USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 849 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 103 ASN : amide:sc= -0.0289 X(o=-0.099,f=-0.39) USER MOD Set 1.2: A 107 GLN : amide:sc= -0.0702 X(o=-0.099,f=-0.046) USER MOD Set 2.1: A 67 GLN : amide:sc= -0.684 K(o=-2.4,f=-3.6!) USER MOD Set 2.2: A 71 MET CE :methyl -173:sc= -1.76 (180deg=-1.98) USER MOD Single : A 8 THR OG1 : rot 17:sc= 0.511 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1 K(o=-1,f=-12!) USER MOD Single : A 18 ASN : amide:sc= 1.11 K(o=1.1,f=-0.14) USER MOD Single : A 20 MET CE :methyl 136:sc= -1.31 (180deg=-2.89) USER MOD Single : A 21 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 22 SER OG : rot 84:sc= 0.958 USER MOD Single : A 24 MET CE :methyl 156:sc= -1.87! (180deg=-3.26!) USER MOD Single : A 25 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.74) USER MOD Single : A 28 SER OG : rot 73:sc= 1.28 USER MOD Single : A 29 SER OG : rot 78:sc= 0.473 USER MOD Single : A 30 MET CE :methyl 178:sc= -0.727 (180deg=-0.732) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.3) USER MOD Single : A 41 MET CE :methyl -154:sc= -0.224 (180deg=-1.15) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.359 USER MOD Single : A 46 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.15) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -156:sc= -0.622 (180deg=-2) USER MOD Single : A 50 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.18) USER MOD Single : A 51 SER OG : rot 79:sc= 1.25 USER MOD Single : A 53 GLN : amide:sc= -0.0645 K(o=-0.065,f=-0.64) USER MOD Single : A 54 SER OG : rot 78:sc= 0.0572 USER MOD Single : A 58 GLN : amide:sc= 0.842 K(o=0.84,f=-5.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.37 K(o=-2.4,f=-5.4!) USER MOD Single : A 75 SER OG : rot -83:sc= 1.11 USER MOD Single : A 76 SER OG : rot -91:sc= 1.25 USER MOD Single : A 77 MET CE :methyl -173:sc= -0.774 (180deg=-1.07) USER MOD Single : A 89 SER OG : rot 30:sc= 0.0341 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= -0.635 (180deg=-0.776) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 95 SER OG : rot 92:sc= 0.858 USER MOD Single : A 96 SER OG : rot 71:sc= 1.17 USER MOD Single : A 99 SER OG : rot 88:sc= 1.16 USER MOD Single : A 101 MET CE :methyl 145:sc= -1.59 (180deg=-3.23) USER MOD Single : A 102 SER OG : rot 77:sc= 0.56 USER MOD Single : A 108 THR OG1 : rot -81:sc= 0.863 USER MOD Single : A 109 THR OG1 : rot -17:sc= 0.473 USER MOD Single : A 113 ASN : amide:sc= -0.783 K(o=-0.78,f=-8.2!) USER MOD Single : A 114 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.095) USER MOD Single : A 118 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 121 THR OG1 : rot -82:sc= 1.12 USER MOD Single : A 122 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.47) USER MOD Single : A 125 SER OG : rot 84:sc= -0.366 USER MOD Single : A 126 MET CE :methyl 139:sc= -0.166 (180deg=-0.893) USER MOD Single : A 129 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.261 -0.646 -7.386 1.00 0.00 N ATOM 82 CA THR A 8 14.996 -0.230 -8.560 1.00 0.00 C ATOM 83 C THR A 8 16.388 -0.851 -8.527 1.00 0.00 C ATOM 84 O THR A 8 17.017 -0.898 -7.476 1.00 0.00 O ATOM 85 CB THR A 8 15.109 1.306 -8.610 1.00 0.00 C ATOM 86 OG1 THR A 8 13.926 1.894 -8.059 1.00 0.00 O ATOM 87 CG2 THR A 8 15.298 1.813 -10.032 1.00 0.00 C ATOM 0 HA THR A 8 14.464 -0.566 -9.450 1.00 0.00 H new ATOM 0 HB THR A 8 15.984 1.591 -8.026 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.440 1.223 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.373 2.900 -10.024 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.211 1.389 -10.451 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.446 1.513 -10.642 1.00 0.00 H new ATOM 95 N PRO A 9 16.893 -1.328 -9.671 1.00 0.00 N ATOM 96 CA PRO A 9 18.207 -1.976 -9.735 1.00 0.00 C ATOM 97 C PRO A 9 19.336 -0.995 -9.440 1.00 0.00 C ATOM 98 O PRO A 9 20.473 -1.388 -9.192 1.00 0.00 O ATOM 99 CB PRO A 9 18.291 -2.485 -11.178 1.00 0.00 C ATOM 100 CG PRO A 9 17.326 -1.646 -11.947 1.00 0.00 C ATOM 101 CD PRO A 9 16.236 -1.263 -10.984 1.00 0.00 C ATOM 0 HA PRO A 9 18.313 -2.768 -8.994 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.302 -2.384 -11.573 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.029 -3.541 -11.239 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.817 -0.760 -12.350 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.920 -2.199 -12.794 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.852 -0.264 -11.191 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.390 -1.948 -11.043 1.00 0.00 H new ATOM 109 N TRP A 10 18.993 0.286 -9.440 1.00 0.00 N ATOM 110 CA TRP A 10 19.965 1.348 -9.243 1.00 0.00 C ATOM 111 C TRP A 10 19.921 1.854 -7.801 1.00 0.00 C ATOM 112 O TRP A 10 20.599 2.818 -7.453 1.00 0.00 O ATOM 113 CB TRP A 10 19.665 2.518 -10.187 1.00 0.00 C ATOM 114 CG TRP A 10 19.221 2.118 -11.569 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.177 2.656 -12.266 1.00 0.00 C ATOM 116 CD2 TRP A 10 19.783 1.104 -12.416 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.054 2.046 -13.488 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.024 1.088 -13.604 1.00 0.00 C ATOM 119 CE3 TRP A 10 20.848 0.205 -12.289 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.298 0.215 -14.652 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.116 -0.660 -13.331 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.343 -0.650 -14.499 1.00 0.00 C ATOM 0 H TRP A 10 18.037 0.615 -9.576 1.00 0.00 H new ATOM 0 HA TRP A 10 20.955 0.945 -9.456 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.890 3.139 -9.738 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.559 3.136 -10.273 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.539 3.449 -11.906 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.354 2.270 -14.195 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.449 0.188 -11.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 18.705 0.221 -15.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 21.936 -1.357 -13.244 1.00 0.00 H new ATOM 0 HH2 TRP A 10 20.579 -1.341 -15.295 1.00 0.00 H new ATOM 133 N THR A 11 19.122 1.198 -6.964 1.00 0.00 N ATOM 134 CA THR A 11 18.897 1.672 -5.601 1.00 0.00 C ATOM 135 C THR A 11 20.102 1.385 -4.710 1.00 0.00 C ATOM 136 O THR A 11 20.317 2.053 -3.699 1.00 0.00 O ATOM 137 CB THR A 11 17.632 1.036 -4.978 1.00 0.00 C ATOM 138 OG1 THR A 11 17.239 1.763 -3.808 1.00 0.00 O ATOM 139 CG2 THR A 11 17.865 -0.423 -4.605 1.00 0.00 C ATOM 0 H THR A 11 18.622 0.342 -7.203 1.00 0.00 H new ATOM 0 HA THR A 11 18.750 2.750 -5.663 1.00 0.00 H new ATOM 0 HB THR A 11 16.841 1.080 -5.727 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.437 1.353 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.955 -0.837 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.131 -0.989 -5.498 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.676 -0.488 -3.880 1.00 0.00 H new ATOM 147 N ASN A 12 20.878 0.383 -5.087 1.00 0.00 N ATOM 148 CA ASN A 12 22.061 0.008 -4.331 1.00 0.00 C ATOM 149 C ASN A 12 23.185 -0.326 -5.288 1.00 0.00 C ATOM 150 O ASN A 12 23.000 -1.063 -6.257 1.00 0.00 O ATOM 151 CB ASN A 12 21.744 -1.168 -3.401 1.00 0.00 C ATOM 152 CG ASN A 12 22.867 -1.588 -2.458 1.00 0.00 C ATOM 153 OD1 ASN A 12 24.042 -1.594 -2.809 1.00 0.00 O ATOM 154 ND2 ASN A 12 22.498 -1.949 -1.239 1.00 0.00 N ATOM 0 H ASN A 12 20.709 -0.187 -5.915 1.00 0.00 H new ATOM 0 HA ASN A 12 22.379 0.843 -3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 12 20.870 -0.909 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 12 21.468 -2.027 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 12 23.200 -2.243 -0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 12 21.512 -1.933 -0.979 1.00 0.00 H new ATOM 161 N PRO A 13 24.358 0.230 -5.017 1.00 0.00 N ATOM 162 CA PRO A 13 25.539 0.075 -5.864 1.00 0.00 C ATOM 163 C PRO A 13 25.974 -1.381 -5.973 1.00 0.00 C ATOM 164 O PRO A 13 26.467 -1.818 -7.010 1.00 0.00 O ATOM 165 CB PRO A 13 26.609 0.916 -5.162 1.00 0.00 C ATOM 166 CG PRO A 13 26.106 1.136 -3.772 1.00 0.00 C ATOM 167 CD PRO A 13 24.612 1.053 -3.833 1.00 0.00 C ATOM 0 HA PRO A 13 25.352 0.394 -6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.569 0.400 -5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.762 1.864 -5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.507 0.384 -3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.424 2.108 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.199 0.598 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.160 2.040 -3.927 1.00 0.00 H new ATOM 175 N GLY A 14 25.762 -2.130 -4.897 1.00 0.00 N ATOM 176 CA GLY A 14 26.076 -3.543 -4.896 1.00 0.00 C ATOM 177 C GLY A 14 25.095 -4.331 -5.732 1.00 0.00 C ATOM 178 O GLY A 14 25.451 -5.328 -6.359 1.00 0.00 O ATOM 0 H GLY A 14 25.376 -1.779 -4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.085 -3.692 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.066 -3.918 -3.873 1.00 0.00 H new ATOM 182 N LEU A 15 23.857 -3.862 -5.755 1.00 0.00 N ATOM 183 CA LEU A 15 22.803 -4.516 -6.513 1.00 0.00 C ATOM 184 C LEU A 15 23.101 -4.373 -7.999 1.00 0.00 C ATOM 185 O LEU A 15 23.225 -5.364 -8.714 1.00 0.00 O ATOM 186 CB LEU A 15 21.448 -3.881 -6.161 1.00 0.00 C ATOM 187 CG LEU A 15 20.182 -4.686 -6.500 1.00 0.00 C ATOM 188 CD1 LEU A 15 19.986 -4.857 -7.999 1.00 0.00 C ATOM 189 CD2 LEU A 15 20.203 -6.038 -5.804 1.00 0.00 C ATOM 0 H LEU A 15 23.557 -3.026 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 15 22.759 -5.576 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.440 -3.675 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.383 -2.920 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 15 19.332 -4.112 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.079 -5.432 -8.184 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.897 -3.877 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.842 -5.384 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.299 -6.592 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 15 21.077 -6.602 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.248 -5.891 -4.725 1.00 0.00 H new ATOM 201 N ALA A 16 23.225 -3.126 -8.439 1.00 0.00 N ATOM 202 CA ALA A 16 23.584 -2.814 -9.822 1.00 0.00 C ATOM 203 C ALA A 16 24.874 -3.519 -10.246 1.00 0.00 C ATOM 204 O ALA A 16 24.982 -4.000 -11.373 1.00 0.00 O ATOM 205 CB ALA A 16 23.728 -1.311 -9.998 1.00 0.00 C ATOM 0 H ALA A 16 23.081 -2.304 -7.852 1.00 0.00 H new ATOM 0 HA ALA A 16 22.781 -3.179 -10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.995 -1.090 -11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 16 22.783 -0.824 -9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.509 -0.940 -9.334 1.00 0.00 H new ATOM 211 N GLU A 17 25.844 -3.583 -9.336 1.00 0.00 N ATOM 212 CA GLU A 17 27.110 -4.263 -9.602 1.00 0.00 C ATOM 213 C GLU A 17 26.861 -5.722 -9.986 1.00 0.00 C ATOM 214 O GLU A 17 27.395 -6.217 -10.981 1.00 0.00 O ATOM 215 CB GLU A 17 28.013 -4.196 -8.368 1.00 0.00 C ATOM 216 CG GLU A 17 29.432 -4.680 -8.615 1.00 0.00 C ATOM 217 CD GLU A 17 30.267 -4.698 -7.351 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.587 -3.614 -6.821 1.00 0.00 O ATOM 219 OE2 GLU A 17 30.609 -5.799 -6.877 1.00 0.00 O ATOM 0 H GLU A 17 25.777 -3.171 -8.405 1.00 0.00 H new ATOM 0 HA GLU A 17 27.605 -3.761 -10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.048 -3.167 -8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.569 -4.794 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.401 -5.683 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 17 29.909 -4.035 -9.353 1.00 0.00 H new ATOM 226 N ASN A 18 26.032 -6.399 -9.199 1.00 0.00 N ATOM 227 CA ASN A 18 25.688 -7.790 -9.455 1.00 0.00 C ATOM 228 C ASN A 18 24.732 -7.905 -10.638 1.00 0.00 C ATOM 229 O ASN A 18 24.715 -8.919 -11.340 1.00 0.00 O ATOM 230 CB ASN A 18 25.058 -8.417 -8.210 1.00 0.00 C ATOM 231 CG ASN A 18 26.075 -8.780 -7.146 1.00 0.00 C ATOM 232 OD1 ASN A 18 26.607 -9.889 -7.133 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.349 -7.854 -6.242 1.00 0.00 N ATOM 0 H ASN A 18 25.584 -6.002 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 18 26.604 -8.327 -9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.332 -7.722 -7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.509 -9.313 -8.500 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.022 -8.048 -5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.887 -6.946 -6.286 1.00 0.00 H new ATOM 240 N PHE A 19 23.938 -6.860 -10.847 1.00 0.00 N ATOM 241 CA PHE A 19 22.987 -6.815 -11.951 1.00 0.00 C ATOM 242 C PHE A 19 23.734 -6.843 -13.278 1.00 0.00 C ATOM 243 O PHE A 19 23.510 -7.726 -14.101 1.00 0.00 O ATOM 244 CB PHE A 19 22.117 -5.554 -11.856 1.00 0.00 C ATOM 245 CG PHE A 19 20.903 -5.575 -12.746 1.00 0.00 C ATOM 246 CD1 PHE A 19 19.755 -6.243 -12.351 1.00 0.00 C ATOM 247 CD2 PHE A 19 20.905 -4.921 -13.971 1.00 0.00 C ATOM 248 CE1 PHE A 19 18.636 -6.262 -13.159 1.00 0.00 C ATOM 249 CE2 PHE A 19 19.783 -4.936 -14.782 1.00 0.00 C ATOM 250 CZ PHE A 19 18.649 -5.608 -14.373 1.00 0.00 C ATOM 0 H PHE A 19 23.935 -6.026 -10.260 1.00 0.00 H new ATOM 0 HA PHE A 19 22.336 -7.687 -11.892 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.794 -5.425 -10.823 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.725 -4.686 -12.110 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.736 -6.755 -11.400 1.00 0.00 H new ATOM 0 HD2 PHE A 19 21.791 -4.395 -14.294 1.00 0.00 H new ATOM 0 HE1 PHE A 19 17.749 -6.790 -12.840 1.00 0.00 H new ATOM 0 HE2 PHE A 19 19.795 -4.423 -15.732 1.00 0.00 H new ATOM 0 HZ PHE A 19 17.772 -5.622 -15.003 1.00 0.00 H new ATOM 260 N MET A 20 24.638 -5.886 -13.467 1.00 0.00 N ATOM 261 CA MET A 20 25.461 -5.827 -14.671 1.00 0.00 C ATOM 262 C MET A 20 26.315 -7.078 -14.819 1.00 0.00 C ATOM 263 O MET A 20 26.563 -7.538 -15.933 1.00 0.00 O ATOM 264 CB MET A 20 26.360 -4.591 -14.655 1.00 0.00 C ATOM 265 CG MET A 20 25.733 -3.361 -15.287 1.00 0.00 C ATOM 266 SD MET A 20 24.237 -2.808 -14.450 1.00 0.00 S ATOM 267 CE MET A 20 23.769 -1.436 -15.503 1.00 0.00 C ATOM 0 H MET A 20 24.820 -5.137 -12.798 1.00 0.00 H new ATOM 0 HA MET A 20 24.785 -5.765 -15.524 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.625 -4.361 -13.623 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.288 -4.823 -15.178 1.00 0.00 H new ATOM 0 HG2 MET A 20 26.461 -2.550 -15.286 1.00 0.00 H new ATOM 0 HG3 MET A 20 25.498 -3.577 -16.329 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.696 -1.472 -15.692 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.019 -0.497 -15.010 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.306 -1.504 -16.449 1.00 0.00 H new ATOM 277 N ASN A 21 26.764 -7.621 -13.692 1.00 0.00 N ATOM 278 CA ASN A 21 27.529 -8.859 -13.690 1.00 0.00 C ATOM 279 C ASN A 21 26.727 -9.978 -14.341 1.00 0.00 C ATOM 280 O ASN A 21 27.140 -10.545 -15.354 1.00 0.00 O ATOM 281 CB ASN A 21 27.895 -9.247 -12.258 1.00 0.00 C ATOM 282 CG ASN A 21 29.355 -9.011 -11.938 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.193 -9.887 -12.144 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.669 -7.832 -11.424 1.00 0.00 N ATOM 0 H ASN A 21 26.610 -7.220 -12.767 1.00 0.00 H new ATOM 0 HA ASN A 21 28.444 -8.704 -14.262 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.279 -8.675 -11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 21 27.659 -10.300 -12.101 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.638 -7.622 -11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 21 28.942 -7.133 -11.269 1.00 0.00 H new ATOM 291 N SER A 22 25.565 -10.264 -13.769 1.00 0.00 N ATOM 292 CA SER A 22 24.690 -11.299 -14.273 1.00 0.00 C ATOM 293 C SER A 22 24.214 -10.967 -15.688 1.00 0.00 C ATOM 294 O SER A 22 24.068 -11.854 -16.533 1.00 0.00 O ATOM 295 CB SER A 22 23.505 -11.432 -13.326 1.00 0.00 C ATOM 296 OG SER A 22 23.941 -11.542 -11.980 1.00 0.00 O ATOM 0 H SER A 22 25.208 -9.782 -12.944 1.00 0.00 H new ATOM 0 HA SER A 22 25.231 -12.244 -14.324 1.00 0.00 H new ATOM 0 HB2 SER A 22 22.852 -10.566 -13.431 1.00 0.00 H new ATOM 0 HB3 SER A 22 22.917 -12.309 -13.595 1.00 0.00 H new ATOM 0 HG SER A 22 24.102 -10.647 -11.614 1.00 0.00 H new ATOM 302 N PHE A 23 23.985 -9.682 -15.931 1.00 0.00 N ATOM 303 CA PHE A 23 23.558 -9.190 -17.234 1.00 0.00 C ATOM 304 C PHE A 23 24.547 -9.591 -18.323 1.00 0.00 C ATOM 305 O PHE A 23 24.171 -10.214 -19.315 1.00 0.00 O ATOM 306 CB PHE A 23 23.414 -7.667 -17.188 1.00 0.00 C ATOM 307 CG PHE A 23 23.057 -7.038 -18.506 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.790 -7.195 -19.047 1.00 0.00 C ATOM 309 CD2 PHE A 23 23.991 -6.286 -19.205 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.461 -6.613 -20.257 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.667 -5.702 -20.415 1.00 0.00 C ATOM 312 CZ PHE A 23 22.401 -5.866 -20.942 1.00 0.00 C ATOM 0 H PHE A 23 24.091 -8.951 -15.228 1.00 0.00 H new ATOM 0 HA PHE A 23 22.594 -9.639 -17.473 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.649 -7.408 -16.456 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.351 -7.236 -16.835 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.052 -7.779 -18.517 1.00 0.00 H new ATOM 0 HD2 PHE A 23 24.983 -6.156 -18.798 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.470 -6.742 -20.667 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.403 -5.118 -20.948 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.146 -5.411 -21.888 1.00 0.00 H new ATOM 322 N MET A 24 25.814 -9.248 -18.122 1.00 0.00 N ATOM 323 CA MET A 24 26.847 -9.520 -19.113 1.00 0.00 C ATOM 324 C MET A 24 27.057 -11.018 -19.297 1.00 0.00 C ATOM 325 O MET A 24 27.311 -11.481 -20.410 1.00 0.00 O ATOM 326 CB MET A 24 28.164 -8.841 -18.724 1.00 0.00 C ATOM 327 CG MET A 24 28.125 -7.319 -18.798 1.00 0.00 C ATOM 328 SD MET A 24 28.529 -6.652 -20.430 1.00 0.00 S ATOM 329 CE MET A 24 27.162 -7.212 -21.442 1.00 0.00 C ATOM 0 H MET A 24 26.151 -8.780 -17.280 1.00 0.00 H new ATOM 0 HA MET A 24 26.510 -9.107 -20.064 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.428 -9.138 -17.709 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.956 -9.206 -19.379 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.130 -6.977 -18.513 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.824 -6.912 -18.067 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.054 -6.554 -22.304 1.00 0.00 H new ATOM 0 HE2 MET A 24 27.355 -8.229 -21.784 1.00 0.00 H new ATOM 0 HE3 MET A 24 26.244 -7.195 -20.855 1.00 0.00 H new ATOM 339 N GLN A 25 26.937 -11.778 -18.209 1.00 0.00 N ATOM 340 CA GLN A 25 27.065 -13.230 -18.279 1.00 0.00 C ATOM 341 C GLN A 25 26.036 -13.817 -19.239 1.00 0.00 C ATOM 342 O GLN A 25 26.377 -14.587 -20.141 1.00 0.00 O ATOM 343 CB GLN A 25 26.890 -13.855 -16.895 1.00 0.00 C ATOM 344 CG GLN A 25 27.991 -13.494 -15.911 1.00 0.00 C ATOM 345 CD GLN A 25 29.362 -13.970 -16.354 1.00 0.00 C ATOM 346 OE1 GLN A 25 29.491 -14.965 -17.073 1.00 0.00 O ATOM 347 NE2 GLN A 25 30.397 -13.274 -15.917 1.00 0.00 N ATOM 0 H GLN A 25 26.752 -11.413 -17.274 1.00 0.00 H new ATOM 0 HA GLN A 25 28.065 -13.459 -18.648 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.931 -13.540 -16.484 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.851 -14.939 -16.999 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.013 -12.412 -15.780 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.758 -13.928 -14.939 1.00 0.00 H new ATOM 0 HE21 GLN A 25 30.249 -12.457 -15.324 1.00 0.00 H new ATOM 0 HE22 GLN A 25 31.344 -13.554 -16.172 1.00 0.00 H new ATOM 356 N GLY A 26 24.779 -13.435 -19.049 1.00 0.00 N ATOM 357 CA GLY A 26 23.717 -13.926 -19.904 1.00 0.00 C ATOM 358 C GLY A 26 23.787 -13.339 -21.296 1.00 0.00 C ATOM 359 O GLY A 26 23.532 -14.030 -22.278 1.00 0.00 O ATOM 0 H GLY A 26 24.477 -12.793 -18.317 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.776 -15.013 -19.966 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.752 -13.684 -19.458 1.00 0.00 H new ATOM 363 N LEU A 27 24.148 -12.064 -21.374 1.00 0.00 N ATOM 364 CA LEU A 27 24.262 -11.359 -22.648 1.00 0.00 C ATOM 365 C LEU A 27 25.274 -12.060 -23.557 1.00 0.00 C ATOM 366 O LEU A 27 25.044 -12.220 -24.754 1.00 0.00 O ATOM 367 CB LEU A 27 24.692 -9.908 -22.396 1.00 0.00 C ATOM 368 CG LEU A 27 24.041 -8.839 -23.287 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.377 -9.063 -24.749 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.534 -8.822 -23.090 1.00 0.00 C ATOM 0 H LEU A 27 24.370 -11.490 -20.560 1.00 0.00 H new ATOM 0 HA LEU A 27 23.292 -11.365 -23.145 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.477 -9.663 -21.356 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.773 -9.845 -22.521 1.00 0.00 H new ATOM 0 HG LEU A 27 24.444 -7.870 -22.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.902 -8.291 -25.354 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.457 -9.017 -24.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 24.013 -10.042 -25.060 1.00 0.00 H new ATOM 0 HD21 LEU A 27 22.092 -8.058 -23.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 22.122 -9.797 -23.351 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.306 -8.599 -22.048 1.00 0.00 H new ATOM 382 N SER A 28 26.383 -12.500 -22.970 1.00 0.00 N ATOM 383 CA SER A 28 27.417 -13.207 -23.709 1.00 0.00 C ATOM 384 C SER A 28 26.916 -14.568 -24.199 1.00 0.00 C ATOM 385 O SER A 28 27.487 -15.161 -25.115 1.00 0.00 O ATOM 386 CB SER A 28 28.644 -13.385 -22.817 1.00 0.00 C ATOM 387 OG SER A 28 29.096 -12.137 -22.318 1.00 0.00 O ATOM 0 H SER A 28 26.587 -12.377 -21.978 1.00 0.00 H new ATOM 0 HA SER A 28 27.684 -12.617 -24.586 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.400 -14.046 -21.985 1.00 0.00 H new ATOM 0 HB3 SER A 28 29.443 -13.865 -23.383 1.00 0.00 H new ATOM 0 HG SER A 28 28.473 -11.813 -21.635 1.00 0.00 H new ATOM 393 N SER A 29 25.832 -15.046 -23.599 1.00 0.00 N ATOM 394 CA SER A 29 25.271 -16.342 -23.943 1.00 0.00 C ATOM 395 C SER A 29 24.126 -16.181 -24.941 1.00 0.00 C ATOM 396 O SER A 29 23.486 -17.155 -25.334 1.00 0.00 O ATOM 397 CB SER A 29 24.771 -17.036 -22.677 1.00 0.00 C ATOM 398 OG SER A 29 25.786 -17.073 -21.683 1.00 0.00 O ATOM 0 H SER A 29 25.323 -14.550 -22.867 1.00 0.00 H new ATOM 0 HA SER A 29 26.047 -16.952 -24.406 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.897 -16.511 -22.291 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.453 -18.051 -22.916 1.00 0.00 H new ATOM 0 HG SER A 29 25.856 -16.194 -21.255 1.00 0.00 H new ATOM 404 N MET A 30 23.875 -14.942 -25.345 1.00 0.00 N ATOM 405 CA MET A 30 22.786 -14.639 -26.259 1.00 0.00 C ATOM 406 C MET A 30 23.264 -14.668 -27.704 1.00 0.00 C ATOM 407 O MET A 30 24.201 -13.951 -28.074 1.00 0.00 O ATOM 408 CB MET A 30 22.193 -13.266 -25.942 1.00 0.00 C ATOM 409 CG MET A 30 21.603 -13.155 -24.545 1.00 0.00 C ATOM 410 SD MET A 30 20.151 -14.198 -24.296 1.00 0.00 S ATOM 411 CE MET A 30 19.746 -13.796 -22.597 1.00 0.00 C ATOM 0 H MET A 30 24.415 -14.128 -25.051 1.00 0.00 H new ATOM 0 HA MET A 30 22.018 -15.402 -26.130 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.970 -12.510 -26.058 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.416 -13.040 -26.672 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.365 -13.425 -23.814 1.00 0.00 H new ATOM 0 HG3 MET A 30 21.332 -12.116 -24.354 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.846 -14.334 -22.300 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.572 -14.086 -21.948 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.573 -12.723 -22.508 1.00 0.00 H new ATOM 421 N PRO A 31 22.641 -15.511 -28.534 1.00 0.00 N ATOM 422 CA PRO A 31 22.949 -15.582 -29.959 1.00 0.00 C ATOM 423 C PRO A 31 22.380 -14.390 -30.725 1.00 0.00 C ATOM 424 O PRO A 31 21.162 -14.261 -30.893 1.00 0.00 O ATOM 425 CB PRO A 31 22.283 -16.882 -30.404 1.00 0.00 C ATOM 426 CG PRO A 31 21.163 -17.093 -29.440 1.00 0.00 C ATOM 427 CD PRO A 31 21.594 -16.471 -28.138 1.00 0.00 C ATOM 0 HA PRO A 31 24.022 -15.559 -30.152 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.914 -16.806 -31.427 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.987 -17.714 -30.380 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.245 -16.632 -29.805 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.957 -18.156 -29.312 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.763 -15.973 -27.639 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.979 -17.220 -27.446 1.00 0.00 H new ATOM 435 N GLY A 32 23.265 -13.523 -31.182 1.00 0.00 N ATOM 436 CA GLY A 32 22.844 -12.336 -31.891 1.00 0.00 C ATOM 437 C GLY A 32 23.881 -11.236 -31.833 1.00 0.00 C ATOM 438 O GLY A 32 24.096 -10.525 -32.816 1.00 0.00 O ATOM 0 H GLY A 32 24.275 -13.621 -31.074 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.643 -12.589 -32.932 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.908 -11.973 -31.465 1.00 0.00 H new ATOM 442 N PHE A 33 24.525 -11.092 -30.682 1.00 0.00 N ATOM 443 CA PHE A 33 25.561 -10.082 -30.510 1.00 0.00 C ATOM 444 C PHE A 33 26.926 -10.624 -30.921 1.00 0.00 C ATOM 445 O PHE A 33 27.053 -11.767 -31.358 1.00 0.00 O ATOM 446 CB PHE A 33 25.622 -9.596 -29.057 1.00 0.00 C ATOM 447 CG PHE A 33 24.538 -8.626 -28.670 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.669 -7.269 -28.944 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.400 -9.062 -28.015 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.688 -6.374 -28.569 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.413 -8.169 -27.641 1.00 0.00 C ATOM 452 CZ PHE A 33 22.558 -6.825 -27.919 1.00 0.00 C ATOM 0 H PHE A 33 24.348 -11.661 -29.854 1.00 0.00 H new ATOM 0 HA PHE A 33 25.304 -9.241 -31.154 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.568 -10.461 -28.397 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.590 -9.125 -28.887 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.550 -6.911 -29.457 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.281 -10.112 -27.793 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.805 -5.322 -28.784 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.529 -8.523 -27.132 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.787 -6.127 -27.628 1.00 0.00 H new ATOM 462 N THR A 34 27.940 -9.787 -30.773 1.00 0.00 N ATOM 463 CA THR A 34 29.311 -10.166 -31.063 1.00 0.00 C ATOM 464 C THR A 34 30.228 -9.605 -29.980 1.00 0.00 C ATOM 465 O THR A 34 29.819 -8.721 -29.222 1.00 0.00 O ATOM 466 CB THR A 34 29.759 -9.661 -32.457 1.00 0.00 C ATOM 467 OG1 THR A 34 31.122 -10.024 -32.713 1.00 0.00 O ATOM 468 CG2 THR A 34 29.610 -8.151 -32.564 1.00 0.00 C ATOM 0 H THR A 34 27.835 -8.826 -30.448 1.00 0.00 H new ATOM 0 HA THR A 34 29.373 -11.254 -31.074 1.00 0.00 H new ATOM 0 HB THR A 34 29.116 -10.133 -33.200 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.387 -9.698 -33.599 1.00 0.00 H new ATOM 0 HG21 THR A 34 29.931 -7.823 -33.552 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.566 -7.877 -32.412 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.226 -7.670 -31.804 1.00 0.00 H new ATOM 476 N ALA A 35 31.454 -10.114 -29.916 1.00 0.00 N ATOM 477 CA ALA A 35 32.418 -9.713 -28.894 1.00 0.00 C ATOM 478 C ALA A 35 32.614 -8.200 -28.867 1.00 0.00 C ATOM 479 O ALA A 35 32.674 -7.599 -27.797 1.00 0.00 O ATOM 480 CB ALA A 35 33.750 -10.413 -29.122 1.00 0.00 C ATOM 0 H ALA A 35 31.808 -10.814 -30.568 1.00 0.00 H new ATOM 0 HA ALA A 35 32.018 -10.012 -27.925 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.459 -10.105 -28.353 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.607 -11.492 -29.072 1.00 0.00 H new ATOM 0 HB3 ALA A 35 34.139 -10.143 -30.104 1.00 0.00 H new ATOM 486 N SER A 36 32.692 -7.590 -30.045 1.00 0.00 N ATOM 487 CA SER A 36 32.888 -6.147 -30.147 1.00 0.00 C ATOM 488 C SER A 36 31.746 -5.394 -29.466 1.00 0.00 C ATOM 489 O SER A 36 31.975 -4.437 -28.729 1.00 0.00 O ATOM 490 CB SER A 36 33.000 -5.727 -31.617 1.00 0.00 C ATOM 491 OG SER A 36 33.269 -4.339 -31.742 1.00 0.00 O ATOM 0 H SER A 36 32.623 -8.071 -30.942 1.00 0.00 H new ATOM 0 HA SER A 36 33.817 -5.892 -29.637 1.00 0.00 H new ATOM 0 HB2 SER A 36 33.793 -6.297 -32.100 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.073 -5.967 -32.137 1.00 0.00 H new ATOM 0 HG SER A 36 33.336 -4.103 -32.691 1.00 0.00 H new ATOM 497 N GLN A 37 30.520 -5.848 -29.692 1.00 0.00 N ATOM 498 CA GLN A 37 29.351 -5.196 -29.116 1.00 0.00 C ATOM 499 C GLN A 37 29.259 -5.459 -27.615 1.00 0.00 C ATOM 500 O GLN A 37 28.766 -4.622 -26.863 1.00 0.00 O ATOM 501 CB GLN A 37 28.074 -5.648 -29.830 1.00 0.00 C ATOM 502 CG GLN A 37 27.626 -4.687 -30.925 1.00 0.00 C ATOM 503 CD GLN A 37 28.686 -4.456 -31.989 1.00 0.00 C ATOM 504 OE1 GLN A 37 29.560 -3.607 -31.833 1.00 0.00 O ATOM 505 NE2 GLN A 37 28.589 -5.174 -33.095 1.00 0.00 N ATOM 0 H GLN A 37 30.309 -6.663 -30.268 1.00 0.00 H new ATOM 0 HA GLN A 37 29.459 -4.121 -29.259 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.238 -6.634 -30.266 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.274 -5.753 -29.098 1.00 0.00 H new ATOM 0 HG2 GLN A 37 26.725 -5.079 -31.398 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.359 -3.731 -30.474 1.00 0.00 H new ATOM 0 HE21 GLN A 37 27.849 -5.870 -33.188 1.00 0.00 H new ATOM 0 HE22 GLN A 37 29.254 -5.032 -33.855 1.00 0.00 H new ATOM 514 N LEU A 38 29.749 -6.614 -27.186 1.00 0.00 N ATOM 515 CA LEU A 38 29.791 -6.942 -25.764 1.00 0.00 C ATOM 516 C LEU A 38 30.803 -6.056 -25.046 1.00 0.00 C ATOM 517 O LEU A 38 30.552 -5.580 -23.938 1.00 0.00 O ATOM 518 CB LEU A 38 30.150 -8.418 -25.562 1.00 0.00 C ATOM 519 CG LEU A 38 29.158 -9.418 -26.154 1.00 0.00 C ATOM 520 CD1 LEU A 38 29.658 -10.841 -25.962 1.00 0.00 C ATOM 521 CD2 LEU A 38 27.786 -9.249 -25.521 1.00 0.00 C ATOM 0 H LEU A 38 30.122 -7.339 -27.799 1.00 0.00 H new ATOM 0 HA LEU A 38 28.802 -6.763 -25.342 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.130 -8.600 -26.002 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.240 -8.610 -24.493 1.00 0.00 H new ATOM 0 HG LEU A 38 29.071 -9.222 -27.223 1.00 0.00 H new ATOM 0 HD11 LEU A 38 28.939 -11.540 -26.390 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.620 -10.959 -26.461 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.774 -11.045 -24.898 1.00 0.00 H new ATOM 0 HD21 LEU A 38 27.093 -9.970 -25.956 1.00 0.00 H new ATOM 0 HD22 LEU A 38 27.858 -9.417 -24.446 1.00 0.00 H new ATOM 0 HD23 LEU A 38 27.422 -8.239 -25.707 1.00 0.00 H new ATOM 533 N ASP A 39 31.940 -5.830 -25.701 1.00 0.00 N ATOM 534 CA ASP A 39 33.014 -5.009 -25.143 1.00 0.00 C ATOM 535 C ASP A 39 32.526 -3.600 -24.825 1.00 0.00 C ATOM 536 O ASP A 39 32.716 -3.106 -23.710 1.00 0.00 O ATOM 537 CB ASP A 39 34.189 -4.942 -26.116 1.00 0.00 C ATOM 538 CG ASP A 39 35.343 -4.117 -25.579 1.00 0.00 C ATOM 539 OD1 ASP A 39 36.177 -4.670 -24.831 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.431 -2.917 -25.908 1.00 0.00 O ATOM 0 H ASP A 39 32.143 -6.207 -26.627 1.00 0.00 H new ATOM 0 HA ASP A 39 33.341 -5.475 -24.214 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.538 -5.952 -26.329 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.850 -4.516 -27.060 1.00 0.00 H new ATOM 545 N ASP A 40 31.887 -2.964 -25.802 1.00 0.00 N ATOM 546 CA ASP A 40 31.376 -1.613 -25.634 1.00 0.00 C ATOM 547 C ASP A 40 30.289 -1.578 -24.574 1.00 0.00 C ATOM 548 O ASP A 40 30.287 -0.714 -23.696 1.00 0.00 O ATOM 549 CB ASP A 40 30.811 -1.085 -26.951 1.00 0.00 C ATOM 550 CG ASP A 40 31.880 -0.785 -27.982 1.00 0.00 C ATOM 551 OD1 ASP A 40 32.724 0.103 -27.731 1.00 0.00 O ATOM 552 OD2 ASP A 40 31.867 -1.419 -29.055 1.00 0.00 O ATOM 0 H ASP A 40 31.711 -3.368 -26.722 1.00 0.00 H new ATOM 0 HA ASP A 40 32.205 -0.980 -25.318 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.116 -1.818 -27.361 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.239 -0.178 -26.756 1.00 0.00 H new ATOM 557 N MET A 41 29.371 -2.533 -24.661 1.00 0.00 N ATOM 558 CA MET A 41 28.240 -2.606 -23.754 1.00 0.00 C ATOM 559 C MET A 41 28.702 -2.708 -22.305 1.00 0.00 C ATOM 560 O MET A 41 28.156 -2.044 -21.425 1.00 0.00 O ATOM 561 CB MET A 41 27.365 -3.802 -24.124 1.00 0.00 C ATOM 562 CG MET A 41 26.073 -3.872 -23.338 1.00 0.00 C ATOM 563 SD MET A 41 24.924 -5.100 -23.986 1.00 0.00 S ATOM 564 CE MET A 41 24.583 -4.421 -25.611 1.00 0.00 C ATOM 0 H MET A 41 29.392 -3.275 -25.361 1.00 0.00 H new ATOM 0 HA MET A 41 27.657 -1.690 -23.850 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.132 -3.756 -25.188 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.930 -4.720 -23.961 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.299 -4.106 -22.298 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.594 -2.893 -23.348 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.602 -4.758 -25.948 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.595 -3.332 -25.560 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.344 -4.760 -26.314 1.00 0.00 H new ATOM 574 N SER A 42 29.724 -3.519 -22.072 1.00 0.00 N ATOM 575 CA SER A 42 30.274 -3.692 -20.734 1.00 0.00 C ATOM 576 C SER A 42 30.829 -2.371 -20.212 1.00 0.00 C ATOM 577 O SER A 42 30.547 -1.967 -19.082 1.00 0.00 O ATOM 578 CB SER A 42 31.371 -4.760 -20.746 1.00 0.00 C ATOM 579 OG SER A 42 31.833 -5.043 -19.436 1.00 0.00 O ATOM 0 H SER A 42 30.190 -4.069 -22.793 1.00 0.00 H new ATOM 0 HA SER A 42 29.474 -4.019 -20.070 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.988 -5.672 -21.203 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.204 -4.421 -21.362 1.00 0.00 H new ATOM 0 HG SER A 42 32.531 -5.729 -19.477 1.00 0.00 H new ATOM 585 N THR A 43 31.592 -1.688 -21.053 1.00 0.00 N ATOM 586 CA THR A 43 32.212 -0.425 -20.682 1.00 0.00 C ATOM 587 C THR A 43 31.157 0.645 -20.388 1.00 0.00 C ATOM 588 O THR A 43 31.284 1.410 -19.428 1.00 0.00 O ATOM 589 CB THR A 43 33.158 0.060 -21.796 1.00 0.00 C ATOM 590 OG1 THR A 43 34.130 -0.957 -22.073 1.00 0.00 O ATOM 591 CG2 THR A 43 33.867 1.347 -21.397 1.00 0.00 C ATOM 0 H THR A 43 31.798 -1.991 -22.005 1.00 0.00 H new ATOM 0 HA THR A 43 32.790 -0.593 -19.774 1.00 0.00 H new ATOM 0 HB THR A 43 32.563 0.261 -22.687 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.719 -1.664 -22.612 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.528 1.664 -22.204 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.128 2.125 -21.206 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.454 1.175 -20.495 1.00 0.00 H new ATOM 599 N ILE A 44 30.109 0.685 -21.204 1.00 0.00 N ATOM 600 CA ILE A 44 29.018 1.629 -20.990 1.00 0.00 C ATOM 601 C ILE A 44 28.274 1.292 -19.708 1.00 0.00 C ATOM 602 O ILE A 44 27.906 2.176 -18.935 1.00 0.00 O ATOM 603 CB ILE A 44 28.022 1.642 -22.166 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.732 2.020 -23.469 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.886 2.610 -21.879 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.457 3.348 -23.409 1.00 0.00 C ATOM 0 H ILE A 44 29.992 0.078 -22.015 1.00 0.00 H new ATOM 0 HA ILE A 44 29.465 2.620 -20.913 1.00 0.00 H new ATOM 0 HB ILE A 44 27.607 0.641 -22.282 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.448 1.238 -23.722 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.999 2.054 -24.275 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.188 2.611 -22.717 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.365 2.301 -20.973 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.289 3.613 -21.741 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.934 3.546 -24.369 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.744 4.142 -23.188 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.215 3.314 -22.627 1.00 0.00 H new ATOM 618 N ALA A 45 28.079 0.004 -19.481 1.00 0.00 N ATOM 619 CA ALA A 45 27.448 -0.473 -18.259 1.00 0.00 C ATOM 620 C ALA A 45 28.232 -0.008 -17.035 1.00 0.00 C ATOM 621 O ALA A 45 27.648 0.333 -16.007 1.00 0.00 O ATOM 622 CB ALA A 45 27.336 -1.989 -18.281 1.00 0.00 C ATOM 0 H ALA A 45 28.350 -0.735 -20.130 1.00 0.00 H new ATOM 0 HA ALA A 45 26.444 -0.054 -18.199 1.00 0.00 H new ATOM 0 HB1 ALA A 45 26.862 -2.332 -17.361 1.00 0.00 H new ATOM 0 HB2 ALA A 45 26.734 -2.297 -19.136 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.331 -2.426 -18.362 1.00 0.00 H new ATOM 628 N GLN A 46 29.557 0.022 -17.163 1.00 0.00 N ATOM 629 CA GLN A 46 30.419 0.489 -16.083 1.00 0.00 C ATOM 630 C GLN A 46 30.162 1.963 -15.787 1.00 0.00 C ATOM 631 O GLN A 46 30.218 2.388 -14.635 1.00 0.00 O ATOM 632 CB GLN A 46 31.900 0.294 -16.425 1.00 0.00 C ATOM 633 CG GLN A 46 32.318 -1.152 -16.655 1.00 0.00 C ATOM 634 CD GLN A 46 31.742 -2.106 -15.629 1.00 0.00 C ATOM 635 OE1 GLN A 46 32.298 -2.289 -14.548 1.00 0.00 O ATOM 636 NE2 GLN A 46 30.639 -2.746 -15.980 1.00 0.00 N ATOM 0 H GLN A 46 30.055 -0.271 -18.003 1.00 0.00 H new ATOM 0 HA GLN A 46 30.182 -0.106 -15.201 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.130 0.871 -17.321 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.503 0.707 -15.616 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.000 -1.462 -17.650 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.406 -1.218 -16.633 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.210 -2.564 -16.887 1.00 0.00 H new ATOM 0 HE22 GLN A 46 30.217 -3.422 -15.343 1.00 0.00 H new ATOM 645 N SER A 47 29.860 2.731 -16.830 1.00 0.00 N ATOM 646 CA SER A 47 29.624 4.162 -16.684 1.00 0.00 C ATOM 647 C SER A 47 28.453 4.407 -15.737 1.00 0.00 C ATOM 648 O SER A 47 28.493 5.309 -14.895 1.00 0.00 O ATOM 649 CB SER A 47 29.351 4.789 -18.054 1.00 0.00 C ATOM 650 OG SER A 47 29.281 6.202 -17.975 1.00 0.00 O ATOM 0 H SER A 47 29.773 2.385 -17.786 1.00 0.00 H new ATOM 0 HA SER A 47 30.513 4.629 -16.260 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.139 4.501 -18.750 1.00 0.00 H new ATOM 0 HB3 SER A 47 28.415 4.399 -18.453 1.00 0.00 H new ATOM 0 HG SER A 47 29.107 6.571 -18.866 1.00 0.00 H new ATOM 656 N MET A 48 27.424 3.576 -15.855 1.00 0.00 N ATOM 657 CA MET A 48 26.273 3.668 -14.977 1.00 0.00 C ATOM 658 C MET A 48 26.642 3.253 -13.560 1.00 0.00 C ATOM 659 O MET A 48 26.314 3.951 -12.603 1.00 0.00 O ATOM 660 CB MET A 48 25.126 2.804 -15.498 1.00 0.00 C ATOM 661 CG MET A 48 24.046 2.565 -14.457 1.00 0.00 C ATOM 662 SD MET A 48 22.596 1.735 -15.119 1.00 0.00 S ATOM 663 CE MET A 48 21.859 3.050 -16.076 1.00 0.00 C ATOM 0 H MET A 48 27.367 2.833 -16.551 1.00 0.00 H new ATOM 0 HA MET A 48 25.944 4.707 -14.959 1.00 0.00 H new ATOM 0 HB2 MET A 48 24.683 3.285 -16.370 1.00 0.00 H new ATOM 0 HB3 MET A 48 25.522 1.844 -15.830 1.00 0.00 H new ATOM 0 HG2 MET A 48 24.459 1.967 -13.645 1.00 0.00 H new ATOM 0 HG3 MET A 48 23.745 3.521 -14.029 1.00 0.00 H new ATOM 0 HE1 MET A 48 20.792 2.862 -16.191 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.006 4.000 -15.563 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.328 3.092 -17.059 1.00 0.00 H new ATOM 673 N VAL A 49 27.330 2.123 -13.430 1.00 0.00 N ATOM 674 CA VAL A 49 27.748 1.630 -12.124 1.00 0.00 C ATOM 675 C VAL A 49 28.584 2.681 -11.399 1.00 0.00 C ATOM 676 O VAL A 49 28.361 2.959 -10.221 1.00 0.00 O ATOM 677 CB VAL A 49 28.549 0.313 -12.237 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.043 -0.144 -10.870 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.702 -0.772 -12.884 1.00 0.00 C ATOM 0 H VAL A 49 27.609 1.532 -14.213 1.00 0.00 H new ATOM 0 HA VAL A 49 26.844 1.427 -11.550 1.00 0.00 H new ATOM 0 HB VAL A 49 29.418 0.500 -12.868 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.604 -1.073 -10.977 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.689 0.622 -10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.190 -0.309 -10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.282 -1.692 -12.956 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.813 -0.949 -12.278 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.403 -0.453 -13.882 1.00 0.00 H new ATOM 689 N GLN A 50 29.522 3.286 -12.121 1.00 0.00 N ATOM 690 CA GLN A 50 30.361 4.342 -11.563 1.00 0.00 C ATOM 691 C GLN A 50 29.520 5.534 -11.112 1.00 0.00 C ATOM 692 O GLN A 50 29.801 6.148 -10.084 1.00 0.00 O ATOM 693 CB GLN A 50 31.406 4.798 -12.580 1.00 0.00 C ATOM 694 CG GLN A 50 32.481 3.762 -12.860 1.00 0.00 C ATOM 695 CD GLN A 50 33.249 3.370 -11.613 1.00 0.00 C ATOM 696 OE1 GLN A 50 34.226 4.020 -11.244 1.00 0.00 O ATOM 697 NE2 GLN A 50 32.838 2.283 -10.978 1.00 0.00 N ATOM 0 H GLN A 50 29.721 3.063 -13.096 1.00 0.00 H new ATOM 0 HA GLN A 50 30.872 3.931 -10.692 1.00 0.00 H new ATOM 0 HB2 GLN A 50 30.905 5.049 -13.515 1.00 0.00 H new ATOM 0 HB3 GLN A 50 31.879 5.710 -12.217 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.021 2.874 -13.294 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.176 4.156 -13.602 1.00 0.00 H new ATOM 0 HE21 GLN A 50 32.023 1.772 -11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.337 1.957 -10.150 1.00 0.00 H new ATOM 706 N SER A 51 28.476 5.841 -11.871 1.00 0.00 N ATOM 707 CA SER A 51 27.606 6.964 -11.551 1.00 0.00 C ATOM 708 C SER A 51 26.802 6.667 -10.289 1.00 0.00 C ATOM 709 O SER A 51 26.592 7.543 -9.449 1.00 0.00 O ATOM 710 CB SER A 51 26.666 7.261 -12.724 1.00 0.00 C ATOM 711 OG SER A 51 27.398 7.603 -13.893 1.00 0.00 O ATOM 0 H SER A 51 28.212 5.328 -12.712 1.00 0.00 H new ATOM 0 HA SER A 51 28.224 7.843 -11.371 1.00 0.00 H new ATOM 0 HB2 SER A 51 26.042 6.390 -12.924 1.00 0.00 H new ATOM 0 HB3 SER A 51 25.996 8.079 -12.459 1.00 0.00 H new ATOM 0 HG SER A 51 27.737 6.787 -14.317 1.00 0.00 H new ATOM 717 N ILE A 52 26.376 5.417 -10.157 1.00 0.00 N ATOM 718 CA ILE A 52 25.616 4.983 -8.995 1.00 0.00 C ATOM 719 C ILE A 52 26.477 5.033 -7.736 1.00 0.00 C ATOM 720 O ILE A 52 25.996 5.395 -6.661 1.00 0.00 O ATOM 721 CB ILE A 52 25.062 3.560 -9.198 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.108 3.545 -10.393 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.352 3.074 -7.941 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.678 2.157 -10.809 1.00 0.00 C ATOM 0 H ILE A 52 26.546 4.684 -10.845 1.00 0.00 H new ATOM 0 HA ILE A 52 24.776 5.667 -8.873 1.00 0.00 H new ATOM 0 HB ILE A 52 25.893 2.883 -9.398 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.223 4.132 -10.148 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.591 4.035 -11.238 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.968 2.067 -8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 52 25.055 3.063 -7.108 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.524 3.744 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 52 23.003 2.226 -11.662 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.555 1.572 -11.087 1.00 0.00 H new ATOM 0 HD13 ILE A 52 23.166 1.671 -9.979 1.00 0.00 H new ATOM 736 N GLN A 53 27.753 4.680 -7.880 1.00 0.00 N ATOM 737 CA GLN A 53 28.700 4.769 -6.774 1.00 0.00 C ATOM 738 C GLN A 53 28.721 6.187 -6.217 1.00 0.00 C ATOM 739 O GLN A 53 28.618 6.395 -5.009 1.00 0.00 O ATOM 740 CB GLN A 53 30.110 4.382 -7.229 1.00 0.00 C ATOM 741 CG GLN A 53 30.232 2.961 -7.759 1.00 0.00 C ATOM 742 CD GLN A 53 29.886 1.905 -6.727 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.052 2.110 -5.524 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.414 0.759 -7.192 1.00 0.00 N ATOM 0 H GLN A 53 28.153 4.330 -8.751 1.00 0.00 H new ATOM 0 HA GLN A 53 28.379 4.075 -5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.431 5.075 -8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.795 4.504 -6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.576 2.845 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.251 2.797 -8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.291 0.628 -8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.173 0.007 -6.546 1.00 0.00 H new ATOM 753 N SER A 54 28.830 7.159 -7.117 1.00 0.00 N ATOM 754 CA SER A 54 28.852 8.562 -6.731 1.00 0.00 C ATOM 755 C SER A 54 27.529 8.973 -6.088 1.00 0.00 C ATOM 756 O SER A 54 27.508 9.679 -5.077 1.00 0.00 O ATOM 757 CB SER A 54 29.126 9.434 -7.957 1.00 0.00 C ATOM 758 OG SER A 54 30.284 8.996 -8.646 1.00 0.00 O ATOM 0 H SER A 54 28.905 6.998 -8.121 1.00 0.00 H new ATOM 0 HA SER A 54 29.647 8.703 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.267 9.404 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.254 10.471 -7.648 1.00 0.00 H new ATOM 0 HG SER A 54 30.065 8.207 -9.185 1.00 0.00 H new ATOM 764 N LEU A 55 26.429 8.517 -6.676 1.00 0.00 N ATOM 765 CA LEU A 55 25.103 8.849 -6.192 1.00 0.00 C ATOM 766 C LEU A 55 24.891 8.345 -4.769 1.00 0.00 C ATOM 767 O LEU A 55 24.422 9.086 -3.904 1.00 0.00 O ATOM 768 CB LEU A 55 24.049 8.247 -7.120 1.00 0.00 C ATOM 769 CG LEU A 55 23.960 8.878 -8.513 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.924 8.153 -9.363 1.00 0.00 C ATOM 771 CD2 LEU A 55 23.622 10.359 -8.415 1.00 0.00 C ATOM 0 H LEU A 55 26.435 7.911 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 55 25.006 9.935 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.256 7.183 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 55 23.075 8.332 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 55 24.934 8.780 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.875 8.615 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.207 7.106 -9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.948 8.219 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 55 23.564 10.786 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.662 10.481 -7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 55 24.397 10.872 -7.846 1.00 0.00 H new ATOM 783 N ALA A 56 25.274 7.099 -4.527 1.00 0.00 N ATOM 784 CA ALA A 56 25.045 6.460 -3.235 1.00 0.00 C ATOM 785 C ALA A 56 26.089 6.869 -2.200 1.00 0.00 C ATOM 786 O ALA A 56 26.007 6.471 -1.039 1.00 0.00 O ATOM 787 CB ALA A 56 25.036 4.949 -3.394 1.00 0.00 C ATOM 0 H ALA A 56 25.747 6.507 -5.210 1.00 0.00 H new ATOM 0 HA ALA A 56 24.073 6.796 -2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.864 4.482 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 56 24.241 4.660 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.996 4.619 -3.791 1.00 0.00 H new ATOM 793 N ALA A 57 27.068 7.662 -2.612 1.00 0.00 N ATOM 794 CA ALA A 57 28.105 8.113 -1.703 1.00 0.00 C ATOM 795 C ALA A 57 27.865 9.558 -1.320 1.00 0.00 C ATOM 796 O ALA A 57 28.016 9.942 -0.160 1.00 0.00 O ATOM 797 CB ALA A 57 29.480 7.956 -2.336 1.00 0.00 C ATOM 0 H ALA A 57 27.164 8.004 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 57 28.071 7.498 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.243 8.300 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.653 6.907 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.530 8.549 -3.249 1.00 0.00 H new ATOM 803 N GLN A 58 27.488 10.358 -2.306 1.00 0.00 N ATOM 804 CA GLN A 58 27.198 11.758 -2.073 1.00 0.00 C ATOM 805 C GLN A 58 25.762 11.966 -1.607 1.00 0.00 C ATOM 806 O GLN A 58 25.465 12.932 -0.908 1.00 0.00 O ATOM 807 CB GLN A 58 27.457 12.568 -3.337 1.00 0.00 C ATOM 808 CG GLN A 58 28.930 12.767 -3.642 1.00 0.00 C ATOM 809 CD GLN A 58 29.147 13.588 -4.892 1.00 0.00 C ATOM 810 OE1 GLN A 58 29.154 14.815 -4.843 1.00 0.00 O ATOM 811 NE2 GLN A 58 29.341 12.920 -6.017 1.00 0.00 N ATOM 0 H GLN A 58 27.377 10.058 -3.275 1.00 0.00 H new ATOM 0 HA GLN A 58 27.861 12.104 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.984 12.067 -4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 58 26.981 13.543 -3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.411 13.260 -2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 58 29.410 11.795 -3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 58 29.327 11.900 -6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 58 29.504 13.425 -6.888 1.00 0.00 H new ATOM 820 N GLY A 59 24.874 11.064 -2.003 1.00 0.00 N ATOM 821 CA GLY A 59 23.479 11.188 -1.630 1.00 0.00 C ATOM 822 C GLY A 59 22.715 12.096 -2.573 1.00 0.00 C ATOM 823 O GLY A 59 21.914 12.924 -2.141 1.00 0.00 O ATOM 0 H GLY A 59 25.095 10.249 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.017 10.201 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.409 11.579 -0.615 1.00 0.00 H new ATOM 827 N ARG A 60 22.959 11.936 -3.867 1.00 0.00 N ATOM 828 CA ARG A 60 22.306 12.762 -4.880 1.00 0.00 C ATOM 829 C ARG A 60 21.228 11.967 -5.606 1.00 0.00 C ATOM 830 O ARG A 60 20.672 12.421 -6.607 1.00 0.00 O ATOM 831 CB ARG A 60 23.320 13.275 -5.902 1.00 0.00 C ATOM 832 CG ARG A 60 24.459 14.083 -5.307 1.00 0.00 C ATOM 833 CD ARG A 60 25.185 14.847 -6.397 1.00 0.00 C ATOM 834 NE ARG A 60 26.426 15.461 -5.928 1.00 0.00 N ATOM 835 CZ ARG A 60 26.919 16.605 -6.404 1.00 0.00 C ATOM 836 NH1 ARG A 60 26.233 17.319 -7.289 1.00 0.00 N ATOM 837 NH2 ARG A 60 28.095 17.045 -5.979 1.00 0.00 N ATOM 0 H ARG A 60 23.605 11.242 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 60 21.851 13.611 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.737 12.424 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.799 13.891 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 60 24.071 14.778 -4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 60 25.155 13.420 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 60 25.409 14.170 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 60 24.528 15.622 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 60 26.947 14.985 -5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 60 25.321 16.994 -7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 60 26.618 18.193 -7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 60 28.621 16.509 -5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 60 28.474 17.920 -6.342 1.00 0.00 H new ATOM 851 N THR A 61 20.936 10.780 -5.096 1.00 0.00 N ATOM 852 CA THR A 61 20.041 9.861 -5.775 1.00 0.00 C ATOM 853 C THR A 61 18.573 10.178 -5.501 1.00 0.00 C ATOM 854 O THR A 61 17.963 9.632 -4.580 1.00 0.00 O ATOM 855 CB THR A 61 20.324 8.409 -5.357 1.00 0.00 C ATOM 856 OG1 THR A 61 21.723 8.248 -5.096 1.00 0.00 O ATOM 857 CG2 THR A 61 19.896 7.436 -6.447 1.00 0.00 C ATOM 0 H THR A 61 21.308 10.432 -4.212 1.00 0.00 H new ATOM 0 HA THR A 61 20.228 9.981 -6.842 1.00 0.00 H new ATOM 0 HB THR A 61 19.751 8.193 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.901 7.322 -4.828 1.00 0.00 H new ATOM 0 HG21 THR A 61 20.107 6.416 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.827 7.545 -6.633 1.00 0.00 H new ATOM 0 HG23 THR A 61 20.447 7.650 -7.363 1.00 0.00 H new ATOM 865 N SER A 62 18.032 11.094 -6.281 1.00 0.00 N ATOM 866 CA SER A 62 16.604 11.347 -6.291 1.00 0.00 C ATOM 867 C SER A 62 15.958 10.432 -7.329 1.00 0.00 C ATOM 868 O SER A 62 16.647 9.950 -8.227 1.00 0.00 O ATOM 869 CB SER A 62 16.339 12.814 -6.636 1.00 0.00 C ATOM 870 OG SER A 62 17.092 13.679 -5.801 1.00 0.00 O ATOM 0 H SER A 62 18.566 11.681 -6.922 1.00 0.00 H new ATOM 0 HA SER A 62 16.179 11.144 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.595 12.997 -7.680 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.276 13.031 -6.525 1.00 0.00 H new ATOM 0 HG SER A 62 16.906 14.610 -6.043 1.00 0.00 H new ATOM 876 N PRO A 63 14.640 10.167 -7.234 1.00 0.00 N ATOM 877 CA PRO A 63 13.931 9.353 -8.233 1.00 0.00 C ATOM 878 C PRO A 63 14.120 9.903 -9.646 1.00 0.00 C ATOM 879 O PRO A 63 14.035 9.169 -10.631 1.00 0.00 O ATOM 880 CB PRO A 63 12.464 9.450 -7.803 1.00 0.00 C ATOM 881 CG PRO A 63 12.516 9.769 -6.348 1.00 0.00 C ATOM 882 CD PRO A 63 13.744 10.617 -6.151 1.00 0.00 C ATOM 0 HA PRO A 63 14.300 8.328 -8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.939 10.226 -8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.936 8.514 -7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.619 10.303 -6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.571 8.859 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.517 11.680 -6.232 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.189 10.460 -5.168 1.00 0.00 H new ATOM 890 N ASN A 64 14.396 11.201 -9.724 1.00 0.00 N ATOM 891 CA ASN A 64 14.683 11.864 -10.992 1.00 0.00 C ATOM 892 C ASN A 64 15.888 11.233 -11.679 1.00 0.00 C ATOM 893 O ASN A 64 15.912 11.094 -12.902 1.00 0.00 O ATOM 894 CB ASN A 64 14.945 13.356 -10.766 1.00 0.00 C ATOM 895 CG ASN A 64 15.248 14.095 -12.056 1.00 0.00 C ATOM 896 OD1 ASN A 64 16.405 14.220 -12.462 1.00 0.00 O ATOM 897 ND2 ASN A 64 14.210 14.595 -12.706 1.00 0.00 N ATOM 0 H ASN A 64 14.427 11.821 -8.914 1.00 0.00 H new ATOM 0 HA ASN A 64 13.812 11.744 -11.636 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.074 13.806 -10.289 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.782 13.474 -10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.352 15.106 -13.577 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.268 14.469 -12.336 1.00 0.00 H new ATOM 904 N LYS A 65 16.881 10.836 -10.886 1.00 0.00 N ATOM 905 CA LYS A 65 18.109 10.271 -11.432 1.00 0.00 C ATOM 906 C LYS A 65 17.805 9.002 -12.203 1.00 0.00 C ATOM 907 O LYS A 65 18.215 8.845 -13.348 1.00 0.00 O ATOM 908 CB LYS A 65 19.124 9.939 -10.332 1.00 0.00 C ATOM 909 CG LYS A 65 19.365 11.051 -9.324 1.00 0.00 C ATOM 910 CD LYS A 65 19.748 12.370 -9.974 1.00 0.00 C ATOM 911 CE LYS A 65 20.989 12.253 -10.844 1.00 0.00 C ATOM 912 NZ LYS A 65 21.284 13.528 -11.548 1.00 0.00 N ATOM 0 H LYS A 65 16.858 10.895 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 65 18.540 11.024 -12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.781 9.053 -9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.074 9.682 -10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.464 11.195 -8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 65 20.156 10.747 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.916 12.727 -10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.921 13.116 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 65 21.842 11.972 -10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.848 11.457 -11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 22.137 13.413 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.480 13.783 -12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 21.443 14.282 -10.849 1.00 0.00 H new ATOM 926 N LEU A 66 17.053 8.113 -11.570 1.00 0.00 N ATOM 927 CA LEU A 66 16.787 6.800 -12.133 1.00 0.00 C ATOM 928 C LEU A 66 15.871 6.911 -13.343 1.00 0.00 C ATOM 929 O LEU A 66 15.996 6.146 -14.299 1.00 0.00 O ATOM 930 CB LEU A 66 16.175 5.865 -11.080 1.00 0.00 C ATOM 931 CG LEU A 66 17.024 5.620 -9.818 1.00 0.00 C ATOM 932 CD1 LEU A 66 18.513 5.651 -10.135 1.00 0.00 C ATOM 933 CD2 LEU A 66 16.695 6.624 -8.727 1.00 0.00 C ATOM 0 H LEU A 66 16.616 8.279 -10.664 1.00 0.00 H new ATOM 0 HA LEU A 66 17.737 6.373 -12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.214 6.277 -10.773 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.974 4.903 -11.551 1.00 0.00 H new ATOM 0 HG LEU A 66 16.775 4.624 -9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.083 5.475 -9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 66 18.746 4.875 -10.864 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.777 6.626 -10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.311 6.424 -7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.895 7.633 -9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.642 6.537 -8.458 1.00 0.00 H new ATOM 945 N GLN A 67 14.964 7.879 -13.304 1.00 0.00 N ATOM 946 CA GLN A 67 14.069 8.131 -14.425 1.00 0.00 C ATOM 947 C GLN A 67 14.864 8.599 -15.640 1.00 0.00 C ATOM 948 O GLN A 67 14.620 8.163 -16.765 1.00 0.00 O ATOM 949 CB GLN A 67 13.006 9.166 -14.025 1.00 0.00 C ATOM 950 CG GLN A 67 11.945 9.425 -15.091 1.00 0.00 C ATOM 951 CD GLN A 67 12.366 10.461 -16.120 1.00 0.00 C ATOM 952 OE1 GLN A 67 13.100 11.401 -15.815 1.00 0.00 O ATOM 953 NE2 GLN A 67 11.914 10.291 -17.351 1.00 0.00 N ATOM 0 H GLN A 67 14.829 8.502 -12.508 1.00 0.00 H new ATOM 0 HA GLN A 67 13.560 7.205 -14.693 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.513 8.828 -13.113 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.503 10.107 -13.789 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.716 8.489 -15.601 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.027 9.757 -14.606 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.307 9.500 -17.567 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.172 10.951 -18.085 1.00 0.00 H new ATOM 962 N ALA A 68 15.826 9.477 -15.405 1.00 0.00 N ATOM 963 CA ALA A 68 16.657 9.995 -16.479 1.00 0.00 C ATOM 964 C ALA A 68 17.640 8.938 -16.972 1.00 0.00 C ATOM 965 O ALA A 68 17.888 8.819 -18.175 1.00 0.00 O ATOM 966 CB ALA A 68 17.391 11.240 -16.022 1.00 0.00 C ATOM 0 H ALA A 68 16.050 9.845 -14.481 1.00 0.00 H new ATOM 0 HA ALA A 68 16.009 10.260 -17.314 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.010 11.617 -16.836 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.668 12.003 -15.732 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.024 10.997 -15.168 1.00 0.00 H new ATOM 972 N LEU A 69 18.192 8.167 -16.038 1.00 0.00 N ATOM 973 CA LEU A 69 19.115 7.091 -16.382 1.00 0.00 C ATOM 974 C LEU A 69 18.423 6.048 -17.245 1.00 0.00 C ATOM 975 O LEU A 69 19.051 5.440 -18.103 1.00 0.00 O ATOM 976 CB LEU A 69 19.683 6.425 -15.124 1.00 0.00 C ATOM 977 CG LEU A 69 20.627 7.293 -14.290 1.00 0.00 C ATOM 978 CD1 LEU A 69 21.067 6.548 -13.040 1.00 0.00 C ATOM 979 CD2 LEU A 69 21.839 7.716 -15.111 1.00 0.00 C ATOM 0 H LEU A 69 18.016 8.268 -15.038 1.00 0.00 H new ATOM 0 HA LEU A 69 19.939 7.531 -16.944 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.852 6.112 -14.492 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.215 5.521 -15.421 1.00 0.00 H new ATOM 0 HG LEU A 69 20.088 8.191 -13.989 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.738 7.179 -12.458 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.193 6.297 -12.439 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.586 5.633 -13.326 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.497 8.332 -14.498 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.379 6.830 -15.445 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.509 8.288 -15.978 1.00 0.00 H new ATOM 991 N ASN A 70 17.126 5.868 -17.019 1.00 0.00 N ATOM 992 CA ASN A 70 16.317 4.905 -17.772 1.00 0.00 C ATOM 993 C ASN A 70 16.456 5.145 -19.274 1.00 0.00 C ATOM 994 O ASN A 70 16.864 4.257 -20.026 1.00 0.00 O ATOM 995 CB ASN A 70 14.848 5.034 -17.336 1.00 0.00 C ATOM 996 CG ASN A 70 13.907 4.021 -17.971 1.00 0.00 C ATOM 997 OD1 ASN A 70 14.059 3.631 -19.126 1.00 0.00 O ATOM 998 ND2 ASN A 70 12.915 3.590 -17.206 1.00 0.00 N ATOM 0 H ASN A 70 16.603 6.383 -16.311 1.00 0.00 H new ATOM 0 HA ASN A 70 16.668 3.895 -17.563 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.794 4.931 -16.252 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.498 6.037 -17.578 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.246 2.912 -17.572 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.820 3.936 -16.251 1.00 0.00 H new ATOM 1005 N MET A 71 16.151 6.366 -19.692 1.00 0.00 N ATOM 1006 CA MET A 71 16.190 6.741 -21.103 1.00 0.00 C ATOM 1007 C MET A 71 17.600 6.636 -21.666 1.00 0.00 C ATOM 1008 O MET A 71 17.813 6.108 -22.760 1.00 0.00 O ATOM 1009 CB MET A 71 15.683 8.170 -21.266 1.00 0.00 C ATOM 1010 CG MET A 71 14.233 8.338 -20.855 1.00 0.00 C ATOM 1011 SD MET A 71 13.705 10.062 -20.829 1.00 0.00 S ATOM 1012 CE MET A 71 14.676 10.670 -19.454 1.00 0.00 C ATOM 0 H MET A 71 15.871 7.123 -19.068 1.00 0.00 H new ATOM 0 HA MET A 71 15.550 6.052 -21.655 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.303 8.839 -20.670 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.797 8.473 -22.307 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.599 7.780 -21.543 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.089 7.904 -19.865 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.378 11.692 -19.222 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.510 10.037 -18.583 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.733 10.652 -19.719 1.00 0.00 H new ATOM 1022 N ARG A 72 18.557 7.146 -20.909 1.00 0.00 N ATOM 1023 CA ARG A 72 19.956 7.150 -21.331 1.00 0.00 C ATOM 1024 C ARG A 72 20.511 5.731 -21.444 1.00 0.00 C ATOM 1025 O ARG A 72 21.221 5.408 -22.392 1.00 0.00 O ATOM 1026 CB ARG A 72 20.797 7.973 -20.363 1.00 0.00 C ATOM 1027 CG ARG A 72 20.398 9.437 -20.344 1.00 0.00 C ATOM 1028 CD ARG A 72 21.209 10.224 -19.339 1.00 0.00 C ATOM 1029 NE ARG A 72 22.618 10.326 -19.713 1.00 0.00 N ATOM 1030 CZ ARG A 72 23.385 11.378 -19.433 1.00 0.00 C ATOM 1031 NH1 ARG A 72 22.872 12.436 -18.813 1.00 0.00 N ATOM 1032 NH2 ARG A 72 24.668 11.374 -19.771 1.00 0.00 N ATOM 0 H ARG A 72 18.394 7.566 -19.994 1.00 0.00 H new ATOM 0 HA ARG A 72 20.005 7.605 -22.320 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.698 7.560 -19.359 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.848 7.890 -20.639 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.535 9.865 -21.337 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.338 9.522 -20.104 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.789 11.225 -19.242 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.130 9.749 -18.361 1.00 0.00 H new ATOM 0 HE ARG A 72 23.039 9.546 -20.218 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.887 12.445 -18.549 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.464 13.239 -18.601 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.068 10.565 -20.246 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.255 12.180 -19.556 1.00 0.00 H new ATOM 1046 N PHE A 73 20.171 4.896 -20.475 1.00 0.00 N ATOM 1047 CA PHE A 73 20.593 3.497 -20.457 1.00 0.00 C ATOM 1048 C PHE A 73 20.050 2.756 -21.674 1.00 0.00 C ATOM 1049 O PHE A 73 20.780 2.039 -22.359 1.00 0.00 O ATOM 1050 CB PHE A 73 20.095 2.851 -19.160 1.00 0.00 C ATOM 1051 CG PHE A 73 20.418 1.392 -18.992 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.728 0.942 -19.021 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.401 0.477 -18.784 1.00 0.00 C ATOM 1054 CE1 PHE A 73 22.016 -0.399 -18.849 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.679 -0.863 -18.608 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.990 -1.304 -18.642 1.00 0.00 C ATOM 0 H PHE A 73 19.595 5.165 -19.677 1.00 0.00 H new ATOM 0 HA PHE A 73 21.681 3.441 -20.497 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.519 3.397 -18.318 1.00 0.00 H new ATOM 0 HB3 PHE A 73 19.013 2.973 -19.107 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.532 1.646 -19.180 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.376 0.816 -18.759 1.00 0.00 H new ATOM 0 HE1 PHE A 73 23.040 -0.740 -18.876 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.875 -1.566 -18.444 1.00 0.00 H new ATOM 0 HZ PHE A 73 21.212 -2.352 -18.507 1.00 0.00 H new ATOM 1066 N ALA A 74 18.772 2.961 -21.950 1.00 0.00 N ATOM 1067 CA ALA A 74 18.119 2.324 -23.082 1.00 0.00 C ATOM 1068 C ALA A 74 18.753 2.741 -24.412 1.00 0.00 C ATOM 1069 O ALA A 74 19.011 1.903 -25.276 1.00 0.00 O ATOM 1070 CB ALA A 74 16.639 2.664 -23.081 1.00 0.00 C ATOM 0 H ALA A 74 18.163 3.568 -21.401 1.00 0.00 H new ATOM 0 HA ALA A 74 18.247 1.247 -22.979 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.155 2.184 -23.931 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.185 2.308 -22.156 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.514 3.744 -23.154 1.00 0.00 H new ATOM 1076 N SER A 75 19.018 4.035 -24.563 1.00 0.00 N ATOM 1077 CA SER A 75 19.499 4.576 -25.831 1.00 0.00 C ATOM 1078 C SER A 75 20.984 4.290 -26.063 1.00 0.00 C ATOM 1079 O SER A 75 21.407 4.100 -27.203 1.00 0.00 O ATOM 1080 CB SER A 75 19.231 6.080 -25.896 1.00 0.00 C ATOM 1081 OG SER A 75 19.627 6.723 -24.695 1.00 0.00 O ATOM 0 H SER A 75 18.908 4.729 -23.824 1.00 0.00 H new ATOM 0 HA SER A 75 18.949 4.073 -26.627 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.771 6.512 -26.738 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.170 6.256 -26.073 1.00 0.00 H new ATOM 0 HG SER A 75 18.915 6.635 -24.027 1.00 0.00 H new ATOM 1087 N SER A 76 21.773 4.253 -24.996 1.00 0.00 N ATOM 1088 CA SER A 76 23.198 3.979 -25.127 1.00 0.00 C ATOM 1089 C SER A 76 23.427 2.544 -25.594 1.00 0.00 C ATOM 1090 O SER A 76 24.270 2.284 -26.456 1.00 0.00 O ATOM 1091 CB SER A 76 23.915 4.246 -23.803 1.00 0.00 C ATOM 1092 OG SER A 76 23.224 3.651 -22.720 1.00 0.00 O ATOM 0 H SER A 76 21.454 4.408 -24.040 1.00 0.00 H new ATOM 0 HA SER A 76 23.614 4.648 -25.880 1.00 0.00 H new ATOM 0 HB2 SER A 76 24.931 3.853 -23.850 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.996 5.321 -23.640 1.00 0.00 H new ATOM 0 HG SER A 76 22.580 4.291 -22.351 1.00 0.00 H new ATOM 1098 N MET A 77 22.653 1.617 -25.038 1.00 0.00 N ATOM 1099 CA MET A 77 22.707 0.227 -25.472 1.00 0.00 C ATOM 1100 C MET A 77 22.145 0.098 -26.880 1.00 0.00 C ATOM 1101 O MET A 77 22.558 -0.769 -27.647 1.00 0.00 O ATOM 1102 CB MET A 77 21.914 -0.677 -24.528 1.00 0.00 C ATOM 1103 CG MET A 77 22.454 -0.716 -23.110 1.00 0.00 C ATOM 1104 SD MET A 77 21.535 -1.857 -22.060 1.00 0.00 S ATOM 1105 CE MET A 77 19.884 -1.174 -22.177 1.00 0.00 C ATOM 0 H MET A 77 21.985 1.802 -24.290 1.00 0.00 H new ATOM 0 HA MET A 77 23.751 -0.086 -25.461 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.878 -0.338 -24.502 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.908 -1.690 -24.931 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.503 -1.010 -23.131 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.412 0.285 -22.680 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.225 -1.696 -21.483 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.910 -0.114 -21.925 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.511 -1.296 -23.194 1.00 0.00 H new ATOM 1115 N ALA A 78 21.206 0.978 -27.207 1.00 0.00 N ATOM 1116 CA ALA A 78 20.560 0.980 -28.511 1.00 0.00 C ATOM 1117 C ALA A 78 21.568 1.210 -29.629 1.00 0.00 C ATOM 1118 O ALA A 78 21.523 0.535 -30.653 1.00 0.00 O ATOM 1119 CB ALA A 78 19.473 2.038 -28.556 1.00 0.00 C ATOM 0 H ALA A 78 20.873 1.708 -26.577 1.00 0.00 H new ATOM 0 HA ALA A 78 20.109 -0.000 -28.664 1.00 0.00 H new ATOM 0 HB1 ALA A 78 18.997 2.029 -29.537 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.728 1.827 -27.789 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.912 3.019 -28.374 1.00 0.00 H new ATOM 1125 N GLU A 79 22.479 2.160 -29.430 1.00 0.00 N ATOM 1126 CA GLU A 79 23.503 2.451 -30.428 1.00 0.00 C ATOM 1127 C GLU A 79 24.401 1.235 -30.637 1.00 0.00 C ATOM 1128 O GLU A 79 24.833 0.947 -31.753 1.00 0.00 O ATOM 1129 CB GLU A 79 24.346 3.659 -30.012 1.00 0.00 C ATOM 1130 CG GLU A 79 23.539 4.932 -29.818 1.00 0.00 C ATOM 1131 CD GLU A 79 24.403 6.178 -29.828 1.00 0.00 C ATOM 1132 OE1 GLU A 79 24.985 6.525 -28.777 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.507 6.821 -30.896 1.00 0.00 O ATOM 0 H GLU A 79 22.528 2.738 -28.591 1.00 0.00 H new ATOM 0 HA GLU A 79 23.002 2.688 -31.366 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.866 3.425 -29.083 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.110 3.836 -30.770 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.791 5.007 -30.607 1.00 0.00 H new ATOM 0 HG3 GLU A 79 23.000 4.876 -28.872 1.00 0.00 H new ATOM 1140 N ILE A 80 24.659 0.519 -29.553 1.00 0.00 N ATOM 1141 CA ILE A 80 25.493 -0.675 -29.601 1.00 0.00 C ATOM 1142 C ILE A 80 24.754 -1.815 -30.300 1.00 0.00 C ATOM 1143 O ILE A 80 25.290 -2.464 -31.198 1.00 0.00 O ATOM 1144 CB ILE A 80 25.908 -1.122 -28.180 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.569 0.041 -27.436 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.854 -2.313 -28.251 1.00 0.00 C ATOM 1147 CD1 ILE A 80 26.873 -0.258 -25.986 1.00 0.00 C ATOM 0 H ILE A 80 24.301 0.745 -28.625 1.00 0.00 H new ATOM 0 HA ILE A 80 26.392 -0.429 -30.165 1.00 0.00 H new ATOM 0 HB ILE A 80 25.015 -1.426 -27.634 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.496 0.306 -27.945 1.00 0.00 H new ATOM 0 HG13 ILE A 80 25.916 0.912 -27.489 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.136 -2.614 -27.242 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.357 -3.143 -28.752 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.748 -2.035 -28.810 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.340 0.612 -25.525 1.00 0.00 H new ATOM 0 HD12 ILE A 80 25.947 -0.494 -25.461 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.551 -1.109 -25.924 1.00 0.00 H new ATOM 1159 N ALA A 81 23.508 -2.033 -29.897 1.00 0.00 N ATOM 1160 CA ALA A 81 22.689 -3.099 -30.459 1.00 0.00 C ATOM 1161 C ALA A 81 22.306 -2.795 -31.908 1.00 0.00 C ATOM 1162 O ALA A 81 21.939 -3.694 -32.666 1.00 0.00 O ATOM 1163 CB ALA A 81 21.444 -3.311 -29.609 1.00 0.00 C ATOM 0 H ALA A 81 23.040 -1.481 -29.178 1.00 0.00 H new ATOM 0 HA ALA A 81 23.276 -4.017 -30.455 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.841 -4.110 -30.040 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.738 -3.584 -28.595 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.861 -2.391 -29.582 1.00 0.00 H new ATOM 1169 N ALA A 82 22.385 -1.526 -32.289 1.00 0.00 N ATOM 1170 CA ALA A 82 22.132 -1.132 -33.670 1.00 0.00 C ATOM 1171 C ALA A 82 23.215 -1.688 -34.591 1.00 0.00 C ATOM 1172 O ALA A 82 22.990 -1.894 -35.784 1.00 0.00 O ATOM 1173 CB ALA A 82 22.062 0.383 -33.796 1.00 0.00 C ATOM 0 H ALA A 82 22.621 -0.755 -31.665 1.00 0.00 H new ATOM 0 HA ALA A 82 21.170 -1.547 -33.970 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.873 0.653 -34.835 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.255 0.763 -33.169 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.008 0.819 -33.474 1.00 0.00 H new ATOM 1241 N SER A 89 20.534 -9.287 -36.668 1.00 0.00 N ATOM 1242 CA SER A 89 19.888 -7.982 -36.707 1.00 0.00 C ATOM 1243 C SER A 89 19.445 -7.515 -35.317 1.00 0.00 C ATOM 1244 O SER A 89 19.607 -8.221 -34.319 1.00 0.00 O ATOM 1245 CB SER A 89 18.703 -8.015 -37.671 1.00 0.00 C ATOM 1246 OG SER A 89 19.151 -8.246 -38.996 1.00 0.00 O ATOM 0 HA SER A 89 20.621 -7.259 -37.065 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.006 -8.799 -37.374 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.160 -7.071 -37.623 1.00 0.00 H new ATOM 0 HG SER A 89 19.967 -8.789 -38.976 1.00 0.00 H new ATOM 1252 N LEU A 90 18.902 -6.309 -35.260 1.00 0.00 N ATOM 1253 CA LEU A 90 18.575 -5.664 -33.997 1.00 0.00 C ATOM 1254 C LEU A 90 17.455 -6.397 -33.260 1.00 0.00 C ATOM 1255 O LEU A 90 17.540 -6.580 -32.051 1.00 0.00 O ATOM 1256 CB LEU A 90 18.213 -4.193 -34.252 1.00 0.00 C ATOM 1257 CG LEU A 90 17.904 -3.331 -33.018 1.00 0.00 C ATOM 1258 CD1 LEU A 90 16.440 -3.428 -32.638 1.00 0.00 C ATOM 1259 CD2 LEU A 90 18.791 -3.713 -31.844 1.00 0.00 C ATOM 0 H LEU A 90 18.676 -5.751 -36.084 1.00 0.00 H new ATOM 0 HA LEU A 90 19.450 -5.705 -33.348 1.00 0.00 H new ATOM 0 HB2 LEU A 90 19.038 -3.729 -34.792 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.345 -4.166 -34.911 1.00 0.00 H new ATOM 0 HG LEU A 90 18.119 -2.294 -33.278 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.250 -2.808 -31.762 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.825 -3.081 -33.468 1.00 0.00 H new ATOM 0 HD13 LEU A 90 16.191 -4.464 -32.410 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.549 -3.086 -30.986 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.624 -4.759 -31.587 1.00 0.00 H new ATOM 0 HD23 LEU A 90 19.837 -3.568 -32.116 1.00 0.00 H new ATOM 1271 N SER A 91 16.439 -6.834 -33.992 1.00 0.00 N ATOM 1272 CA SER A 91 15.275 -7.488 -33.394 1.00 0.00 C ATOM 1273 C SER A 91 15.675 -8.694 -32.541 1.00 0.00 C ATOM 1274 O SER A 91 15.066 -8.973 -31.505 1.00 0.00 O ATOM 1275 CB SER A 91 14.316 -7.911 -34.503 1.00 0.00 C ATOM 1276 OG SER A 91 15.027 -8.510 -35.575 1.00 0.00 O ATOM 0 H SER A 91 16.395 -6.748 -35.007 1.00 0.00 H new ATOM 0 HA SER A 91 14.783 -6.778 -32.730 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.582 -8.614 -34.108 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.764 -7.043 -34.865 1.00 0.00 H new ATOM 0 HG SER A 91 14.397 -8.777 -36.277 1.00 0.00 H new ATOM 1282 N THR A 92 16.706 -9.400 -32.976 1.00 0.00 N ATOM 1283 CA THR A 92 17.213 -10.542 -32.239 1.00 0.00 C ATOM 1284 C THR A 92 17.971 -10.088 -30.992 1.00 0.00 C ATOM 1285 O THR A 92 17.963 -10.757 -29.957 1.00 0.00 O ATOM 1286 CB THR A 92 18.153 -11.378 -33.127 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.518 -11.646 -34.381 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.528 -12.690 -32.454 1.00 0.00 C ATOM 0 H THR A 92 17.209 -9.199 -33.840 1.00 0.00 H new ATOM 0 HA THR A 92 16.361 -11.151 -31.937 1.00 0.00 H new ATOM 0 HB THR A 92 19.066 -10.805 -33.288 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.119 -12.177 -34.945 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.192 -13.257 -33.106 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.035 -12.484 -31.511 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.626 -13.271 -32.261 1.00 0.00 H new ATOM 1296 N LYS A 93 18.597 -8.925 -31.082 1.00 0.00 N ATOM 1297 CA LYS A 93 19.487 -8.465 -30.033 1.00 0.00 C ATOM 1298 C LYS A 93 18.746 -7.694 -28.940 1.00 0.00 C ATOM 1299 O LYS A 93 19.090 -7.819 -27.764 1.00 0.00 O ATOM 1300 CB LYS A 93 20.628 -7.641 -30.626 1.00 0.00 C ATOM 1301 CG LYS A 93 21.488 -8.445 -31.593 1.00 0.00 C ATOM 1302 CD LYS A 93 22.850 -7.810 -31.827 1.00 0.00 C ATOM 1303 CE LYS A 93 22.744 -6.439 -32.464 1.00 0.00 C ATOM 1304 NZ LYS A 93 22.025 -6.478 -33.762 1.00 0.00 N ATOM 0 H LYS A 93 18.504 -8.285 -31.870 1.00 0.00 H new ATOM 0 HA LYS A 93 19.913 -9.346 -29.552 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.215 -6.776 -31.145 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.254 -7.260 -29.819 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.623 -9.453 -31.202 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.966 -8.540 -32.545 1.00 0.00 H new ATOM 0 HD2 LYS A 93 23.378 -7.727 -30.877 1.00 0.00 H new ATOM 0 HD3 LYS A 93 23.446 -8.460 -32.467 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.226 -5.763 -31.784 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.744 -6.033 -32.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.872 -5.508 -34.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.592 -7.004 -34.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.107 -6.949 -33.636 1.00 0.00 H new ATOM 1318 N THR A 94 17.741 -6.898 -29.306 1.00 0.00 N ATOM 1319 CA THR A 94 16.873 -6.280 -28.305 1.00 0.00 C ATOM 1320 C THR A 94 16.264 -7.336 -27.382 1.00 0.00 C ATOM 1321 O THR A 94 16.267 -7.188 -26.157 1.00 0.00 O ATOM 1322 CB THR A 94 15.742 -5.475 -28.965 1.00 0.00 C ATOM 1323 OG1 THR A 94 15.335 -6.114 -30.180 1.00 0.00 O ATOM 1324 CG2 THR A 94 16.187 -4.053 -29.248 1.00 0.00 C ATOM 0 H THR A 94 17.510 -6.669 -30.273 1.00 0.00 H new ATOM 0 HA THR A 94 17.494 -5.603 -27.719 1.00 0.00 H new ATOM 0 HB THR A 94 14.897 -5.438 -28.278 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.613 -5.597 -30.595 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.370 -3.502 -29.715 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.465 -3.566 -28.313 1.00 0.00 H new ATOM 0 HG23 THR A 94 17.046 -4.067 -29.919 1.00 0.00 H new ATOM 1332 N SER A 95 15.763 -8.406 -27.987 1.00 0.00 N ATOM 1333 CA SER A 95 15.193 -9.519 -27.251 1.00 0.00 C ATOM 1334 C SER A 95 16.236 -10.165 -26.335 1.00 0.00 C ATOM 1335 O SER A 95 15.928 -10.572 -25.211 1.00 0.00 O ATOM 1336 CB SER A 95 14.649 -10.539 -28.246 1.00 0.00 C ATOM 1337 OG SER A 95 13.743 -9.928 -29.152 1.00 0.00 O ATOM 0 H SER A 95 15.742 -8.523 -29.000 1.00 0.00 H new ATOM 0 HA SER A 95 14.384 -9.154 -26.618 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.473 -10.990 -28.798 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.146 -11.344 -27.710 1.00 0.00 H new ATOM 0 HG SER A 95 14.229 -9.628 -29.948 1.00 0.00 H new ATOM 1343 N SER A 96 17.472 -10.237 -26.820 1.00 0.00 N ATOM 1344 CA SER A 96 18.576 -10.808 -26.058 1.00 0.00 C ATOM 1345 C SER A 96 18.844 -10.008 -24.783 1.00 0.00 C ATOM 1346 O SER A 96 19.014 -10.584 -23.705 1.00 0.00 O ATOM 1347 CB SER A 96 19.830 -10.862 -26.931 1.00 0.00 C ATOM 1348 OG SER A 96 19.645 -11.728 -28.040 1.00 0.00 O ATOM 0 H SER A 96 17.735 -9.903 -27.747 1.00 0.00 H new ATOM 0 HA SER A 96 18.302 -11.820 -25.759 1.00 0.00 H new ATOM 0 HB2 SER A 96 20.074 -9.860 -27.285 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.677 -11.204 -26.336 1.00 0.00 H new ATOM 0 HG SER A 96 19.018 -11.320 -28.673 1.00 0.00 H new ATOM 1354 N ILE A 97 18.861 -8.680 -24.908 1.00 0.00 N ATOM 1355 CA ILE A 97 19.109 -7.804 -23.764 1.00 0.00 C ATOM 1356 C ILE A 97 18.094 -8.051 -22.656 1.00 0.00 C ATOM 1357 O ILE A 97 18.462 -8.314 -21.511 1.00 0.00 O ATOM 1358 CB ILE A 97 19.061 -6.314 -24.167 1.00 0.00 C ATOM 1359 CG1 ILE A 97 20.156 -6.006 -25.190 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.207 -5.421 -22.939 1.00 0.00 C ATOM 1361 CD1 ILE A 97 20.132 -4.582 -25.699 1.00 0.00 C ATOM 0 H ILE A 97 18.706 -8.189 -25.789 1.00 0.00 H new ATOM 0 HA ILE A 97 20.109 -8.039 -23.400 1.00 0.00 H new ATOM 0 HB ILE A 97 18.093 -6.109 -24.624 1.00 0.00 H new ATOM 0 HG12 ILE A 97 21.128 -6.204 -24.739 1.00 0.00 H new ATOM 0 HG13 ILE A 97 20.052 -6.686 -26.035 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.171 -4.375 -23.243 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.394 -5.625 -22.242 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.161 -5.624 -22.453 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.937 -4.440 -26.420 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.174 -4.384 -26.181 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.267 -3.895 -24.864 1.00 0.00 H new ATOM 1373 N ALA A 98 16.819 -8.001 -23.014 1.00 0.00 N ATOM 1374 CA ALA A 98 15.743 -8.140 -22.042 1.00 0.00 C ATOM 1375 C ALA A 98 15.798 -9.481 -21.319 1.00 0.00 C ATOM 1376 O ALA A 98 15.563 -9.552 -20.115 1.00 0.00 O ATOM 1377 CB ALA A 98 14.396 -7.970 -22.720 1.00 0.00 C ATOM 0 H ALA A 98 16.503 -7.865 -23.974 1.00 0.00 H new ATOM 0 HA ALA A 98 15.875 -7.356 -21.296 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.601 -8.076 -21.982 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.340 -6.981 -23.174 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.279 -8.731 -23.492 1.00 0.00 H new ATOM 1383 N SER A 99 16.132 -10.538 -22.051 1.00 0.00 N ATOM 1384 CA SER A 99 16.159 -11.868 -21.502 1.00 0.00 C ATOM 1385 C SER A 99 17.235 -11.993 -20.424 1.00 0.00 C ATOM 1386 O SER A 99 17.037 -12.663 -19.411 1.00 0.00 O ATOM 1387 CB SER A 99 16.392 -12.855 -22.639 1.00 0.00 C ATOM 1388 OG SER A 99 15.388 -12.722 -23.633 1.00 0.00 O ATOM 0 H SER A 99 16.389 -10.487 -23.037 1.00 0.00 H new ATOM 0 HA SER A 99 15.206 -12.089 -21.022 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.373 -12.683 -23.081 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.392 -13.873 -22.249 1.00 0.00 H new ATOM 0 HG SER A 99 15.658 -12.039 -24.282 1.00 0.00 H new ATOM 1394 N ALA A 100 18.357 -11.316 -20.633 1.00 0.00 N ATOM 1395 CA ALA A 100 19.450 -11.341 -19.674 1.00 0.00 C ATOM 1396 C ALA A 100 19.183 -10.375 -18.526 1.00 0.00 C ATOM 1397 O ALA A 100 19.533 -10.650 -17.379 1.00 0.00 O ATOM 1398 CB ALA A 100 20.764 -10.993 -20.362 1.00 0.00 C ATOM 0 H ALA A 100 18.532 -10.743 -21.459 1.00 0.00 H new ATOM 0 HA ALA A 100 19.524 -12.348 -19.264 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.574 -11.015 -19.633 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.965 -11.719 -21.150 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.694 -9.996 -20.796 1.00 0.00 H new ATOM 1404 N MET A 101 18.541 -9.255 -18.835 1.00 0.00 N ATOM 1405 CA MET A 101 18.305 -8.216 -17.870 1.00 0.00 C ATOM 1406 C MET A 101 17.274 -8.656 -16.830 1.00 0.00 C ATOM 1407 O MET A 101 17.464 -8.445 -15.632 1.00 0.00 O ATOM 1408 CB MET A 101 17.845 -6.974 -18.614 1.00 0.00 C ATOM 1409 CG MET A 101 18.250 -5.698 -17.929 1.00 0.00 C ATOM 1410 SD MET A 101 17.964 -4.239 -18.944 1.00 0.00 S ATOM 1411 CE MET A 101 16.239 -4.467 -19.344 1.00 0.00 C ATOM 0 H MET A 101 18.174 -9.052 -19.765 1.00 0.00 H new ATOM 0 HA MET A 101 19.224 -7.998 -17.326 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.259 -6.986 -19.622 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.760 -6.998 -18.715 1.00 0.00 H new ATOM 0 HG2 MET A 101 17.695 -5.600 -16.996 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.307 -5.751 -17.667 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.745 -3.496 -19.393 1.00 0.00 H new ATOM 0 HE2 MET A 101 16.152 -4.967 -20.309 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.765 -5.077 -18.575 1.00 0.00 H new ATOM 1421 N SER A 102 16.194 -9.281 -17.291 1.00 0.00 N ATOM 1422 CA SER A 102 15.186 -9.831 -16.389 1.00 0.00 C ATOM 1423 C SER A 102 15.803 -10.914 -15.510 1.00 0.00 C ATOM 1424 O SER A 102 15.576 -10.967 -14.302 1.00 0.00 O ATOM 1425 CB SER A 102 14.027 -10.425 -17.193 1.00 0.00 C ATOM 1426 OG SER A 102 13.463 -9.465 -18.070 1.00 0.00 O ATOM 0 H SER A 102 15.994 -9.419 -18.282 1.00 0.00 H new ATOM 0 HA SER A 102 14.810 -9.027 -15.757 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.381 -11.281 -17.767 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.260 -10.793 -16.512 1.00 0.00 H new ATOM 0 HG SER A 102 14.047 -9.350 -18.848 1.00 0.00 H new ATOM 1432 N ASN A 103 16.606 -11.757 -16.138 1.00 0.00 N ATOM 1433 CA ASN A 103 17.255 -12.873 -15.463 1.00 0.00 C ATOM 1434 C ASN A 103 18.246 -12.374 -14.412 1.00 0.00 C ATOM 1435 O ASN A 103 18.419 -12.999 -13.368 1.00 0.00 O ATOM 1436 CB ASN A 103 17.966 -13.733 -16.508 1.00 0.00 C ATOM 1437 CG ASN A 103 18.682 -14.931 -15.931 1.00 0.00 C ATOM 1438 OD1 ASN A 103 18.244 -15.531 -14.949 1.00 0.00 O ATOM 1439 ND2 ASN A 103 19.796 -15.283 -16.546 1.00 0.00 N ATOM 0 H ASN A 103 16.828 -11.688 -17.131 1.00 0.00 H new ATOM 0 HA ASN A 103 16.503 -13.470 -14.946 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.235 -14.077 -17.240 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.686 -13.115 -17.044 1.00 0.00 H new ATOM 0 HD21 ASN A 103 20.333 -16.083 -16.211 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.120 -14.755 -17.357 1.00 0.00 H new ATOM 1446 N ALA A 104 18.878 -11.235 -14.684 1.00 0.00 N ATOM 1447 CA ALA A 104 19.828 -10.636 -13.750 1.00 0.00 C ATOM 1448 C ALA A 104 19.137 -10.227 -12.452 1.00 0.00 C ATOM 1449 O ALA A 104 19.716 -10.329 -11.369 1.00 0.00 O ATOM 1450 CB ALA A 104 20.515 -9.443 -14.391 1.00 0.00 C ATOM 0 H ALA A 104 18.749 -10.707 -15.547 1.00 0.00 H new ATOM 0 HA ALA A 104 20.583 -11.383 -13.505 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.220 -9.006 -13.684 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.050 -9.767 -15.284 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.769 -8.698 -14.666 1.00 0.00 H new ATOM 1456 N PHE A 105 17.896 -9.770 -12.563 1.00 0.00 N ATOM 1457 CA PHE A 105 17.093 -9.451 -11.390 1.00 0.00 C ATOM 1458 C PHE A 105 16.796 -10.724 -10.603 1.00 0.00 C ATOM 1459 O PHE A 105 16.774 -10.729 -9.370 1.00 0.00 O ATOM 1460 CB PHE A 105 15.791 -8.775 -11.808 1.00 0.00 C ATOM 1461 CG PHE A 105 15.674 -7.349 -11.355 1.00 0.00 C ATOM 1462 CD1 PHE A 105 15.986 -6.995 -10.051 1.00 0.00 C ATOM 1463 CD2 PHE A 105 15.252 -6.362 -12.230 1.00 0.00 C ATOM 1464 CE1 PHE A 105 15.876 -5.687 -9.629 1.00 0.00 C ATOM 1465 CE2 PHE A 105 15.137 -5.051 -11.813 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.452 -4.713 -10.509 1.00 0.00 C ATOM 0 H PHE A 105 17.424 -9.612 -13.453 1.00 0.00 H new ATOM 0 HA PHE A 105 17.653 -8.764 -10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.708 -8.809 -12.894 1.00 0.00 H new ATOM 0 HB3 PHE A 105 14.952 -9.344 -11.406 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.319 -7.753 -9.358 1.00 0.00 H new ATOM 0 HD2 PHE A 105 15.010 -6.621 -13.250 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.122 -5.425 -8.610 1.00 0.00 H new ATOM 0 HE2 PHE A 105 14.802 -4.291 -12.503 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.366 -3.688 -10.180 1.00 0.00 H new ATOM 1476 N LEU A 106 16.587 -11.806 -11.337 1.00 0.00 N ATOM 1477 CA LEU A 106 16.363 -13.119 -10.748 1.00 0.00 C ATOM 1478 C LEU A 106 17.618 -13.613 -10.034 1.00 0.00 C ATOM 1479 O LEU A 106 17.533 -14.284 -9.007 1.00 0.00 O ATOM 1480 CB LEU A 106 15.950 -14.117 -11.832 1.00 0.00 C ATOM 1481 CG LEU A 106 14.452 -14.203 -12.131 1.00 0.00 C ATOM 1482 CD1 LEU A 106 13.853 -12.831 -12.408 1.00 0.00 C ATOM 1483 CD2 LEU A 106 14.212 -15.135 -13.307 1.00 0.00 C ATOM 0 H LEU A 106 16.568 -11.800 -12.357 1.00 0.00 H new ATOM 0 HA LEU A 106 15.561 -13.035 -10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 106 16.470 -13.857 -12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.299 -15.107 -11.538 1.00 0.00 H new ATOM 0 HG LEU A 106 13.955 -14.603 -11.247 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.788 -12.934 -12.616 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.992 -12.191 -11.537 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.349 -12.385 -13.270 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.143 -15.191 -13.514 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.732 -14.754 -14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.588 -16.129 -13.066 1.00 0.00 H new ATOM 1495 N GLN A 107 18.778 -13.267 -10.580 1.00 0.00 N ATOM 1496 CA GLN A 107 20.054 -13.690 -10.008 1.00 0.00 C ATOM 1497 C GLN A 107 20.363 -12.925 -8.725 1.00 0.00 C ATOM 1498 O GLN A 107 21.014 -13.446 -7.822 1.00 0.00 O ATOM 1499 CB GLN A 107 21.209 -13.471 -10.995 1.00 0.00 C ATOM 1500 CG GLN A 107 21.058 -14.162 -12.343 1.00 0.00 C ATOM 1501 CD GLN A 107 20.738 -15.636 -12.232 1.00 0.00 C ATOM 1502 OE1 GLN A 107 21.631 -16.471 -12.097 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.465 -15.965 -12.352 1.00 0.00 N ATOM 0 H GLN A 107 18.863 -12.694 -11.419 1.00 0.00 H new ATOM 0 HA GLN A 107 19.961 -14.753 -9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.320 -12.400 -11.166 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.132 -13.817 -10.530 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.268 -13.668 -12.909 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.981 -14.040 -12.910 1.00 0.00 H new ATOM 0 HE21 GLN A 107 18.758 -15.238 -12.462 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.188 -16.947 -12.335 1.00 0.00 H new ATOM 1512 N THR A 108 19.891 -11.689 -8.644 1.00 0.00 N ATOM 1513 CA THR A 108 20.278 -10.802 -7.561 1.00 0.00 C ATOM 1514 C THR A 108 19.314 -10.873 -6.381 1.00 0.00 C ATOM 1515 O THR A 108 19.708 -11.204 -5.259 1.00 0.00 O ATOM 1516 CB THR A 108 20.369 -9.350 -8.059 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.249 -9.055 -8.902 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.658 -9.117 -8.827 1.00 0.00 C ATOM 0 H THR A 108 19.241 -11.280 -9.315 1.00 0.00 H new ATOM 0 HA THR A 108 21.256 -11.137 -7.216 1.00 0.00 H new ATOM 0 HB THR A 108 20.360 -8.691 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.418 -9.400 -9.803 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.697 -8.082 -9.168 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.510 -9.317 -8.177 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.694 -9.784 -9.688 1.00 0.00 H new ATOM 1526 N THR A 109 18.055 -10.556 -6.632 1.00 0.00 N ATOM 1527 CA THR A 109 17.074 -10.467 -5.566 1.00 0.00 C ATOM 1528 C THR A 109 15.920 -11.451 -5.767 1.00 0.00 C ATOM 1529 O THR A 109 15.093 -11.636 -4.874 1.00 0.00 O ATOM 1530 CB THR A 109 16.542 -9.022 -5.448 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.497 -8.944 -4.468 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.044 -8.514 -6.793 1.00 0.00 C ATOM 0 H THR A 109 17.689 -10.356 -7.563 1.00 0.00 H new ATOM 0 HA THR A 109 17.572 -10.739 -4.636 1.00 0.00 H new ATOM 0 HB THR A 109 17.367 -8.387 -5.126 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.155 -9.843 -4.282 1.00 0.00 H new ATOM 0 HG21 THR A 109 15.675 -7.494 -6.683 1.00 0.00 H new ATOM 0 HG22 THR A 109 16.862 -8.528 -7.513 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.238 -9.156 -7.148 1.00 0.00 H new ATOM 1540 N GLY A 110 15.863 -12.077 -6.938 1.00 0.00 N ATOM 1541 CA GLY A 110 14.853 -13.094 -7.187 1.00 0.00 C ATOM 1542 C GLY A 110 13.532 -12.511 -7.653 1.00 0.00 C ATOM 1543 O GLY A 110 12.564 -13.240 -7.873 1.00 0.00 O ATOM 0 H GLY A 110 16.496 -11.900 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.223 -13.790 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.690 -13.668 -6.275 1.00 0.00 H new ATOM 1547 N VAL A 111 13.491 -11.196 -7.793 1.00 0.00 N ATOM 1548 CA VAL A 111 12.302 -10.503 -8.262 1.00 0.00 C ATOM 1549 C VAL A 111 12.687 -9.617 -9.430 1.00 0.00 C ATOM 1550 O VAL A 111 13.788 -9.078 -9.461 1.00 0.00 O ATOM 1551 CB VAL A 111 11.660 -9.631 -7.157 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.293 -9.120 -7.590 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.553 -10.393 -5.842 1.00 0.00 C ATOM 0 H VAL A 111 14.278 -10.581 -7.586 1.00 0.00 H new ATOM 0 HA VAL A 111 11.569 -11.253 -8.559 1.00 0.00 H new ATOM 0 HB VAL A 111 12.312 -8.773 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.864 -8.510 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.399 -8.518 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.636 -9.966 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.098 -9.753 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.936 -11.280 -5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.548 -10.692 -5.513 1.00 0.00 H new ATOM 1563 N VAL A 112 11.791 -9.471 -10.384 1.00 0.00 N ATOM 1564 CA VAL A 112 12.099 -8.733 -11.592 1.00 0.00 C ATOM 1565 C VAL A 112 11.108 -7.593 -11.815 1.00 0.00 C ATOM 1566 O VAL A 112 9.894 -7.799 -11.832 1.00 0.00 O ATOM 1567 CB VAL A 112 12.142 -9.668 -12.825 1.00 0.00 C ATOM 1568 CG1 VAL A 112 10.851 -10.463 -12.967 1.00 0.00 C ATOM 1569 CG2 VAL A 112 12.434 -8.879 -14.093 1.00 0.00 C ATOM 0 H VAL A 112 10.846 -9.852 -10.347 1.00 0.00 H new ATOM 0 HA VAL A 112 13.090 -8.297 -11.463 1.00 0.00 H new ATOM 0 HB VAL A 112 12.953 -10.380 -12.671 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.916 -11.109 -13.843 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.700 -11.073 -12.077 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.012 -9.777 -13.084 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.459 -9.557 -14.946 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.654 -8.133 -14.245 1.00 0.00 H new ATOM 0 HG23 VAL A 112 13.399 -8.380 -13.997 1.00 0.00 H new ATOM 1579 N ASN A 113 11.636 -6.383 -11.956 1.00 0.00 N ATOM 1580 CA ASN A 113 10.807 -5.216 -12.224 1.00 0.00 C ATOM 1581 C ASN A 113 10.475 -5.156 -13.712 1.00 0.00 C ATOM 1582 O ASN A 113 11.226 -4.593 -14.511 1.00 0.00 O ATOM 1583 CB ASN A 113 11.516 -3.929 -11.767 1.00 0.00 C ATOM 1584 CG ASN A 113 10.625 -2.695 -11.839 1.00 0.00 C ATOM 1585 OD1 ASN A 113 9.752 -2.583 -12.696 1.00 0.00 O ATOM 1586 ND2 ASN A 113 10.843 -1.753 -10.932 1.00 0.00 N ATOM 0 H ASN A 113 12.634 -6.185 -11.889 1.00 0.00 H new ATOM 0 HA ASN A 113 9.879 -5.301 -11.659 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.865 -4.058 -10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.399 -3.769 -12.386 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.278 -0.904 -10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.576 -1.877 -10.234 1.00 0.00 H new ATOM 1593 N GLN A 114 9.355 -5.769 -14.073 1.00 0.00 N ATOM 1594 CA GLN A 114 8.923 -5.840 -15.463 1.00 0.00 C ATOM 1595 C GLN A 114 8.603 -4.449 -16.032 1.00 0.00 C ATOM 1596 O GLN A 114 9.062 -4.130 -17.129 1.00 0.00 O ATOM 1597 CB GLN A 114 7.719 -6.781 -15.606 1.00 0.00 C ATOM 1598 CG GLN A 114 7.327 -7.072 -17.049 1.00 0.00 C ATOM 1599 CD GLN A 114 8.422 -7.781 -17.829 1.00 0.00 C ATOM 1600 OE1 GLN A 114 8.503 -9.009 -17.833 1.00 0.00 O ATOM 1601 NE2 GLN A 114 9.258 -7.015 -18.515 1.00 0.00 N ATOM 0 H GLN A 114 8.724 -6.228 -13.416 1.00 0.00 H new ATOM 0 HA GLN A 114 9.750 -6.245 -16.046 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.945 -7.722 -15.105 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.865 -6.342 -15.090 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.426 -7.685 -17.059 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.080 -6.135 -17.549 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.159 -6.000 -18.487 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.000 -7.440 -19.071 1.00 0.00 H new ATOM 1610 N PRO A 115 7.820 -3.596 -15.313 1.00 0.00 N ATOM 1611 CA PRO A 115 7.515 -2.227 -15.767 1.00 0.00 C ATOM 1612 C PRO A 115 8.747 -1.458 -16.236 1.00 0.00 C ATOM 1613 O PRO A 115 8.730 -0.821 -17.289 1.00 0.00 O ATOM 1614 CB PRO A 115 6.940 -1.562 -14.519 1.00 0.00 C ATOM 1615 CG PRO A 115 6.300 -2.674 -13.768 1.00 0.00 C ATOM 1616 CD PRO A 115 7.147 -3.892 -14.025 1.00 0.00 C ATOM 0 HA PRO A 115 6.845 -2.238 -16.627 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.721 -1.082 -13.929 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.216 -0.789 -14.778 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.254 -2.449 -12.702 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.276 -2.833 -14.105 1.00 0.00 H new ATOM 0 HD2 PRO A 115 7.870 -4.052 -13.225 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.539 -4.794 -14.090 1.00 0.00 H new ATOM 1624 N PHE A 116 9.818 -1.543 -15.458 1.00 0.00 N ATOM 1625 CA PHE A 116 11.024 -0.778 -15.730 1.00 0.00 C ATOM 1626 C PHE A 116 11.727 -1.334 -16.956 1.00 0.00 C ATOM 1627 O PHE A 116 12.261 -0.589 -17.779 1.00 0.00 O ATOM 1628 CB PHE A 116 11.956 -0.828 -14.519 1.00 0.00 C ATOM 1629 CG PHE A 116 12.839 0.378 -14.389 1.00 0.00 C ATOM 1630 CD1 PHE A 116 12.358 1.530 -13.791 1.00 0.00 C ATOM 1631 CD2 PHE A 116 14.140 0.361 -14.859 1.00 0.00 C ATOM 1632 CE1 PHE A 116 13.161 2.648 -13.662 1.00 0.00 C ATOM 1633 CE2 PHE A 116 14.950 1.473 -14.735 1.00 0.00 C ATOM 1634 CZ PHE A 116 14.460 2.619 -14.135 1.00 0.00 C ATOM 0 H PHE A 116 9.874 -2.137 -14.631 1.00 0.00 H new ATOM 0 HA PHE A 116 10.751 0.260 -15.923 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.357 -0.928 -13.614 1.00 0.00 H new ATOM 0 HB3 PHE A 116 12.580 -1.719 -14.588 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.344 1.556 -13.421 1.00 0.00 H new ATOM 0 HD2 PHE A 116 14.527 -0.532 -15.328 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.775 3.541 -13.193 1.00 0.00 H new ATOM 0 HE2 PHE A 116 15.964 1.448 -15.106 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.091 3.490 -14.036 1.00 0.00 H new ATOM 1644 N ILE A 117 11.705 -2.654 -17.084 1.00 0.00 N ATOM 1645 CA ILE A 117 12.319 -3.313 -18.221 1.00 0.00 C ATOM 1646 C ILE A 117 11.541 -3.005 -19.501 1.00 0.00 C ATOM 1647 O ILE A 117 12.121 -2.904 -20.585 1.00 0.00 O ATOM 1648 CB ILE A 117 12.433 -4.841 -18.000 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.416 -5.121 -16.854 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.863 -5.557 -19.277 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.804 -6.576 -16.706 1.00 0.00 C ATOM 0 H ILE A 117 11.268 -3.286 -16.413 1.00 0.00 H new ATOM 0 HA ILE A 117 13.331 -2.922 -18.327 1.00 0.00 H new ATOM 0 HB ILE A 117 11.451 -5.229 -17.730 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.319 -4.531 -17.013 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.972 -4.779 -15.919 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.933 -6.628 -19.087 1.00 0.00 H new ATOM 0 HG22 ILE A 117 12.128 -5.375 -20.061 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.835 -5.180 -19.596 1.00 0.00 H new ATOM 0 HD11 ILE A 117 14.500 -6.684 -15.874 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.912 -7.173 -16.513 1.00 0.00 H new ATOM 0 HD13 ILE A 117 14.280 -6.921 -17.624 1.00 0.00 H new ATOM 1663 N ASN A 118 10.232 -2.821 -19.363 1.00 0.00 N ATOM 1664 CA ASN A 118 9.390 -2.458 -20.498 1.00 0.00 C ATOM 1665 C ASN A 118 9.820 -1.114 -21.066 1.00 0.00 C ATOM 1666 O ASN A 118 9.847 -0.921 -22.279 1.00 0.00 O ATOM 1667 CB ASN A 118 7.913 -2.382 -20.096 1.00 0.00 C ATOM 1668 CG ASN A 118 7.334 -3.721 -19.685 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.801 -4.774 -20.112 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.300 -3.687 -18.859 1.00 0.00 N ATOM 0 H ASN A 118 9.732 -2.917 -18.479 1.00 0.00 H new ATOM 0 HA ASN A 118 9.508 -3.234 -21.254 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.804 -1.678 -19.271 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.336 -1.986 -20.932 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.862 -4.556 -18.555 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.942 -2.792 -18.527 1.00 0.00 H new ATOM 1677 N GLU A 119 10.166 -0.192 -20.178 1.00 0.00 N ATOM 1678 CA GLU A 119 10.587 1.141 -20.578 1.00 0.00 C ATOM 1679 C GLU A 119 11.889 1.077 -21.368 1.00 0.00 C ATOM 1680 O GLU A 119 11.974 1.615 -22.472 1.00 0.00 O ATOM 1681 CB GLU A 119 10.739 2.034 -19.347 1.00 0.00 C ATOM 1682 CG GLU A 119 9.465 2.124 -18.523 1.00 0.00 C ATOM 1683 CD GLU A 119 9.625 2.958 -17.271 1.00 0.00 C ATOM 1684 OE1 GLU A 119 10.146 2.434 -16.267 1.00 0.00 O ATOM 1685 OE2 GLU A 119 9.209 4.135 -17.282 1.00 0.00 O ATOM 0 H GLU A 119 10.163 -0.346 -19.170 1.00 0.00 H new ATOM 0 HA GLU A 119 9.823 1.572 -21.225 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.544 1.649 -18.722 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.033 3.035 -19.664 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.672 2.550 -19.137 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.148 1.119 -18.245 1.00 0.00 H new ATOM 1692 N ILE A 120 12.888 0.397 -20.813 1.00 0.00 N ATOM 1693 CA ILE A 120 14.167 0.230 -21.492 1.00 0.00 C ATOM 1694 C ILE A 120 13.994 -0.420 -22.867 1.00 0.00 C ATOM 1695 O ILE A 120 14.408 0.147 -23.874 1.00 0.00 O ATOM 1696 CB ILE A 120 15.174 -0.599 -20.643 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.909 0.289 -19.636 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.190 -1.319 -21.523 1.00 0.00 C ATOM 1699 CD1 ILE A 120 15.057 0.789 -18.493 1.00 0.00 C ATOM 0 H ILE A 120 12.836 -0.046 -19.896 1.00 0.00 H new ATOM 0 HA ILE A 120 14.575 1.232 -21.626 1.00 0.00 H new ATOM 0 HB ILE A 120 14.592 -1.345 -20.102 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.750 -0.270 -19.226 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.324 1.147 -20.164 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.877 -1.887 -20.896 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.670 -1.998 -22.199 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.751 -0.587 -22.104 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.663 1.409 -17.832 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.230 1.379 -18.887 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.663 -0.060 -17.934 1.00 0.00 H new ATOM 1711 N THR A 121 13.351 -1.584 -22.903 1.00 0.00 N ATOM 1712 CA THR A 121 13.288 -2.397 -24.116 1.00 0.00 C ATOM 1713 C THR A 121 12.690 -1.649 -25.305 1.00 0.00 C ATOM 1714 O THR A 121 13.207 -1.735 -26.426 1.00 0.00 O ATOM 1715 CB THR A 121 12.491 -3.689 -23.872 1.00 0.00 C ATOM 1716 OG1 THR A 121 11.276 -3.392 -23.175 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.314 -4.681 -23.070 1.00 0.00 C ATOM 0 H THR A 121 12.864 -1.987 -22.103 1.00 0.00 H new ATOM 0 HA THR A 121 14.320 -2.642 -24.366 1.00 0.00 H new ATOM 0 HB THR A 121 12.252 -4.134 -24.838 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.460 -3.314 -22.216 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.733 -5.589 -22.908 1.00 0.00 H new ATOM 0 HG22 THR A 121 14.224 -4.926 -23.618 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.577 -4.242 -22.108 1.00 0.00 H new ATOM 1725 N GLN A 122 11.617 -0.909 -25.067 1.00 0.00 N ATOM 1726 CA GLN A 122 10.954 -0.178 -26.137 1.00 0.00 C ATOM 1727 C GLN A 122 11.830 0.976 -26.617 1.00 0.00 C ATOM 1728 O GLN A 122 11.918 1.247 -27.816 1.00 0.00 O ATOM 1729 CB GLN A 122 9.592 0.338 -25.668 1.00 0.00 C ATOM 1730 CG GLN A 122 8.705 -0.750 -25.078 1.00 0.00 C ATOM 1731 CD GLN A 122 8.430 -1.888 -26.045 1.00 0.00 C ATOM 1732 OE1 GLN A 122 8.347 -1.689 -27.257 1.00 0.00 O ATOM 1733 NE2 GLN A 122 8.307 -3.096 -25.514 1.00 0.00 N ATOM 0 H GLN A 122 11.189 -0.799 -24.148 1.00 0.00 H new ATOM 0 HA GLN A 122 10.794 -0.858 -26.974 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.744 1.117 -24.921 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.077 0.800 -26.510 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.179 -1.150 -24.182 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.758 -0.309 -24.768 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.382 -3.219 -24.504 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.137 -3.902 -26.115 1.00 0.00 H new ATOM 1742 N LEU A 123 12.502 1.636 -25.680 1.00 0.00 N ATOM 1743 CA LEU A 123 13.397 2.738 -26.015 1.00 0.00 C ATOM 1744 C LEU A 123 14.640 2.233 -26.739 1.00 0.00 C ATOM 1745 O LEU A 123 15.114 2.883 -27.665 1.00 0.00 O ATOM 1746 CB LEU A 123 13.784 3.534 -24.765 1.00 0.00 C ATOM 1747 CG LEU A 123 12.842 4.686 -24.393 1.00 0.00 C ATOM 1748 CD1 LEU A 123 11.431 4.183 -24.129 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.377 5.430 -23.179 1.00 0.00 C ATOM 0 H LEU A 123 12.444 1.427 -24.683 1.00 0.00 H new ATOM 0 HA LEU A 123 12.861 3.407 -26.688 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.838 2.846 -23.921 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.785 3.940 -24.910 1.00 0.00 H new ATOM 0 HG LEU A 123 12.798 5.373 -25.238 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.788 5.024 -23.868 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.045 3.695 -25.024 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.447 3.469 -23.305 1.00 0.00 H new ATOM 0 HD21 LEU A 123 12.700 6.245 -22.924 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.452 4.744 -22.335 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.363 5.835 -23.406 1.00 0.00 H new ATOM 1761 N VAL A 124 15.156 1.077 -26.330 1.00 0.00 N ATOM 1762 CA VAL A 124 16.265 0.444 -27.046 1.00 0.00 C ATOM 1763 C VAL A 124 15.905 0.300 -28.510 1.00 0.00 C ATOM 1764 O VAL A 124 16.581 0.817 -29.389 1.00 0.00 O ATOM 1765 CB VAL A 124 16.573 -0.970 -26.522 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.745 -1.577 -27.284 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.875 -0.958 -25.034 1.00 0.00 C ATOM 0 H VAL A 124 14.829 0.561 -25.513 1.00 0.00 H new ATOM 0 HA VAL A 124 17.136 1.081 -26.896 1.00 0.00 H new ATOM 0 HB VAL A 124 15.685 -1.581 -26.683 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.949 -2.577 -26.901 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.497 -1.638 -28.344 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.628 -0.951 -27.153 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.088 -1.973 -24.698 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.741 -0.324 -24.844 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.014 -0.569 -24.491 1.00 0.00 H new ATOM 1777 N SER A 125 14.813 -0.400 -28.733 1.00 0.00 N ATOM 1778 CA SER A 125 14.303 -0.675 -30.055 1.00 0.00 C ATOM 1779 C SER A 125 14.093 0.612 -30.863 1.00 0.00 C ATOM 1780 O SER A 125 14.512 0.708 -32.019 1.00 0.00 O ATOM 1781 CB SER A 125 12.998 -1.435 -29.883 1.00 0.00 C ATOM 1782 OG SER A 125 13.225 -2.723 -29.334 1.00 0.00 O ATOM 0 H SER A 125 14.246 -0.800 -27.985 1.00 0.00 H new ATOM 0 HA SER A 125 15.023 -1.269 -30.618 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.329 -0.872 -29.232 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.499 -1.530 -30.848 1.00 0.00 H new ATOM 0 HG SER A 125 13.279 -2.658 -28.358 1.00 0.00 H new ATOM 1788 N MET A 126 13.469 1.603 -30.232 1.00 0.00 N ATOM 1789 CA MET A 126 13.173 2.874 -30.883 1.00 0.00 C ATOM 1790 C MET A 126 14.454 3.644 -31.216 1.00 0.00 C ATOM 1791 O MET A 126 14.608 4.173 -32.318 1.00 0.00 O ATOM 1792 CB MET A 126 12.273 3.716 -29.973 1.00 0.00 C ATOM 1793 CG MET A 126 11.888 5.063 -30.558 1.00 0.00 C ATOM 1794 SD MET A 126 10.828 6.022 -29.459 1.00 0.00 S ATOM 1795 CE MET A 126 11.925 6.255 -28.064 1.00 0.00 C ATOM 0 H MET A 126 13.157 1.548 -29.263 1.00 0.00 H new ATOM 0 HA MET A 126 12.658 2.668 -31.821 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.365 3.153 -29.756 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.783 3.877 -29.023 1.00 0.00 H new ATOM 0 HG2 MET A 126 12.792 5.633 -30.773 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.375 4.909 -31.507 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.825 7.273 -27.689 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.664 5.550 -27.274 1.00 0.00 H new ATOM 0 HE3 MET A 126 12.955 6.083 -28.378 1.00 0.00 H new ATOM 1805 N PHE A 127 15.375 3.692 -30.264 1.00 0.00 N ATOM 1806 CA PHE A 127 16.610 4.449 -30.433 1.00 0.00 C ATOM 1807 C PHE A 127 17.619 3.704 -31.309 1.00 0.00 C ATOM 1808 O PHE A 127 18.465 4.326 -31.947 1.00 0.00 O ATOM 1809 CB PHE A 127 17.221 4.783 -29.069 1.00 0.00 C ATOM 1810 CG PHE A 127 16.541 5.924 -28.365 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.549 7.197 -28.914 1.00 0.00 C ATOM 1812 CD2 PHE A 127 15.908 5.729 -27.149 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.935 8.249 -28.265 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.292 6.778 -26.496 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.306 8.039 -27.054 1.00 0.00 C ATOM 0 H PHE A 127 15.292 3.216 -29.366 1.00 0.00 H new ATOM 0 HA PHE A 127 16.360 5.378 -30.945 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.177 3.898 -28.434 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.275 5.027 -29.203 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.041 7.367 -29.860 1.00 0.00 H new ATOM 0 HD2 PHE A 127 15.896 4.744 -26.706 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.947 9.236 -28.704 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.800 6.611 -25.549 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.826 8.861 -26.544 1.00 0.00 H new ATOM 1825 N ALA A 128 17.524 2.379 -31.344 1.00 0.00 N ATOM 1826 CA ALA A 128 18.411 1.566 -32.173 1.00 0.00 C ATOM 1827 C ALA A 128 18.229 1.897 -33.645 1.00 0.00 C ATOM 1828 O ALA A 128 19.199 2.107 -34.378 1.00 0.00 O ATOM 1829 CB ALA A 128 18.153 0.086 -31.940 1.00 0.00 C ATOM 0 H ALA A 128 16.841 1.843 -30.808 1.00 0.00 H new ATOM 0 HA ALA A 128 19.438 1.794 -31.889 1.00 0.00 H new ATOM 0 HB1 ALA A 128 18.823 -0.503 -32.566 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.331 -0.154 -30.892 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.119 -0.148 -32.195 1.00 0.00 H new ATOM 1835 N GLN A 129 16.976 1.953 -34.072 1.00 0.00 N ATOM 1836 CA GLN A 129 16.650 2.281 -35.450 1.00 0.00 C ATOM 1837 C GLN A 129 17.048 3.721 -35.767 1.00 0.00 C ATOM 1838 O GLN A 129 17.296 4.071 -36.922 1.00 0.00 O ATOM 1839 CB GLN A 129 15.156 2.071 -35.692 1.00 0.00 C ATOM 1840 CG GLN A 129 14.715 0.625 -35.540 1.00 0.00 C ATOM 1841 CD GLN A 129 15.204 -0.252 -36.676 1.00 0.00 C ATOM 1842 OE1 GLN A 129 14.537 -0.388 -37.699 1.00 0.00 O ATOM 1843 NE2 GLN A 129 16.368 -0.857 -36.506 1.00 0.00 N ATOM 0 H GLN A 129 16.165 1.774 -33.480 1.00 0.00 H new ATOM 0 HA GLN A 129 17.211 1.621 -36.112 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.592 2.690 -34.994 1.00 0.00 H new ATOM 0 HB3 GLN A 129 14.907 2.415 -36.696 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.089 0.232 -34.595 1.00 0.00 H new ATOM 0 HG3 GLN A 129 13.627 0.583 -35.495 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.893 -0.719 -35.642 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.741 -1.461 -37.239 1.00 0.00 H new