3 LYS A 89 45.039 -1.594 15.255 1.00 51.23 H new ATOM 0 HD2 LYS A 89 46.754 -1.156 16.732 1.00 51.55 H new ATOM 0 HD3 LYS A 89 47.741 -2.484 16.158 1.00 51.55 H new ATOM 0 HE2 LYS A 89 47.652 -0.821 13.936 1.00 53.44 H new ATOM 0 HE3 LYS A 89 47.656 0.331 15.257 1.00 53.44 H new ATOM 0 HZ1 LYS A 89 49.897 -0.217 14.565 1.00 74.10 H new ATOM 0 HZ2 LYS A 89 49.635 -0.749 16.156 1.00 74.10 H new ATOM 0 HZ3 LYS A 89 49.632 -1.865 14.876 1.00 74.10 H new ATOM 1262 N VAL A 90 46.957 -6.241 13.473 1.00 53.35 N ATOM 1263 CA VAL A 90 47.740 -7.469 13.540 1.00 51.34 C ATOM 1264 C VAL A 90 49.155 -7.191 14.033 1.00 25.30 C ATOM 1265 O VAL A 90 49.863 -6.347 13.482 1.00 24.42 O ATOM 1266 CB VAL A 90 47.813 -8.163 12.167 1.00 64.22 C ATOM 1267 CG1 VAL A 90 48.278 -7.186 11.098 1.00 52.31 C ATOM 1268 CG2 VAL A 90 48.734 -9.373 12.231 1.00 54.22 C ATOM 0 H VAL A 90 47.097 -5.698 12.621 1.00 53.35 H new ATOM 0 HA VAL A 90 47.236 -8.129 14.246 1.00 51.34 H new ATOM 0 HB VAL A 90 46.814 -8.508 11.900 1.00 64.22 H new ATOM 0 HG11 VAL A 90 48.323 -7.695 10.135 1.00 52.31 H new ATOM 0 HG12 VAL A 90 47.577 -6.354 11.036 1.00 52.31 H new ATOM 0 HG13 VAL A 90 49.268 -6.808 11.356 1.00 52.31 H new ATOM 0 HG21 VAL A 90 48.774 -9.852 11.253 1.00 54.22 H new ATOM 0 HG22 VAL A 90 49.735 -9.053 12.520 1.00 54.22 H new ATOM 0 HG23 VAL A 90 48.353 -10.082 12.966 1.00 54.22 H new ATOM 1278 N THR A 91 49.564 -7.908 15.076 1.00 40.13 N ATOM 1279 CA THR A 91 50.895 -7.739 15.645 1.00 61.13 C ATOM 1280 C THR A 91 51.636 -9.069 15.714 1.00 20.44 C ATOM 1281 O THR A 91 51.048 -10.100 16.040 1.00 24.51 O ATOM 1282 CB THR A 91 50.829 -7.127 17.057 1.00 51.24 C ATOM 1283 OG1 THR A 91 49.653 -7.584 17.734 1.00 25.25 O ATOM 1284 CG2 THR A 91 50.822 -5.607 16.988 1.00 74.14 C ATOM 0 H THR A 91 48.992 -8.611 15.543 1.00 40.13 H new ATOM 0 HA THR A 91 51.436 -7.059 14.987 1.00 61.13 H new ATOM 0 HB THR A 91 51.713 -7.446 17.609 1.00 51.24 H new ATOM 0 HG1 THR A 91 49.619 -7.192 18.632 1.00 25.25 H new ATOM 0 HG21 THR A 91 50.775 -5.197 17.997 1.00 74.14 H new ATOM 0 HG22 THR A 91 51.732 -5.261 16.498 1.00 74.14 H new ATOM 0 HG23 THR A 91 49.954 -5.273 16.420 1.00 74.14 H new ATOM 1292 N GLN A 92 52.929 -9.038 15.407 1.00 73.30 N ATOM 1293 CA GLN A 92 53.749 -10.243 15.435 1.00 23.32 C ATOM 1294 C GLN A 92 53.718 -10.891 16.815 1.00 34.34 C ATOM 1295 O GLN A 92 53.495 -10.220 17.823 1.00 12.43 O ATOM 1296 CB GLN A 92 55.191 -9.913 15.047 1.00 45.21 C ATOM 1297 CG GLN A 92 55.828 -8.846 15.923 1.00 42.11 C ATOM 1298 CD GLN A 92 57.244 -8.510 15.497 1.00 13.51 C ATOM 1299 OE1 GLN A 92 57.827 -9.186 14.649 1.00 33.14 O ATOM 1300 NE2 GLN A 92 57.805 -7.459 16.084 1.00 30.14 N ATOM 0 H GLN A 92 53.431 -8.192 15.136 1.00 73.30 H new ATOM 0 HA GLN A 92 53.338 -10.948 14.713 1.00 23.32 H new ATOM 0 HB2 GLN A 92 55.790 -10.822 15.102 1.00 45.21 H new ATOM 0 HB3 GLN A 92 55.212 -9.580 14.009 1.00 45.21 H new ATOM 0 HG2 GLN A 92 55.219 -7.943 15.890 1.00 42.11 H new ATOM 0 HG3 GLN A 92 55.835 -9.188 16.958 1.00 42.11 H new ATOM 0 HE21 GLN A 92 57.285 -6.927 16.782 1.00 30.14 H new ATOM 0 HE22 GLN A 92 58.756 -7.184 15.837 1.00 30.14 H new