USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=39 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 94 THR OG1 : rot -148:sc= 1.07 USER MOD Set 1.2: A 125 SER OG : rot 180:sc= 0.96 USER MOD Set 2.1: A 103 ASN : amide:sc= 0.759 K(o=1.4,f=-2) USER MOD Set 2.2: A 107 GLN : amide:sc= 0.666 K(o=1.4,f=-0.96) USER MOD Set 3.1: A 37 GLN : amide:sc= -2.15! C(o=-0.25!,f=-6.5!) USER MOD Set 3.2: A 93 LYS NZ :NH3+ -117:sc= 1.91 (180deg=-0.671) USER MOD Set 4.1: A 67 GLN : amide:sc= -0.108 X(o=-0.54,f=-0.84) USER MOD Set 4.2: A 71 MET CE :methyl -155:sc= -0.432 (180deg=-1.41!) USER MOD Set 5.1: A 62 SER OG : rot 180:sc= -0.742 USER MOD Set 5.2: A 64 ASN : amide:sc= 0 X(o=-0.74,f=-0.72) USER MOD Single : A 8 THR OG1 : rot 24:sc= 0.438 USER MOD Single : A 11 THR OG1 : rot -104:sc= 1.24 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 18 ASN : amide:sc= 1.18 K(o=1.2,f=-0.25) USER MOD Single : A 20 MET CE :methyl -153:sc= -0.706 (180deg=-2.61) USER MOD Single : A 21 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.6!) USER MOD Single : A 22 SER OG : rot 80:sc= 1.06 USER MOD Single : A 24 MET CE :methyl -142:sc= -0.334 (180deg=-2.03) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 28 SER OG : rot -92:sc= 1.27 USER MOD Single : A 29 SER OG : rot 84:sc= 0.68 USER MOD Single : A 30 MET CE :methyl 163:sc= -0.118 (180deg=-0.827) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -155:sc= -0.171 (180deg=-0.93) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.858 USER MOD Single : A 46 GLN : amide:sc=0.000255 X(o=0.00025,f=-0.17) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -159:sc= -0.599 (180deg=-1.79) USER MOD Single : A 50 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.84) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.4) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0073 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.0103 X(o=0.01,f=-0.08) USER MOD Single : A 75 SER OG : rot -77:sc= -0.942! USER MOD Single : A 76 SER OG : rot 82:sc= 1.77 USER MOD Single : A 77 MET CE :methyl -172:sc= -0.815 (180deg=-0.969) USER MOD Single : A 89 SER OG : rot 25:sc= 0.0564 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 98:sc= 1.25 USER MOD Single : A 96 SER OG : rot -138:sc= -0.617 USER MOD Single : A 99 SER OG : rot 84:sc= 0.582 USER MOD Single : A 101 MET CE :methyl 172:sc= -1.65 (180deg=-1.8) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 108 THR OG1 : rot -75:sc= 0.917 USER MOD Single : A 109 THR OG1 : rot -56:sc= 1.67 USER MOD Single : A 113 ASN : amide:sc= -0.937 K(o=-0.94,f=-8.1!) USER MOD Single : A 114 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.14) USER MOD Single : A 118 ASN : amide:sc= -1 X(o=-1,f=-1.2) USER MOD Single : A 121 THR OG1 : rot 13:sc= 0.0718 USER MOD Single : A 122 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.18) USER MOD Single : A 126 MET CE :methyl 156:sc= -0.119 (180deg=-1.33) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.307 -0.773 -7.410 1.00 0.00 N ATOM 82 CA THR A 8 14.915 -0.256 -8.624 1.00 0.00 C ATOM 83 C THR A 8 16.406 -0.594 -8.617 1.00 0.00 C ATOM 84 O THR A 8 17.059 -0.487 -7.583 1.00 0.00 O ATOM 85 CB THR A 8 14.717 1.272 -8.721 1.00 0.00 C ATOM 86 OG1 THR A 8 13.403 1.614 -8.265 1.00 0.00 O ATOM 87 CG2 THR A 8 14.892 1.775 -10.146 1.00 0.00 C ATOM 0 HA THR A 8 14.438 -0.716 -9.490 1.00 0.00 H new ATOM 0 HB THR A 8 15.475 1.745 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.072 0.913 -7.665 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.745 2.855 -10.171 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.897 1.538 -10.495 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.160 1.294 -10.794 1.00 0.00 H new ATOM 95 N PRO A 9 16.960 -1.021 -9.758 1.00 0.00 N ATOM 96 CA PRO A 9 18.356 -1.477 -9.847 1.00 0.00 C ATOM 97 C PRO A 9 19.379 -0.382 -9.538 1.00 0.00 C ATOM 98 O PRO A 9 20.525 -0.677 -9.202 1.00 0.00 O ATOM 99 CB PRO A 9 18.493 -1.940 -11.303 1.00 0.00 C ATOM 100 CG PRO A 9 17.396 -1.245 -12.036 1.00 0.00 C ATOM 101 CD PRO A 9 16.271 -1.100 -11.052 1.00 0.00 C ATOM 0 HA PRO A 9 18.561 -2.254 -9.110 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.469 -1.676 -11.711 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.397 -3.023 -11.383 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.725 -0.271 -12.400 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.082 -1.821 -12.906 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.679 -0.206 -11.247 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.589 -1.949 -11.093 1.00 0.00 H new ATOM 109 N TRP A 10 18.964 0.877 -9.631 1.00 0.00 N ATOM 110 CA TRP A 10 19.890 1.993 -9.460 1.00 0.00 C ATOM 111 C TRP A 10 19.825 2.557 -8.040 1.00 0.00 C ATOM 112 O TRP A 10 20.280 3.672 -7.790 1.00 0.00 O ATOM 113 CB TRP A 10 19.582 3.113 -10.462 1.00 0.00 C ATOM 114 CG TRP A 10 19.317 2.650 -11.870 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.353 3.134 -12.708 1.00 0.00 C ATOM 116 CD2 TRP A 10 20.004 1.624 -12.604 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.403 2.480 -13.914 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.403 1.548 -13.875 1.00 0.00 C ATOM 119 CE3 TRP A 10 21.068 0.764 -12.315 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.827 0.651 -14.850 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.487 -0.127 -13.284 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.866 -0.178 -14.537 1.00 0.00 C ATOM 0 H TRP A 10 18.000 1.150 -9.822 1.00 0.00 H new ATOM 0 HA TRP A 10 20.894 1.610 -9.641 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.713 3.668 -10.108 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.421 3.809 -10.476 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.653 3.918 -12.458 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.792 2.660 -14.711 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.554 0.796 -11.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.352 0.612 -15.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.308 -0.796 -13.071 1.00 0.00 H new ATOM 0 HH2 TRP A 10 21.216 -0.888 -15.272 1.00 0.00 H new ATOM 133 N THR A 11 19.259 1.793 -7.116 1.00 0.00 N ATOM 134 CA THR A 11 19.137 2.232 -5.739 1.00 0.00 C ATOM 135 C THR A 11 20.472 2.135 -5.007 1.00 0.00 C ATOM 136 O THR A 11 20.953 3.114 -4.430 1.00 0.00 O ATOM 137 CB THR A 11 18.090 1.390 -4.994 1.00 0.00 C ATOM 138 OG1 THR A 11 18.261 0.004 -5.321 1.00 0.00 O ATOM 139 CG2 THR A 11 16.677 1.836 -5.343 1.00 0.00 C ATOM 0 H THR A 11 18.877 0.865 -7.299 1.00 0.00 H new ATOM 0 HA THR A 11 18.820 3.275 -5.757 1.00 0.00 H new ATOM 0 HB THR A 11 18.235 1.532 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.565 -0.271 -5.954 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.957 1.222 -4.801 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.546 2.881 -5.063 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.515 1.724 -6.415 1.00 0.00 H new ATOM 147 N ASN A 12 21.063 0.951 -5.036 1.00 0.00 N ATOM 148 CA ASN A 12 22.328 0.710 -4.362 1.00 0.00 C ATOM 149 C ASN A 12 23.414 0.375 -5.369 1.00 0.00 C ATOM 150 O ASN A 12 23.193 -0.412 -6.293 1.00 0.00 O ATOM 151 CB ASN A 12 22.197 -0.434 -3.352 1.00 0.00 C ATOM 152 CG ASN A 12 21.362 -0.067 -2.142 1.00 0.00 C ATOM 153 OD1 ASN A 12 21.322 1.089 -1.721 1.00 0.00 O ATOM 154 ND2 ASN A 12 20.693 -1.052 -1.567 1.00 0.00 N ATOM 0 H ASN A 12 20.684 0.138 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 12 22.602 1.621 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.750 -1.297 -3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.191 -0.735 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 12 20.118 -0.866 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 12 20.751 -1.997 -1.946 1.00 0.00 H new ATOM 161 N PRO A 13 24.601 0.974 -5.205 1.00 0.00 N ATOM 162 CA PRO A 13 25.764 0.686 -6.051 1.00 0.00 C ATOM 163 C PRO A 13 26.077 -0.803 -6.104 1.00 0.00 C ATOM 164 O PRO A 13 26.358 -1.353 -7.172 1.00 0.00 O ATOM 165 CB PRO A 13 26.903 1.430 -5.358 1.00 0.00 C ATOM 166 CG PRO A 13 26.242 2.524 -4.598 1.00 0.00 C ATOM 167 CD PRO A 13 24.899 1.994 -4.186 1.00 0.00 C ATOM 0 HA PRO A 13 25.599 0.991 -7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.460 0.769 -4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 13 27.614 1.827 -6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.834 2.806 -3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.136 3.417 -5.214 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.928 1.564 -3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.144 2.780 -4.173 1.00 0.00 H new ATOM 175 N GLY A 14 26.010 -1.445 -4.941 1.00 0.00 N ATOM 176 CA GLY A 14 26.260 -2.869 -4.844 1.00 0.00 C ATOM 177 C GLY A 14 25.287 -3.686 -5.668 1.00 0.00 C ATOM 178 O GLY A 14 25.622 -4.770 -6.139 1.00 0.00 O ATOM 0 H GLY A 14 25.784 -0.995 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.277 -3.079 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.194 -3.176 -3.800 1.00 0.00 H new ATOM 182 N LEU A 15 24.084 -3.172 -5.855 1.00 0.00 N ATOM 183 CA LEU A 15 23.092 -3.859 -6.661 1.00 0.00 C ATOM 184 C LEU A 15 23.383 -3.645 -8.141 1.00 0.00 C ATOM 185 O LEU A 15 23.348 -4.588 -8.933 1.00 0.00 O ATOM 186 CB LEU A 15 21.682 -3.368 -6.314 1.00 0.00 C ATOM 187 CG LEU A 15 20.547 -3.995 -7.129 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.506 -5.503 -6.933 1.00 0.00 C ATOM 189 CD2 LEU A 15 19.216 -3.372 -6.744 1.00 0.00 C ATOM 0 H LEU A 15 23.772 -2.284 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 15 23.144 -4.926 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.498 -3.563 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.649 -2.287 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 15 20.734 -3.797 -8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.692 -5.924 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.451 -5.938 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.346 -5.729 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.418 -3.827 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.028 -3.541 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.245 -2.300 -6.941 1.00 0.00 H new ATOM 201 N ALA A 16 23.702 -2.406 -8.497 1.00 0.00 N ATOM 202 CA ALA A 16 23.980 -2.042 -9.884 1.00 0.00 C ATOM 203 C ALA A 16 25.127 -2.864 -10.468 1.00 0.00 C ATOM 204 O ALA A 16 25.021 -3.389 -11.579 1.00 0.00 O ATOM 205 CB ALA A 16 24.294 -0.558 -9.981 1.00 0.00 C ATOM 0 H ALA A 16 23.775 -1.630 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 16 23.087 -2.262 -10.470 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.500 -0.297 -11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.441 0.019 -9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.167 -0.330 -9.370 1.00 0.00 H new ATOM 211 N GLU A 17 26.217 -2.983 -9.714 1.00 0.00 N ATOM 212 CA GLU A 17 27.390 -3.709 -10.172 1.00 0.00 C ATOM 213 C GLU A 17 27.080 -5.190 -10.396 1.00 0.00 C ATOM 214 O GLU A 17 27.532 -5.786 -11.375 1.00 0.00 O ATOM 215 CB GLU A 17 28.534 -3.537 -9.171 1.00 0.00 C ATOM 216 CG GLU A 17 28.161 -3.882 -7.740 1.00 0.00 C ATOM 217 CD GLU A 17 29.291 -3.634 -6.765 1.00 0.00 C ATOM 218 OE1 GLU A 17 29.620 -2.454 -6.515 1.00 0.00 O ATOM 219 OE2 GLU A 17 29.853 -4.616 -6.240 1.00 0.00 O ATOM 0 H GLU A 17 26.309 -2.583 -8.780 1.00 0.00 H new ATOM 0 HA GLU A 17 27.696 -3.293 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.370 -4.165 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.881 -2.504 -9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 17 27.294 -3.292 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 17 27.866 -4.930 -7.689 1.00 0.00 H new ATOM 226 N ASN A 18 26.288 -5.774 -9.502 1.00 0.00 N ATOM 227 CA ASN A 18 25.915 -7.173 -9.622 1.00 0.00 C ATOM 228 C ASN A 18 24.937 -7.376 -10.767 1.00 0.00 C ATOM 229 O ASN A 18 25.011 -8.372 -11.486 1.00 0.00 O ATOM 230 CB ASN A 18 25.310 -7.683 -8.318 1.00 0.00 C ATOM 231 CG ASN A 18 26.363 -8.078 -7.303 1.00 0.00 C ATOM 232 OD1 ASN A 18 26.858 -9.205 -7.313 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.710 -7.163 -6.417 1.00 0.00 N ATOM 0 H ASN A 18 25.895 -5.299 -8.690 1.00 0.00 H new ATOM 0 HA ASN A 18 26.819 -7.744 -9.834 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.671 -6.910 -7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.673 -8.542 -8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.411 -7.379 -5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.277 -6.240 -6.441 1.00 0.00 H new ATOM 240 N PHE A 19 24.031 -6.421 -10.940 1.00 0.00 N ATOM 241 CA PHE A 19 23.058 -6.474 -12.022 1.00 0.00 C ATOM 242 C PHE A 19 23.765 -6.466 -13.372 1.00 0.00 C ATOM 243 O PHE A 19 23.478 -7.293 -14.234 1.00 0.00 O ATOM 244 CB PHE A 19 22.084 -5.293 -11.927 1.00 0.00 C ATOM 245 CG PHE A 19 21.010 -5.302 -12.983 1.00 0.00 C ATOM 246 CD1 PHE A 19 19.982 -6.231 -12.936 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.028 -4.383 -14.025 1.00 0.00 C ATOM 248 CE1 PHE A 19 18.996 -6.244 -13.904 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.042 -4.395 -14.996 1.00 0.00 C ATOM 250 CZ PHE A 19 19.026 -5.326 -14.934 1.00 0.00 C ATOM 0 H PHE A 19 23.951 -5.598 -10.342 1.00 0.00 H new ATOM 0 HA PHE A 19 22.491 -7.400 -11.930 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.613 -5.301 -10.944 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.647 -4.363 -12.003 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.951 -6.953 -12.133 1.00 0.00 H new ATOM 0 HD2 PHE A 19 21.820 -3.651 -14.078 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.201 -6.973 -13.854 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.068 -3.676 -15.802 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.255 -5.336 -15.690 1.00 0.00 H new ATOM 260 N MET A 20 24.706 -5.544 -13.536 1.00 0.00 N ATOM 261 CA MET A 20 25.448 -5.414 -14.787 1.00 0.00 C ATOM 262 C MET A 20 26.310 -6.641 -15.054 1.00 0.00 C ATOM 263 O MET A 20 26.409 -7.104 -16.188 1.00 0.00 O ATOM 264 CB MET A 20 26.331 -4.166 -14.762 1.00 0.00 C ATOM 265 CG MET A 20 25.557 -2.862 -14.719 1.00 0.00 C ATOM 266 SD MET A 20 24.475 -2.650 -16.141 1.00 0.00 S ATOM 267 CE MET A 20 23.935 -0.964 -15.894 1.00 0.00 C ATOM 0 H MET A 20 24.975 -4.873 -12.817 1.00 0.00 H new ATOM 0 HA MET A 20 24.717 -5.324 -15.590 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.987 -4.216 -13.893 1.00 0.00 H new ATOM 0 HB3 MET A 20 26.970 -4.168 -15.645 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.962 -2.827 -13.806 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.259 -2.029 -14.674 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.955 -0.825 -16.351 1.00 0.00 H new ATOM 0 HE2 MET A 20 23.870 -0.755 -14.826 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.650 -0.282 -16.354 1.00 0.00 H new ATOM 277 N ASN A 21 26.936 -7.167 -14.009 1.00 0.00 N ATOM 278 CA ASN A 21 27.768 -8.348 -14.143 1.00 0.00 C ATOM 279 C ASN A 21 26.946 -9.544 -14.593 1.00 0.00 C ATOM 280 O ASN A 21 27.309 -10.235 -15.543 1.00 0.00 O ATOM 281 CB ASN A 21 28.481 -8.638 -12.837 1.00 0.00 C ATOM 282 CG ASN A 21 29.865 -8.033 -12.835 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.527 -7.956 -13.872 1.00 0.00 O ATOM 284 ND2 ASN A 21 30.304 -7.578 -11.686 1.00 0.00 N ATOM 0 H ASN A 21 26.881 -6.792 -13.062 1.00 0.00 H new ATOM 0 HA ASN A 21 28.519 -8.156 -14.910 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.903 -8.237 -12.005 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.550 -9.715 -12.687 1.00 0.00 H new ATOM 0 HD21 ASN A 21 31.224 -7.141 -11.628 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.725 -7.661 -10.850 1.00 0.00 H new ATOM 291 N SER A 22 25.819 -9.765 -13.927 1.00 0.00 N ATOM 292 CA SER A 22 24.913 -10.829 -14.293 1.00 0.00 C ATOM 293 C SER A 22 24.323 -10.577 -15.680 1.00 0.00 C ATOM 294 O SER A 22 24.063 -11.518 -16.436 1.00 0.00 O ATOM 295 CB SER A 22 23.807 -10.917 -13.250 1.00 0.00 C ATOM 296 OG SER A 22 24.347 -11.039 -11.944 1.00 0.00 O ATOM 0 H SER A 22 25.516 -9.212 -13.125 1.00 0.00 H new ATOM 0 HA SER A 22 25.456 -11.773 -14.327 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.178 -10.028 -13.306 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.168 -11.773 -13.464 1.00 0.00 H new ATOM 0 HG SER A 22 24.625 -10.156 -11.621 1.00 0.00 H new ATOM 302 N PHE A 23 24.122 -9.300 -16.006 1.00 0.00 N ATOM 303 CA PHE A 23 23.629 -8.899 -17.316 1.00 0.00 C ATOM 304 C PHE A 23 24.548 -9.418 -18.408 1.00 0.00 C ATOM 305 O PHE A 23 24.102 -10.085 -19.339 1.00 0.00 O ATOM 306 CB PHE A 23 23.518 -7.373 -17.405 1.00 0.00 C ATOM 307 CG PHE A 23 23.119 -6.867 -18.764 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.787 -6.831 -19.141 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.079 -6.428 -19.665 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.419 -6.364 -20.388 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.714 -5.963 -20.911 1.00 0.00 C ATOM 312 CZ PHE A 23 22.384 -5.930 -21.273 1.00 0.00 C ATOM 0 H PHE A 23 24.296 -8.521 -15.371 1.00 0.00 H new ATOM 0 HA PHE A 23 22.637 -9.330 -17.456 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.789 -7.029 -16.672 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.477 -6.933 -17.132 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.028 -7.172 -18.453 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.123 -6.451 -19.388 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.377 -6.339 -20.670 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.470 -5.625 -21.604 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.098 -5.565 -22.248 1.00 0.00 H new ATOM 322 N MET A 24 25.838 -9.127 -18.273 1.00 0.00 N ATOM 323 CA MET A 24 26.814 -9.514 -19.281 1.00 0.00 C ATOM 324 C MET A 24 26.874 -11.029 -19.429 1.00 0.00 C ATOM 325 O MET A 24 26.985 -11.545 -20.542 1.00 0.00 O ATOM 326 CB MET A 24 28.213 -8.977 -18.949 1.00 0.00 C ATOM 327 CG MET A 24 28.276 -7.472 -18.721 1.00 0.00 C ATOM 328 SD MET A 24 27.362 -6.516 -19.949 1.00 0.00 S ATOM 329 CE MET A 24 28.014 -7.162 -21.488 1.00 0.00 C ATOM 0 H MET A 24 26.230 -8.625 -17.476 1.00 0.00 H new ATOM 0 HA MET A 24 26.488 -9.074 -20.224 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.579 -9.482 -18.055 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.890 -9.237 -19.763 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.882 -7.246 -17.730 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.319 -7.155 -18.729 1.00 0.00 H new ATOM 0 HE1 MET A 24 28.117 -6.351 -22.209 1.00 0.00 H new ATOM 0 HE2 MET A 24 28.989 -7.614 -21.309 1.00 0.00 H new ATOM 0 HE3 MET A 24 27.333 -7.915 -21.884 1.00 0.00 H new ATOM 339 N GLN A 25 26.785 -11.736 -18.307 1.00 0.00 N ATOM 340 CA GLN A 25 26.816 -13.197 -18.309 1.00 0.00 C ATOM 341 C GLN A 25 25.658 -13.758 -19.129 1.00 0.00 C ATOM 342 O GLN A 25 25.837 -14.668 -19.938 1.00 0.00 O ATOM 343 CB GLN A 25 26.749 -13.734 -16.877 1.00 0.00 C ATOM 344 CG GLN A 25 27.864 -13.216 -15.982 1.00 0.00 C ATOM 345 CD GLN A 25 27.773 -13.744 -14.564 1.00 0.00 C ATOM 346 OE1 GLN A 25 26.689 -14.051 -14.068 1.00 0.00 O ATOM 347 NE2 GLN A 25 28.909 -13.827 -13.891 1.00 0.00 N ATOM 0 H GLN A 25 26.690 -11.320 -17.380 1.00 0.00 H new ATOM 0 HA GLN A 25 27.754 -13.517 -18.763 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.788 -13.463 -16.440 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.791 -14.823 -16.903 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.827 -13.498 -16.409 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.831 -12.127 -15.962 1.00 0.00 H new ATOM 0 HE21 GLN A 25 29.787 -13.563 -14.338 1.00 0.00 H new ATOM 0 HE22 GLN A 25 28.907 -14.155 -12.925 1.00 0.00 H new ATOM 356 N GLY A 26 24.473 -13.198 -18.929 1.00 0.00 N ATOM 357 CA GLY A 26 23.315 -13.636 -19.678 1.00 0.00 C ATOM 358 C GLY A 26 23.350 -13.152 -21.114 1.00 0.00 C ATOM 359 O GLY A 26 22.944 -13.867 -22.027 1.00 0.00 O ATOM 0 H GLY A 26 24.294 -12.448 -18.261 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.265 -14.725 -19.664 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.410 -13.269 -19.194 1.00 0.00 H new ATOM 363 N LEU A 27 23.851 -11.936 -21.304 1.00 0.00 N ATOM 364 CA LEU A 27 23.922 -11.315 -22.622 1.00 0.00 C ATOM 365 C LEU A 27 24.835 -12.117 -23.550 1.00 0.00 C ATOM 366 O LEU A 27 24.502 -12.354 -24.711 1.00 0.00 O ATOM 367 CB LEU A 27 24.433 -9.872 -22.481 1.00 0.00 C ATOM 368 CG LEU A 27 23.887 -8.849 -23.494 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.302 -9.200 -24.911 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.373 -8.751 -23.395 1.00 0.00 C ATOM 0 H LEU A 27 24.218 -11.354 -20.551 1.00 0.00 H new ATOM 0 HA LEU A 27 22.925 -11.302 -23.062 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.192 -9.521 -21.478 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.520 -9.885 -22.561 1.00 0.00 H new ATOM 0 HG LEU A 27 24.317 -7.878 -23.248 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.901 -8.459 -25.602 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.390 -9.209 -24.980 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.914 -10.185 -25.170 1.00 0.00 H new ATOM 0 HD21 LEU A 27 22.007 -8.023 -24.119 1.00 0.00 H new ATOM 0 HD22 LEU A 27 21.931 -9.725 -23.605 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.094 -8.435 -22.390 1.00 0.00 H new ATOM 382 N SER A 28 25.974 -12.559 -23.028 1.00 0.00 N ATOM 383 CA SER A 28 26.943 -13.306 -23.818 1.00 0.00 C ATOM 384 C SER A 28 26.464 -14.734 -24.087 1.00 0.00 C ATOM 385 O SER A 28 27.110 -15.492 -24.810 1.00 0.00 O ATOM 386 CB SER A 28 28.293 -13.310 -23.101 1.00 0.00 C ATOM 387 OG SER A 28 28.144 -13.605 -21.721 1.00 0.00 O ATOM 0 H SER A 28 26.249 -12.411 -22.057 1.00 0.00 H new ATOM 0 HA SER A 28 27.053 -12.816 -24.786 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.950 -14.046 -23.563 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.772 -12.338 -23.217 1.00 0.00 H new ATOM 0 HG SER A 28 28.055 -12.770 -21.216 1.00 0.00 H new ATOM 393 N SER A 29 25.328 -15.095 -23.504 1.00 0.00 N ATOM 394 CA SER A 29 24.728 -16.394 -23.738 1.00 0.00 C ATOM 395 C SER A 29 23.610 -16.283 -24.776 1.00 0.00 C ATOM 396 O SER A 29 22.932 -17.264 -25.088 1.00 0.00 O ATOM 397 CB SER A 29 24.193 -16.961 -22.421 1.00 0.00 C ATOM 398 OG SER A 29 25.231 -17.079 -21.458 1.00 0.00 O ATOM 0 H SER A 29 24.804 -14.500 -22.863 1.00 0.00 H new ATOM 0 HA SER A 29 25.486 -17.074 -24.128 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.406 -16.313 -22.035 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.743 -17.938 -22.598 1.00 0.00 H new ATOM 0 HG SER A 29 25.357 -16.219 -21.006 1.00 0.00 H new ATOM 404 N MET A 30 23.430 -15.078 -25.305 1.00 0.00 N ATOM 405 CA MET A 30 22.430 -14.825 -26.331 1.00 0.00 C ATOM 406 C MET A 30 23.109 -14.671 -27.690 1.00 0.00 C ATOM 407 O MET A 30 23.879 -13.731 -27.897 1.00 0.00 O ATOM 408 CB MET A 30 21.662 -13.543 -26.016 1.00 0.00 C ATOM 409 CG MET A 30 21.067 -13.473 -24.617 1.00 0.00 C ATOM 410 SD MET A 30 19.655 -14.567 -24.369 1.00 0.00 S ATOM 411 CE MET A 30 19.076 -13.975 -22.778 1.00 0.00 C ATOM 0 H MET A 30 23.970 -14.255 -25.036 1.00 0.00 H new ATOM 0 HA MET A 30 21.739 -15.667 -26.355 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.332 -12.694 -26.152 1.00 0.00 H new ATOM 0 HB3 MET A 30 20.857 -13.433 -26.742 1.00 0.00 H new ATOM 0 HG2 MET A 30 21.840 -13.723 -23.891 1.00 0.00 H new ATOM 0 HG3 MET A 30 20.760 -12.447 -24.414 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.055 -14.319 -22.611 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.722 -14.360 -21.989 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.098 -12.885 -22.765 1.00 0.00 H new ATOM 421 N PRO A 31 22.846 -15.591 -28.630 1.00 0.00 N ATOM 422 CA PRO A 31 23.426 -15.525 -29.974 1.00 0.00 C ATOM 423 C PRO A 31 22.857 -14.373 -30.799 1.00 0.00 C ATOM 424 O PRO A 31 21.717 -14.427 -31.270 1.00 0.00 O ATOM 425 CB PRO A 31 23.054 -16.870 -30.597 1.00 0.00 C ATOM 426 CG PRO A 31 21.851 -17.328 -29.845 1.00 0.00 C ATOM 427 CD PRO A 31 21.977 -16.770 -28.454 1.00 0.00 C ATOM 0 HA PRO A 31 24.500 -15.344 -29.941 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.838 -16.765 -31.660 1.00 0.00 H new ATOM 0 HB3 PRO A 31 23.871 -17.586 -30.507 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.937 -16.975 -30.323 1.00 0.00 H new ATOM 0 HG3 PRO A 31 21.799 -18.417 -29.823 1.00 0.00 H new ATOM 0 HD2 PRO A 31 21.006 -16.494 -28.043 1.00 0.00 H new ATOM 0 HD3 PRO A 31 22.418 -17.495 -27.770 1.00 0.00 H new ATOM 435 N GLY A 32 23.660 -13.333 -30.973 1.00 0.00 N ATOM 436 CA GLY A 32 23.223 -12.170 -31.720 1.00 0.00 C ATOM 437 C GLY A 32 24.236 -11.040 -31.695 1.00 0.00 C ATOM 438 O GLY A 32 24.373 -10.301 -32.668 1.00 0.00 O ATOM 0 H GLY A 32 24.611 -13.274 -30.608 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.033 -12.458 -32.754 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.278 -11.814 -31.309 1.00 0.00 H new ATOM 442 N PHE A 33 24.942 -10.899 -30.581 1.00 0.00 N ATOM 443 CA PHE A 33 25.932 -9.837 -30.440 1.00 0.00 C ATOM 444 C PHE A 33 27.340 -10.352 -30.705 1.00 0.00 C ATOM 445 O PHE A 33 27.637 -11.526 -30.483 1.00 0.00 O ATOM 446 CB PHE A 33 25.871 -9.225 -29.039 1.00 0.00 C ATOM 447 CG PHE A 33 24.669 -8.355 -28.804 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.666 -7.034 -29.220 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.549 -8.851 -28.158 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.571 -6.224 -28.997 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.449 -8.045 -27.933 1.00 0.00 C ATOM 452 CZ PHE A 33 22.461 -6.729 -28.352 1.00 0.00 C ATOM 0 H PHE A 33 24.849 -11.503 -29.765 1.00 0.00 H new ATOM 0 HA PHE A 33 25.695 -9.072 -31.180 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.875 -10.028 -28.302 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.772 -8.635 -28.872 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.532 -6.632 -29.726 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.535 -9.879 -27.826 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.583 -5.196 -29.327 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.581 -8.444 -27.430 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.603 -6.097 -28.175 1.00 0.00 H new ATOM 462 N THR A 34 28.199 -9.468 -31.190 1.00 0.00 N ATOM 463 CA THR A 34 29.602 -9.793 -31.378 1.00 0.00 C ATOM 464 C THR A 34 30.413 -9.292 -30.183 1.00 0.00 C ATOM 465 O THR A 34 29.891 -8.561 -29.332 1.00 0.00 O ATOM 466 CB THR A 34 30.161 -9.181 -32.683 1.00 0.00 C ATOM 467 OG1 THR A 34 31.490 -9.661 -32.928 1.00 0.00 O ATOM 468 CG2 THR A 34 30.182 -7.661 -32.608 1.00 0.00 C ATOM 0 H THR A 34 27.946 -8.518 -31.461 1.00 0.00 H new ATOM 0 HA THR A 34 29.687 -10.877 -31.455 1.00 0.00 H new ATOM 0 HB THR A 34 29.506 -9.484 -33.500 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.832 -9.268 -33.758 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.580 -7.256 -33.539 1.00 0.00 H new ATOM 0 HG22 THR A 34 29.169 -7.290 -32.455 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.813 -7.346 -31.777 1.00 0.00 H new ATOM 476 N ALA A 35 31.686 -9.669 -30.133 1.00 0.00 N ATOM 477 CA ALA A 35 32.564 -9.289 -29.033 1.00 0.00 C ATOM 478 C ALA A 35 32.682 -7.771 -28.920 1.00 0.00 C ATOM 479 O ALA A 35 32.685 -7.222 -27.820 1.00 0.00 O ATOM 480 CB ALA A 35 33.937 -9.918 -29.215 1.00 0.00 C ATOM 0 H ALA A 35 32.135 -10.242 -30.848 1.00 0.00 H new ATOM 0 HA ALA A 35 32.127 -9.660 -28.106 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.583 -9.627 -28.387 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.840 -11.004 -29.235 1.00 0.00 H new ATOM 0 HB3 ALA A 35 34.373 -9.575 -30.153 1.00 0.00 H new ATOM 486 N SER A 36 32.752 -7.098 -30.065 1.00 0.00 N ATOM 487 CA SER A 36 32.882 -5.645 -30.097 1.00 0.00 C ATOM 488 C SER A 36 31.675 -4.966 -29.449 1.00 0.00 C ATOM 489 O SER A 36 31.797 -3.897 -28.850 1.00 0.00 O ATOM 490 CB SER A 36 33.041 -5.172 -31.541 1.00 0.00 C ATOM 491 OG SER A 36 34.090 -5.874 -32.186 1.00 0.00 O ATOM 0 H SER A 36 32.721 -7.537 -30.985 1.00 0.00 H new ATOM 0 HA SER A 36 33.768 -5.368 -29.526 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.108 -5.324 -32.083 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.249 -4.102 -31.558 1.00 0.00 H new ATOM 0 HG SER A 36 34.175 -5.558 -33.110 1.00 0.00 H new ATOM 497 N GLN A 37 30.515 -5.597 -29.556 1.00 0.00 N ATOM 498 CA GLN A 37 29.301 -5.062 -28.961 1.00 0.00 C ATOM 499 C GLN A 37 29.281 -5.325 -27.463 1.00 0.00 C ATOM 500 O GLN A 37 28.920 -4.451 -26.678 1.00 0.00 O ATOM 501 CB GLN A 37 28.072 -5.673 -29.630 1.00 0.00 C ATOM 502 CG GLN A 37 27.441 -4.771 -30.677 1.00 0.00 C ATOM 503 CD GLN A 37 27.041 -5.524 -31.923 1.00 0.00 C ATOM 504 OE1 GLN A 37 25.953 -6.085 -32.005 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.906 -5.511 -32.920 1.00 0.00 N ATOM 0 H GLN A 37 30.390 -6.481 -30.050 1.00 0.00 H new ATOM 0 HA GLN A 37 29.282 -3.984 -29.119 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.354 -6.617 -30.097 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.330 -5.904 -28.866 1.00 0.00 H new ATOM 0 HG2 GLN A 37 26.563 -4.286 -30.252 1.00 0.00 H new ATOM 0 HG3 GLN A 37 28.144 -3.982 -30.943 1.00 0.00 H new ATOM 0 HE21 GLN A 37 28.801 -5.033 -32.813 1.00 0.00 H new ATOM 0 HE22 GLN A 37 27.680 -5.979 -33.798 1.00 0.00 H new ATOM 514 N LEU A 38 29.686 -6.528 -27.074 1.00 0.00 N ATOM 515 CA LEU A 38 29.744 -6.899 -25.663 1.00 0.00 C ATOM 516 C LEU A 38 30.741 -6.019 -24.919 1.00 0.00 C ATOM 517 O LEU A 38 30.510 -5.628 -23.774 1.00 0.00 O ATOM 518 CB LEU A 38 30.138 -8.372 -25.516 1.00 0.00 C ATOM 519 CG LEU A 38 29.173 -9.375 -26.152 1.00 0.00 C ATOM 520 CD1 LEU A 38 29.719 -10.789 -26.030 1.00 0.00 C ATOM 521 CD2 LEU A 38 27.799 -9.278 -25.507 1.00 0.00 C ATOM 0 H LEU A 38 29.980 -7.265 -27.715 1.00 0.00 H new ATOM 0 HA LEU A 38 28.755 -6.752 -25.229 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.125 -8.513 -25.957 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.228 -8.603 -24.454 1.00 0.00 H new ATOM 0 HG LEU A 38 29.074 -9.133 -27.210 1.00 0.00 H new ATOM 0 HD11 LEU A 38 29.020 -11.490 -26.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.681 -10.853 -26.538 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.847 -11.040 -24.977 1.00 0.00 H new ATOM 0 HD21 LEU A 38 27.127 -9.999 -25.973 1.00 0.00 H new ATOM 0 HD22 LEU A 38 27.881 -9.494 -24.442 1.00 0.00 H new ATOM 0 HD23 LEU A 38 27.403 -8.272 -25.644 1.00 0.00 H new ATOM 533 N ASP A 39 31.841 -5.707 -25.596 1.00 0.00 N ATOM 534 CA ASP A 39 32.895 -4.873 -25.032 1.00 0.00 C ATOM 535 C ASP A 39 32.353 -3.514 -24.609 1.00 0.00 C ATOM 536 O ASP A 39 32.446 -3.137 -23.438 1.00 0.00 O ATOM 537 CB ASP A 39 34.011 -4.685 -26.052 1.00 0.00 C ATOM 538 CG ASP A 39 35.194 -3.929 -25.487 1.00 0.00 C ATOM 539 OD1 ASP A 39 36.086 -4.574 -24.895 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.245 -2.691 -25.640 1.00 0.00 O ATOM 0 H ASP A 39 32.026 -6.024 -26.548 1.00 0.00 H new ATOM 0 HA ASP A 39 33.288 -5.376 -24.149 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.343 -5.661 -26.405 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.621 -4.149 -26.917 1.00 0.00 H new ATOM 545 N ASP A 40 31.769 -2.794 -25.563 1.00 0.00 N ATOM 546 CA ASP A 40 31.225 -1.465 -25.302 1.00 0.00 C ATOM 547 C ASP A 40 30.116 -1.528 -24.269 1.00 0.00 C ATOM 548 O ASP A 40 30.066 -0.718 -23.345 1.00 0.00 O ATOM 549 CB ASP A 40 30.681 -0.837 -26.586 1.00 0.00 C ATOM 550 CG ASP A 40 31.645 0.151 -27.208 1.00 0.00 C ATOM 551 OD1 ASP A 40 31.741 1.291 -26.706 1.00 0.00 O ATOM 552 OD2 ASP A 40 32.301 -0.201 -28.208 1.00 0.00 O ATOM 0 H ASP A 40 31.660 -3.110 -26.527 1.00 0.00 H new ATOM 0 HA ASP A 40 32.038 -0.849 -24.918 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.460 -1.625 -27.306 1.00 0.00 H new ATOM 0 HB3 ASP A 40 29.740 -0.332 -26.368 1.00 0.00 H new ATOM 557 N MET A 41 29.238 -2.507 -24.429 1.00 0.00 N ATOM 558 CA MET A 41 28.093 -2.672 -23.556 1.00 0.00 C ATOM 559 C MET A 41 28.526 -2.835 -22.104 1.00 0.00 C ATOM 560 O MET A 41 27.981 -2.182 -21.214 1.00 0.00 O ATOM 561 CB MET A 41 27.276 -3.879 -24.015 1.00 0.00 C ATOM 562 CG MET A 41 25.951 -4.029 -23.293 1.00 0.00 C ATOM 563 SD MET A 41 24.892 -5.281 -24.043 1.00 0.00 S ATOM 564 CE MET A 41 24.587 -4.554 -25.652 1.00 0.00 C ATOM 0 H MET A 41 29.302 -3.207 -25.168 1.00 0.00 H new ATOM 0 HA MET A 41 27.475 -1.776 -23.613 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.089 -3.794 -25.085 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.865 -4.784 -23.866 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.136 -4.292 -22.251 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.431 -3.071 -23.293 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.648 -4.937 -26.052 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.525 -3.470 -25.556 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.402 -4.812 -26.328 1.00 0.00 H new ATOM 574 N SER A 42 29.525 -3.678 -21.874 1.00 0.00 N ATOM 575 CA SER A 42 30.033 -3.903 -20.529 1.00 0.00 C ATOM 576 C SER A 42 30.668 -2.628 -19.981 1.00 0.00 C ATOM 577 O SER A 42 30.439 -2.255 -18.831 1.00 0.00 O ATOM 578 CB SER A 42 31.051 -5.050 -20.524 1.00 0.00 C ATOM 579 OG SER A 42 31.383 -5.437 -19.201 1.00 0.00 O ATOM 0 H SER A 42 29.998 -4.216 -22.601 1.00 0.00 H new ATOM 0 HA SER A 42 29.197 -4.180 -19.886 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.642 -5.904 -21.064 1.00 0.00 H new ATOM 0 HB3 SER A 42 31.953 -4.741 -21.052 1.00 0.00 H new ATOM 0 HG SER A 42 32.032 -6.171 -19.228 1.00 0.00 H new ATOM 585 N THR A 43 31.437 -1.946 -20.823 1.00 0.00 N ATOM 586 CA THR A 43 32.114 -0.719 -20.426 1.00 0.00 C ATOM 587 C THR A 43 31.109 0.370 -20.049 1.00 0.00 C ATOM 588 O THR A 43 31.272 1.052 -19.037 1.00 0.00 O ATOM 589 CB THR A 43 33.039 -0.206 -21.551 1.00 0.00 C ATOM 590 OG1 THR A 43 33.966 -1.233 -21.930 1.00 0.00 O ATOM 591 CG2 THR A 43 33.809 1.030 -21.112 1.00 0.00 C ATOM 0 H THR A 43 31.607 -2.225 -21.789 1.00 0.00 H new ATOM 0 HA THR A 43 32.720 -0.953 -19.551 1.00 0.00 H new ATOM 0 HB THR A 43 32.413 0.060 -22.403 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.499 -1.919 -22.451 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.451 1.367 -21.926 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.107 1.822 -20.852 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.421 0.788 -20.243 1.00 0.00 H new ATOM 599 N ILE A 44 30.061 0.525 -20.851 1.00 0.00 N ATOM 600 CA ILE A 44 29.025 1.504 -20.549 1.00 0.00 C ATOM 601 C ILE A 44 28.289 1.107 -19.279 1.00 0.00 C ATOM 602 O ILE A 44 27.954 1.952 -18.446 1.00 0.00 O ATOM 603 CB ILE A 44 28.007 1.648 -21.697 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.711 2.041 -23.000 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.944 2.674 -21.329 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.538 3.302 -22.888 1.00 0.00 C ATOM 0 H ILE A 44 29.908 -0.009 -21.706 1.00 0.00 H new ATOM 0 HA ILE A 44 29.521 2.465 -20.415 1.00 0.00 H new ATOM 0 HB ILE A 44 27.522 0.685 -21.854 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.356 1.221 -23.316 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.962 2.176 -23.781 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.230 2.768 -22.147 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.423 2.351 -20.428 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.417 3.639 -21.148 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.006 3.517 -23.849 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.895 4.135 -22.603 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.310 3.165 -22.131 1.00 0.00 H new ATOM 618 N ALA A 45 28.050 -0.187 -19.137 1.00 0.00 N ATOM 619 CA ALA A 45 27.448 -0.726 -17.929 1.00 0.00 C ATOM 620 C ALA A 45 28.279 -0.345 -16.709 1.00 0.00 C ATOM 621 O ALA A 45 27.735 -0.002 -15.659 1.00 0.00 O ATOM 622 CB ALA A 45 27.314 -2.235 -18.032 1.00 0.00 C ATOM 0 H ALA A 45 28.265 -0.886 -19.848 1.00 0.00 H new ATOM 0 HA ALA A 45 26.451 -0.299 -17.816 1.00 0.00 H new ATOM 0 HB1 ALA A 45 26.862 -2.623 -17.119 1.00 0.00 H new ATOM 0 HB2 ALA A 45 26.684 -2.487 -18.885 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.300 -2.680 -18.166 1.00 0.00 H new ATOM 628 N GLN A 46 29.602 -0.385 -16.863 1.00 0.00 N ATOM 629 CA GLN A 46 30.505 -0.013 -15.782 1.00 0.00 C ATOM 630 C GLN A 46 30.408 1.480 -15.498 1.00 0.00 C ATOM 631 O GLN A 46 30.486 1.903 -14.345 1.00 0.00 O ATOM 632 CB GLN A 46 31.959 -0.379 -16.105 1.00 0.00 C ATOM 633 CG GLN A 46 32.199 -1.857 -16.382 1.00 0.00 C ATOM 634 CD GLN A 46 31.420 -2.772 -15.453 1.00 0.00 C ATOM 635 OE1 GLN A 46 31.859 -3.078 -14.346 1.00 0.00 O ATOM 636 NE2 GLN A 46 30.276 -3.248 -15.920 1.00 0.00 N ATOM 0 H GLN A 46 30.068 -0.671 -17.724 1.00 0.00 H new ATOM 0 HA GLN A 46 30.200 -0.574 -14.899 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.279 0.196 -16.974 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.590 -0.073 -15.270 1.00 0.00 H new ATOM 0 HG2 GLN A 46 31.923 -2.077 -17.413 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.263 -2.071 -16.284 1.00 0.00 H new ATOM 0 HE21 GLN A 46 29.947 -2.969 -16.844 1.00 0.00 H new ATOM 0 HE22 GLN A 46 29.724 -3.894 -15.355 1.00 0.00 H new ATOM 645 N SER A 47 30.213 2.276 -16.549 1.00 0.00 N ATOM 646 CA SER A 47 30.093 3.722 -16.402 1.00 0.00 C ATOM 647 C SER A 47 28.872 4.055 -15.549 1.00 0.00 C ATOM 648 O SER A 47 28.926 4.920 -14.670 1.00 0.00 O ATOM 649 CB SER A 47 29.993 4.387 -17.782 1.00 0.00 C ATOM 650 OG SER A 47 29.925 5.801 -17.677 1.00 0.00 O ATOM 0 H SER A 47 30.135 1.942 -17.510 1.00 0.00 H new ATOM 0 HA SER A 47 30.981 4.108 -15.902 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.857 4.107 -18.385 1.00 0.00 H new ATOM 0 HB3 SER A 47 29.109 4.017 -18.302 1.00 0.00 H new ATOM 0 HG SER A 47 29.864 6.193 -18.573 1.00 0.00 H new ATOM 656 N MET A 48 27.780 3.338 -15.806 1.00 0.00 N ATOM 657 CA MET A 48 26.569 3.459 -15.004 1.00 0.00 C ATOM 658 C MET A 48 26.885 3.160 -13.543 1.00 0.00 C ATOM 659 O MET A 48 26.556 3.939 -12.649 1.00 0.00 O ATOM 660 CB MET A 48 25.499 2.485 -15.507 1.00 0.00 C ATOM 661 CG MET A 48 25.053 2.736 -16.940 1.00 0.00 C ATOM 662 SD MET A 48 24.016 4.202 -17.108 1.00 0.00 S ATOM 663 CE MET A 48 22.548 3.677 -16.221 1.00 0.00 C ATOM 0 H MET A 48 27.711 2.664 -16.568 1.00 0.00 H new ATOM 0 HA MET A 48 26.191 4.477 -15.093 1.00 0.00 H new ATOM 0 HB2 MET A 48 25.884 1.468 -15.431 1.00 0.00 H new ATOM 0 HB3 MET A 48 24.630 2.547 -14.852 1.00 0.00 H new ATOM 0 HG2 MET A 48 25.932 2.845 -17.575 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.505 1.866 -17.302 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.697 4.282 -16.535 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.347 2.628 -16.439 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.706 3.801 -15.150 1.00 0.00 H new ATOM 673 N VAL A 49 27.555 2.034 -13.321 1.00 0.00 N ATOM 674 CA VAL A 49 27.922 1.595 -11.981 1.00 0.00 C ATOM 675 C VAL A 49 28.779 2.641 -11.269 1.00 0.00 C ATOM 676 O VAL A 49 28.495 3.008 -10.131 1.00 0.00 O ATOM 677 CB VAL A 49 28.683 0.250 -12.021 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.132 -0.163 -10.628 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.815 -0.836 -12.640 1.00 0.00 C ATOM 0 H VAL A 49 27.858 1.403 -14.063 1.00 0.00 H new ATOM 0 HA VAL A 49 26.994 1.461 -11.425 1.00 0.00 H new ATOM 0 HB VAL A 49 29.570 0.383 -12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.665 -1.112 -10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.793 0.600 -10.217 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.261 -0.274 -9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.367 -1.776 -12.660 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.909 -0.960 -12.047 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.546 -0.551 -13.657 1.00 0.00 H new ATOM 689 N GLN A 50 29.810 3.133 -11.955 1.00 0.00 N ATOM 690 CA GLN A 50 30.740 4.099 -11.370 1.00 0.00 C ATOM 691 C GLN A 50 30.025 5.364 -10.901 1.00 0.00 C ATOM 692 O GLN A 50 30.383 5.946 -9.875 1.00 0.00 O ATOM 693 CB GLN A 50 31.840 4.470 -12.367 1.00 0.00 C ATOM 694 CG GLN A 50 32.782 3.323 -12.695 1.00 0.00 C ATOM 695 CD GLN A 50 33.466 2.745 -11.469 1.00 0.00 C ATOM 696 OE1 GLN A 50 33.666 3.432 -10.465 1.00 0.00 O ATOM 697 NE2 GLN A 50 33.858 1.485 -11.555 1.00 0.00 N ATOM 0 H GLN A 50 30.023 2.878 -12.919 1.00 0.00 H new ATOM 0 HA GLN A 50 31.190 3.619 -10.501 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.378 4.824 -13.289 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.420 5.300 -11.962 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.223 2.534 -13.198 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.540 3.672 -13.396 1.00 0.00 H new ATOM 0 HE21 GLN A 50 33.673 0.950 -12.404 1.00 0.00 H new ATOM 0 HE22 GLN A 50 34.345 1.048 -10.773 1.00 0.00 H new ATOM 706 N SER A 51 29.010 5.782 -11.645 1.00 0.00 N ATOM 707 CA SER A 51 28.264 6.983 -11.305 1.00 0.00 C ATOM 708 C SER A 51 27.373 6.718 -10.092 1.00 0.00 C ATOM 709 O SER A 51 27.227 7.570 -9.212 1.00 0.00 O ATOM 710 CB SER A 51 27.425 7.444 -12.504 1.00 0.00 C ATOM 711 OG SER A 51 26.889 8.744 -12.295 1.00 0.00 O ATOM 0 H SER A 51 28.685 5.307 -12.487 1.00 0.00 H new ATOM 0 HA SER A 51 28.966 7.778 -11.053 1.00 0.00 H new ATOM 0 HB2 SER A 51 28.042 7.444 -13.403 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.613 6.737 -12.674 1.00 0.00 H new ATOM 0 HG SER A 51 26.361 9.010 -13.077 1.00 0.00 H new ATOM 717 N ILE A 52 26.808 5.517 -10.039 1.00 0.00 N ATOM 718 CA ILE A 52 25.930 5.124 -8.943 1.00 0.00 C ATOM 719 C ILE A 52 26.725 4.914 -7.652 1.00 0.00 C ATOM 720 O ILE A 52 26.211 5.137 -6.554 1.00 0.00 O ATOM 721 CB ILE A 52 25.142 3.845 -9.299 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.297 4.095 -10.552 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.257 3.411 -8.137 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.651 2.851 -11.111 1.00 0.00 C ATOM 0 H ILE A 52 26.944 4.795 -10.747 1.00 0.00 H new ATOM 0 HA ILE A 52 25.219 5.934 -8.782 1.00 0.00 H new ATOM 0 HB ILE A 52 25.850 3.041 -9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.520 4.821 -10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.928 4.542 -11.321 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.712 2.508 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.877 3.209 -7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.548 4.205 -7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 52 23.070 3.109 -11.996 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.423 2.130 -11.381 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.993 2.414 -10.360 1.00 0.00 H new ATOM 736 N GLN A 53 27.987 4.505 -7.791 1.00 0.00 N ATOM 737 CA GLN A 53 28.873 4.343 -6.639 1.00 0.00 C ATOM 738 C GLN A 53 28.928 5.630 -5.822 1.00 0.00 C ATOM 739 O GLN A 53 28.822 5.606 -4.598 1.00 0.00 O ATOM 740 CB GLN A 53 30.290 3.963 -7.084 1.00 0.00 C ATOM 741 CG GLN A 53 30.400 2.590 -7.732 1.00 0.00 C ATOM 742 CD GLN A 53 30.076 1.449 -6.785 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.282 1.547 -5.573 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.568 0.352 -7.331 1.00 0.00 N ATOM 0 H GLN A 53 28.417 4.280 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 53 28.470 3.540 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.650 4.713 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.951 3.996 -6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.726 2.545 -8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.411 2.458 -8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.412 0.309 -8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.333 -0.448 -6.744 1.00 0.00 H new ATOM 753 N SER A 54 29.081 6.752 -6.510 1.00 0.00 N ATOM 754 CA SER A 54 29.145 8.046 -5.851 1.00 0.00 C ATOM 755 C SER A 54 27.741 8.563 -5.530 1.00 0.00 C ATOM 756 O SER A 54 27.549 9.317 -4.574 1.00 0.00 O ATOM 757 CB SER A 54 29.882 9.044 -6.742 1.00 0.00 C ATOM 758 OG SER A 54 31.061 8.469 -7.288 1.00 0.00 O ATOM 0 H SER A 54 29.163 6.791 -7.526 1.00 0.00 H new ATOM 0 HA SER A 54 29.688 7.931 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 54 29.225 9.370 -7.549 1.00 0.00 H new ATOM 0 HB3 SER A 54 30.141 9.931 -6.163 1.00 0.00 H new ATOM 0 HG SER A 54 31.513 9.127 -7.856 1.00 0.00 H new ATOM 764 N LEU A 55 26.764 8.128 -6.322 1.00 0.00 N ATOM 765 CA LEU A 55 25.372 8.549 -6.162 1.00 0.00 C ATOM 766 C LEU A 55 24.875 8.257 -4.752 1.00 0.00 C ATOM 767 O LEU A 55 24.320 9.131 -4.080 1.00 0.00 O ATOM 768 CB LEU A 55 24.497 7.832 -7.193 1.00 0.00 C ATOM 769 CG LEU A 55 23.055 8.327 -7.291 1.00 0.00 C ATOM 770 CD1 LEU A 55 23.018 9.775 -7.751 1.00 0.00 C ATOM 771 CD2 LEU A 55 22.259 7.445 -8.239 1.00 0.00 C ATOM 0 H LEU A 55 26.913 7.475 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 55 25.311 9.625 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.964 7.932 -8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 55 24.482 6.769 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 55 22.601 8.271 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 55 21.983 10.110 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.557 10.397 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 55 23.487 9.857 -8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 55 21.233 7.809 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.713 7.473 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 55 22.259 6.420 -7.869 1.00 0.00 H new ATOM 783 N ALA A 56 25.105 7.037 -4.290 1.00 0.00 N ATOM 784 CA ALA A 56 24.648 6.633 -2.967 1.00 0.00 C ATOM 785 C ALA A 56 25.715 6.879 -1.906 1.00 0.00 C ATOM 786 O ALA A 56 25.577 6.454 -0.760 1.00 0.00 O ATOM 787 CB ALA A 56 24.233 5.175 -2.970 1.00 0.00 C ATOM 0 H ALA A 56 25.602 6.312 -4.808 1.00 0.00 H new ATOM 0 HA ALA A 56 23.782 7.245 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 56 23.895 4.891 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 56 23.422 5.029 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.083 4.555 -3.255 1.00 0.00 H new ATOM 793 N ALA A 57 26.778 7.568 -2.291 1.00 0.00 N ATOM 794 CA ALA A 57 27.830 7.936 -1.356 1.00 0.00 C ATOM 795 C ALA A 57 27.672 9.396 -0.984 1.00 0.00 C ATOM 796 O ALA A 57 27.947 9.808 0.145 1.00 0.00 O ATOM 797 CB ALA A 57 29.198 7.684 -1.966 1.00 0.00 C ATOM 0 H ALA A 57 26.935 7.885 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 57 27.748 7.324 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 57 29.972 7.965 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.298 6.627 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.307 8.279 -2.873 1.00 0.00 H new ATOM 803 N GLN A 58 27.223 10.178 -1.954 1.00 0.00 N ATOM 804 CA GLN A 58 26.926 11.575 -1.728 1.00 0.00 C ATOM 805 C GLN A 58 25.466 11.749 -1.323 1.00 0.00 C ATOM 806 O GLN A 58 25.029 12.850 -0.999 1.00 0.00 O ATOM 807 CB GLN A 58 27.244 12.397 -2.981 1.00 0.00 C ATOM 808 CG GLN A 58 28.725 12.397 -3.338 1.00 0.00 C ATOM 809 CD GLN A 58 29.049 13.185 -4.597 1.00 0.00 C ATOM 810 OE1 GLN A 58 28.138 13.191 -5.556 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 30.127 13.768 -4.713 1.00 0.00 N flip ATOM 0 H GLN A 58 27.057 9.862 -2.909 1.00 0.00 H new ATOM 0 HA GLN A 58 27.552 11.938 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.674 12.001 -3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 58 26.914 13.424 -2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.291 12.812 -2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 58 29.059 11.367 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 58 30.806 13.742 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 58 30.342 14.278 -5.570 1.00 0.00 H new ATOM 820 N GLY A 59 24.720 10.647 -1.343 1.00 0.00 N ATOM 821 CA GLY A 59 23.326 10.672 -0.936 1.00 0.00 C ATOM 822 C GLY A 59 22.468 11.493 -1.871 1.00 0.00 C ATOM 823 O GLY A 59 21.640 12.289 -1.428 1.00 0.00 O ATOM 0 H GLY A 59 25.060 9.731 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.943 9.652 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.252 11.079 0.072 1.00 0.00 H new ATOM 827 N ARG A 60 22.663 11.300 -3.166 1.00 0.00 N ATOM 828 CA ARG A 60 21.934 12.066 -4.165 1.00 0.00 C ATOM 829 C ARG A 60 21.021 11.165 -4.982 1.00 0.00 C ATOM 830 O ARG A 60 20.449 11.590 -5.989 1.00 0.00 O ATOM 831 CB ARG A 60 22.900 12.797 -5.085 1.00 0.00 C ATOM 832 CG ARG A 60 23.803 13.775 -4.360 1.00 0.00 C ATOM 833 CD ARG A 60 24.503 14.686 -5.342 1.00 0.00 C ATOM 834 NE ARG A 60 25.487 15.556 -4.699 1.00 0.00 N ATOM 835 CZ ARG A 60 26.054 16.599 -5.303 1.00 0.00 C ATOM 836 NH1 ARG A 60 25.672 16.941 -6.524 1.00 0.00 N ATOM 837 NH2 ARG A 60 26.993 17.304 -4.680 1.00 0.00 N ATOM 0 H ARG A 60 23.319 10.620 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 60 21.319 12.799 -3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.516 12.065 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.331 13.334 -5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 60 23.216 14.369 -3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.542 13.229 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 60 24.999 14.082 -6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 60 23.762 15.299 -5.855 1.00 0.00 H new ATOM 0 HE ARG A 60 25.754 15.353 -3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 60 24.945 16.406 -7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 60 26.105 17.739 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 60 27.282 17.047 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 60 27.425 18.102 -5.146 1.00 0.00 H new ATOM 851 N THR A 61 20.891 9.920 -4.546 1.00 0.00 N ATOM 852 CA THR A 61 20.047 8.950 -5.221 1.00 0.00 C ATOM 853 C THR A 61 18.587 9.385 -5.163 1.00 0.00 C ATOM 854 O THR A 61 17.935 9.316 -4.120 1.00 0.00 O ATOM 855 CB THR A 61 20.206 7.557 -4.588 1.00 0.00 C ATOM 856 OG1 THR A 61 21.569 7.364 -4.191 1.00 0.00 O ATOM 857 CG2 THR A 61 19.821 6.471 -5.578 1.00 0.00 C ATOM 0 H THR A 61 21.365 9.557 -3.719 1.00 0.00 H new ATOM 0 HA THR A 61 20.359 8.896 -6.264 1.00 0.00 H new ATOM 0 HB THR A 61 19.550 7.495 -3.720 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.669 6.477 -3.786 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.941 5.494 -5.111 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.782 6.605 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 61 20.464 6.534 -6.456 1.00 0.00 H new ATOM 865 N SER A 62 18.097 9.856 -6.295 1.00 0.00 N ATOM 866 CA SER A 62 16.750 10.375 -6.406 1.00 0.00 C ATOM 867 C SER A 62 16.132 9.893 -7.713 1.00 0.00 C ATOM 868 O SER A 62 16.855 9.648 -8.682 1.00 0.00 O ATOM 869 CB SER A 62 16.788 11.910 -6.357 1.00 0.00 C ATOM 870 OG SER A 62 15.509 12.472 -6.587 1.00 0.00 O ATOM 0 H SER A 62 18.626 9.889 -7.166 1.00 0.00 H new ATOM 0 HA SER A 62 16.141 10.016 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.159 12.234 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.489 12.281 -7.105 1.00 0.00 H new ATOM 0 HG SER A 62 15.569 13.449 -6.547 1.00 0.00 H new ATOM 876 N PRO A 63 14.796 9.732 -7.753 1.00 0.00 N ATOM 877 CA PRO A 63 14.068 9.320 -8.960 1.00 0.00 C ATOM 878 C PRO A 63 14.465 10.115 -10.204 1.00 0.00 C ATOM 879 O PRO A 63 14.410 9.597 -11.313 1.00 0.00 O ATOM 880 CB PRO A 63 12.610 9.594 -8.597 1.00 0.00 C ATOM 881 CG PRO A 63 12.558 9.424 -7.122 1.00 0.00 C ATOM 882 CD PRO A 63 13.882 9.910 -6.603 1.00 0.00 C ATOM 0 HA PRO A 63 14.279 8.283 -9.220 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.309 10.599 -8.892 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.938 8.900 -9.101 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.736 9.996 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.393 8.380 -6.855 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.831 10.953 -6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.209 9.333 -5.738 1.00 0.00 H new ATOM 890 N ASN A 64 14.872 11.369 -10.015 1.00 0.00 N ATOM 891 CA ASN A 64 15.303 12.206 -11.135 1.00 0.00 C ATOM 892 C ASN A 64 16.522 11.608 -11.825 1.00 0.00 C ATOM 893 O ASN A 64 16.564 11.499 -13.052 1.00 0.00 O ATOM 894 CB ASN A 64 15.621 13.625 -10.670 1.00 0.00 C ATOM 895 CG ASN A 64 14.399 14.357 -10.162 1.00 0.00 C ATOM 896 OD1 ASN A 64 14.112 14.353 -8.966 1.00 0.00 O ATOM 897 ND2 ASN A 64 13.664 14.977 -11.069 1.00 0.00 N ATOM 0 H ASN A 64 14.913 11.826 -9.104 1.00 0.00 H new ATOM 0 HA ASN A 64 14.479 12.247 -11.847 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.371 13.585 -9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.058 14.185 -11.497 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.821 15.478 -10.787 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.939 14.955 -12.051 1.00 0.00 H new ATOM 904 N LYS A 65 17.506 11.206 -11.029 1.00 0.00 N ATOM 905 CA LYS A 65 18.705 10.571 -11.562 1.00 0.00 C ATOM 906 C LYS A 65 18.336 9.238 -12.194 1.00 0.00 C ATOM 907 O LYS A 65 18.807 8.892 -13.272 1.00 0.00 O ATOM 908 CB LYS A 65 19.757 10.344 -10.464 1.00 0.00 C ATOM 909 CG LYS A 65 20.463 11.605 -9.981 1.00 0.00 C ATOM 910 CD LYS A 65 19.583 12.459 -9.078 1.00 0.00 C ATOM 911 CE LYS A 65 20.329 13.695 -8.593 1.00 0.00 C ATOM 912 NZ LYS A 65 19.465 14.588 -7.777 1.00 0.00 N ATOM 0 H LYS A 65 17.497 11.308 -10.014 1.00 0.00 H new ATOM 0 HA LYS A 65 19.135 11.235 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.274 9.867 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.506 9.646 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 65 21.368 11.326 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 65 20.774 12.195 -10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.686 12.761 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.255 11.869 -8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 65 21.192 13.388 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.711 14.247 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 20.014 15.416 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.655 14.903 -8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.121 14.071 -6.943 1.00 0.00 H new ATOM 926 N LEU A 66 17.459 8.516 -11.514 1.00 0.00 N ATOM 927 CA LEU A 66 17.025 7.192 -11.947 1.00 0.00 C ATOM 928 C LEU A 66 16.224 7.271 -13.247 1.00 0.00 C ATOM 929 O LEU A 66 16.214 6.333 -14.040 1.00 0.00 O ATOM 930 CB LEU A 66 16.191 6.542 -10.833 1.00 0.00 C ATOM 931 CG LEU A 66 16.982 5.862 -9.697 1.00 0.00 C ATOM 932 CD1 LEU A 66 18.280 6.591 -9.386 1.00 0.00 C ATOM 933 CD2 LEU A 66 16.140 5.779 -8.436 1.00 0.00 C ATOM 0 H LEU A 66 17.026 8.830 -10.645 1.00 0.00 H new ATOM 0 HA LEU A 66 17.905 6.579 -12.143 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.551 7.307 -10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.535 5.799 -11.286 1.00 0.00 H new ATOM 0 HG LEU A 66 17.230 4.859 -10.043 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.803 6.076 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 66 18.910 6.607 -10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.059 7.613 -9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.715 5.296 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.860 6.783 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.240 5.198 -8.637 1.00 0.00 H new ATOM 945 N GLN A 67 15.564 8.405 -13.459 1.00 0.00 N ATOM 946 CA GLN A 67 14.814 8.648 -14.685 1.00 0.00 C ATOM 947 C GLN A 67 15.786 8.833 -15.844 1.00 0.00 C ATOM 948 O GLN A 67 15.637 8.233 -16.911 1.00 0.00 O ATOM 949 CB GLN A 67 13.945 9.897 -14.521 1.00 0.00 C ATOM 950 CG GLN A 67 12.620 9.851 -15.269 1.00 0.00 C ATOM 951 CD GLN A 67 12.770 9.825 -16.777 1.00 0.00 C ATOM 952 OE1 GLN A 67 12.851 8.761 -17.391 1.00 0.00 O ATOM 953 NE2 GLN A 67 12.804 10.999 -17.385 1.00 0.00 N ATOM 0 H GLN A 67 15.534 9.176 -12.791 1.00 0.00 H new ATOM 0 HA GLN A 67 14.167 7.795 -14.893 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.743 10.046 -13.460 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.510 10.764 -14.863 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.065 8.967 -14.953 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.024 10.719 -14.987 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.734 11.858 -16.840 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.900 11.045 -18.399 1.00 0.00 H new ATOM 962 N ALA A 68 16.790 9.667 -15.622 1.00 0.00 N ATOM 963 CA ALA A 68 17.846 9.872 -16.605 1.00 0.00 C ATOM 964 C ALA A 68 18.577 8.560 -16.890 1.00 0.00 C ATOM 965 O ALA A 68 18.995 8.302 -18.021 1.00 0.00 O ATOM 966 CB ALA A 68 18.819 10.938 -16.127 1.00 0.00 C ATOM 0 H ALA A 68 16.897 10.215 -14.768 1.00 0.00 H new ATOM 0 HA ALA A 68 17.391 10.217 -17.534 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.601 11.078 -16.873 1.00 0.00 H new ATOM 0 HB2 ALA A 68 18.286 11.877 -15.979 1.00 0.00 H new ATOM 0 HB3 ALA A 68 19.269 10.624 -15.185 1.00 0.00 H new ATOM 972 N LEU A 69 18.698 7.725 -15.863 1.00 0.00 N ATOM 973 CA LEU A 69 19.343 6.421 -15.992 1.00 0.00 C ATOM 974 C LEU A 69 18.361 5.376 -16.520 1.00 0.00 C ATOM 975 O LEU A 69 18.639 4.178 -16.501 1.00 0.00 O ATOM 976 CB LEU A 69 19.908 5.967 -14.644 1.00 0.00 C ATOM 977 CG LEU A 69 20.963 6.892 -14.025 1.00 0.00 C ATOM 978 CD1 LEU A 69 21.453 6.332 -12.698 1.00 0.00 C ATOM 979 CD2 LEU A 69 22.129 7.095 -14.980 1.00 0.00 C ATOM 0 H LEU A 69 18.355 7.930 -14.924 1.00 0.00 H new ATOM 0 HA LEU A 69 20.161 6.521 -16.705 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.082 5.864 -13.940 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.346 4.977 -14.768 1.00 0.00 H new ATOM 0 HG LEU A 69 20.499 7.861 -13.841 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.201 7.002 -12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.614 6.243 -12.009 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.896 5.349 -12.859 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.865 7.754 -14.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.591 6.133 -15.200 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.768 7.544 -15.905 1.00 0.00 H new ATOM 991 N ASN A 70 17.210 5.837 -16.975 1.00 0.00 N ATOM 992 CA ASN A 70 16.240 4.981 -17.644 1.00 0.00 C ATOM 993 C ASN A 70 16.325 5.217 -19.148 1.00 0.00 C ATOM 994 O ASN A 70 16.538 4.289 -19.930 1.00 0.00 O ATOM 995 CB ASN A 70 14.827 5.298 -17.140 1.00 0.00 C ATOM 996 CG ASN A 70 13.756 4.398 -17.722 1.00 0.00 C ATOM 997 OD1 ASN A 70 13.265 4.628 -18.826 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.345 3.401 -16.957 1.00 0.00 N ATOM 0 H ASN A 70 16.920 6.811 -16.893 1.00 0.00 H new ATOM 0 HA ASN A 70 16.460 3.936 -17.426 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.811 5.212 -16.054 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.589 6.334 -17.381 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.594 2.789 -17.277 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.779 3.244 -16.047 1.00 0.00 H new ATOM 1005 N MET A 71 16.196 6.485 -19.529 1.00 0.00 N ATOM 1006 CA MET A 71 16.232 6.889 -20.934 1.00 0.00 C ATOM 1007 C MET A 71 17.576 6.585 -21.576 1.00 0.00 C ATOM 1008 O MET A 71 17.657 5.832 -22.549 1.00 0.00 O ATOM 1009 CB MET A 71 15.950 8.385 -21.062 1.00 0.00 C ATOM 1010 CG MET A 71 14.501 8.759 -20.828 1.00 0.00 C ATOM 1011 SD MET A 71 14.259 10.545 -20.711 1.00 0.00 S ATOM 1012 CE MET A 71 15.365 10.941 -19.354 1.00 0.00 C ATOM 0 H MET A 71 16.064 7.259 -18.877 1.00 0.00 H new ATOM 0 HA MET A 71 15.463 6.316 -21.452 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.574 8.925 -20.349 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.244 8.716 -22.058 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.891 8.365 -21.641 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.151 8.287 -19.910 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.030 11.857 -18.867 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.362 10.125 -18.632 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.375 11.082 -19.738 1.00 0.00 H new ATOM 1022 N ARG A 72 18.631 7.182 -21.037 1.00 0.00 N ATOM 1023 CA ARG A 72 19.956 7.043 -21.627 1.00 0.00 C ATOM 1024 C ARG A 72 20.485 5.625 -21.469 1.00 0.00 C ATOM 1025 O ARG A 72 21.308 5.179 -22.260 1.00 0.00 O ATOM 1026 CB ARG A 72 20.939 8.056 -21.037 1.00 0.00 C ATOM 1027 CG ARG A 72 21.509 9.005 -22.084 1.00 0.00 C ATOM 1028 CD ARG A 72 22.326 8.254 -23.128 1.00 0.00 C ATOM 1029 NE ARG A 72 22.481 9.010 -24.374 1.00 0.00 N ATOM 1030 CZ ARG A 72 22.865 8.462 -25.531 1.00 0.00 C ATOM 1031 NH1 ARG A 72 23.244 7.191 -25.577 1.00 0.00 N ATOM 1032 NH2 ARG A 72 22.892 9.190 -26.642 1.00 0.00 N ATOM 0 H ARG A 72 18.596 7.763 -20.199 1.00 0.00 H new ATOM 0 HA ARG A 72 19.860 7.251 -22.693 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.435 8.636 -20.264 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.757 7.522 -20.553 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.696 9.541 -22.573 1.00 0.00 H new ATOM 0 HG3 ARG A 72 22.136 9.752 -21.597 1.00 0.00 H new ATOM 0 HD2 ARG A 72 23.311 8.028 -22.719 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.844 7.300 -23.344 1.00 0.00 H new ATOM 0 HE ARG A 72 22.285 10.011 -24.357 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.243 6.627 -24.727 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.536 6.778 -26.463 1.00 0.00 H new ATOM 0 HH21 ARG A 72 22.619 10.172 -26.615 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.186 8.767 -27.522 1.00 0.00 H new ATOM 1046 N PHE A 73 20.007 4.918 -20.458 1.00 0.00 N ATOM 1047 CA PHE A 73 20.368 3.517 -20.273 1.00 0.00 C ATOM 1048 C PHE A 73 19.874 2.692 -21.456 1.00 0.00 C ATOM 1049 O PHE A 73 20.643 1.954 -22.076 1.00 0.00 O ATOM 1050 CB PHE A 73 19.778 2.987 -18.964 1.00 0.00 C ATOM 1051 CG PHE A 73 19.962 1.510 -18.748 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.229 0.948 -18.697 1.00 0.00 C ATOM 1053 CD2 PHE A 73 18.860 0.685 -18.589 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.390 -0.410 -18.493 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.016 -0.672 -18.383 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.282 -1.220 -18.334 1.00 0.00 C ATOM 0 H PHE A 73 19.369 5.288 -19.753 1.00 0.00 H new ATOM 0 HA PHE A 73 21.454 3.434 -20.219 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.235 3.522 -18.132 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.712 3.214 -18.943 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.098 1.577 -18.818 1.00 0.00 H new ATOM 0 HD2 PHE A 73 17.867 1.108 -18.627 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.381 -0.837 -18.458 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.148 -1.303 -18.260 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.406 -2.280 -18.172 1.00 0.00 H new ATOM 1066 N ALA A 74 18.597 2.851 -21.780 1.00 0.00 N ATOM 1067 CA ALA A 74 17.986 2.130 -22.886 1.00 0.00 C ATOM 1068 C ALA A 74 18.640 2.493 -24.218 1.00 0.00 C ATOM 1069 O ALA A 74 18.976 1.619 -25.017 1.00 0.00 O ATOM 1070 CB ALA A 74 16.498 2.429 -22.941 1.00 0.00 C ATOM 0 H ALA A 74 17.961 3.478 -21.287 1.00 0.00 H new ATOM 0 HA ALA A 74 18.137 1.064 -22.716 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.048 1.885 -23.772 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.030 2.118 -22.007 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.347 3.499 -23.083 1.00 0.00 H new ATOM 1076 N SER A 75 18.834 3.787 -24.438 1.00 0.00 N ATOM 1077 CA SER A 75 19.343 4.280 -25.710 1.00 0.00 C ATOM 1078 C SER A 75 20.813 3.925 -25.929 1.00 0.00 C ATOM 1079 O SER A 75 21.209 3.600 -27.045 1.00 0.00 O ATOM 1080 CB SER A 75 19.133 5.790 -25.807 1.00 0.00 C ATOM 1081 OG SER A 75 19.418 6.424 -24.572 1.00 0.00 O ATOM 0 H SER A 75 18.646 4.516 -23.749 1.00 0.00 H new ATOM 0 HA SER A 75 18.780 3.785 -26.501 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.775 6.200 -26.587 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.104 5.999 -26.098 1.00 0.00 H new ATOM 0 HG SER A 75 18.673 6.281 -23.951 1.00 0.00 H new ATOM 1087 N SER A 76 21.624 3.970 -24.874 1.00 0.00 N ATOM 1088 CA SER A 76 23.041 3.648 -25.008 1.00 0.00 C ATOM 1089 C SER A 76 23.226 2.197 -25.441 1.00 0.00 C ATOM 1090 O SER A 76 24.056 1.899 -26.297 1.00 0.00 O ATOM 1091 CB SER A 76 23.789 3.916 -23.701 1.00 0.00 C ATOM 1092 OG SER A 76 23.667 5.277 -23.322 1.00 0.00 O ATOM 0 H SER A 76 21.329 4.222 -23.931 1.00 0.00 H new ATOM 0 HA SER A 76 23.461 4.294 -25.779 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.392 3.277 -22.912 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.842 3.660 -23.820 1.00 0.00 H new ATOM 0 HG SER A 76 22.812 5.413 -22.862 1.00 0.00 H new ATOM 1098 N MET A 77 22.435 1.299 -24.865 1.00 0.00 N ATOM 1099 CA MET A 77 22.475 -0.104 -25.261 1.00 0.00 C ATOM 1100 C MET A 77 21.939 -0.258 -26.678 1.00 0.00 C ATOM 1101 O MET A 77 22.414 -1.089 -27.452 1.00 0.00 O ATOM 1102 CB MET A 77 21.654 -0.966 -24.302 1.00 0.00 C ATOM 1103 CG MET A 77 22.164 -0.954 -22.871 1.00 0.00 C ATOM 1104 SD MET A 77 21.193 -2.010 -21.782 1.00 0.00 S ATOM 1105 CE MET A 77 19.568 -1.269 -21.937 1.00 0.00 C ATOM 0 H MET A 77 21.763 1.515 -24.128 1.00 0.00 H new ATOM 0 HA MET A 77 23.511 -0.440 -25.225 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.621 -0.619 -24.312 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.649 -1.993 -24.667 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.204 -1.281 -22.857 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.146 0.068 -22.491 1.00 0.00 H new ATOM 0 HE1 MET A 77 18.891 -1.723 -21.214 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.637 -0.198 -21.747 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.187 -1.435 -22.945 1.00 0.00 H new ATOM 1115 N ALA A 78 20.956 0.570 -27.009 1.00 0.00 N ATOM 1116 CA ALA A 78 20.347 0.558 -28.329 1.00 0.00 C ATOM 1117 C ALA A 78 21.361 0.925 -29.411 1.00 0.00 C ATOM 1118 O ALA A 78 21.432 0.272 -30.448 1.00 0.00 O ATOM 1119 CB ALA A 78 19.165 1.509 -28.366 1.00 0.00 C ATOM 0 H ALA A 78 20.562 1.264 -26.373 1.00 0.00 H new ATOM 0 HA ALA A 78 19.996 -0.454 -28.532 1.00 0.00 H new ATOM 0 HB1 ALA A 78 18.716 1.493 -29.359 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.425 1.199 -27.628 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.504 2.520 -28.138 1.00 0.00 H new ATOM 1125 N GLU A 79 22.151 1.963 -29.153 1.00 0.00 N ATOM 1126 CA GLU A 79 23.166 2.413 -30.106 1.00 0.00 C ATOM 1127 C GLU A 79 24.224 1.338 -30.325 1.00 0.00 C ATOM 1128 O GLU A 79 24.822 1.237 -31.397 1.00 0.00 O ATOM 1129 CB GLU A 79 23.821 3.706 -29.619 1.00 0.00 C ATOM 1130 CG GLU A 79 22.828 4.830 -29.399 1.00 0.00 C ATOM 1131 CD GLU A 79 23.499 6.165 -29.162 1.00 0.00 C ATOM 1132 OE1 GLU A 79 23.892 6.446 -28.010 1.00 0.00 O ATOM 1133 OE2 GLU A 79 23.636 6.945 -30.128 1.00 0.00 O ATOM 0 H GLU A 79 22.110 2.510 -28.293 1.00 0.00 H new ATOM 0 HA GLU A 79 22.672 2.606 -31.058 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.350 3.509 -28.687 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.566 4.025 -30.347 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.174 4.906 -30.267 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.196 4.589 -28.544 1.00 0.00 H new ATOM 1140 N ILE A 80 24.448 0.537 -29.299 1.00 0.00 N ATOM 1141 CA ILE A 80 25.360 -0.595 -29.395 1.00 0.00 C ATOM 1142 C ILE A 80 24.736 -1.698 -30.249 1.00 0.00 C ATOM 1143 O ILE A 80 25.382 -2.269 -31.127 1.00 0.00 O ATOM 1144 CB ILE A 80 25.712 -1.145 -27.996 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.374 -0.049 -27.157 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.626 -2.356 -28.108 1.00 0.00 C ATOM 1147 CD1 ILE A 80 26.592 -0.438 -25.713 1.00 0.00 C ATOM 0 H ILE A 80 24.010 0.648 -28.385 1.00 0.00 H new ATOM 0 HA ILE A 80 26.281 -0.251 -29.867 1.00 0.00 H new ATOM 0 HB ILE A 80 24.792 -1.460 -27.503 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.334 0.208 -27.604 1.00 0.00 H new ATOM 0 HG13 ILE A 80 25.755 0.848 -27.193 1.00 0.00 H new ATOM 0 HG21 ILE A 80 26.862 -2.728 -27.111 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.125 -3.139 -28.678 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.547 -2.071 -28.616 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.065 0.388 -25.181 1.00 0.00 H new ATOM 0 HD12 ILE A 80 25.633 -0.667 -25.249 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.236 -1.316 -25.666 1.00 0.00 H new ATOM 1159 N ALA A 81 23.463 -1.969 -29.998 1.00 0.00 N ATOM 1160 CA ALA A 81 22.707 -2.946 -30.776 1.00 0.00 C ATOM 1161 C ALA A 81 22.516 -2.475 -32.219 1.00 0.00 C ATOM 1162 O ALA A 81 22.271 -3.281 -33.114 1.00 0.00 O ATOM 1163 CB ALA A 81 21.363 -3.211 -30.111 1.00 0.00 C ATOM 0 H ALA A 81 22.926 -1.522 -29.255 1.00 0.00 H new ATOM 0 HA ALA A 81 23.274 -3.876 -30.807 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.805 -3.941 -30.697 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.525 -3.600 -29.106 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.796 -2.282 -30.053 1.00 0.00 H new ATOM 1169 N ALA A 82 22.649 -1.174 -32.438 1.00 0.00 N ATOM 1170 CA ALA A 82 22.539 -0.599 -33.776 1.00 0.00 C ATOM 1171 C ALA A 82 23.685 -1.065 -34.670 1.00 0.00 C ATOM 1172 O ALA A 82 23.610 -0.968 -35.896 1.00 0.00 O ATOM 1173 CB ALA A 82 22.535 0.919 -33.696 1.00 0.00 C ATOM 0 H ALA A 82 22.834 -0.492 -31.703 1.00 0.00 H new ATOM 0 HA ALA A 82 21.600 -0.940 -34.213 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.453 1.336 -34.700 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.688 1.249 -33.095 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.462 1.262 -33.236 1.00 0.00 H new ATOM 1241 N SER A 89 21.136 -8.924 -36.982 1.00 0.00 N ATOM 1242 CA SER A 89 19.981 -9.578 -36.390 1.00 0.00 C ATOM 1243 C SER A 89 19.483 -8.770 -35.194 1.00 0.00 C ATOM 1244 O SER A 89 19.326 -9.301 -34.092 1.00 0.00 O ATOM 1245 CB SER A 89 20.342 -11.004 -35.947 1.00 0.00 C ATOM 1246 OG SER A 89 20.803 -11.784 -37.039 1.00 0.00 O ATOM 0 HA SER A 89 19.190 -9.635 -37.137 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.112 -10.963 -35.176 1.00 0.00 H new ATOM 0 HB3 SER A 89 19.469 -11.480 -35.501 1.00 0.00 H new ATOM 0 HG SER A 89 21.174 -11.195 -37.728 1.00 0.00 H new ATOM 1252 N LEU A 90 19.248 -7.477 -35.418 1.00 0.00 N ATOM 1253 CA LEU A 90 18.812 -6.571 -34.358 1.00 0.00 C ATOM 1254 C LEU A 90 17.539 -7.073 -33.673 1.00 0.00 C ATOM 1255 O LEU A 90 17.379 -6.899 -32.466 1.00 0.00 O ATOM 1256 CB LEU A 90 18.613 -5.152 -34.915 1.00 0.00 C ATOM 1257 CG LEU A 90 18.446 -4.029 -33.876 1.00 0.00 C ATOM 1258 CD1 LEU A 90 16.989 -3.806 -33.522 1.00 0.00 C ATOM 1259 CD2 LEU A 90 19.249 -4.328 -32.621 1.00 0.00 C ATOM 0 H LEU A 90 19.353 -7.033 -36.330 1.00 0.00 H new ATOM 0 HA LEU A 90 19.596 -6.541 -33.601 1.00 0.00 H new ATOM 0 HB2 LEU A 90 19.468 -4.909 -35.547 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.733 -5.157 -35.558 1.00 0.00 H new ATOM 0 HG LEU A 90 18.827 -3.113 -34.328 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.912 -3.006 -32.786 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.435 -3.529 -34.419 1.00 0.00 H new ATOM 0 HD13 LEU A 90 16.571 -4.723 -33.106 1.00 0.00 H new ATOM 0 HD21 LEU A 90 19.115 -3.520 -31.902 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.904 -5.265 -32.183 1.00 0.00 H new ATOM 0 HD23 LEU A 90 20.305 -4.414 -32.877 1.00 0.00 H new ATOM 1271 N SER A 91 16.658 -7.714 -34.435 1.00 0.00 N ATOM 1272 CA SER A 91 15.434 -8.288 -33.883 1.00 0.00 C ATOM 1273 C SER A 91 15.755 -9.245 -32.729 1.00 0.00 C ATOM 1274 O SER A 91 15.059 -9.276 -31.712 1.00 0.00 O ATOM 1275 CB SER A 91 14.674 -9.019 -34.988 1.00 0.00 C ATOM 1276 OG SER A 91 14.533 -8.187 -36.129 1.00 0.00 O ATOM 0 H SER A 91 16.769 -7.850 -35.440 1.00 0.00 H new ATOM 0 HA SER A 91 14.812 -7.485 -33.488 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.204 -9.932 -35.260 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.691 -9.318 -34.625 1.00 0.00 H new ATOM 0 HG SER A 91 14.046 -8.671 -36.828 1.00 0.00 H new ATOM 1282 N THR A 92 16.831 -10.002 -32.889 1.00 0.00 N ATOM 1283 CA THR A 92 17.296 -10.912 -31.857 1.00 0.00 C ATOM 1284 C THR A 92 18.025 -10.139 -30.758 1.00 0.00 C ATOM 1285 O THR A 92 17.841 -10.396 -29.570 1.00 0.00 O ATOM 1286 CB THR A 92 18.246 -11.967 -32.462 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.625 -12.584 -33.598 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.621 -13.030 -31.439 1.00 0.00 C ATOM 0 H THR A 92 17.402 -10.002 -33.734 1.00 0.00 H new ATOM 0 HA THR A 92 16.430 -11.415 -31.427 1.00 0.00 H new ATOM 0 HB THR A 92 19.160 -11.460 -32.772 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.232 -13.252 -33.980 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.291 -13.757 -31.898 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.121 -12.560 -30.593 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.720 -13.536 -31.092 1.00 0.00 H new ATOM 1296 N LYS A 93 18.823 -9.166 -31.177 1.00 0.00 N ATOM 1297 CA LYS A 93 19.668 -8.401 -30.269 1.00 0.00 C ATOM 1298 C LYS A 93 18.852 -7.560 -29.287 1.00 0.00 C ATOM 1299 O LYS A 93 19.103 -7.596 -28.083 1.00 0.00 O ATOM 1300 CB LYS A 93 20.618 -7.516 -31.078 1.00 0.00 C ATOM 1301 CG LYS A 93 21.676 -8.310 -31.827 1.00 0.00 C ATOM 1302 CD LYS A 93 22.311 -7.506 -32.951 1.00 0.00 C ATOM 1303 CE LYS A 93 22.990 -6.246 -32.458 1.00 0.00 C ATOM 1304 NZ LYS A 93 23.676 -5.533 -33.567 1.00 0.00 N ATOM 0 H LYS A 93 18.903 -8.885 -32.154 1.00 0.00 H new ATOM 0 HA LYS A 93 20.245 -9.108 -29.672 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.040 -6.929 -31.791 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.108 -6.810 -30.407 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.450 -8.629 -31.129 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.226 -9.213 -32.239 1.00 0.00 H new ATOM 0 HD2 LYS A 93 23.041 -8.128 -33.469 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.545 -7.240 -33.679 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.251 -5.587 -32.001 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.714 -6.500 -31.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 24.699 -5.507 -33.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.498 -6.031 -34.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 23.311 -4.561 -33.633 1.00 0.00 H new ATOM 1318 N THR A 94 17.878 -6.809 -29.788 1.00 0.00 N ATOM 1319 CA THR A 94 17.050 -5.971 -28.923 1.00 0.00 C ATOM 1320 C THR A 94 16.242 -6.818 -27.928 1.00 0.00 C ATOM 1321 O THR A 94 15.959 -6.376 -26.814 1.00 0.00 O ATOM 1322 CB THR A 94 16.101 -5.062 -29.743 1.00 0.00 C ATOM 1323 OG1 THR A 94 15.381 -4.181 -28.873 1.00 0.00 O ATOM 1324 CG2 THR A 94 15.112 -5.881 -30.558 1.00 0.00 C ATOM 0 H THR A 94 17.642 -6.762 -30.779 1.00 0.00 H new ATOM 0 HA THR A 94 17.730 -5.332 -28.360 1.00 0.00 H new ATOM 0 HB THR A 94 16.717 -4.480 -30.428 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.493 -4.004 -29.249 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.462 -5.211 -31.121 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.656 -6.525 -31.249 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.509 -6.494 -29.889 1.00 0.00 H new ATOM 1332 N SER A 95 15.891 -8.036 -28.328 1.00 0.00 N ATOM 1333 CA SER A 95 15.133 -8.936 -27.477 1.00 0.00 C ATOM 1334 C SER A 95 16.058 -9.656 -26.492 1.00 0.00 C ATOM 1335 O SER A 95 15.626 -10.131 -25.436 1.00 0.00 O ATOM 1336 CB SER A 95 14.400 -9.943 -28.359 1.00 0.00 C ATOM 1337 OG SER A 95 13.651 -9.280 -29.370 1.00 0.00 O ATOM 0 H SER A 95 16.123 -8.421 -29.244 1.00 0.00 H new ATOM 0 HA SER A 95 14.410 -8.365 -26.894 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.119 -10.621 -28.819 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.734 -10.552 -27.747 1.00 0.00 H new ATOM 0 HG SER A 95 14.160 -9.280 -30.207 1.00 0.00 H new ATOM 1343 N SER A 96 17.332 -9.723 -26.851 1.00 0.00 N ATOM 1344 CA SER A 96 18.345 -10.350 -26.019 1.00 0.00 C ATOM 1345 C SER A 96 18.519 -9.589 -24.708 1.00 0.00 C ATOM 1346 O SER A 96 18.485 -10.180 -23.624 1.00 0.00 O ATOM 1347 CB SER A 96 19.671 -10.401 -26.784 1.00 0.00 C ATOM 1348 OG SER A 96 20.757 -10.673 -25.922 1.00 0.00 O ATOM 0 H SER A 96 17.691 -9.344 -27.727 1.00 0.00 H new ATOM 0 HA SER A 96 18.026 -11.364 -25.778 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.617 -11.168 -27.556 1.00 0.00 H new ATOM 0 HB3 SER A 96 19.837 -9.450 -27.291 1.00 0.00 H new ATOM 0 HG SER A 96 21.515 -10.100 -26.161 1.00 0.00 H new ATOM 1354 N ILE A 97 18.680 -8.274 -24.824 1.00 0.00 N ATOM 1355 CA ILE A 97 18.913 -7.409 -23.673 1.00 0.00 C ATOM 1356 C ILE A 97 17.842 -7.605 -22.607 1.00 0.00 C ATOM 1357 O ILE A 97 18.149 -7.814 -21.436 1.00 0.00 O ATOM 1358 CB ILE A 97 18.946 -5.924 -24.093 1.00 0.00 C ATOM 1359 CG1 ILE A 97 20.045 -5.693 -25.135 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.162 -5.032 -22.877 1.00 0.00 C ATOM 1361 CD1 ILE A 97 20.075 -4.283 -25.676 1.00 0.00 C ATOM 0 H ILE A 97 18.653 -7.780 -25.716 1.00 0.00 H new ATOM 0 HA ILE A 97 19.882 -7.686 -23.257 1.00 0.00 H new ATOM 0 HB ILE A 97 17.986 -5.665 -24.540 1.00 0.00 H new ATOM 0 HG12 ILE A 97 21.012 -5.923 -24.688 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.902 -6.388 -25.962 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.183 -3.988 -23.190 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.349 -5.182 -22.167 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.109 -5.287 -22.402 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.877 -4.191 -26.408 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.121 -4.056 -26.152 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.248 -3.583 -24.858 1.00 0.00 H new ATOM 1373 N ALA A 98 16.585 -7.575 -23.030 1.00 0.00 N ATOM 1374 CA ALA A 98 15.464 -7.680 -22.110 1.00 0.00 C ATOM 1375 C ALA A 98 15.456 -9.017 -21.377 1.00 0.00 C ATOM 1376 O ALA A 98 15.150 -9.075 -20.184 1.00 0.00 O ATOM 1377 CB ALA A 98 14.162 -7.472 -22.856 1.00 0.00 C ATOM 0 H ALA A 98 16.317 -7.478 -24.009 1.00 0.00 H new ATOM 0 HA ALA A 98 15.574 -6.900 -21.357 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.327 -7.552 -22.160 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.159 -6.483 -23.314 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.062 -8.231 -23.632 1.00 0.00 H new ATOM 1383 N SER A 99 15.817 -10.089 -22.075 1.00 0.00 N ATOM 1384 CA SER A 99 15.815 -11.401 -21.490 1.00 0.00 C ATOM 1385 C SER A 99 16.955 -11.536 -20.487 1.00 0.00 C ATOM 1386 O SER A 99 16.790 -12.116 -19.415 1.00 0.00 O ATOM 1387 CB SER A 99 15.938 -12.423 -22.607 1.00 0.00 C ATOM 1388 OG SER A 99 14.881 -12.275 -23.544 1.00 0.00 O ATOM 0 H SER A 99 16.114 -10.062 -23.050 1.00 0.00 H new ATOM 0 HA SER A 99 14.885 -11.571 -20.947 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.897 -12.303 -23.112 1.00 0.00 H new ATOM 0 HB3 SER A 99 15.921 -13.429 -22.189 1.00 0.00 H new ATOM 0 HG SER A 99 15.113 -11.577 -24.192 1.00 0.00 H new ATOM 1394 N ALA A 100 18.102 -10.964 -20.835 1.00 0.00 N ATOM 1395 CA ALA A 100 19.251 -10.955 -19.946 1.00 0.00 C ATOM 1396 C ALA A 100 18.971 -10.081 -18.725 1.00 0.00 C ATOM 1397 O ALA A 100 19.353 -10.425 -17.612 1.00 0.00 O ATOM 1398 CB ALA A 100 20.488 -10.463 -20.681 1.00 0.00 C ATOM 0 H ALA A 100 18.258 -10.500 -21.730 1.00 0.00 H new ATOM 0 HA ALA A 100 19.435 -11.974 -19.607 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.339 -10.463 -20.000 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.697 -11.122 -21.523 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.315 -9.451 -21.047 1.00 0.00 H new ATOM 1404 N MET A 101 18.284 -8.956 -18.943 1.00 0.00 N ATOM 1405 CA MET A 101 17.913 -8.052 -17.859 1.00 0.00 C ATOM 1406 C MET A 101 16.975 -8.737 -16.875 1.00 0.00 C ATOM 1407 O MET A 101 17.171 -8.660 -15.661 1.00 0.00 O ATOM 1408 CB MET A 101 17.248 -6.803 -18.425 1.00 0.00 C ATOM 1409 CG MET A 101 18.228 -5.700 -18.786 1.00 0.00 C ATOM 1410 SD MET A 101 17.526 -4.497 -19.930 1.00 0.00 S ATOM 1411 CE MET A 101 15.883 -4.320 -19.254 1.00 0.00 C ATOM 0 H MET A 101 17.974 -8.652 -19.866 1.00 0.00 H new ATOM 0 HA MET A 101 18.821 -7.768 -17.327 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.679 -7.076 -19.313 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.535 -6.419 -17.695 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.546 -5.189 -17.877 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.119 -6.142 -19.231 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.366 -3.505 -19.762 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.328 -5.247 -19.398 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.950 -4.099 -18.189 1.00 0.00 H new ATOM 1421 N SER A 102 15.959 -9.407 -17.410 1.00 0.00 N ATOM 1422 CA SER A 102 15.005 -10.150 -16.596 1.00 0.00 C ATOM 1423 C SER A 102 15.738 -11.181 -15.742 1.00 0.00 C ATOM 1424 O SER A 102 15.561 -11.246 -14.525 1.00 0.00 O ATOM 1425 CB SER A 102 13.982 -10.839 -17.510 1.00 0.00 C ATOM 1426 OG SER A 102 12.967 -11.484 -16.765 1.00 0.00 O ATOM 0 H SER A 102 15.775 -9.450 -18.412 1.00 0.00 H new ATOM 0 HA SER A 102 14.481 -9.463 -15.931 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.533 -10.101 -18.175 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.490 -11.569 -18.141 1.00 0.00 H new ATOM 0 HG SER A 102 12.332 -11.910 -17.378 1.00 0.00 H new ATOM 1432 N ASN A 103 16.586 -11.952 -16.401 1.00 0.00 N ATOM 1433 CA ASN A 103 17.379 -12.989 -15.753 1.00 0.00 C ATOM 1434 C ASN A 103 18.337 -12.395 -14.717 1.00 0.00 C ATOM 1435 O ASN A 103 18.481 -12.930 -13.620 1.00 0.00 O ATOM 1436 CB ASN A 103 18.152 -13.748 -16.837 1.00 0.00 C ATOM 1437 CG ASN A 103 19.101 -14.795 -16.298 1.00 0.00 C ATOM 1438 OD1 ASN A 103 18.852 -15.421 -15.270 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.205 -14.989 -17.005 1.00 0.00 N ATOM 0 H ASN A 103 16.746 -11.878 -17.406 1.00 0.00 H new ATOM 0 HA ASN A 103 16.718 -13.670 -15.217 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.440 -14.229 -17.507 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.718 -13.032 -17.434 1.00 0.00 H new ATOM 0 HD21 ASN A 103 20.890 -15.681 -16.702 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.370 -14.446 -17.853 1.00 0.00 H new ATOM 1446 N ALA A 104 18.973 -11.281 -15.058 1.00 0.00 N ATOM 1447 CA ALA A 104 19.949 -10.651 -14.176 1.00 0.00 C ATOM 1448 C ALA A 104 19.296 -10.101 -12.913 1.00 0.00 C ATOM 1449 O ALA A 104 19.858 -10.200 -11.819 1.00 0.00 O ATOM 1450 CB ALA A 104 20.689 -9.546 -14.908 1.00 0.00 C ATOM 0 H ALA A 104 18.830 -10.793 -15.942 1.00 0.00 H new ATOM 0 HA ALA A 104 20.662 -11.418 -13.874 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.413 -9.086 -14.236 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.208 -9.965 -15.770 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.977 -8.792 -15.245 1.00 0.00 H new ATOM 1456 N PHE A 105 18.111 -9.523 -13.061 1.00 0.00 N ATOM 1457 CA PHE A 105 17.376 -8.993 -11.920 1.00 0.00 C ATOM 1458 C PHE A 105 16.980 -10.143 -11.000 1.00 0.00 C ATOM 1459 O PHE A 105 16.974 -10.016 -9.772 1.00 0.00 O ATOM 1460 CB PHE A 105 16.134 -8.232 -12.400 1.00 0.00 C ATOM 1461 CG PHE A 105 15.712 -7.114 -11.489 1.00 0.00 C ATOM 1462 CD1 PHE A 105 16.399 -5.910 -11.489 1.00 0.00 C ATOM 1463 CD2 PHE A 105 14.633 -7.262 -10.637 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.014 -4.877 -10.659 1.00 0.00 C ATOM 1465 CE2 PHE A 105 14.243 -6.232 -9.803 1.00 0.00 C ATOM 1466 CZ PHE A 105 14.936 -5.038 -9.814 1.00 0.00 C ATOM 0 H PHE A 105 17.639 -9.409 -13.958 1.00 0.00 H new ATOM 0 HA PHE A 105 18.008 -8.297 -11.368 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.331 -7.824 -13.391 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.307 -8.935 -12.503 1.00 0.00 H new ATOM 0 HD1 PHE A 105 17.246 -5.779 -12.146 1.00 0.00 H new ATOM 0 HD2 PHE A 105 14.088 -8.194 -10.623 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.556 -3.943 -10.671 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.397 -6.361 -9.144 1.00 0.00 H new ATOM 0 HZ PHE A 105 14.634 -4.231 -9.162 1.00 0.00 H new ATOM 1476 N LEU A 106 16.684 -11.277 -11.620 1.00 0.00 N ATOM 1477 CA LEU A 106 16.350 -12.501 -10.911 1.00 0.00 C ATOM 1478 C LEU A 106 17.522 -13.014 -10.075 1.00 0.00 C ATOM 1479 O LEU A 106 17.324 -13.528 -8.976 1.00 0.00 O ATOM 1480 CB LEU A 106 15.912 -13.570 -11.914 1.00 0.00 C ATOM 1481 CG LEU A 106 14.481 -13.429 -12.437 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.183 -14.520 -13.448 1.00 0.00 C ATOM 1483 CD2 LEU A 106 13.481 -13.481 -11.291 1.00 0.00 C ATOM 0 H LEU A 106 16.669 -11.372 -12.635 1.00 0.00 H new ATOM 0 HA LEU A 106 15.533 -12.280 -10.225 1.00 0.00 H new ATOM 0 HB2 LEU A 106 16.595 -13.550 -12.763 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.015 -14.549 -11.445 1.00 0.00 H new ATOM 0 HG LEU A 106 14.387 -12.460 -12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.162 -14.409 -13.813 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.878 -14.441 -14.284 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.295 -15.495 -12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.470 -13.379 -11.685 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.573 -14.434 -10.771 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.683 -12.667 -10.595 1.00 0.00 H new ATOM 1495 N GLN A 107 18.740 -12.858 -10.579 1.00 0.00 N ATOM 1496 CA GLN A 107 19.910 -13.425 -9.905 1.00 0.00 C ATOM 1497 C GLN A 107 20.453 -12.488 -8.835 1.00 0.00 C ATOM 1498 O GLN A 107 21.372 -12.845 -8.097 1.00 0.00 O ATOM 1499 CB GLN A 107 21.019 -13.745 -10.909 1.00 0.00 C ATOM 1500 CG GLN A 107 20.535 -14.521 -12.121 1.00 0.00 C ATOM 1501 CD GLN A 107 19.664 -15.706 -11.754 1.00 0.00 C ATOM 1502 OE1 GLN A 107 19.864 -16.356 -10.727 1.00 0.00 O ATOM 1503 NE2 GLN A 107 18.672 -15.972 -12.581 1.00 0.00 N ATOM 0 H GLN A 107 18.946 -12.351 -11.440 1.00 0.00 H new ATOM 0 HA GLN A 107 19.582 -14.347 -9.424 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.475 -12.813 -11.243 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.798 -14.319 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 107 19.974 -13.852 -12.774 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.397 -14.872 -12.689 1.00 0.00 H new ATOM 0 HE21 GLN A 107 18.543 -15.408 -13.421 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.034 -16.742 -12.381 1.00 0.00 H new ATOM 1512 N THR A 108 19.901 -11.292 -8.756 1.00 0.00 N ATOM 1513 CA THR A 108 20.352 -10.325 -7.781 1.00 0.00 C ATOM 1514 C THR A 108 19.339 -10.173 -6.656 1.00 0.00 C ATOM 1515 O THR A 108 19.673 -10.309 -5.479 1.00 0.00 O ATOM 1516 CB THR A 108 20.611 -8.961 -8.442 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.600 -8.694 -9.423 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.982 -8.930 -9.096 1.00 0.00 C ATOM 0 H THR A 108 19.141 -10.970 -9.355 1.00 0.00 H new ATOM 0 HA THR A 108 21.287 -10.692 -7.359 1.00 0.00 H new ATOM 0 HB THR A 108 20.578 -8.193 -7.669 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.768 -9.236 -10.222 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.143 -7.956 -9.557 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.749 -9.106 -8.342 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.039 -9.706 -9.859 1.00 0.00 H new ATOM 1526 N THR A 109 18.097 -9.922 -7.029 1.00 0.00 N ATOM 1527 CA THR A 109 17.048 -9.658 -6.060 1.00 0.00 C ATOM 1528 C THR A 109 16.211 -10.906 -5.789 1.00 0.00 C ATOM 1529 O THR A 109 15.721 -11.115 -4.678 1.00 0.00 O ATOM 1530 CB THR A 109 16.128 -8.530 -6.565 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.370 -8.983 -7.695 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.949 -7.320 -6.973 1.00 0.00 C ATOM 0 H THR A 109 17.789 -9.895 -8.001 1.00 0.00 H new ATOM 0 HA THR A 109 17.529 -9.354 -5.130 1.00 0.00 H new ATOM 0 HB THR A 109 15.452 -8.252 -5.756 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.981 -9.299 -8.393 1.00 0.00 H new ATOM 0 HG21 THR A 109 16.284 -6.532 -7.327 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.515 -6.958 -6.115 1.00 0.00 H new ATOM 0 HG23 THR A 109 17.638 -7.600 -7.770 1.00 0.00 H new ATOM 1540 N GLY A 110 16.064 -11.740 -6.811 1.00 0.00 N ATOM 1541 CA GLY A 110 15.184 -12.886 -6.716 1.00 0.00 C ATOM 1542 C GLY A 110 13.815 -12.570 -7.275 1.00 0.00 C ATOM 1543 O GLY A 110 12.951 -13.443 -7.386 1.00 0.00 O ATOM 0 H GLY A 110 16.541 -11.641 -7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.617 -13.726 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.093 -13.193 -5.674 1.00 0.00 H new ATOM 1547 N VAL A 111 13.624 -11.309 -7.632 1.00 0.00 N ATOM 1548 CA VAL A 111 12.369 -10.840 -8.193 1.00 0.00 C ATOM 1549 C VAL A 111 12.610 -10.343 -9.608 1.00 0.00 C ATOM 1550 O VAL A 111 13.739 -10.008 -9.964 1.00 0.00 O ATOM 1551 CB VAL A 111 11.767 -9.690 -7.345 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.343 -9.365 -7.775 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.810 -10.031 -5.864 1.00 0.00 C ATOM 0 H VAL A 111 14.335 -10.583 -7.540 1.00 0.00 H new ATOM 0 HA VAL A 111 11.663 -11.670 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 111 12.378 -8.804 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.953 -8.555 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.340 -9.060 -8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.716 -10.248 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.382 -9.210 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.235 -10.939 -5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.844 -10.189 -5.557 1.00 0.00 H new ATOM 1563 N VAL A 112 11.570 -10.321 -10.418 1.00 0.00 N ATOM 1564 CA VAL A 112 11.674 -9.763 -11.750 1.00 0.00 C ATOM 1565 C VAL A 112 10.813 -8.506 -11.870 1.00 0.00 C ATOM 1566 O VAL A 112 9.630 -8.511 -11.520 1.00 0.00 O ATOM 1567 CB VAL A 112 11.294 -10.786 -12.848 1.00 0.00 C ATOM 1568 CG1 VAL A 112 9.861 -11.274 -12.685 1.00 0.00 C ATOM 1569 CG2 VAL A 112 11.518 -10.191 -14.235 1.00 0.00 C ATOM 0 H VAL A 112 10.647 -10.682 -10.178 1.00 0.00 H new ATOM 0 HA VAL A 112 12.719 -9.497 -11.907 1.00 0.00 H new ATOM 0 HB VAL A 112 11.946 -11.653 -12.738 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.629 -11.991 -13.473 1.00 0.00 H new ATOM 0 HG12 VAL A 112 9.749 -11.754 -11.713 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.178 -10.427 -12.752 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.246 -10.924 -14.994 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.901 -9.300 -14.353 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.568 -9.922 -14.350 1.00 0.00 H new ATOM 1579 N ASN A 113 11.415 -7.423 -12.333 1.00 0.00 N ATOM 1580 CA ASN A 113 10.688 -6.178 -12.529 1.00 0.00 C ATOM 1581 C ASN A 113 10.374 -5.994 -14.010 1.00 0.00 C ATOM 1582 O ASN A 113 11.197 -5.497 -14.777 1.00 0.00 O ATOM 1583 CB ASN A 113 11.492 -4.988 -11.984 1.00 0.00 C ATOM 1584 CG ASN A 113 10.699 -3.689 -11.960 1.00 0.00 C ATOM 1585 OD1 ASN A 113 9.871 -3.429 -12.832 1.00 0.00 O ATOM 1586 ND2 ASN A 113 10.941 -2.870 -10.947 1.00 0.00 N ATOM 0 H ASN A 113 12.404 -7.380 -12.580 1.00 0.00 H new ATOM 0 HA ASN A 113 9.750 -6.224 -11.976 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.830 -5.218 -10.974 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.384 -4.850 -12.595 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.433 -1.989 -10.871 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.635 -3.121 -10.243 1.00 0.00 H new ATOM 1593 N GLN A 114 9.189 -6.438 -14.407 1.00 0.00 N ATOM 1594 CA GLN A 114 8.771 -6.383 -15.803 1.00 0.00 C ATOM 1595 C GLN A 114 8.487 -4.942 -16.257 1.00 0.00 C ATOM 1596 O GLN A 114 8.980 -4.537 -17.309 1.00 0.00 O ATOM 1597 CB GLN A 114 7.544 -7.272 -16.030 1.00 0.00 C ATOM 1598 CG GLN A 114 7.227 -7.529 -17.496 1.00 0.00 C ATOM 1599 CD GLN A 114 8.318 -8.313 -18.200 1.00 0.00 C ATOM 1600 OE1 GLN A 114 8.314 -9.544 -18.190 1.00 0.00 O ATOM 1601 NE2 GLN A 114 9.245 -7.610 -18.833 1.00 0.00 N ATOM 0 H GLN A 114 8.496 -6.843 -13.778 1.00 0.00 H new ATOM 0 HA GLN A 114 9.595 -6.760 -16.409 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.703 -8.228 -15.531 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.679 -6.806 -15.558 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.287 -8.075 -17.570 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.083 -6.576 -18.005 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.212 -6.591 -18.817 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.992 -8.088 -19.337 1.00 0.00 H new ATOM 1610 N PRO A 115 7.676 -4.157 -15.496 1.00 0.00 N ATOM 1611 CA PRO A 115 7.396 -2.748 -15.799 1.00 0.00 C ATOM 1612 C PRO A 115 8.624 -1.973 -16.264 1.00 0.00 C ATOM 1613 O PRO A 115 8.597 -1.315 -17.305 1.00 0.00 O ATOM 1614 CB PRO A 115 6.910 -2.166 -14.460 1.00 0.00 C ATOM 1615 CG PRO A 115 6.822 -3.313 -13.499 1.00 0.00 C ATOM 1616 CD PRO A 115 6.921 -4.576 -14.307 1.00 0.00 C ATOM 0 HA PRO A 115 6.677 -2.671 -16.615 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.601 -1.407 -14.094 1.00 0.00 H new ATOM 0 HB3 PRO A 115 5.940 -1.684 -14.577 1.00 0.00 H new ATOM 0 HG2 PRO A 115 7.625 -3.262 -12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.883 -3.282 -12.947 1.00 0.00 H new ATOM 0 HD2 PRO A 115 7.437 -5.365 -13.760 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.937 -4.963 -14.571 1.00 0.00 H new ATOM 1624 N PHE A 116 9.704 -2.079 -15.501 1.00 0.00 N ATOM 1625 CA PHE A 116 10.899 -1.299 -15.754 1.00 0.00 C ATOM 1626 C PHE A 116 11.555 -1.758 -17.044 1.00 0.00 C ATOM 1627 O PHE A 116 12.087 -0.953 -17.811 1.00 0.00 O ATOM 1628 CB PHE A 116 11.871 -1.442 -14.584 1.00 0.00 C ATOM 1629 CG PHE A 116 12.829 -0.298 -14.455 1.00 0.00 C ATOM 1630 CD1 PHE A 116 12.397 0.911 -13.941 1.00 0.00 C ATOM 1631 CD2 PHE A 116 14.151 -0.429 -14.842 1.00 0.00 C ATOM 1632 CE1 PHE A 116 13.271 1.974 -13.812 1.00 0.00 C ATOM 1633 CE2 PHE A 116 15.031 0.629 -14.716 1.00 0.00 C ATOM 1634 CZ PHE A 116 14.590 1.832 -14.201 1.00 0.00 C ATOM 0 H PHE A 116 9.773 -2.703 -14.697 1.00 0.00 H new ATOM 0 HA PHE A 116 10.625 -0.249 -15.856 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.302 -1.534 -13.659 1.00 0.00 H new ATOM 0 HB3 PHE A 116 12.436 -2.366 -14.703 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.367 1.026 -13.637 1.00 0.00 H new ATOM 0 HD2 PHE A 116 14.499 -1.368 -15.247 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.924 2.914 -13.408 1.00 0.00 H new ATOM 0 HE2 PHE A 116 16.061 0.515 -15.020 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.275 2.661 -14.102 1.00 0.00 H new ATOM 1644 N ILE A 117 11.492 -3.058 -17.286 1.00 0.00 N ATOM 1645 CA ILE A 117 12.035 -3.629 -18.501 1.00 0.00 C ATOM 1646 C ILE A 117 11.218 -3.182 -19.708 1.00 0.00 C ATOM 1647 O ILE A 117 11.775 -2.815 -20.742 1.00 0.00 O ATOM 1648 CB ILE A 117 12.074 -5.174 -18.436 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.027 -5.631 -17.325 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.490 -5.766 -19.778 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.160 -7.135 -17.214 1.00 0.00 C ATOM 0 H ILE A 117 11.068 -3.736 -16.653 1.00 0.00 H new ATOM 0 HA ILE A 117 13.059 -3.269 -18.604 1.00 0.00 H new ATOM 0 HB ILE A 117 11.071 -5.535 -18.208 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.012 -5.201 -17.505 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.675 -5.235 -16.372 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.510 -6.853 -19.706 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.776 -5.466 -20.545 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.482 -5.402 -20.044 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.850 -7.381 -16.407 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.184 -7.572 -17.003 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.542 -7.537 -18.153 1.00 0.00 H new ATOM 1663 N ASN A 118 9.897 -3.182 -19.552 1.00 0.00 N ATOM 1664 CA ASN A 118 8.987 -2.807 -20.632 1.00 0.00 C ATOM 1665 C ASN A 118 9.218 -1.367 -21.072 1.00 0.00 C ATOM 1666 O ASN A 118 9.065 -1.039 -22.246 1.00 0.00 O ATOM 1667 CB ASN A 118 7.526 -2.985 -20.209 1.00 0.00 C ATOM 1668 CG ASN A 118 7.128 -4.439 -20.033 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.701 -5.337 -20.647 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.128 -4.679 -19.199 1.00 0.00 N ATOM 0 H ASN A 118 9.430 -3.439 -18.682 1.00 0.00 H new ATOM 0 HA ASN A 118 9.195 -3.469 -21.472 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.358 -2.453 -19.273 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.879 -2.526 -20.957 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.808 -5.636 -19.048 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.677 -3.907 -18.707 1.00 0.00 H new ATOM 1677 N GLU A 119 9.584 -0.507 -20.132 1.00 0.00 N ATOM 1678 CA GLU A 119 9.873 0.880 -20.455 1.00 0.00 C ATOM 1679 C GLU A 119 11.180 0.989 -21.231 1.00 0.00 C ATOM 1680 O GLU A 119 11.257 1.706 -22.226 1.00 0.00 O ATOM 1681 CB GLU A 119 9.928 1.728 -19.187 1.00 0.00 C ATOM 1682 CG GLU A 119 8.593 1.795 -18.467 1.00 0.00 C ATOM 1683 CD GLU A 119 8.590 2.782 -17.321 1.00 0.00 C ATOM 1684 OE1 GLU A 119 8.565 4.003 -17.586 1.00 0.00 O ATOM 1685 OE2 GLU A 119 8.602 2.344 -16.154 1.00 0.00 O ATOM 0 H GLU A 119 9.687 -0.745 -19.145 1.00 0.00 H new ATOM 0 HA GLU A 119 9.068 1.259 -21.085 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.679 1.317 -18.513 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.248 2.738 -19.444 1.00 0.00 H new ATOM 0 HG2 GLU A 119 7.815 2.071 -19.179 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.341 0.805 -18.087 1.00 0.00 H new ATOM 1692 N ILE A 120 12.200 0.266 -20.777 1.00 0.00 N ATOM 1693 CA ILE A 120 13.481 0.245 -21.463 1.00 0.00 C ATOM 1694 C ILE A 120 13.342 -0.311 -22.883 1.00 0.00 C ATOM 1695 O ILE A 120 13.850 0.287 -23.830 1.00 0.00 O ATOM 1696 CB ILE A 120 14.540 -0.556 -20.652 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.296 0.371 -19.693 1.00 0.00 C ATOM 1698 CG2 ILE A 120 15.528 -1.272 -21.563 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.426 1.057 -18.667 1.00 0.00 C ATOM 0 H ILE A 120 12.161 -0.312 -19.937 1.00 0.00 H new ATOM 0 HA ILE A 120 13.829 1.275 -21.542 1.00 0.00 H new ATOM 0 HB ILE A 120 14.003 -1.311 -20.077 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.059 -0.209 -19.174 1.00 0.00 H new ATOM 0 HG13 ILE A 120 15.815 1.131 -20.277 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.250 -1.819 -20.958 1.00 0.00 H new ATOM 0 HG22 ILE A 120 14.991 -1.969 -22.206 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.051 -0.540 -22.179 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.044 1.692 -18.032 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.679 1.668 -19.174 1.00 0.00 H new ATOM 0 HD13 ILE A 120 13.927 0.307 -18.054 1.00 0.00 H new ATOM 1711 N THR A 121 12.618 -1.422 -23.034 1.00 0.00 N ATOM 1712 CA THR A 121 12.484 -2.083 -24.330 1.00 0.00 C ATOM 1713 C THR A 121 11.874 -1.160 -25.383 1.00 0.00 C ATOM 1714 O THR A 121 12.270 -1.201 -26.550 1.00 0.00 O ATOM 1715 CB THR A 121 11.645 -3.370 -24.222 1.00 0.00 C ATOM 1716 OG1 THR A 121 10.466 -3.131 -23.444 1.00 0.00 O ATOM 1717 CG2 THR A 121 12.456 -4.488 -23.594 1.00 0.00 C ATOM 0 H THR A 121 12.116 -1.881 -22.274 1.00 0.00 H new ATOM 0 HA THR A 121 13.493 -2.345 -24.647 1.00 0.00 H new ATOM 0 HB THR A 121 11.354 -3.671 -25.228 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.347 -2.166 -23.318 1.00 0.00 H new ATOM 0 HG21 THR A 121 11.844 -5.388 -23.527 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.333 -4.690 -24.208 1.00 0.00 H new ATOM 0 HG23 THR A 121 12.774 -4.190 -22.595 1.00 0.00 H new ATOM 1725 N GLN A 122 10.931 -0.320 -24.963 1.00 0.00 N ATOM 1726 CA GLN A 122 10.306 0.642 -25.867 1.00 0.00 C ATOM 1727 C GLN A 122 11.354 1.577 -26.457 1.00 0.00 C ATOM 1728 O GLN A 122 11.341 1.878 -27.651 1.00 0.00 O ATOM 1729 CB GLN A 122 9.243 1.462 -25.131 1.00 0.00 C ATOM 1730 CG GLN A 122 8.091 0.635 -24.591 1.00 0.00 C ATOM 1731 CD GLN A 122 7.359 -0.124 -25.678 1.00 0.00 C ATOM 1732 OE1 GLN A 122 7.691 -1.268 -25.989 1.00 0.00 O ATOM 1733 NE2 GLN A 122 6.360 0.510 -26.267 1.00 0.00 N ATOM 0 H GLN A 122 10.584 -0.286 -24.005 1.00 0.00 H new ATOM 0 HA GLN A 122 9.828 0.086 -26.674 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.716 1.992 -24.304 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.848 2.218 -25.809 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.470 -0.071 -23.852 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.389 1.290 -24.075 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.117 1.458 -25.979 1.00 0.00 H new ATOM 0 HE22 GLN A 122 5.832 0.051 -27.009 1.00 0.00 H new ATOM 1742 N LEU A 123 12.269 2.022 -25.611 1.00 0.00 N ATOM 1743 CA LEU A 123 13.326 2.926 -26.033 1.00 0.00 C ATOM 1744 C LEU A 123 14.405 2.175 -26.805 1.00 0.00 C ATOM 1745 O LEU A 123 14.908 2.676 -27.805 1.00 0.00 O ATOM 1746 CB LEU A 123 13.934 3.651 -24.827 1.00 0.00 C ATOM 1747 CG LEU A 123 13.123 4.832 -24.275 1.00 0.00 C ATOM 1748 CD1 LEU A 123 11.772 4.384 -23.744 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.901 5.541 -23.181 1.00 0.00 C ATOM 0 H LEU A 123 12.300 1.770 -24.623 1.00 0.00 H new ATOM 0 HA LEU A 123 12.888 3.672 -26.696 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.075 2.926 -24.025 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.923 4.014 -25.107 1.00 0.00 H new ATOM 0 HG LEU A 123 12.948 5.524 -25.099 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.227 5.247 -23.362 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.200 3.921 -24.548 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.918 3.662 -22.940 1.00 0.00 H new ATOM 0 HD21 LEU A 123 13.313 6.376 -22.799 1.00 0.00 H new ATOM 0 HD22 LEU A 123 14.108 4.842 -22.370 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.841 5.915 -23.587 1.00 0.00 H new ATOM 1761 N VAL A 124 14.744 0.971 -26.350 1.00 0.00 N ATOM 1762 CA VAL A 124 15.759 0.154 -27.017 1.00 0.00 C ATOM 1763 C VAL A 124 15.394 -0.082 -28.471 1.00 0.00 C ATOM 1764 O VAL A 124 16.092 0.355 -29.379 1.00 0.00 O ATOM 1765 CB VAL A 124 15.924 -1.229 -26.351 1.00 0.00 C ATOM 1766 CG1 VAL A 124 16.978 -2.055 -27.075 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.296 -1.087 -24.887 1.00 0.00 C ATOM 0 H VAL A 124 14.332 0.538 -25.523 1.00 0.00 H new ATOM 0 HA VAL A 124 16.693 0.711 -26.937 1.00 0.00 H new ATOM 0 HB VAL A 124 14.966 -1.744 -26.418 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.077 -3.025 -26.588 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.678 -2.199 -28.113 1.00 0.00 H new ATOM 0 HG13 VAL A 124 17.935 -1.533 -27.043 1.00 0.00 H new ATOM 0 HG21 VAL A 124 16.406 -2.076 -24.442 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.237 -0.544 -24.802 1.00 0.00 H new ATOM 0 HG23 VAL A 124 15.512 -0.539 -24.364 1.00 0.00 H new ATOM 1777 N SER A 125 14.273 -0.750 -28.669 1.00 0.00 N ATOM 1778 CA SER A 125 13.825 -1.158 -29.984 1.00 0.00 C ATOM 1779 C SER A 125 13.587 0.040 -30.910 1.00 0.00 C ATOM 1780 O SER A 125 13.584 -0.097 -32.134 1.00 0.00 O ATOM 1781 CB SER A 125 12.554 -1.973 -29.808 1.00 0.00 C ATOM 1782 OG SER A 125 12.840 -3.260 -29.283 1.00 0.00 O ATOM 0 H SER A 125 13.644 -1.026 -27.915 1.00 0.00 H new ATOM 0 HA SER A 125 14.600 -1.757 -30.461 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.871 -1.448 -29.140 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.047 -2.073 -30.768 1.00 0.00 H new ATOM 0 HG SER A 125 12.006 -3.763 -29.178 1.00 0.00 H new ATOM 1788 N MET A 126 13.398 1.210 -30.318 1.00 0.00 N ATOM 1789 CA MET A 126 13.196 2.434 -31.080 1.00 0.00 C ATOM 1790 C MET A 126 14.530 3.108 -31.410 1.00 0.00 C ATOM 1791 O MET A 126 14.823 3.389 -32.573 1.00 0.00 O ATOM 1792 CB MET A 126 12.296 3.394 -30.296 1.00 0.00 C ATOM 1793 CG MET A 126 12.096 4.745 -30.967 1.00 0.00 C ATOM 1794 SD MET A 126 10.907 5.791 -30.101 1.00 0.00 S ATOM 1795 CE MET A 126 11.677 5.902 -28.491 1.00 0.00 C ATOM 0 H MET A 126 13.380 1.338 -29.306 1.00 0.00 H new ATOM 0 HA MET A 126 12.711 2.174 -32.021 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.323 2.925 -30.150 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.726 3.552 -29.307 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.054 5.262 -31.023 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.757 4.590 -31.991 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.338 6.807 -27.987 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.403 5.031 -27.896 1.00 0.00 H new ATOM 0 HE3 MET A 126 12.760 5.936 -28.607 1.00 0.00 H new ATOM 1805 N PHE A 127 15.342 3.346 -30.382 1.00 0.00 N ATOM 1806 CA PHE A 127 16.600 4.072 -30.542 1.00 0.00 C ATOM 1807 C PHE A 127 17.664 3.214 -31.228 1.00 0.00 C ATOM 1808 O PHE A 127 18.626 3.744 -31.780 1.00 0.00 O ATOM 1809 CB PHE A 127 17.118 4.561 -29.179 1.00 0.00 C ATOM 1810 CG PHE A 127 16.283 5.645 -28.545 1.00 0.00 C ATOM 1811 CD1 PHE A 127 15.849 6.735 -29.283 1.00 0.00 C ATOM 1812 CD2 PHE A 127 15.950 5.576 -27.201 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.097 7.733 -28.691 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.198 6.571 -26.604 1.00 0.00 C ATOM 1815 CZ PHE A 127 14.772 7.651 -27.351 1.00 0.00 C ATOM 0 H PHE A 127 15.150 3.045 -29.426 1.00 0.00 H new ATOM 0 HA PHE A 127 16.400 4.934 -31.179 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.167 3.712 -28.497 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.136 4.930 -29.302 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.101 6.806 -30.331 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.282 4.734 -26.612 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.764 8.577 -29.277 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.945 6.503 -25.556 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.185 8.431 -26.888 1.00 0.00 H new ATOM 1825 N ALA A 128 17.487 1.895 -31.191 1.00 0.00 N ATOM 1826 CA ALA A 128 18.450 0.972 -31.791 1.00 0.00 C ATOM 1827 C ALA A 128 18.504 1.131 -33.299 1.00 0.00 C ATOM 1828 O ALA A 128 19.576 1.150 -33.891 1.00 0.00 O ATOM 1829 CB ALA A 128 18.118 -0.469 -31.431 1.00 0.00 C ATOM 0 H ALA A 128 16.686 1.441 -30.752 1.00 0.00 H new ATOM 0 HA ALA A 128 19.432 1.218 -31.386 1.00 0.00 H new ATOM 0 HB1 ALA A 128 18.848 -1.136 -31.889 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.146 -0.589 -30.348 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.122 -0.715 -31.798 1.00 0.00 H new ATOM 1835 N GLN A 129 17.347 1.231 -33.928 1.00 0.00 N ATOM 1836 CA GLN A 129 17.299 1.404 -35.362 1.00 0.00 C ATOM 1837 C GLN A 129 17.798 2.791 -35.738 1.00 0.00 C ATOM 1838 O GLN A 129 18.734 2.921 -36.524 1.00 0.00 O ATOM 1839 CB GLN A 129 15.882 1.163 -35.872 1.00 0.00 C ATOM 1840 CG GLN A 129 15.339 -0.184 -35.430 1.00 0.00 C ATOM 1841 CD GLN A 129 13.986 -0.509 -36.018 1.00 0.00 C ATOM 1842 OE1 GLN A 129 13.183 0.378 -36.308 1.00 0.00 O ATOM 1843 NE2 GLN A 129 13.725 -1.791 -36.180 1.00 0.00 N ATOM 0 H GLN A 129 16.436 1.195 -33.470 1.00 0.00 H new ATOM 0 HA GLN A 129 17.954 0.673 -35.836 1.00 0.00 H new ATOM 0 HB2 GLN A 129 15.227 1.955 -35.509 1.00 0.00 H new ATOM 0 HB3 GLN A 129 15.875 1.217 -36.961 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.047 -0.963 -35.714 1.00 0.00 H new ATOM 0 HG3 GLN A 129 15.267 -0.199 -34.342 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.423 -2.490 -35.925 1.00 0.00 H new ATOM 0 HE22 GLN A 129 12.825 -2.084 -36.561 1.00 0.00 H new