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 125 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 129 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Set 2.1: A 103 ASN : amide:sc= 0.0141 X(o=0.053,f=-0.42) USER MOD Set 2.2: A 107 GLN : amide:sc= 0.0385 X(o=0.053,f=-0.42) USER MOD Set 3.1: A 89 SER OG : rot 54:sc= 0.92 USER MOD Set 3.2: A 92 THR OG1 : rot -178:sc= 0.809 USER MOD Set 4.1: A 67 GLN : amide:sc= -0.427 X(o=-2.2,f=-1.9) USER MOD Set 4.2: A 71 MET CE :methyl -161:sc= -1.72 (180deg=-2.01) USER MOD Set 5.1: A 30 MET CE :methyl 163:sc= -0.248 (180deg=-0.674) USER MOD Set 5.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 11 THR OG1 : rot -75:sc= 0.157 USER MOD Set 6.2: A 12 ASN : amide:sc= 0.0365 K(o=0.19,f=-4.2!) USER MOD Single : A 8 THR OG1 : rot 27:sc= 0.511 USER MOD Single : A 18 ASN : amide:sc= 0.186 K(o=0.19,f=-1.2!) USER MOD Single : A 20 MET CE :methyl -142:sc= -1.06 (180deg=-2.69) USER MOD Single : A 21 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 22 SER OG : rot 150:sc= 0 USER MOD Single : A 24 MET CE :methyl 167:sc= -0.837 (180deg=-0.997) USER MOD Single : A 25 GLN : amide:sc= -0.559 K(o=-0.56,f=-3.6!) USER MOD Single : A 28 SER OG : rot -94:sc= 1.3 USER MOD Single : A 29 SER OG : rot 90:sc= 0.125 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.076 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.27) USER MOD Single : A 41 MET CE :methyl 171:sc= -0.516 (180deg=-0.584) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 73:sc= 1.09 USER MOD Single : A 46 GLN : amide:sc= -0.387 K(o=-0.39,f=-1.1) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 163:sc= -0.647 (180deg=-1.17) USER MOD Single : A 50 GLN : amide:sc= -0.239 K(o=-0.24,f=-0.86) USER MOD Single : A 51 SER OG : rot 33:sc= 1.88 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.797 F(o=-1.6,f=-0.8) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 48:sc= 0.0582 USER MOD Single : A 62 SER OG : rot 180:sc= -2.54! USER MOD Single : A 64 ASN : amide:sc= -0.407 K(o=-0.41,f=-2.1!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.0275 (180deg=-0.236) USER MOD Single : A 70 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.9!) USER MOD Single : A 75 SER OG : rot -78:sc= 0.906 USER MOD Single : A 76 SER OG : rot -91:sc= 1.3 USER MOD Single : A 77 MET CE :methyl 180:sc= -1.22 (180deg=-1.22) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 132:sc= 1.26 (180deg=0.763) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 83:sc= 1.26 USER MOD Single : A 96 SER OG : rot 86:sc= 1.26 USER MOD Single : A 101 MET CE :methyl 177:sc= -2.44 (180deg=-2.53) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -79:sc= 0.716 USER MOD Single : A 109 THR OG1 : rot -44:sc= 1.52 USER MOD Single : A 113 ASN : amide:sc= 0.589 K(o=0.59,f=-1.6) USER MOD Single : A 114 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.21) USER MOD Single : A 118 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 121 THR OG1 : rot -87:sc= 1.13 USER MOD Single : A 122 GLN : amide:sc= -1.38 K(o=-1.4,f=-6.1!) USER MOD Single : A 126 MET CE :methyl 162:sc= -0.22 (180deg=-0.88) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.479 0.832 -7.159 1.00 0.00 N ATOM 82 CA THR A 8 14.975 0.982 -8.516 1.00 0.00 C ATOM 83 C THR A 8 16.377 0.372 -8.611 1.00 0.00 C ATOM 84 O THR A 8 17.165 0.496 -7.676 1.00 0.00 O ATOM 85 CB THR A 8 15.031 2.479 -8.884 1.00 0.00 C ATOM 86 OG1 THR A 8 13.881 3.145 -8.348 1.00 0.00 O ATOM 87 CG2 THR A 8 15.078 2.701 -10.389 1.00 0.00 C ATOM 0 HA THR A 8 14.308 0.469 -9.209 1.00 0.00 H new ATOM 0 HB THR A 8 15.947 2.887 -8.457 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.563 2.663 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.117 3.770 -10.598 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.965 2.219 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.186 2.274 -10.848 1.00 0.00 H new ATOM 95 N PRO A 9 16.707 -0.297 -9.728 1.00 0.00 N ATOM 96 CA PRO A 9 17.999 -0.984 -9.908 1.00 0.00 C ATOM 97 C PRO A 9 19.214 -0.069 -9.720 1.00 0.00 C ATOM 98 O PRO A 9 20.307 -0.531 -9.396 1.00 0.00 O ATOM 99 CB PRO A 9 17.947 -1.485 -11.359 1.00 0.00 C ATOM 100 CG PRO A 9 16.843 -0.714 -12.000 1.00 0.00 C ATOM 101 CD PRO A 9 15.851 -0.446 -10.909 1.00 0.00 C ATOM 0 HA PRO A 9 18.124 -1.769 -9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.895 -1.313 -11.869 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.753 -2.557 -11.399 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.213 0.217 -12.430 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.389 -1.282 -12.812 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.268 0.454 -11.103 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.142 -1.266 -10.795 1.00 0.00 H new ATOM 109 N TRP A 10 19.019 1.230 -9.905 1.00 0.00 N ATOM 110 CA TRP A 10 20.127 2.178 -9.881 1.00 0.00 C ATOM 111 C TRP A 10 20.296 2.804 -8.496 1.00 0.00 C ATOM 112 O TRP A 10 20.992 3.807 -8.344 1.00 0.00 O ATOM 113 CB TRP A 10 19.901 3.285 -10.918 1.00 0.00 C ATOM 114 CG TRP A 10 19.475 2.794 -12.271 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.509 3.347 -13.063 1.00 0.00 C ATOM 116 CD2 TRP A 10 19.977 1.654 -12.989 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.382 2.630 -14.228 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.269 1.586 -14.205 1.00 0.00 C ATOM 119 CE3 TRP A 10 20.953 0.686 -12.726 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.505 0.593 -15.150 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.185 -0.299 -13.666 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.465 -0.338 -14.865 1.00 0.00 C ATOM 0 H TRP A 10 18.106 1.652 -10.073 1.00 0.00 H new ATOM 0 HA TRP A 10 21.036 1.629 -10.124 1.00 0.00 H new ATOM 0 HB2 TRP A 10 19.143 3.971 -10.539 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.822 3.857 -11.027 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.929 4.222 -12.810 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.733 2.841 -14.986 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.515 0.709 -11.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 18.950 0.559 -16.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 21.935 -1.052 -13.472 1.00 0.00 H new ATOM 0 HH2 TRP A 10 20.672 -1.120 -15.581 1.00 0.00 H new ATOM 133 N THR A 11 19.668 2.207 -7.487 1.00 0.00 N ATOM 134 CA THR A 11 19.695 2.762 -6.139 1.00 0.00 C ATOM 135 C THR A 11 21.084 2.642 -5.506 1.00 0.00 C ATOM 136 O THR A 11 21.581 3.590 -4.899 1.00 0.00 O ATOM 137 CB THR A 11 18.639 2.090 -5.221 1.00 0.00 C ATOM 138 OG1 THR A 11 18.656 2.691 -3.920 1.00 0.00 O ATOM 139 CG2 THR A 11 18.874 0.588 -5.086 1.00 0.00 C ATOM 0 H THR A 11 19.136 1.342 -7.578 1.00 0.00 H new ATOM 0 HA THR A 11 19.448 3.819 -6.234 1.00 0.00 H new ATOM 0 HB THR A 11 17.665 2.242 -5.687 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.442 2.378 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.113 0.158 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.817 0.121 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.860 0.411 -4.657 1.00 0.00 H new ATOM 147 N ASN A 12 21.711 1.484 -5.660 1.00 0.00 N ATOM 148 CA ASN A 12 22.992 1.220 -5.012 1.00 0.00 C ATOM 149 C ASN A 12 23.998 0.667 -6.007 1.00 0.00 C ATOM 150 O ASN A 12 23.635 -0.084 -6.913 1.00 0.00 O ATOM 151 CB ASN A 12 22.831 0.223 -3.853 1.00 0.00 C ATOM 152 CG ASN A 12 22.205 0.826 -2.601 1.00 0.00 C ATOM 153 OD1 ASN A 12 21.383 1.738 -2.668 1.00 0.00 O ATOM 154 ND2 ASN A 12 22.593 0.314 -1.440 1.00 0.00 N ATOM 0 H ASN A 12 21.356 0.713 -6.226 1.00 0.00 H new ATOM 0 HA ASN A 12 23.357 2.169 -4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 12 22.216 -0.612 -4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.810 -0.184 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 12 22.207 0.677 -0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 12 23.277 -0.442 -1.419 1.00 0.00 H new ATOM 161 N PRO A 13 25.280 1.035 -5.854 1.00 0.00 N ATOM 162 CA PRO A 13 26.370 0.493 -6.671 1.00 0.00 C ATOM 163 C PRO A 13 26.440 -1.028 -6.571 1.00 0.00 C ATOM 164 O PRO A 13 26.727 -1.715 -7.553 1.00 0.00 O ATOM 165 CB PRO A 13 27.626 1.123 -6.061 1.00 0.00 C ATOM 166 CG PRO A 13 27.144 2.354 -5.382 1.00 0.00 C ATOM 167 CD PRO A 13 25.766 2.029 -4.882 1.00 0.00 C ATOM 0 HA PRO A 13 26.243 0.717 -7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 13 28.106 0.445 -5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 13 28.363 1.358 -6.829 1.00 0.00 H new ATOM 0 HG2 PRO A 13 27.804 2.631 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 13 27.121 3.198 -6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.790 1.624 -3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.128 2.913 -4.857 1.00 0.00 H new ATOM 175 N GLY A 14 26.137 -1.543 -5.381 1.00 0.00 N ATOM 176 CA GLY A 14 26.129 -2.979 -5.157 1.00 0.00 C ATOM 177 C GLY A 14 24.914 -3.653 -5.769 1.00 0.00 C ATOM 178 O GLY A 14 24.655 -4.829 -5.525 1.00 0.00 O ATOM 0 H GLY A 14 25.895 -0.985 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.034 -3.415 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.150 -3.177 -4.085 1.00 0.00 H new ATOM 182 N LEU A 15 24.163 -2.896 -6.546 1.00 0.00 N ATOM 183 CA LEU A 15 23.045 -3.429 -7.301 1.00 0.00 C ATOM 184 C LEU A 15 23.296 -3.158 -8.776 1.00 0.00 C ATOM 185 O LEU A 15 23.356 -4.080 -9.584 1.00 0.00 O ATOM 186 CB LEU A 15 21.736 -2.765 -6.840 1.00 0.00 C ATOM 187 CG LEU A 15 20.423 -3.499 -7.176 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.235 -3.680 -8.676 1.00 0.00 C ATOM 189 CD2 LEU A 15 20.362 -4.846 -6.473 1.00 0.00 C ATOM 0 H LEU A 15 24.311 -1.895 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 15 22.952 -4.502 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.784 -2.635 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.689 -1.768 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 15 19.607 -2.873 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.297 -4.202 -8.865 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.211 -2.704 -9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 15 21.062 -4.264 -9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.427 -5.346 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 15 21.201 -5.463 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.414 -4.696 -5.395 1.00 0.00 H new ATOM 201 N ALA A 16 23.464 -1.877 -9.096 1.00 0.00 N ATOM 202 CA ALA A 16 23.751 -1.419 -10.457 1.00 0.00 C ATOM 203 C ALA A 16 24.813 -2.276 -11.153 1.00 0.00 C ATOM 204 O ALA A 16 24.570 -2.824 -12.228 1.00 0.00 O ATOM 205 CB ALA A 16 24.202 0.032 -10.423 1.00 0.00 C ATOM 0 H ALA A 16 23.405 -1.120 -8.414 1.00 0.00 H new ATOM 0 HA ALA A 16 22.831 -1.515 -11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.415 0.371 -11.437 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.413 0.648 -9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.102 0.119 -9.815 1.00 0.00 H new ATOM 211 N GLU A 17 25.979 -2.405 -10.526 1.00 0.00 N ATOM 212 CA GLU A 17 27.101 -3.117 -11.135 1.00 0.00 C ATOM 213 C GLU A 17 26.812 -4.612 -11.246 1.00 0.00 C ATOM 214 O GLU A 17 27.062 -5.229 -12.281 1.00 0.00 O ATOM 215 CB GLU A 17 28.380 -2.896 -10.324 1.00 0.00 C ATOM 216 CG GLU A 17 29.643 -3.371 -11.029 1.00 0.00 C ATOM 217 CD GLU A 17 29.909 -2.626 -12.325 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.419 -1.487 -12.262 1.00 0.00 O ATOM 219 OE2 GLU A 17 29.611 -3.180 -13.405 1.00 0.00 O ATOM 0 H GLU A 17 26.172 -2.027 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 17 27.240 -2.717 -12.139 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.478 -1.834 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.289 -3.417 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 17 30.495 -3.245 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 17 29.557 -4.437 -11.239 1.00 0.00 H new ATOM 226 N ASN A 18 26.276 -5.193 -10.179 1.00 0.00 N ATOM 227 CA ASN A 18 25.978 -6.616 -10.152 1.00 0.00 C ATOM 228 C ASN A 18 24.912 -6.963 -11.180 1.00 0.00 C ATOM 229 O ASN A 18 24.966 -8.018 -11.811 1.00 0.00 O ATOM 230 CB ASN A 18 25.535 -7.042 -8.755 1.00 0.00 C ATOM 231 CG ASN A 18 26.683 -7.069 -7.765 1.00 0.00 C ATOM 232 OD1 ASN A 18 27.833 -7.295 -8.135 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.379 -6.847 -6.497 1.00 0.00 N ATOM 0 H ASN A 18 26.039 -4.697 -9.320 1.00 0.00 H new ATOM 0 HA ASN A 18 26.887 -7.161 -10.407 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.766 -6.357 -8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.081 -8.032 -8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.111 -6.860 -5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.412 -6.663 -6.229 1.00 0.00 H new ATOM 240 N PHE A 19 23.958 -6.055 -11.355 1.00 0.00 N ATOM 241 CA PHE A 19 22.928 -6.204 -12.373 1.00 0.00 C ATOM 242 C PHE A 19 23.572 -6.343 -13.745 1.00 0.00 C ATOM 243 O PHE A 19 23.222 -7.230 -14.516 1.00 0.00 O ATOM 244 CB PHE A 19 21.982 -4.997 -12.349 1.00 0.00 C ATOM 245 CG PHE A 19 20.917 -5.026 -13.414 1.00 0.00 C ATOM 246 CD1 PHE A 19 19.791 -5.819 -13.268 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.041 -4.253 -14.562 1.00 0.00 C ATOM 248 CE1 PHE A 19 18.812 -5.844 -14.243 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.063 -4.276 -15.539 1.00 0.00 C ATOM 250 CZ PHE A 19 18.948 -5.071 -15.379 1.00 0.00 C ATOM 0 H PHE A 19 23.878 -5.203 -10.800 1.00 0.00 H new ATOM 0 HA PHE A 19 22.349 -7.103 -12.163 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.502 -4.945 -11.372 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.570 -4.086 -12.464 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.677 -6.425 -12.381 1.00 0.00 H new ATOM 0 HD2 PHE A 19 21.911 -3.627 -14.693 1.00 0.00 H new ATOM 0 HE1 PHE A 19 17.940 -6.469 -14.116 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.172 -3.671 -16.427 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.183 -5.089 -16.141 1.00 0.00 H new ATOM 260 N MET A 20 24.537 -5.471 -14.023 1.00 0.00 N ATOM 261 CA MET A 20 25.239 -5.472 -15.304 1.00 0.00 C ATOM 262 C MET A 20 26.038 -6.752 -15.489 1.00 0.00 C ATOM 263 O MET A 20 26.107 -7.301 -16.589 1.00 0.00 O ATOM 264 CB MET A 20 26.188 -4.283 -15.392 1.00 0.00 C ATOM 265 CG MET A 20 25.507 -2.938 -15.240 1.00 0.00 C ATOM 266 SD MET A 20 24.315 -2.610 -16.547 1.00 0.00 S ATOM 267 CE MET A 20 23.811 -0.956 -16.099 1.00 0.00 C ATOM 0 H MET A 20 24.853 -4.750 -13.374 1.00 0.00 H new ATOM 0 HA MET A 20 24.487 -5.403 -16.090 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.951 -4.382 -14.619 1.00 0.00 H new ATOM 0 HB3 MET A 20 26.702 -4.312 -16.353 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.002 -2.899 -14.275 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.262 -2.152 -15.237 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.742 -0.840 -16.280 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.021 -0.785 -15.043 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.361 -0.232 -16.700 1.00 0.00 H new ATOM 277 N ASN A 21 26.646 -7.220 -14.408 1.00 0.00 N ATOM 278 CA ASN A 21 27.441 -8.429 -14.444 1.00 0.00 C ATOM 279 C ASN A 21 26.584 -9.630 -14.817 1.00 0.00 C ATOM 280 O ASN A 21 26.895 -10.346 -15.769 1.00 0.00 O ATOM 281 CB ASN A 21 28.128 -8.641 -13.096 1.00 0.00 C ATOM 282 CG ASN A 21 29.469 -7.932 -13.016 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.511 -8.517 -13.317 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.451 -6.665 -12.629 1.00 0.00 N ATOM 0 H ASN A 21 26.600 -6.774 -13.492 1.00 0.00 H new ATOM 0 HA ASN A 21 28.208 -8.322 -15.211 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.479 -8.278 -12.299 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.273 -9.708 -12.928 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.322 -6.137 -12.572 1.00 0.00 H new ATOM 0 HD22 ASN A 21 28.566 -6.218 -12.388 1.00 0.00 H new ATOM 291 N SER A 22 25.488 -9.828 -14.091 1.00 0.00 N ATOM 292 CA SER A 22 24.567 -10.904 -14.382 1.00 0.00 C ATOM 293 C SER A 22 23.895 -10.691 -15.739 1.00 0.00 C ATOM 294 O SER A 22 23.591 -11.652 -16.453 1.00 0.00 O ATOM 295 CB SER A 22 23.532 -10.984 -13.270 1.00 0.00 C ATOM 296 OG SER A 22 24.156 -11.221 -12.019 1.00 0.00 O ATOM 0 H SER A 22 25.221 -9.250 -13.294 1.00 0.00 H new ATOM 0 HA SER A 22 25.114 -11.845 -14.433 1.00 0.00 H new ATOM 0 HB2 SER A 22 22.964 -10.055 -13.228 1.00 0.00 H new ATOM 0 HB3 SER A 22 22.822 -11.783 -13.485 1.00 0.00 H new ATOM 0 HG SER A 22 23.623 -10.813 -11.305 1.00 0.00 H new ATOM 302 N PHE A 23 23.676 -9.424 -16.083 1.00 0.00 N ATOM 303 CA PHE A 23 23.153 -9.049 -17.391 1.00 0.00 C ATOM 304 C PHE A 23 24.025 -9.621 -18.493 1.00 0.00 C ATOM 305 O PHE A 23 23.552 -10.351 -19.361 1.00 0.00 O ATOM 306 CB PHE A 23 23.094 -7.522 -17.516 1.00 0.00 C ATOM 307 CG PHE A 23 22.829 -7.022 -18.910 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.536 -6.916 -19.387 1.00 0.00 C ATOM 309 CD2 PHE A 23 23.881 -6.654 -19.740 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.291 -6.454 -20.665 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.641 -6.190 -21.019 1.00 0.00 C ATOM 312 CZ PHE A 23 22.343 -6.091 -21.483 1.00 0.00 C ATOM 0 H PHE A 23 23.856 -8.633 -15.465 1.00 0.00 H new ATOM 0 HA PHE A 23 22.147 -9.456 -17.492 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.314 -7.145 -16.854 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.038 -7.104 -17.167 1.00 0.00 H new ATOM 0 HD1 PHE A 23 20.708 -7.198 -18.753 1.00 0.00 H new ATOM 0 HD2 PHE A 23 24.897 -6.732 -19.382 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.276 -6.376 -21.025 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.466 -5.905 -21.655 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.152 -5.731 -22.483 1.00 0.00 H new ATOM 322 N MET A 24 25.306 -9.301 -18.433 1.00 0.00 N ATOM 323 CA MET A 24 26.242 -9.680 -19.442 1.00 0.00 C ATOM 324 C MET A 24 26.470 -11.190 -19.456 1.00 0.00 C ATOM 325 O MET A 24 26.718 -11.771 -20.510 1.00 0.00 O ATOM 326 CB MET A 24 27.521 -8.917 -19.165 1.00 0.00 C ATOM 327 CG MET A 24 28.630 -9.214 -20.121 1.00 0.00 C ATOM 328 SD MET A 24 28.170 -8.950 -21.848 1.00 0.00 S ATOM 329 CE MET A 24 27.717 -7.218 -21.825 1.00 0.00 C ATOM 0 H MET A 24 25.716 -8.765 -17.668 1.00 0.00 H new ATOM 0 HA MET A 24 25.862 -9.433 -20.433 1.00 0.00 H new ATOM 0 HB2 MET A 24 27.307 -7.849 -19.194 1.00 0.00 H new ATOM 0 HB3 MET A 24 27.857 -9.147 -18.154 1.00 0.00 H new ATOM 0 HG2 MET A 24 29.487 -8.585 -19.880 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.947 -10.249 -19.990 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.633 -6.850 -22.848 1.00 0.00 H new ATOM 0 HE2 MET A 24 26.760 -7.099 -21.317 1.00 0.00 H new ATOM 0 HE3 MET A 24 28.482 -6.649 -21.296 1.00 0.00 H new ATOM 339 N GLN A 25 26.362 -11.829 -18.292 1.00 0.00 N ATOM 340 CA GLN A 25 26.470 -13.286 -18.211 1.00 0.00 C ATOM 341 C GLN A 25 25.370 -13.941 -19.039 1.00 0.00 C ATOM 342 O GLN A 25 25.603 -14.918 -19.752 1.00 0.00 O ATOM 343 CB GLN A 25 26.375 -13.765 -16.762 1.00 0.00 C ATOM 344 CG GLN A 25 27.516 -13.292 -15.878 1.00 0.00 C ATOM 345 CD GLN A 25 27.411 -13.818 -14.461 1.00 0.00 C ATOM 346 OE1 GLN A 25 26.811 -13.185 -13.593 1.00 0.00 O ATOM 347 NE2 GLN A 25 27.995 -14.980 -14.216 1.00 0.00 N ATOM 0 H GLN A 25 26.201 -11.365 -17.398 1.00 0.00 H new ATOM 0 HA GLN A 25 27.444 -13.573 -18.608 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.433 -13.419 -16.337 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.349 -14.855 -16.751 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.463 -13.612 -16.311 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.527 -12.202 -15.857 1.00 0.00 H new ATOM 0 HE21 GLN A 25 28.483 -15.473 -14.964 1.00 0.00 H new ATOM 0 HE22 GLN A 25 27.957 -15.382 -13.279 1.00 0.00 H new ATOM 356 N GLY A 26 24.172 -13.385 -18.946 1.00 0.00 N ATOM 357 CA GLY A 26 23.066 -13.887 -19.726 1.00 0.00 C ATOM 358 C GLY A 26 23.149 -13.444 -21.171 1.00 0.00 C ATOM 359 O GLY A 26 22.883 -14.225 -22.080 1.00 0.00 O ATOM 0 H GLY A 26 23.948 -12.594 -18.343 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.054 -14.976 -19.680 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.128 -13.539 -19.293 1.00 0.00 H new ATOM 363 N LEU A 27 23.543 -12.191 -21.377 1.00 0.00 N ATOM 364 CA LEU A 27 23.598 -11.607 -22.713 1.00 0.00 C ATOM 365 C LEU A 27 24.615 -12.322 -23.592 1.00 0.00 C ATOM 366 O LEU A 27 24.373 -12.537 -24.776 1.00 0.00 O ATOM 367 CB LEU A 27 23.954 -10.127 -22.645 1.00 0.00 C ATOM 368 CG LEU A 27 23.767 -9.372 -23.960 1.00 0.00 C ATOM 369 CD1 LEU A 27 22.306 -9.003 -24.162 1.00 0.00 C ATOM 370 CD2 LEU A 27 24.656 -8.146 -24.004 1.00 0.00 C ATOM 0 H LEU A 27 23.830 -11.557 -20.631 1.00 0.00 H new ATOM 0 HA LEU A 27 22.607 -11.723 -23.152 1.00 0.00 H new ATOM 0 HB2 LEU A 27 23.341 -9.653 -21.878 1.00 0.00 H new ATOM 0 HB3 LEU A 27 24.993 -10.030 -22.329 1.00 0.00 H new ATOM 0 HG LEU A 27 24.062 -10.027 -24.780 1.00 0.00 H new ATOM 0 HD11 LEU A 27 22.193 -8.466 -25.104 1.00 0.00 H new ATOM 0 HD12 LEU A 27 21.702 -9.910 -24.187 1.00 0.00 H new ATOM 0 HD13 LEU A 27 21.974 -8.368 -23.340 1.00 0.00 H new ATOM 0 HD21 LEU A 27 24.508 -7.623 -24.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 24.402 -7.482 -23.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.699 -8.450 -23.918 1.00 0.00 H new ATOM 382 N SER A 28 25.746 -12.696 -23.014 1.00 0.00 N ATOM 383 CA SER A 28 26.790 -13.378 -23.756 1.00 0.00 C ATOM 384 C SER A 28 26.339 -14.773 -24.183 1.00 0.00 C ATOM 385 O SER A 28 26.978 -15.422 -25.011 1.00 0.00 O ATOM 386 CB SER A 28 28.050 -13.462 -22.903 1.00 0.00 C ATOM 387 OG SER A 28 27.751 -13.926 -21.599 1.00 0.00 O ATOM 0 H SER A 28 25.963 -12.537 -22.030 1.00 0.00 H new ATOM 0 HA SER A 28 27.005 -12.808 -24.660 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.769 -14.132 -23.375 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.520 -12.480 -22.845 1.00 0.00 H new ATOM 0 HG SER A 28 27.611 -13.160 -21.003 1.00 0.00 H new ATOM 393 N SER A 29 25.236 -15.226 -23.607 1.00 0.00 N ATOM 394 CA SER A 29 24.668 -16.511 -23.947 1.00 0.00 C ATOM 395 C SER A 29 23.495 -16.336 -24.909 1.00 0.00 C ATOM 396 O SER A 29 22.876 -17.313 -25.340 1.00 0.00 O ATOM 397 CB SER A 29 24.219 -17.221 -22.670 1.00 0.00 C ATOM 398 OG SER A 29 25.307 -17.369 -21.764 1.00 0.00 O ATOM 0 H SER A 29 24.716 -14.713 -22.895 1.00 0.00 H new ATOM 0 HA SER A 29 25.423 -17.120 -24.444 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.419 -16.653 -22.195 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.811 -18.201 -22.918 1.00 0.00 H new ATOM 0 HG SER A 29 25.350 -16.588 -21.174 1.00 0.00 H new ATOM 404 N MET A 30 23.199 -15.086 -25.253 1.00 0.00 N ATOM 405 CA MET A 30 22.098 -14.786 -26.151 1.00 0.00 C ATOM 406 C MET A 30 22.611 -14.658 -27.580 1.00 0.00 C ATOM 407 O MET A 30 23.557 -13.914 -27.841 1.00 0.00 O ATOM 408 CB MET A 30 21.414 -13.477 -25.754 1.00 0.00 C ATOM 409 CG MET A 30 20.950 -13.407 -24.306 1.00 0.00 C ATOM 410 SD MET A 30 19.651 -14.592 -23.908 1.00 0.00 S ATOM 411 CE MET A 30 19.187 -14.022 -22.272 1.00 0.00 C ATOM 0 H MET A 30 23.709 -14.267 -24.921 1.00 0.00 H new ATOM 0 HA MET A 30 21.378 -15.601 -26.084 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.104 -12.654 -25.939 1.00 0.00 H new ATOM 0 HB3 MET A 30 20.552 -13.323 -26.404 1.00 0.00 H new ATOM 0 HG2 MET A 30 21.803 -13.582 -23.651 1.00 0.00 H new ATOM 0 HG3 MET A 30 20.589 -12.400 -24.097 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.215 -14.436 -22.004 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.933 -14.349 -21.548 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.131 -12.933 -22.268 1.00 0.00 H new ATOM 421 N PRO A 31 22.008 -15.394 -28.519 1.00 0.00 N ATOM 422 CA PRO A 31 22.357 -15.290 -29.936 1.00 0.00 C ATOM 423 C PRO A 31 21.866 -13.975 -30.541 1.00 0.00 C ATOM 424 O PRO A 31 20.670 -13.681 -30.523 1.00 0.00 O ATOM 425 CB PRO A 31 21.635 -16.483 -30.571 1.00 0.00 C ATOM 426 CG PRO A 31 20.495 -16.779 -29.655 1.00 0.00 C ATOM 427 CD PRO A 31 20.946 -16.385 -28.274 1.00 0.00 C ATOM 0 HA PRO A 31 23.434 -15.301 -30.101 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.283 -16.242 -31.574 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.299 -17.342 -30.664 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.606 -16.220 -29.948 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.232 -17.836 -29.691 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.128 -15.959 -27.693 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.321 -17.243 -27.716 1.00 0.00 H new ATOM 435 N GLY A 32 22.790 -13.180 -31.061 1.00 0.00 N ATOM 436 CA GLY A 32 22.418 -11.911 -31.649 1.00 0.00 C ATOM 437 C GLY A 32 23.545 -10.902 -31.618 1.00 0.00 C ATOM 438 O GLY A 32 23.653 -10.059 -32.510 1.00 0.00 O ATOM 0 H GLY A 32 23.788 -13.391 -31.086 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.107 -12.071 -32.681 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.558 -11.506 -31.116 1.00 0.00 H new ATOM 442 N PHE A 33 24.384 -10.983 -30.598 1.00 0.00 N ATOM 443 CA PHE A 33 25.503 -10.058 -30.450 1.00 0.00 C ATOM 444 C PHE A 33 26.817 -10.714 -30.871 1.00 0.00 C ATOM 445 O PHE A 33 26.823 -11.791 -31.466 1.00 0.00 O ATOM 446 CB PHE A 33 25.606 -9.569 -29.003 1.00 0.00 C ATOM 447 CG PHE A 33 24.551 -8.571 -28.609 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.747 -7.215 -28.832 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.372 -8.983 -28.010 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.789 -6.292 -28.465 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.411 -8.064 -27.639 1.00 0.00 C ATOM 452 CZ PHE A 33 22.619 -6.716 -27.867 1.00 0.00 C ATOM 0 H PHE A 33 24.314 -11.681 -29.857 1.00 0.00 H new ATOM 0 HA PHE A 33 25.319 -9.204 -31.102 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.543 -10.429 -28.336 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.588 -9.120 -28.853 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.661 -6.878 -29.299 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.203 -10.035 -27.831 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.954 -5.240 -28.645 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.497 -8.398 -27.171 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.868 -5.996 -27.578 1.00 0.00 H new ATOM 462 N THR A 34 27.923 -10.046 -30.569 1.00 0.00 N ATOM 463 CA THR A 34 29.248 -10.560 -30.874 1.00 0.00 C ATOM 464 C THR A 34 30.233 -10.081 -29.807 1.00 0.00 C ATOM 465 O THR A 34 29.896 -9.206 -29.007 1.00 0.00 O ATOM 466 CB THR A 34 29.725 -10.108 -32.275 1.00 0.00 C ATOM 467 OG1 THR A 34 30.949 -10.768 -32.622 1.00 0.00 O ATOM 468 CG2 THR A 34 29.933 -8.600 -32.325 1.00 0.00 C ATOM 0 H THR A 34 27.925 -9.136 -30.108 1.00 0.00 H new ATOM 0 HA THR A 34 29.202 -11.649 -30.877 1.00 0.00 H new ATOM 0 HB THR A 34 28.949 -10.378 -32.992 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.238 -10.474 -33.511 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.268 -8.312 -33.321 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.994 -8.095 -32.098 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.686 -8.312 -31.592 1.00 0.00 H new ATOM 476 N ALA A 35 31.441 -10.637 -29.809 1.00 0.00 N ATOM 477 CA ALA A 35 32.442 -10.325 -28.791 1.00 0.00 C ATOM 478 C ALA A 35 32.731 -8.829 -28.718 1.00 0.00 C ATOM 479 O ALA A 35 32.902 -8.275 -27.634 1.00 0.00 O ATOM 480 CB ALA A 35 33.724 -11.095 -29.063 1.00 0.00 C ATOM 0 H ALA A 35 31.753 -11.310 -30.509 1.00 0.00 H new ATOM 0 HA ALA A 35 32.036 -10.629 -27.826 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.462 -10.854 -28.298 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.517 -12.165 -29.044 1.00 0.00 H new ATOM 0 HB3 ALA A 35 34.114 -10.819 -30.043 1.00 0.00 H new ATOM 486 N SER A 36 32.770 -8.181 -29.876 1.00 0.00 N ATOM 487 CA SER A 36 33.035 -6.748 -29.941 1.00 0.00 C ATOM 488 C SER A 36 31.926 -5.972 -29.229 1.00 0.00 C ATOM 489 O SER A 36 32.194 -5.047 -28.460 1.00 0.00 O ATOM 490 CB SER A 36 33.149 -6.305 -31.407 1.00 0.00 C ATOM 491 OG SER A 36 33.688 -4.998 -31.517 1.00 0.00 O ATOM 0 H SER A 36 32.622 -8.624 -30.783 1.00 0.00 H new ATOM 0 HA SER A 36 33.978 -6.537 -29.437 1.00 0.00 H new ATOM 0 HB2 SER A 36 33.781 -7.007 -31.952 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.165 -6.334 -31.874 1.00 0.00 H new ATOM 0 HG SER A 36 33.749 -4.748 -32.463 1.00 0.00 H new ATOM 497 N GLN A 37 30.682 -6.376 -29.470 1.00 0.00 N ATOM 498 CA GLN A 37 29.532 -5.748 -28.830 1.00 0.00 C ATOM 499 C GLN A 37 29.533 -6.017 -27.332 1.00 0.00 C ATOM 500 O GLN A 37 29.264 -5.122 -26.538 1.00 0.00 O ATOM 501 CB GLN A 37 28.226 -6.249 -29.450 1.00 0.00 C ATOM 502 CG GLN A 37 27.617 -5.282 -30.455 1.00 0.00 C ATOM 503 CD GLN A 37 28.562 -4.927 -31.582 1.00 0.00 C ATOM 504 OE1 GLN A 37 29.348 -3.988 -31.478 1.00 0.00 O ATOM 505 NE2 GLN A 37 28.479 -5.664 -32.675 1.00 0.00 N ATOM 0 H GLN A 37 30.445 -7.138 -30.106 1.00 0.00 H new ATOM 0 HA GLN A 37 29.606 -4.673 -28.991 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.411 -7.203 -29.943 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.504 -6.435 -28.655 1.00 0.00 H new ATOM 0 HG2 GLN A 37 26.712 -5.723 -30.873 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.318 -4.370 -29.938 1.00 0.00 H new ATOM 0 HE21 GLN A 37 27.813 -6.435 -32.721 1.00 0.00 H new ATOM 0 HE22 GLN A 37 29.081 -5.462 -33.473 1.00 0.00 H new ATOM 514 N LEU A 38 29.850 -7.253 -26.958 1.00 0.00 N ATOM 515 CA LEU A 38 29.929 -7.640 -25.551 1.00 0.00 C ATOM 516 C LEU A 38 30.956 -6.793 -24.816 1.00 0.00 C ATOM 517 O LEU A 38 30.703 -6.308 -23.714 1.00 0.00 O ATOM 518 CB LEU A 38 30.303 -9.120 -25.424 1.00 0.00 C ATOM 519 CG LEU A 38 29.135 -10.111 -25.368 1.00 0.00 C ATOM 520 CD1 LEU A 38 28.146 -9.871 -26.496 1.00 0.00 C ATOM 521 CD2 LEU A 38 29.662 -11.536 -25.427 1.00 0.00 C ATOM 0 H LEU A 38 30.057 -8.008 -27.612 1.00 0.00 H new ATOM 0 HA LEU A 38 28.949 -7.477 -25.102 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.938 -9.387 -26.269 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.902 -9.246 -24.522 1.00 0.00 H new ATOM 0 HG LEU A 38 28.608 -9.958 -24.426 1.00 0.00 H new ATOM 0 HD11 LEU A 38 27.331 -10.592 -26.425 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.744 -8.861 -26.419 1.00 0.00 H new ATOM 0 HD13 LEU A 38 28.652 -9.988 -27.454 1.00 0.00 H new ATOM 0 HD21 LEU A 38 28.827 -12.235 -25.387 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.213 -11.682 -26.356 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.325 -11.714 -24.580 1.00 0.00 H new ATOM 533 N ASP A 39 32.110 -6.615 -25.447 1.00 0.00 N ATOM 534 CA ASP A 39 33.207 -5.856 -24.857 1.00 0.00 C ATOM 535 C ASP A 39 32.791 -4.425 -24.542 1.00 0.00 C ATOM 536 O ASP A 39 32.947 -3.956 -23.410 1.00 0.00 O ATOM 537 CB ASP A 39 34.406 -5.845 -25.798 1.00 0.00 C ATOM 538 CG ASP A 39 35.594 -5.119 -25.207 1.00 0.00 C ATOM 539 OD1 ASP A 39 36.285 -5.709 -24.346 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.855 -3.966 -25.613 1.00 0.00 O ATOM 0 H ASP A 39 32.312 -6.989 -26.374 1.00 0.00 H new ATOM 0 HA ASP A 39 33.481 -6.345 -23.922 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.690 -6.871 -26.033 1.00 0.00 H new ATOM 0 HB3 ASP A 39 34.123 -5.370 -26.737 1.00 0.00 H new ATOM 545 N ASP A 40 32.249 -3.739 -25.542 1.00 0.00 N ATOM 546 CA ASP A 40 31.829 -2.361 -25.381 1.00 0.00 C ATOM 547 C ASP A 40 30.664 -2.265 -24.414 1.00 0.00 C ATOM 548 O ASP A 40 30.672 -1.443 -23.499 1.00 0.00 O ATOM 549 CB ASP A 40 31.443 -1.755 -26.734 1.00 0.00 C ATOM 550 CG ASP A 40 32.644 -1.332 -27.557 1.00 0.00 C ATOM 551 OD1 ASP A 40 33.432 -0.487 -27.077 1.00 0.00 O ATOM 552 OD2 ASP A 40 32.795 -1.823 -28.696 1.00 0.00 O ATOM 0 H ASP A 40 32.092 -4.121 -26.475 1.00 0.00 H new ATOM 0 HA ASP A 40 32.667 -1.797 -24.972 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.860 -2.483 -27.299 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.800 -0.891 -26.569 1.00 0.00 H new ATOM 557 N MET A 41 29.676 -3.132 -24.595 1.00 0.00 N ATOM 558 CA MET A 41 28.493 -3.134 -23.758 1.00 0.00 C ATOM 559 C MET A 41 28.863 -3.331 -22.291 1.00 0.00 C ATOM 560 O MET A 41 28.317 -2.673 -21.406 1.00 0.00 O ATOM 561 CB MET A 41 27.556 -4.245 -24.213 1.00 0.00 C ATOM 562 CG MET A 41 26.212 -4.233 -23.523 1.00 0.00 C ATOM 563 SD MET A 41 25.137 -2.913 -24.117 1.00 0.00 S ATOM 564 CE MET A 41 24.758 -3.505 -25.766 1.00 0.00 C ATOM 0 H MET A 41 29.676 -3.847 -25.322 1.00 0.00 H new ATOM 0 HA MET A 41 27.994 -2.170 -23.854 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.402 -4.159 -25.289 1.00 0.00 H new ATOM 0 HB3 MET A 41 28.036 -5.207 -24.035 1.00 0.00 H new ATOM 0 HG2 MET A 41 25.720 -5.194 -23.677 1.00 0.00 H new ATOM 0 HG3 MET A 41 26.360 -4.120 -22.449 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.978 -2.883 -26.205 1.00 0.00 H new ATOM 0 HE2 MET A 41 25.654 -3.455 -26.385 1.00 0.00 H new ATOM 0 HE3 MET A 41 24.412 -4.537 -25.711 1.00 0.00 H new ATOM 574 N SER A 42 29.806 -4.229 -22.042 1.00 0.00 N ATOM 575 CA SER A 42 30.231 -4.531 -20.685 1.00 0.00 C ATOM 576 C SER A 42 30.943 -3.329 -20.077 1.00 0.00 C ATOM 577 O SER A 42 30.746 -3.007 -18.910 1.00 0.00 O ATOM 578 CB SER A 42 31.147 -5.759 -20.681 1.00 0.00 C ATOM 579 OG SER A 42 31.354 -6.248 -19.366 1.00 0.00 O ATOM 0 H SER A 42 30.291 -4.761 -22.764 1.00 0.00 H new ATOM 0 HA SER A 42 29.352 -4.753 -20.080 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.708 -6.544 -21.297 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.106 -5.500 -21.129 1.00 0.00 H new ATOM 0 HG SER A 42 31.941 -7.032 -19.397 1.00 0.00 H new ATOM 585 N THR A 43 31.741 -2.645 -20.884 1.00 0.00 N ATOM 586 CA THR A 43 32.496 -1.500 -20.406 1.00 0.00 C ATOM 587 C THR A 43 31.567 -0.321 -20.097 1.00 0.00 C ATOM 588 O THR A 43 31.732 0.364 -19.086 1.00 0.00 O ATOM 589 CB THR A 43 33.560 -1.065 -21.429 1.00 0.00 C ATOM 590 OG1 THR A 43 34.382 -2.190 -21.785 1.00 0.00 O ATOM 591 CG2 THR A 43 34.432 0.044 -20.859 1.00 0.00 C ATOM 0 H THR A 43 31.881 -2.864 -21.870 1.00 0.00 H new ATOM 0 HA THR A 43 32.999 -1.805 -19.489 1.00 0.00 H new ATOM 0 HB THR A 43 33.052 -0.688 -22.317 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.870 -2.803 -22.353 1.00 0.00 H new ATOM 0 HG21 THR A 43 35.178 0.337 -21.598 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.810 0.904 -20.610 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.934 -0.313 -19.960 1.00 0.00 H new ATOM 599 N ILE A 44 30.580 -0.101 -20.960 1.00 0.00 N ATOM 600 CA ILE A 44 29.622 0.985 -20.764 1.00 0.00 C ATOM 601 C ILE A 44 28.813 0.758 -19.495 1.00 0.00 C ATOM 602 O ILE A 44 28.394 1.709 -18.828 1.00 0.00 O ATOM 603 CB ILE A 44 28.661 1.126 -21.961 1.00 0.00 C ATOM 604 CG1 ILE A 44 29.448 1.348 -23.250 1.00 0.00 C ATOM 605 CG2 ILE A 44 27.685 2.271 -21.729 1.00 0.00 C ATOM 606 CD1 ILE A 44 30.373 2.544 -23.205 1.00 0.00 C ATOM 0 H ILE A 44 30.422 -0.658 -21.800 1.00 0.00 H new ATOM 0 HA ILE A 44 30.197 1.907 -20.676 1.00 0.00 H new ATOM 0 HB ILE A 44 28.091 0.202 -22.058 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.035 0.455 -23.464 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.747 1.474 -24.075 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.014 2.356 -22.584 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.102 2.076 -20.829 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.239 3.202 -21.608 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.896 2.635 -24.157 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.791 3.447 -23.023 1.00 0.00 H new ATOM 0 HD13 ILE A 44 31.099 2.412 -22.403 1.00 0.00 H new ATOM 618 N ALA A 45 28.597 -0.509 -19.177 1.00 0.00 N ATOM 619 CA ALA A 45 27.959 -0.891 -17.921 1.00 0.00 C ATOM 620 C ALA A 45 28.636 -0.190 -16.744 1.00 0.00 C ATOM 621 O ALA A 45 28.018 0.640 -16.076 1.00 0.00 O ATOM 622 CB ALA A 45 27.998 -2.401 -17.745 1.00 0.00 C ATOM 0 H ALA A 45 28.855 -1.296 -19.773 1.00 0.00 H new ATOM 0 HA ALA A 45 26.916 -0.577 -17.950 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.518 -2.670 -16.804 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.470 -2.877 -18.571 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.034 -2.739 -17.734 1.00 0.00 H new ATOM 628 N GLN A 46 29.912 -0.505 -16.515 1.00 0.00 N ATOM 629 CA GLN A 46 30.713 0.180 -15.509 1.00 0.00 C ATOM 630 C GLN A 46 30.648 1.698 -15.674 1.00 0.00 C ATOM 631 O GLN A 46 30.622 2.430 -14.688 1.00 0.00 O ATOM 632 CB GLN A 46 32.174 -0.273 -15.590 1.00 0.00 C ATOM 633 CG GLN A 46 32.414 -1.694 -15.105 1.00 0.00 C ATOM 634 CD GLN A 46 32.023 -2.754 -16.107 1.00 0.00 C ATOM 635 OE1 GLN A 46 32.808 -3.106 -16.989 1.00 0.00 O ATOM 636 NE2 GLN A 46 30.838 -3.318 -15.945 1.00 0.00 N ATOM 0 H GLN A 46 30.413 -1.237 -17.019 1.00 0.00 H new ATOM 0 HA GLN A 46 30.299 -0.080 -14.535 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.511 -0.192 -16.623 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.787 0.409 -15.000 1.00 0.00 H new ATOM 0 HG2 GLN A 46 33.470 -1.811 -14.860 1.00 0.00 H new ATOM 0 HG3 GLN A 46 31.853 -1.853 -14.184 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.218 -2.997 -15.202 1.00 0.00 H new ATOM 0 HE22 GLN A 46 30.544 -4.074 -16.563 1.00 0.00 H new ATOM 645 N SER A 47 30.607 2.165 -16.919 1.00 0.00 N ATOM 646 CA SER A 47 30.610 3.594 -17.203 1.00 0.00 C ATOM 647 C SER A 47 29.384 4.283 -16.592 1.00 0.00 C ATOM 648 O SER A 47 29.491 5.381 -16.040 1.00 0.00 O ATOM 649 CB SER A 47 30.664 3.835 -18.718 1.00 0.00 C ATOM 650 OG SER A 47 30.861 5.206 -19.022 1.00 0.00 O ATOM 0 H SER A 47 30.571 1.572 -17.748 1.00 0.00 H new ATOM 0 HA SER A 47 31.499 4.028 -16.746 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.472 3.246 -19.152 1.00 0.00 H new ATOM 0 HB3 SER A 47 29.737 3.490 -19.175 1.00 0.00 H new ATOM 0 HG SER A 47 30.892 5.324 -19.994 1.00 0.00 H new ATOM 656 N MET A 48 28.225 3.637 -16.666 1.00 0.00 N ATOM 657 CA MET A 48 27.008 4.216 -16.107 1.00 0.00 C ATOM 658 C MET A 48 26.961 3.982 -14.597 1.00 0.00 C ATOM 659 O MET A 48 26.404 4.786 -13.847 1.00 0.00 O ATOM 660 CB MET A 48 25.757 3.660 -16.808 1.00 0.00 C ATOM 661 CG MET A 48 25.323 2.276 -16.347 1.00 0.00 C ATOM 662 SD MET A 48 24.285 2.316 -14.870 1.00 0.00 S ATOM 663 CE MET A 48 22.864 3.228 -15.469 1.00 0.00 C ATOM 0 H MET A 48 28.102 2.723 -17.102 1.00 0.00 H new ATOM 0 HA MET A 48 27.020 5.292 -16.283 1.00 0.00 H new ATOM 0 HB2 MET A 48 24.932 4.354 -16.650 1.00 0.00 H new ATOM 0 HB3 MET A 48 25.945 3.627 -17.881 1.00 0.00 H new ATOM 0 HG2 MET A 48 24.779 1.785 -17.154 1.00 0.00 H new ATOM 0 HG3 MET A 48 26.208 1.672 -16.146 1.00 0.00 H new ATOM 0 HE1 MET A 48 22.024 3.079 -14.791 1.00 0.00 H new ATOM 0 HE2 MET A 48 23.107 4.289 -15.518 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.595 2.871 -16.463 1.00 0.00 H new ATOM 673 N VAL A 49 27.572 2.887 -14.152 1.00 0.00 N ATOM 674 CA VAL A 49 27.677 2.595 -12.728 1.00 0.00 C ATOM 675 C VAL A 49 28.589 3.607 -12.034 1.00 0.00 C ATOM 676 O VAL A 49 28.446 3.876 -10.840 1.00 0.00 O ATOM 677 CB VAL A 49 28.202 1.168 -12.473 1.00 0.00 C ATOM 678 CG1 VAL A 49 28.325 0.897 -10.982 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.292 0.138 -13.126 1.00 0.00 C ATOM 0 H VAL A 49 28.001 2.188 -14.758 1.00 0.00 H new ATOM 0 HA VAL A 49 26.672 2.669 -12.312 1.00 0.00 H new ATOM 0 HB VAL A 49 29.193 1.087 -12.919 1.00 0.00 H new ATOM 0 HG11 VAL A 49 28.697 -0.116 -10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.019 1.611 -10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 49 27.347 1.001 -10.511 1.00 0.00 H new ATOM 0 HG21 VAL A 49 27.679 -0.863 -12.935 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.288 0.224 -12.711 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.256 0.314 -14.201 1.00 0.00 H new ATOM 689 N GLN A 50 29.513 4.184 -12.792 1.00 0.00 N ATOM 690 CA GLN A 50 30.417 5.195 -12.256 1.00 0.00 C ATOM 691 C GLN A 50 29.648 6.382 -11.688 1.00 0.00 C ATOM 692 O GLN A 50 30.042 6.955 -10.672 1.00 0.00 O ATOM 693 CB GLN A 50 31.401 5.674 -13.330 1.00 0.00 C ATOM 694 CG GLN A 50 32.473 4.652 -13.668 1.00 0.00 C ATOM 695 CD GLN A 50 33.357 4.329 -12.481 1.00 0.00 C ATOM 696 OE1 GLN A 50 33.584 5.172 -11.612 1.00 0.00 O ATOM 697 NE2 GLN A 50 33.857 3.105 -12.430 1.00 0.00 N ATOM 0 H GLN A 50 29.656 3.970 -13.779 1.00 0.00 H new ATOM 0 HA GLN A 50 30.980 4.731 -11.446 1.00 0.00 H new ATOM 0 HB2 GLN A 50 30.847 5.920 -14.236 1.00 0.00 H new ATOM 0 HB3 GLN A 50 31.880 6.592 -12.989 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.000 3.737 -14.025 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.089 5.031 -14.484 1.00 0.00 H new ATOM 0 HE21 GLN A 50 33.645 2.436 -13.170 1.00 0.00 H new ATOM 0 HE22 GLN A 50 34.455 2.830 -11.650 1.00 0.00 H new ATOM 706 N SER A 51 28.542 6.739 -12.330 1.00 0.00 N ATOM 707 CA SER A 51 27.706 7.822 -11.835 1.00 0.00 C ATOM 708 C SER A 51 26.829 7.342 -10.678 1.00 0.00 C ATOM 709 O SER A 51 26.387 8.137 -9.846 1.00 0.00 O ATOM 710 CB SER A 51 26.867 8.418 -12.971 1.00 0.00 C ATOM 711 OG SER A 51 26.474 7.424 -13.907 1.00 0.00 O ATOM 0 H SER A 51 28.207 6.298 -13.187 1.00 0.00 H new ATOM 0 HA SER A 51 28.351 8.613 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 51 25.981 8.899 -12.556 1.00 0.00 H new ATOM 0 HB3 SER A 51 27.441 9.192 -13.481 1.00 0.00 H new ATOM 0 HG SER A 51 26.334 6.573 -13.441 1.00 0.00 H new ATOM 717 N ILE A 52 26.605 6.032 -10.620 1.00 0.00 N ATOM 718 CA ILE A 52 25.882 5.416 -9.510 1.00 0.00 C ATOM 719 C ILE A 52 26.721 5.515 -8.241 1.00 0.00 C ATOM 720 O ILE A 52 26.202 5.785 -7.155 1.00 0.00 O ATOM 721 CB ILE A 52 25.588 3.919 -9.771 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.895 3.706 -11.124 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.744 3.349 -8.642 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.435 4.098 -11.150 1.00 0.00 C ATOM 0 H ILE A 52 26.916 5.373 -11.333 1.00 0.00 H new ATOM 0 HA ILE A 52 24.936 5.947 -9.404 1.00 0.00 H new ATOM 0 HB ILE A 52 26.540 3.390 -9.806 1.00 0.00 H new ATOM 0 HG12 ILE A 52 25.426 4.280 -11.884 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.981 2.655 -11.400 1.00 0.00 H new ATOM 0 HG21 ILE A 52 24.542 2.295 -8.835 1.00 0.00 H new ATOM 0 HG22 ILE A 52 25.282 3.449 -7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.802 3.894 -8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 52 23.027 3.914 -12.144 1.00 0.00 H new ATOM 0 HD12 ILE A 52 22.886 3.507 -10.417 1.00 0.00 H new ATOM 0 HD13 ILE A 52 23.338 5.156 -10.908 1.00 0.00 H new ATOM 736 N GLN A 53 28.026 5.295 -8.404 1.00 0.00 N ATOM 737 CA GLN A 53 28.981 5.350 -7.300 1.00 0.00 C ATOM 738 C GLN A 53 28.815 6.637 -6.499 1.00 0.00 C ATOM 739 O GLN A 53 28.716 6.610 -5.273 1.00 0.00 O ATOM 740 CB GLN A 53 30.421 5.271 -7.824 1.00 0.00 C ATOM 741 CG GLN A 53 30.766 3.983 -8.564 1.00 0.00 C ATOM 742 CD GLN A 53 30.613 2.743 -7.706 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.408 1.604 -8.347 1.00 0.00 O flip ATOM 744 NE2 GLN A 53 30.715 2.801 -6.481 1.00 0.00 N flip ATOM 0 H GLN A 53 28.449 5.074 -9.305 1.00 0.00 H new ATOM 0 HA GLN A 53 28.782 4.496 -6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.596 6.114 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 53 31.105 5.384 -6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 53 30.124 3.892 -9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.793 4.043 -8.925 1.00 0.00 H new ATOM 0 HE21 GLN A 53 30.873 3.699 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 53 30.642 1.951 -5.922 1.00 0.00 H new ATOM 753 N SER A 54 28.765 7.760 -7.207 1.00 0.00 N ATOM 754 CA SER A 54 28.650 9.066 -6.575 1.00 0.00 C ATOM 755 C SER A 54 27.241 9.286 -6.030 1.00 0.00 C ATOM 756 O SER A 54 27.060 9.887 -4.971 1.00 0.00 O ATOM 757 CB SER A 54 28.992 10.162 -7.581 1.00 0.00 C ATOM 758 OG SER A 54 30.198 9.866 -8.269 1.00 0.00 O ATOM 0 H SER A 54 28.803 7.790 -8.226 1.00 0.00 H new ATOM 0 HA SER A 54 29.352 9.106 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.178 10.269 -8.298 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.089 11.117 -7.064 1.00 0.00 H new ATOM 0 HG SER A 54 30.394 10.582 -8.909 1.00 0.00 H new ATOM 764 N LEU A 55 26.248 8.782 -6.751 1.00 0.00 N ATOM 765 CA LEU A 55 24.849 8.952 -6.371 1.00 0.00 C ATOM 766 C LEU A 55 24.572 8.393 -4.979 1.00 0.00 C ATOM 767 O LEU A 55 23.982 9.074 -4.134 1.00 0.00 O ATOM 768 CB LEU A 55 23.942 8.277 -7.399 1.00 0.00 C ATOM 769 CG LEU A 55 23.305 9.220 -8.420 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.613 8.430 -9.520 1.00 0.00 C ATOM 771 CD2 LEU A 55 22.309 10.145 -7.734 1.00 0.00 C ATOM 0 H LEU A 55 26.386 8.248 -7.609 1.00 0.00 H new ATOM 0 HA LEU A 55 24.637 10.021 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.522 7.525 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 55 23.148 7.750 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 55 24.094 9.822 -8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.166 9.119 -10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.342 7.800 -10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.834 7.804 -9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 55 21.863 10.811 -8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 55 21.527 9.551 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 55 22.824 10.736 -6.976 1.00 0.00 H new ATOM 783 N ALA A 56 25.023 7.170 -4.735 1.00 0.00 N ATOM 784 CA ALA A 56 24.777 6.508 -3.458 1.00 0.00 C ATOM 785 C ALA A 56 25.785 6.940 -2.399 1.00 0.00 C ATOM 786 O ALA A 56 25.657 6.587 -1.227 1.00 0.00 O ATOM 787 CB ALA A 56 24.805 4.999 -3.631 1.00 0.00 C ATOM 0 H ALA A 56 25.560 6.616 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 56 23.787 6.807 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.620 4.519 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 56 24.034 4.700 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.782 4.694 -4.007 1.00 0.00 H new ATOM 793 N ALA A 57 26.776 7.720 -2.806 1.00 0.00 N ATOM 794 CA ALA A 57 27.783 8.207 -1.884 1.00 0.00 C ATOM 795 C ALA A 57 27.340 9.549 -1.349 1.00 0.00 C ATOM 796 O ALA A 57 27.592 9.895 -0.198 1.00 0.00 O ATOM 797 CB ALA A 57 29.138 8.319 -2.566 1.00 0.00 C ATOM 0 H ALA A 57 26.901 8.028 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 57 27.892 7.501 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 57 29.875 8.687 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.444 7.339 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.067 9.012 -3.404 1.00 0.00 H new ATOM 803 N GLN A 58 26.656 10.299 -2.199 1.00 0.00 N ATOM 804 CA GLN A 58 26.085 11.565 -1.798 1.00 0.00 C ATOM 805 C GLN A 58 24.773 11.338 -1.060 1.00 0.00 C ATOM 806 O GLN A 58 24.344 12.169 -0.260 1.00 0.00 O ATOM 807 CB GLN A 58 25.836 12.465 -3.008 1.00 0.00 C ATOM 808 CG GLN A 58 27.085 12.799 -3.804 1.00 0.00 C ATOM 809 CD GLN A 58 26.779 13.643 -5.023 1.00 0.00 C ATOM 810 OE1 GLN A 58 26.815 14.872 -4.970 1.00 0.00 O ATOM 811 NE2 GLN A 58 26.461 12.989 -6.126 1.00 0.00 N ATOM 0 H GLN A 58 26.485 10.048 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 58 26.798 12.058 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 58 25.118 11.977 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 58 25.377 13.393 -2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 58 27.790 13.330 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 58 27.572 11.875 -4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 58 26.443 11.969 -6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 58 26.233 13.504 -6.977 1.00 0.00 H new ATOM 820 N GLY A 59 24.149 10.198 -1.333 1.00 0.00 N ATOM 821 CA GLY A 59 22.851 9.907 -0.762 1.00 0.00 C ATOM 822 C GLY A 59 21.763 10.710 -1.440 1.00 0.00 C ATOM 823 O GLY A 59 20.883 11.261 -0.782 1.00 0.00 O ATOM 0 H GLY A 59 24.522 9.469 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.637 8.843 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.861 10.131 0.305 1.00 0.00 H new ATOM 827 N ARG A 60 21.830 10.780 -2.764 1.00 0.00 N ATOM 828 CA ARG A 60 20.908 11.607 -3.534 1.00 0.00 C ATOM 829 C ARG A 60 20.062 10.774 -4.483 1.00 0.00 C ATOM 830 O ARG A 60 19.372 11.312 -5.345 1.00 0.00 O ATOM 831 CB ARG A 60 21.678 12.659 -4.318 1.00 0.00 C ATOM 832 CG ARG A 60 22.351 13.691 -3.435 1.00 0.00 C ATOM 833 CD ARG A 60 22.899 14.828 -4.262 1.00 0.00 C ATOM 834 NE ARG A 60 23.515 15.864 -3.435 1.00 0.00 N ATOM 835 CZ ARG A 60 24.047 16.983 -3.923 1.00 0.00 C ATOM 836 NH1 ARG A 60 24.057 17.201 -5.233 1.00 0.00 N ATOM 837 NH2 ARG A 60 24.574 17.881 -3.101 1.00 0.00 N ATOM 0 H ARG A 60 22.513 10.274 -3.327 1.00 0.00 H new ATOM 0 HA ARG A 60 20.237 12.096 -2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 60 22.434 12.166 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.996 13.165 -5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.636 14.076 -2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 60 23.158 13.223 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 60 23.636 14.441 -4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 60 22.094 15.267 -4.852 1.00 0.00 H new ATOM 0 HE ARG A 60 23.539 15.722 -2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 60 23.657 16.510 -5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 60 24.465 18.059 -5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 60 24.572 17.715 -2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 60 24.981 18.738 -3.475 1.00 0.00 H new ATOM 851 N THR A 61 20.103 9.467 -4.315 1.00 0.00 N ATOM 852 CA THR A 61 19.371 8.567 -5.190 1.00 0.00 C ATOM 853 C THR A 61 17.866 8.681 -4.976 1.00 0.00 C ATOM 854 O THR A 61 17.326 8.219 -3.967 1.00 0.00 O ATOM 855 CB THR A 61 19.825 7.111 -4.980 1.00 0.00 C ATOM 856 OG1 THR A 61 19.995 6.855 -3.579 1.00 0.00 O ATOM 857 CG2 THR A 61 21.128 6.837 -5.709 1.00 0.00 C ATOM 0 H THR A 61 20.636 9.002 -3.580 1.00 0.00 H new ATOM 0 HA THR A 61 19.591 8.861 -6.216 1.00 0.00 H new ATOM 0 HB THR A 61 19.058 6.451 -5.385 1.00 0.00 H new ATOM 0 HG1 THR A 61 19.212 7.183 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.426 5.802 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 61 20.991 7.010 -6.776 1.00 0.00 H new ATOM 0 HG23 THR A 61 21.904 7.503 -5.330 1.00 0.00 H new ATOM 865 N SER A 62 17.203 9.326 -5.919 1.00 0.00 N ATOM 866 CA SER A 62 15.764 9.473 -5.882 1.00 0.00 C ATOM 867 C SER A 62 15.169 8.869 -7.151 1.00 0.00 C ATOM 868 O SER A 62 15.867 8.755 -8.161 1.00 0.00 O ATOM 869 CB SER A 62 15.393 10.957 -5.766 1.00 0.00 C ATOM 870 OG SER A 62 15.539 11.626 -7.008 1.00 0.00 O ATOM 0 H SER A 62 17.647 9.760 -6.728 1.00 0.00 H new ATOM 0 HA SER A 62 15.361 8.951 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.364 11.050 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.026 11.434 -5.017 1.00 0.00 H new ATOM 0 HG SER A 62 15.294 12.569 -6.902 1.00 0.00 H new ATOM 876 N PRO A 63 13.889 8.455 -7.126 1.00 0.00 N ATOM 877 CA PRO A 63 13.215 7.912 -8.312 1.00 0.00 C ATOM 878 C PRO A 63 13.252 8.894 -9.480 1.00 0.00 C ATOM 879 O PRO A 63 13.336 8.494 -10.639 1.00 0.00 O ATOM 880 CB PRO A 63 11.776 7.684 -7.841 1.00 0.00 C ATOM 881 CG PRO A 63 11.873 7.567 -6.360 1.00 0.00 C ATOM 882 CD PRO A 63 13.003 8.466 -5.948 1.00 0.00 C ATOM 0 HA PRO A 63 13.694 7.005 -8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.129 8.512 -8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.354 6.781 -8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.941 7.868 -5.883 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.065 6.536 -6.062 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.653 9.472 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.511 8.093 -5.059 1.00 0.00 H new ATOM 890 N ASN A 64 13.201 10.182 -9.152 1.00 0.00 N ATOM 891 CA ASN A 64 13.308 11.245 -10.148 1.00 0.00 C ATOM 892 C ASN A 64 14.664 11.177 -10.848 1.00 0.00 C ATOM 893 O ASN A 64 14.744 11.225 -12.079 1.00 0.00 O ATOM 894 CB ASN A 64 13.114 12.610 -9.467 1.00 0.00 C ATOM 895 CG ASN A 64 13.029 13.781 -10.438 1.00 0.00 C ATOM 896 OD1 ASN A 64 13.687 13.811 -11.475 1.00 0.00 O ATOM 897 ND2 ASN A 64 12.203 14.760 -10.100 1.00 0.00 N ATOM 0 H ASN A 64 13.085 10.517 -8.196 1.00 0.00 H new ATOM 0 HA ASN A 64 12.531 11.115 -10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.203 12.580 -8.869 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.941 12.782 -8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.098 15.572 -10.709 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.672 14.702 -9.231 1.00 0.00 H new ATOM 904 N LYS A 65 15.722 11.043 -10.054 1.00 0.00 N ATOM 905 CA LYS A 65 17.076 10.961 -10.585 1.00 0.00 C ATOM 906 C LYS A 65 17.266 9.701 -11.416 1.00 0.00 C ATOM 907 O LYS A 65 17.696 9.757 -12.566 1.00 0.00 O ATOM 908 CB LYS A 65 18.091 10.976 -9.457 1.00 0.00 C ATOM 909 CG LYS A 65 18.014 12.236 -8.637 1.00 0.00 C ATOM 910 CD LYS A 65 19.343 12.580 -8.028 1.00 0.00 C ATOM 911 CE LYS A 65 19.319 13.972 -7.438 1.00 0.00 C ATOM 912 NZ LYS A 65 19.278 15.027 -8.483 1.00 0.00 N ATOM 0 H LYS A 65 15.666 10.989 -9.037 1.00 0.00 H new ATOM 0 HA LYS A 65 17.231 11.830 -11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.926 10.114 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.094 10.876 -9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.677 13.060 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.272 12.113 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.591 11.856 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.123 12.515 -8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.450 14.074 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.202 14.115 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.533 15.943 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.953 14.793 -9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.319 15.084 -8.881 1.00 0.00 H new ATOM 926 N LEU A 66 16.914 8.568 -10.820 1.00 0.00 N ATOM 927 CA LEU A 66 17.154 7.258 -11.421 1.00 0.00 C ATOM 928 C LEU A 66 16.340 7.071 -12.697 1.00 0.00 C ATOM 929 O LEU A 66 16.710 6.296 -13.578 1.00 0.00 O ATOM 930 CB LEU A 66 16.819 6.164 -10.410 1.00 0.00 C ATOM 931 CG LEU A 66 17.531 6.299 -9.056 1.00 0.00 C ATOM 932 CD1 LEU A 66 17.255 5.091 -8.178 1.00 0.00 C ATOM 933 CD2 LEU A 66 19.029 6.498 -9.244 1.00 0.00 C ATOM 0 H LEU A 66 16.456 8.529 -9.910 1.00 0.00 H new ATOM 0 HA LEU A 66 18.207 7.192 -11.693 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.742 6.163 -10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.074 5.197 -10.844 1.00 0.00 H new ATOM 0 HG LEU A 66 17.134 7.182 -8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.770 5.209 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.182 5.006 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 66 17.615 4.190 -8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.509 6.591 -8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.446 5.642 -9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 66 19.206 7.404 -9.823 1.00 0.00 H new ATOM 945 N GLN A 67 15.230 7.786 -12.773 1.00 0.00 N ATOM 946 CA GLN A 67 14.382 7.811 -13.962 1.00 0.00 C ATOM 947 C GLN A 67 15.208 8.183 -15.194 1.00 0.00 C ATOM 948 O GLN A 67 15.088 7.560 -16.251 1.00 0.00 O ATOM 949 CB GLN A 67 13.251 8.821 -13.735 1.00 0.00 C ATOM 950 CG GLN A 67 12.055 8.693 -14.670 1.00 0.00 C ATOM 951 CD GLN A 67 12.250 9.371 -16.013 1.00 0.00 C ATOM 952 OE1 GLN A 67 12.040 10.577 -16.146 1.00 0.00 O ATOM 953 NE2 GLN A 67 12.593 8.599 -17.030 1.00 0.00 N ATOM 0 H GLN A 67 14.887 8.370 -12.010 1.00 0.00 H new ATOM 0 HA GLN A 67 13.955 6.824 -14.137 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.899 8.720 -12.708 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.661 9.826 -13.834 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.846 7.636 -14.835 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.178 9.119 -14.183 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.759 7.604 -16.881 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.692 8.999 -17.963 1.00 0.00 H new ATOM 962 N ALA A 68 16.059 9.187 -15.043 1.00 0.00 N ATOM 963 CA ALA A 68 16.930 9.631 -16.126 1.00 0.00 C ATOM 964 C ALA A 68 17.899 8.527 -16.542 1.00 0.00 C ATOM 965 O ALA A 68 18.108 8.288 -17.735 1.00 0.00 O ATOM 966 CB ALA A 68 17.691 10.882 -15.714 1.00 0.00 C ATOM 0 H ALA A 68 16.167 9.714 -14.176 1.00 0.00 H new ATOM 0 HA ALA A 68 16.305 9.869 -16.987 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.337 11.201 -16.532 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.984 11.677 -15.479 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.299 10.665 -14.836 1.00 0.00 H new ATOM 972 N LEU A 69 18.476 7.845 -15.554 1.00 0.00 N ATOM 973 CA LEU A 69 19.408 6.751 -15.806 1.00 0.00 C ATOM 974 C LEU A 69 18.735 5.623 -16.580 1.00 0.00 C ATOM 975 O LEU A 69 19.387 4.906 -17.335 1.00 0.00 O ATOM 976 CB LEU A 69 19.965 6.201 -14.485 1.00 0.00 C ATOM 977 CG LEU A 69 21.006 7.071 -13.768 1.00 0.00 C ATOM 978 CD1 LEU A 69 22.222 7.296 -14.650 1.00 0.00 C ATOM 979 CD2 LEU A 69 20.416 8.399 -13.323 1.00 0.00 C ATOM 0 H LEU A 69 18.312 8.034 -14.565 1.00 0.00 H new ATOM 0 HA LEU A 69 20.227 7.149 -16.406 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.130 6.037 -13.804 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.412 5.226 -14.682 1.00 0.00 H new ATOM 0 HG LEU A 69 21.321 6.532 -12.874 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.946 7.915 -14.120 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.676 6.336 -14.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.918 7.798 -15.568 1.00 0.00 H new ATOM 0 HD21 LEU A 69 21.183 8.987 -12.819 1.00 0.00 H new ATOM 0 HD22 LEU A 69 20.053 8.946 -14.193 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.589 8.218 -12.637 1.00 0.00 H new ATOM 991 N ASN A 70 17.430 5.484 -16.390 1.00 0.00 N ATOM 992 CA ASN A 70 16.651 4.438 -17.047 1.00 0.00 C ATOM 993 C ASN A 70 16.722 4.586 -18.567 1.00 0.00 C ATOM 994 O ASN A 70 17.021 3.633 -19.290 1.00 0.00 O ATOM 995 CB ASN A 70 15.194 4.514 -16.592 1.00 0.00 C ATOM 996 CG ASN A 70 14.550 3.151 -16.473 1.00 0.00 C ATOM 997 OD1 ASN A 70 15.204 2.175 -16.109 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.263 3.071 -16.777 1.00 0.00 N ATOM 0 H ASN A 70 16.881 6.089 -15.779 1.00 0.00 H new ATOM 0 HA ASN A 70 17.070 3.470 -16.770 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.144 5.021 -15.628 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.627 5.119 -17.300 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.779 2.176 -16.713 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.757 3.905 -17.075 1.00 0.00 H new ATOM 1005 N MET A 71 16.462 5.800 -19.039 1.00 0.00 N ATOM 1006 CA MET A 71 16.493 6.103 -20.467 1.00 0.00 C ATOM 1007 C MET A 71 17.917 6.054 -20.992 1.00 0.00 C ATOM 1008 O MET A 71 18.175 5.550 -22.088 1.00 0.00 O ATOM 1009 CB MET A 71 15.893 7.483 -20.717 1.00 0.00 C ATOM 1010 CG MET A 71 14.432 7.567 -20.332 1.00 0.00 C ATOM 1011 SD MET A 71 13.787 9.249 -20.371 1.00 0.00 S ATOM 1012 CE MET A 71 14.781 10.005 -19.087 1.00 0.00 C ATOM 0 H MET A 71 16.225 6.597 -18.448 1.00 0.00 H new ATOM 0 HA MET A 71 15.903 5.354 -20.995 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.456 8.226 -20.152 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.001 7.735 -21.772 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.847 6.944 -21.009 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.302 7.157 -19.330 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.300 10.922 -18.747 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.879 9.315 -18.249 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.770 10.239 -19.482 1.00 0.00 H new ATOM 1022 N ARG A 72 18.830 6.585 -20.196 1.00 0.00 N ATOM 1023 CA ARG A 72 20.254 6.554 -20.513 1.00 0.00 C ATOM 1024 C ARG A 72 20.725 5.117 -20.731 1.00 0.00 C ATOM 1025 O ARG A 72 21.420 4.820 -21.700 1.00 0.00 O ATOM 1026 CB ARG A 72 21.049 7.201 -19.378 1.00 0.00 C ATOM 1027 CG ARG A 72 22.550 7.204 -19.600 1.00 0.00 C ATOM 1028 CD ARG A 72 23.277 7.802 -18.408 1.00 0.00 C ATOM 1029 NE ARG A 72 24.730 7.764 -18.570 1.00 0.00 N ATOM 1030 CZ ARG A 72 25.599 7.845 -17.559 1.00 0.00 C ATOM 1031 NH1 ARG A 72 25.159 7.972 -16.310 1.00 0.00 N ATOM 1032 NH2 ARG A 72 26.901 7.815 -17.798 1.00 0.00 N ATOM 0 H ARG A 72 18.610 7.049 -19.315 1.00 0.00 H new ATOM 0 HA ARG A 72 20.421 7.113 -21.434 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.709 8.229 -19.250 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.830 6.675 -18.449 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.898 6.185 -19.768 1.00 0.00 H new ATOM 0 HG3 ARG A 72 22.787 7.774 -20.498 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.956 8.834 -18.269 1.00 0.00 H new ATOM 0 HD3 ARG A 72 23.000 7.258 -17.505 1.00 0.00 H new ATOM 0 HE ARG A 72 25.103 7.670 -19.515 1.00 0.00 H new ATOM 0 HH11 ARG A 72 24.157 8.008 -16.123 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.824 8.034 -15.539 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.242 7.730 -18.756 1.00 0.00 H new ATOM 0 HH22 ARG A 72 27.563 7.877 -17.025 1.00 0.00 H new ATOM 1046 N PHE A 73 20.323 4.235 -19.825 1.00 0.00 N ATOM 1047 CA PHE A 73 20.675 2.821 -19.894 1.00 0.00 C ATOM 1048 C PHE A 73 20.160 2.185 -21.184 1.00 0.00 C ATOM 1049 O PHE A 73 20.890 1.476 -21.871 1.00 0.00 O ATOM 1050 CB PHE A 73 20.100 2.105 -18.666 1.00 0.00 C ATOM 1051 CG PHE A 73 20.209 0.606 -18.695 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.443 -0.022 -18.745 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.066 -0.175 -18.657 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.530 -1.403 -18.760 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.147 -1.553 -18.670 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.382 -2.168 -18.721 1.00 0.00 C ATOM 0 H PHE A 73 19.744 4.479 -19.021 1.00 0.00 H new ATOM 0 HA PHE A 73 21.761 2.723 -19.898 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.611 2.474 -17.777 1.00 0.00 H new ATOM 0 HB3 PHE A 73 19.049 2.376 -18.565 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.345 0.571 -18.773 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.097 0.301 -18.617 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.497 -1.882 -18.802 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.247 -2.149 -18.640 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.450 -3.246 -18.730 1.00 0.00 H new ATOM 1066 N ALA A 74 18.908 2.460 -21.512 1.00 0.00 N ATOM 1067 CA ALA A 74 18.286 1.897 -22.701 1.00 0.00 C ATOM 1068 C ALA A 74 18.973 2.363 -23.983 1.00 0.00 C ATOM 1069 O ALA A 74 19.300 1.554 -24.852 1.00 0.00 O ATOM 1070 CB ALA A 74 16.812 2.258 -22.737 1.00 0.00 C ATOM 0 H ALA A 74 18.299 3.073 -20.969 1.00 0.00 H new ATOM 0 HA ALA A 74 18.395 0.814 -22.647 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.355 1.832 -23.630 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.318 1.859 -21.851 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.703 3.342 -22.755 1.00 0.00 H new ATOM 1076 N SER A 75 19.203 3.664 -24.093 1.00 0.00 N ATOM 1077 CA SER A 75 19.733 4.234 -25.323 1.00 0.00 C ATOM 1078 C SER A 75 21.211 3.903 -25.520 1.00 0.00 C ATOM 1079 O SER A 75 21.648 3.687 -26.648 1.00 0.00 O ATOM 1080 CB SER A 75 19.510 5.748 -25.346 1.00 0.00 C ATOM 1081 OG SER A 75 19.921 6.345 -24.126 1.00 0.00 O ATOM 0 H SER A 75 19.032 4.341 -23.350 1.00 0.00 H new ATOM 0 HA SER A 75 19.190 3.783 -26.154 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.065 6.188 -26.174 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.455 5.960 -25.521 1.00 0.00 H new ATOM 0 HG SER A 75 19.238 6.192 -23.440 1.00 0.00 H new ATOM 1087 N SER A 76 21.975 3.843 -24.435 1.00 0.00 N ATOM 1088 CA SER A 76 23.401 3.548 -24.535 1.00 0.00 C ATOM 1089 C SER A 76 23.628 2.147 -25.097 1.00 0.00 C ATOM 1090 O SER A 76 24.526 1.933 -25.914 1.00 0.00 O ATOM 1091 CB SER A 76 24.087 3.711 -23.177 1.00 0.00 C ATOM 1092 OG SER A 76 23.358 3.063 -22.151 1.00 0.00 O ATOM 0 H SER A 76 21.636 3.993 -23.485 1.00 0.00 H new ATOM 0 HA SER A 76 23.847 4.264 -25.226 1.00 0.00 H new ATOM 0 HB2 SER A 76 25.095 3.300 -23.225 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.186 4.771 -22.942 1.00 0.00 H new ATOM 0 HG SER A 76 22.720 3.693 -21.755 1.00 0.00 H new ATOM 1098 N MET A 77 22.798 1.200 -24.670 1.00 0.00 N ATOM 1099 CA MET A 77 22.845 -0.152 -25.212 1.00 0.00 C ATOM 1100 C MET A 77 22.433 -0.145 -26.678 1.00 0.00 C ATOM 1101 O MET A 77 22.997 -0.866 -27.496 1.00 0.00 O ATOM 1102 CB MET A 77 21.923 -1.090 -24.431 1.00 0.00 C ATOM 1103 CG MET A 77 22.304 -1.263 -22.971 1.00 0.00 C ATOM 1104 SD MET A 77 21.240 -2.438 -22.117 1.00 0.00 S ATOM 1105 CE MET A 77 19.648 -1.640 -22.296 1.00 0.00 C ATOM 0 H MET A 77 22.087 1.344 -23.953 1.00 0.00 H new ATOM 0 HA MET A 77 23.869 -0.513 -25.121 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.903 -0.708 -24.486 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.924 -2.067 -24.914 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.338 -1.600 -22.906 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.251 -0.297 -22.468 1.00 0.00 H new ATOM 0 HE1 MET A 77 18.880 -2.248 -21.817 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.679 -0.657 -21.826 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.414 -1.529 -23.355 1.00 0.00 H new ATOM 1115 N ALA A 78 21.450 0.690 -26.995 1.00 0.00 N ATOM 1116 CA ALA A 78 20.934 0.806 -28.354 1.00 0.00 C ATOM 1117 C ALA A 78 22.014 1.264 -29.327 1.00 0.00 C ATOM 1118 O ALA A 78 22.089 0.779 -30.454 1.00 0.00 O ATOM 1119 CB ALA A 78 19.754 1.763 -28.387 1.00 0.00 C ATOM 0 H ALA A 78 20.990 1.303 -26.321 1.00 0.00 H new ATOM 0 HA ALA A 78 20.602 -0.183 -28.670 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.377 1.841 -29.407 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.964 1.389 -27.736 1.00 0.00 H new ATOM 0 HB3 ALA A 78 20.073 2.746 -28.042 1.00 0.00 H new ATOM 1125 N GLU A 79 22.854 2.192 -28.878 1.00 0.00 N ATOM 1126 CA GLU A 79 23.951 2.707 -29.694 1.00 0.00 C ATOM 1127 C GLU A 79 24.884 1.575 -30.113 1.00 0.00 C ATOM 1128 O GLU A 79 25.397 1.551 -31.230 1.00 0.00 O ATOM 1129 CB GLU A 79 24.736 3.756 -28.910 1.00 0.00 C ATOM 1130 CG GLU A 79 23.882 4.922 -28.446 1.00 0.00 C ATOM 1131 CD GLU A 79 24.660 5.941 -27.643 1.00 0.00 C ATOM 1132 OE1 GLU A 79 24.796 5.758 -26.417 1.00 0.00 O ATOM 1133 OE2 GLU A 79 25.133 6.935 -28.231 1.00 0.00 O ATOM 0 H GLU A 79 22.796 2.606 -27.947 1.00 0.00 H new ATOM 0 HA GLU A 79 23.530 3.165 -30.589 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.195 3.283 -28.042 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.547 4.134 -29.533 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.442 5.411 -29.315 1.00 0.00 H new ATOM 0 HG3 GLU A 79 23.058 4.544 -27.842 1.00 0.00 H new ATOM 1140 N ILE A 80 25.087 0.646 -29.198 1.00 0.00 N ATOM 1141 CA ILE A 80 25.953 -0.505 -29.433 1.00 0.00 C ATOM 1142 C ILE A 80 25.223 -1.585 -30.232 1.00 0.00 C ATOM 1143 O ILE A 80 25.754 -2.132 -31.200 1.00 0.00 O ATOM 1144 CB ILE A 80 26.430 -1.099 -28.092 1.00 0.00 C ATOM 1145 CG1 ILE A 80 27.238 -0.061 -27.314 1.00 0.00 C ATOM 1146 CG2 ILE A 80 27.246 -2.366 -28.308 1.00 0.00 C ATOM 1147 CD1 ILE A 80 27.584 -0.497 -25.912 1.00 0.00 C ATOM 0 H ILE A 80 24.660 0.663 -28.272 1.00 0.00 H new ATOM 0 HA ILE A 80 26.814 -0.163 -30.007 1.00 0.00 H new ATOM 0 HB ILE A 80 25.551 -1.369 -27.507 1.00 0.00 H new ATOM 0 HG12 ILE A 80 28.158 0.153 -27.857 1.00 0.00 H new ATOM 0 HG13 ILE A 80 26.671 0.869 -27.268 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.568 -2.760 -27.344 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.635 -3.110 -28.819 1.00 0.00 H new ATOM 0 HG23 ILE A 80 28.121 -2.136 -28.916 1.00 0.00 H new ATOM 0 HD11 ILE A 80 28.157 0.287 -25.418 1.00 0.00 H new ATOM 0 HD12 ILE A 80 26.667 -0.684 -25.352 1.00 0.00 H new ATOM 0 HD13 ILE A 80 28.178 -1.410 -25.951 1.00 0.00 H new ATOM 1159 N ALA A 81 23.994 -1.870 -29.825 1.00 0.00 N ATOM 1160 CA ALA A 81 23.195 -2.930 -30.434 1.00 0.00 C ATOM 1161 C ALA A 81 22.756 -2.571 -31.855 1.00 0.00 C ATOM 1162 O ALA A 81 22.307 -3.432 -32.607 1.00 0.00 O ATOM 1163 CB ALA A 81 21.983 -3.231 -29.563 1.00 0.00 C ATOM 0 H ALA A 81 23.522 -1.377 -29.067 1.00 0.00 H new ATOM 0 HA ALA A 81 23.820 -3.820 -30.504 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.392 -4.022 -30.023 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.315 -3.553 -28.576 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.373 -2.333 -29.465 1.00 0.00 H new ATOM 1169 N ALA A 82 22.892 -1.301 -32.218 1.00 0.00 N ATOM 1170 CA ALA A 82 22.524 -0.835 -33.552 1.00 0.00 C ATOM 1171 C ALA A 82 23.392 -1.491 -34.626 1.00 0.00 C ATOM 1172 O ALA A 82 23.003 -1.577 -35.790 1.00 0.00 O ATOM 1173 CB ALA A 82 22.641 0.682 -33.634 1.00 0.00 C ATOM 0 H ALA A 82 23.256 -0.572 -31.605 1.00 0.00 H new ATOM 0 HA ALA A 82 21.488 -1.121 -33.734 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.364 1.015 -34.634 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.975 1.138 -32.902 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.668 0.980 -33.425 1.00 0.00 H new ATOM 1241 N SER A 89 20.225 -9.576 -36.338 1.00 0.00 N ATOM 1242 CA SER A 89 19.439 -8.355 -36.431 1.00 0.00 C ATOM 1243 C SER A 89 19.191 -7.730 -35.054 1.00 0.00 C ATOM 1244 O SER A 89 19.302 -8.398 -34.023 1.00 0.00 O ATOM 1245 CB SER A 89 18.117 -8.677 -37.129 1.00 0.00 C ATOM 1246 OG SER A 89 17.779 -10.048 -36.949 1.00 0.00 O ATOM 0 HA SER A 89 19.996 -7.619 -37.011 1.00 0.00 H new ATOM 0 HB2 SER A 89 17.324 -8.045 -36.728 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.197 -8.453 -38.193 1.00 0.00 H new ATOM 0 HG SER A 89 17.788 -10.264 -35.993 1.00 0.00 H new ATOM 1252 N LEU A 90 18.868 -6.442 -35.045 1.00 0.00 N ATOM 1253 CA LEU A 90 18.597 -5.722 -33.807 1.00 0.00 C ATOM 1254 C LEU A 90 17.344 -6.272 -33.137 1.00 0.00 C ATOM 1255 O LEU A 90 17.270 -6.327 -31.913 1.00 0.00 O ATOM 1256 CB LEU A 90 18.471 -4.214 -34.081 1.00 0.00 C ATOM 1257 CG LEU A 90 18.299 -3.290 -32.855 1.00 0.00 C ATOM 1258 CD1 LEU A 90 16.843 -3.189 -32.432 1.00 0.00 C ATOM 1259 CD2 LEU A 90 19.153 -3.758 -31.686 1.00 0.00 C ATOM 0 H LEU A 90 18.787 -5.872 -35.887 1.00 0.00 H new ATOM 0 HA LEU A 90 19.433 -5.868 -33.123 1.00 0.00 H new ATOM 0 HB2 LEU A 90 19.359 -3.893 -34.625 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.619 -4.060 -34.743 1.00 0.00 H new ATOM 0 HG LEU A 90 18.637 -2.298 -33.154 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.760 -2.531 -31.567 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.253 -2.784 -33.254 1.00 0.00 H new ATOM 0 HD13 LEU A 90 16.470 -4.180 -32.171 1.00 0.00 H new ATOM 0 HD21 LEU A 90 19.010 -3.087 -30.839 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.859 -4.769 -31.402 1.00 0.00 H new ATOM 0 HD23 LEU A 90 20.203 -3.754 -31.978 1.00 0.00 H new ATOM 1271 N SER A 91 16.374 -6.694 -33.940 1.00 0.00 N ATOM 1272 CA SER A 91 15.179 -7.344 -33.414 1.00 0.00 C ATOM 1273 C SER A 91 15.567 -8.540 -32.547 1.00 0.00 C ATOM 1274 O SER A 91 14.919 -8.840 -31.545 1.00 0.00 O ATOM 1275 CB SER A 91 14.281 -7.792 -34.566 1.00 0.00 C ATOM 1276 OG SER A 91 13.998 -6.706 -35.432 1.00 0.00 O ATOM 0 H SER A 91 16.391 -6.598 -34.955 1.00 0.00 H new ATOM 0 HA SER A 91 14.631 -6.632 -32.797 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.769 -8.591 -35.124 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.351 -8.201 -34.171 1.00 0.00 H new ATOM 0 HG SER A 91 13.423 -7.013 -36.164 1.00 0.00 H new ATOM 1282 N THR A 92 16.651 -9.198 -32.931 1.00 0.00 N ATOM 1283 CA THR A 92 17.190 -10.309 -32.171 1.00 0.00 C ATOM 1284 C THR A 92 17.935 -9.788 -30.938 1.00 0.00 C ATOM 1285 O THR A 92 17.774 -10.303 -29.829 1.00 0.00 O ATOM 1286 CB THR A 92 18.158 -11.132 -33.043 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.654 -11.205 -34.386 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.338 -12.536 -32.486 1.00 0.00 C ATOM 0 H THR A 92 17.178 -8.976 -33.776 1.00 0.00 H new ATOM 0 HA THR A 92 16.364 -10.945 -31.854 1.00 0.00 H new ATOM 0 HB THR A 92 19.129 -10.636 -33.040 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.255 -11.754 -34.932 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.026 -13.094 -33.121 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.743 -12.477 -31.476 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.374 -13.044 -32.461 1.00 0.00 H new ATOM 1296 N LYS A 93 18.735 -8.744 -31.145 1.00 0.00 N ATOM 1297 CA LYS A 93 19.534 -8.150 -30.078 1.00 0.00 C ATOM 1298 C LYS A 93 18.664 -7.598 -28.947 1.00 0.00 C ATOM 1299 O LYS A 93 18.860 -7.954 -27.786 1.00 0.00 O ATOM 1300 CB LYS A 93 20.427 -7.035 -30.628 1.00 0.00 C ATOM 1301 CG LYS A 93 21.631 -7.522 -31.422 1.00 0.00 C ATOM 1302 CD LYS A 93 22.460 -6.341 -31.904 1.00 0.00 C ATOM 1303 CE LYS A 93 23.839 -6.749 -32.400 1.00 0.00 C ATOM 1304 NZ LYS A 93 23.783 -7.605 -33.610 1.00 0.00 N ATOM 0 H LYS A 93 18.847 -8.289 -32.051 1.00 0.00 H new ATOM 0 HA LYS A 93 20.156 -8.946 -29.668 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.826 -6.387 -31.266 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.779 -6.426 -29.796 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.244 -8.176 -30.801 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.297 -8.113 -32.275 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.926 -5.833 -32.707 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.570 -5.624 -31.090 1.00 0.00 H new ATOM 0 HE2 LYS A 93 24.421 -5.854 -32.620 1.00 0.00 H new ATOM 0 HE3 LYS A 93 24.363 -7.282 -31.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 24.449 -7.244 -34.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 24.041 -8.580 -33.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.819 -7.592 -34.000 1.00 0.00 H new ATOM 1318 N THR A 94 17.707 -6.734 -29.286 1.00 0.00 N ATOM 1319 CA THR A 94 16.859 -6.098 -28.278 1.00 0.00 C ATOM 1320 C THR A 94 16.096 -7.136 -27.442 1.00 0.00 C ATOM 1321 O THR A 94 15.959 -6.983 -26.226 1.00 0.00 O ATOM 1322 CB THR A 94 15.870 -5.086 -28.917 1.00 0.00 C ATOM 1323 OG1 THR A 94 15.138 -4.395 -27.898 1.00 0.00 O ATOM 1324 CG2 THR A 94 14.889 -5.771 -29.859 1.00 0.00 C ATOM 0 H THR A 94 17.500 -6.459 -30.246 1.00 0.00 H new ATOM 0 HA THR A 94 17.523 -5.548 -27.611 1.00 0.00 H new ATOM 0 HB THR A 94 16.463 -4.377 -29.494 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.519 -3.759 -28.314 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.215 -5.028 -30.285 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.439 -6.264 -30.661 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.311 -6.511 -29.306 1.00 0.00 H new ATOM 1332 N SER A 95 15.633 -8.203 -28.086 1.00 0.00 N ATOM 1333 CA SER A 95 14.925 -9.267 -27.396 1.00 0.00 C ATOM 1334 C SER A 95 15.862 -10.001 -26.437 1.00 0.00 C ATOM 1335 O SER A 95 15.456 -10.434 -25.355 1.00 0.00 O ATOM 1336 CB SER A 95 14.350 -10.233 -28.427 1.00 0.00 C ATOM 1337 OG SER A 95 13.534 -9.550 -29.366 1.00 0.00 O ATOM 0 H SER A 95 15.738 -8.351 -29.090 1.00 0.00 H new ATOM 0 HA SER A 95 14.113 -8.839 -26.808 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.162 -10.741 -28.947 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.765 -11.002 -27.923 1.00 0.00 H new ATOM 0 HG SER A 95 14.098 -9.152 -30.061 1.00 0.00 H new ATOM 1343 N SER A 96 17.120 -10.114 -26.838 1.00 0.00 N ATOM 1344 CA SER A 96 18.136 -10.761 -26.024 1.00 0.00 C ATOM 1345 C SER A 96 18.418 -9.946 -24.765 1.00 0.00 C ATOM 1346 O SER A 96 18.565 -10.498 -23.672 1.00 0.00 O ATOM 1347 CB SER A 96 19.417 -10.931 -26.836 1.00 0.00 C ATOM 1348 OG SER A 96 19.178 -11.698 -28.005 1.00 0.00 O ATOM 0 H SER A 96 17.463 -9.762 -27.732 1.00 0.00 H new ATOM 0 HA SER A 96 17.768 -11.742 -25.722 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.810 -9.952 -27.112 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.177 -11.419 -26.226 1.00 0.00 H new ATOM 0 HG SER A 96 18.869 -11.109 -28.725 1.00 0.00 H new ATOM 1354 N ILE A 97 18.471 -8.628 -24.932 1.00 0.00 N ATOM 1355 CA ILE A 97 18.734 -7.717 -23.826 1.00 0.00 C ATOM 1356 C ILE A 97 17.691 -7.886 -22.727 1.00 0.00 C ATOM 1357 O ILE A 97 18.034 -8.057 -21.559 1.00 0.00 O ATOM 1358 CB ILE A 97 18.743 -6.246 -24.301 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.846 -6.029 -25.340 1.00 0.00 C ATOM 1360 CG2 ILE A 97 18.933 -5.301 -23.123 1.00 0.00 C ATOM 1361 CD1 ILE A 97 19.900 -4.619 -25.887 1.00 0.00 C ATOM 0 H ILE A 97 18.334 -8.165 -25.831 1.00 0.00 H new ATOM 0 HA ILE A 97 19.719 -7.964 -23.430 1.00 0.00 H new ATOM 0 HB ILE A 97 17.780 -6.029 -24.763 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.809 -6.272 -24.890 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.696 -6.724 -26.166 1.00 0.00 H new ATOM 0 HG21 ILE A 97 18.936 -4.271 -23.480 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.117 -5.436 -22.413 1.00 0.00 H new ATOM 0 HG23 ILE A 97 19.882 -5.518 -22.632 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.706 -4.543 -26.617 1.00 0.00 H new ATOM 0 HD12 ILE A 97 18.951 -4.378 -26.367 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.082 -3.919 -25.071 1.00 0.00 H new ATOM 1373 N ALA A 98 16.420 -7.872 -23.115 1.00 0.00 N ATOM 1374 CA ALA A 98 15.326 -7.956 -22.153 1.00 0.00 C ATOM 1375 C ALA A 98 15.371 -9.254 -21.350 1.00 0.00 C ATOM 1376 O ALA A 98 15.124 -9.251 -20.143 1.00 0.00 O ATOM 1377 CB ALA A 98 13.989 -7.820 -22.858 1.00 0.00 C ATOM 0 H ALA A 98 16.122 -7.803 -24.088 1.00 0.00 H new ATOM 0 HA ALA A 98 15.446 -7.131 -21.451 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.184 -7.885 -22.126 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.942 -6.856 -23.365 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.880 -8.621 -23.589 1.00 0.00 H new ATOM 1383 N SER A 99 15.716 -10.359 -22.004 1.00 0.00 N ATOM 1384 CA SER A 99 15.758 -11.639 -21.329 1.00 0.00 C ATOM 1385 C SER A 99 16.946 -11.666 -20.375 1.00 0.00 C ATOM 1386 O SER A 99 16.872 -12.231 -19.285 1.00 0.00 O ATOM 1387 CB SER A 99 15.847 -12.777 -22.349 1.00 0.00 C ATOM 1388 OG SER A 99 15.627 -14.041 -21.742 1.00 0.00 O ATOM 0 H SER A 99 15.967 -10.388 -22.992 1.00 0.00 H new ATOM 0 HA SER A 99 14.842 -11.778 -20.755 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.111 -12.618 -23.137 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.829 -12.766 -22.823 1.00 0.00 H new ATOM 0 HG SER A 99 15.689 -14.745 -22.421 1.00 0.00 H new ATOM 1394 N ALA A 100 18.032 -11.021 -20.789 1.00 0.00 N ATOM 1395 CA ALA A 100 19.218 -10.904 -19.954 1.00 0.00 C ATOM 1396 C ALA A 100 18.945 -9.998 -18.760 1.00 0.00 C ATOM 1397 O ALA A 100 19.481 -10.216 -17.675 1.00 0.00 O ATOM 1398 CB ALA A 100 20.391 -10.378 -20.767 1.00 0.00 C ATOM 0 H ALA A 100 18.113 -10.571 -21.701 1.00 0.00 H new ATOM 0 HA ALA A 100 19.475 -11.895 -19.580 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.270 -10.297 -20.127 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.602 -11.064 -21.587 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.143 -9.396 -21.170 1.00 0.00 H new ATOM 1404 N MET A 101 18.104 -8.989 -18.963 1.00 0.00 N ATOM 1405 CA MET A 101 17.734 -8.068 -17.900 1.00 0.00 C ATOM 1406 C MET A 101 16.890 -8.772 -16.844 1.00 0.00 C ATOM 1407 O MET A 101 17.122 -8.615 -15.645 1.00 0.00 O ATOM 1408 CB MET A 101 16.975 -6.885 -18.486 1.00 0.00 C ATOM 1409 CG MET A 101 17.874 -5.880 -19.188 1.00 0.00 C ATOM 1410 SD MET A 101 16.984 -4.871 -20.382 1.00 0.00 S ATOM 1411 CE MET A 101 15.491 -4.532 -19.469 1.00 0.00 C ATOM 0 H MET A 101 17.664 -8.790 -19.862 1.00 0.00 H new ATOM 0 HA MET A 101 18.642 -7.706 -17.419 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.232 -7.254 -19.194 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.431 -6.380 -17.688 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.338 -5.232 -18.445 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.679 -6.411 -19.695 1.00 0.00 H new ATOM 0 HE1 MET A 101 14.851 -3.869 -20.051 1.00 0.00 H new ATOM 0 HE2 MET A 101 14.964 -5.466 -19.274 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.744 -4.053 -18.523 1.00 0.00 H new ATOM 1421 N SER A 102 15.921 -9.559 -17.302 1.00 0.00 N ATOM 1422 CA SER A 102 15.087 -10.351 -16.404 1.00 0.00 C ATOM 1423 C SER A 102 15.956 -11.326 -15.613 1.00 0.00 C ATOM 1424 O SER A 102 15.848 -11.431 -14.391 1.00 0.00 O ATOM 1425 CB SER A 102 14.025 -11.113 -17.209 1.00 0.00 C ATOM 1426 OG SER A 102 13.205 -11.911 -16.370 1.00 0.00 O ATOM 0 H SER A 102 15.694 -9.665 -18.291 1.00 0.00 H new ATOM 0 HA SER A 102 14.582 -9.685 -15.705 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.405 -10.404 -17.756 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.514 -11.746 -17.949 1.00 0.00 H new ATOM 0 HG SER A 102 12.539 -12.381 -16.914 1.00 0.00 H new ATOM 1432 N ASN A 103 16.832 -12.018 -16.328 1.00 0.00 N ATOM 1433 CA ASN A 103 17.770 -12.952 -15.719 1.00 0.00 C ATOM 1434 C ASN A 103 18.704 -12.241 -14.740 1.00 0.00 C ATOM 1435 O ASN A 103 19.078 -12.806 -13.717 1.00 0.00 O ATOM 1436 CB ASN A 103 18.561 -13.671 -16.822 1.00 0.00 C ATOM 1437 CG ASN A 103 19.850 -14.308 -16.335 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.844 -15.400 -15.766 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.970 -13.653 -16.607 1.00 0.00 N ATOM 0 H ASN A 103 16.913 -11.949 -17.342 1.00 0.00 H new ATOM 0 HA ASN A 103 17.211 -13.691 -15.145 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.930 -14.442 -17.265 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.795 -12.958 -17.612 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.871 -14.052 -16.343 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.931 -12.750 -17.080 1.00 0.00 H new ATOM 1446 N ALA A 104 19.057 -10.999 -15.043 1.00 0.00 N ATOM 1447 CA ALA A 104 19.934 -10.222 -14.177 1.00 0.00 C ATOM 1448 C ALA A 104 19.256 -9.888 -12.851 1.00 0.00 C ATOM 1449 O ALA A 104 19.847 -10.064 -11.784 1.00 0.00 O ATOM 1450 CB ALA A 104 20.379 -8.955 -14.878 1.00 0.00 C ATOM 0 H ALA A 104 18.749 -10.508 -15.882 1.00 0.00 H new ATOM 0 HA ALA A 104 20.811 -10.831 -13.957 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.034 -8.385 -14.219 1.00 0.00 H new ATOM 0 HB2 ALA A 104 20.918 -9.214 -15.789 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.506 -8.353 -15.131 1.00 0.00 H new ATOM 1456 N PHE A 105 18.015 -9.408 -12.916 1.00 0.00 N ATOM 1457 CA PHE A 105 17.239 -9.142 -11.705 1.00 0.00 C ATOM 1458 C PHE A 105 17.082 -10.416 -10.892 1.00 0.00 C ATOM 1459 O PHE A 105 17.128 -10.399 -9.658 1.00 0.00 O ATOM 1460 CB PHE A 105 15.853 -8.584 -12.043 1.00 0.00 C ATOM 1461 CG PHE A 105 15.839 -7.117 -12.353 1.00 0.00 C ATOM 1462 CD1 PHE A 105 16.238 -6.198 -11.397 1.00 0.00 C ATOM 1463 CD2 PHE A 105 15.421 -6.655 -13.590 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.223 -4.845 -11.669 1.00 0.00 C ATOM 1465 CE2 PHE A 105 15.402 -5.301 -13.868 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.804 -4.395 -12.906 1.00 0.00 C ATOM 0 H PHE A 105 17.528 -9.197 -13.787 1.00 0.00 H new ATOM 0 HA PHE A 105 17.781 -8.397 -11.122 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.453 -9.128 -12.899 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.183 -8.773 -11.204 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.565 -6.544 -10.427 1.00 0.00 H new ATOM 0 HD2 PHE A 105 15.107 -7.360 -14.345 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.539 -4.139 -10.915 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.073 -4.952 -14.836 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.791 -3.337 -13.121 1.00 0.00 H new ATOM 1476 N LEU A 106 16.912 -11.519 -11.601 1.00 0.00 N ATOM 1477 CA LEU A 106 16.723 -12.818 -11.003 1.00 0.00 C ATOM 1478 C LEU A 106 17.914 -13.240 -10.141 1.00 0.00 C ATOM 1479 O LEU A 106 17.756 -14.006 -9.192 1.00 0.00 O ATOM 1480 CB LEU A 106 16.501 -13.814 -12.128 1.00 0.00 C ATOM 1481 CG LEU A 106 15.595 -14.986 -11.808 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.305 -14.509 -11.150 1.00 0.00 C ATOM 1483 CD2 LEU A 106 15.291 -15.726 -13.087 1.00 0.00 C ATOM 0 H LEU A 106 16.902 -11.531 -12.621 1.00 0.00 H new ATOM 0 HA LEU A 106 15.862 -12.783 -10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 106 16.084 -13.280 -12.982 1.00 0.00 H new ATOM 0 HB3 LEU A 106 17.471 -14.204 -12.438 1.00 0.00 H new ATOM 0 HG LEU A 106 16.098 -15.652 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.670 -15.367 -10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.541 -13.985 -10.224 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.780 -13.834 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.639 -16.573 -12.871 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.794 -15.054 -13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.220 -16.087 -13.528 1.00 0.00 H new ATOM 1495 N GLN A 107 19.100 -12.736 -10.461 1.00 0.00 N ATOM 1496 CA GLN A 107 20.301 -13.122 -9.729 1.00 0.00 C ATOM 1497 C GLN A 107 20.595 -12.142 -8.601 1.00 0.00 C ATOM 1498 O GLN A 107 21.099 -12.526 -7.546 1.00 0.00 O ATOM 1499 CB GLN A 107 21.514 -13.190 -10.662 1.00 0.00 C ATOM 1500 CG GLN A 107 21.246 -13.910 -11.972 1.00 0.00 C ATOM 1501 CD GLN A 107 20.648 -15.289 -11.781 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.946 -15.988 -10.815 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.771 -15.673 -12.693 1.00 0.00 N ATOM 0 H GLN A 107 19.256 -12.066 -11.214 1.00 0.00 H new ATOM 0 HA GLN A 107 20.116 -14.109 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.850 -12.176 -10.879 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.331 -13.692 -10.144 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.569 -13.308 -12.579 1.00 0.00 H new ATOM 0 HG3 GLN A 107 22.179 -13.999 -12.528 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.552 -15.062 -13.480 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.313 -16.581 -12.610 1.00 0.00 H new ATOM 1512 N THR A 108 20.262 -10.877 -8.821 1.00 0.00 N ATOM 1513 CA THR A 108 20.613 -9.823 -7.890 1.00 0.00 C ATOM 1514 C THR A 108 19.581 -9.689 -6.778 1.00 0.00 C ATOM 1515 O THR A 108 19.927 -9.475 -5.617 1.00 0.00 O ATOM 1516 CB THR A 108 20.750 -8.479 -8.628 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.674 -8.334 -9.566 1.00 0.00 O ATOM 1518 CG2 THR A 108 22.083 -8.394 -9.358 1.00 0.00 C ATOM 0 H THR A 108 19.747 -10.559 -9.642 1.00 0.00 H new ATOM 0 HA THR A 108 21.568 -10.092 -7.440 1.00 0.00 H new ATOM 0 HB THR A 108 20.709 -7.675 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.871 -8.854 -10.373 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.156 -7.435 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.898 -8.484 -8.639 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.151 -9.202 -10.086 1.00 0.00 H new ATOM 1526 N THR A 109 18.314 -9.828 -7.136 1.00 0.00 N ATOM 1527 CA THR A 109 17.234 -9.624 -6.186 1.00 0.00 C ATOM 1528 C THR A 109 16.446 -10.911 -5.966 1.00 0.00 C ATOM 1529 O THR A 109 15.929 -11.159 -4.873 1.00 0.00 O ATOM 1530 CB THR A 109 16.278 -8.521 -6.681 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.544 -8.984 -7.822 1.00 0.00 O ATOM 1532 CG2 THR A 109 17.059 -7.274 -7.064 1.00 0.00 C ATOM 0 H THR A 109 18.010 -10.081 -8.076 1.00 0.00 H new ATOM 0 HA THR A 109 17.682 -9.318 -5.240 1.00 0.00 H new ATOM 0 HB THR A 109 15.587 -8.278 -5.874 1.00 0.00 H new ATOM 0 HG1 THR A 109 16.150 -9.453 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 109 16.369 -6.505 -7.411 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.605 -6.906 -6.196 1.00 0.00 H new ATOM 0 HG23 THR A 109 17.763 -7.516 -7.860 1.00 0.00 H new ATOM 1540 N GLY A 110 16.359 -11.722 -7.013 1.00 0.00 N ATOM 1541 CA GLY A 110 15.577 -12.939 -6.951 1.00 0.00 C ATOM 1542 C GLY A 110 14.184 -12.734 -7.505 1.00 0.00 C ATOM 1543 O GLY A 110 13.416 -13.685 -7.661 1.00 0.00 O ATOM 0 H GLY A 110 16.819 -11.556 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.081 -13.725 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.512 -13.278 -5.917 1.00 0.00 H new ATOM 1547 N VAL A 111 13.866 -11.486 -7.817 1.00 0.00 N ATOM 1548 CA VAL A 111 12.552 -11.133 -8.332 1.00 0.00 C ATOM 1549 C VAL A 111 12.688 -10.457 -9.690 1.00 0.00 C ATOM 1550 O VAL A 111 13.678 -9.776 -9.956 1.00 0.00 O ATOM 1551 CB VAL A 111 11.800 -10.182 -7.373 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.335 -10.047 -7.772 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.926 -10.652 -5.931 1.00 0.00 C ATOM 0 H VAL A 111 14.505 -10.697 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 111 11.980 -12.056 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 111 12.262 -9.198 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.830 -9.372 -7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.269 -9.646 -8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.857 -11.026 -7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.388 -9.966 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.502 -11.652 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.978 -10.675 -5.647 1.00 0.00 H new ATOM 1563 N VAL A 112 11.701 -10.656 -10.543 1.00 0.00 N ATOM 1564 CA VAL A 112 11.697 -10.037 -11.858 1.00 0.00 C ATOM 1565 C VAL A 112 11.046 -8.656 -11.803 1.00 0.00 C ATOM 1566 O VAL A 112 9.826 -8.535 -11.684 1.00 0.00 O ATOM 1567 CB VAL A 112 10.964 -10.911 -12.901 1.00 0.00 C ATOM 1568 CG1 VAL A 112 10.991 -10.249 -14.274 1.00 0.00 C ATOM 1569 CG2 VAL A 112 11.587 -12.298 -12.967 1.00 0.00 C ATOM 0 H VAL A 112 10.889 -11.243 -10.350 1.00 0.00 H new ATOM 0 HA VAL A 112 12.738 -9.936 -12.166 1.00 0.00 H new ATOM 0 HB VAL A 112 9.924 -11.013 -12.590 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.470 -10.881 -14.993 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.498 -9.278 -14.220 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.025 -10.114 -14.592 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.058 -12.900 -13.706 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.636 -12.213 -13.251 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.514 -12.777 -11.990 1.00 0.00 H new ATOM 1579 N ASN A 113 11.874 -7.623 -11.869 1.00 0.00 N ATOM 1580 CA ASN A 113 11.391 -6.248 -11.890 1.00 0.00 C ATOM 1581 C ASN A 113 10.951 -5.882 -13.307 1.00 0.00 C ATOM 1582 O ASN A 113 11.757 -5.477 -14.144 1.00 0.00 O ATOM 1583 CB ASN A 113 12.484 -5.303 -11.382 1.00 0.00 C ATOM 1584 CG ASN A 113 12.056 -3.850 -11.356 1.00 0.00 C ATOM 1585 OD1 ASN A 113 10.873 -3.531 -11.255 1.00 0.00 O ATOM 1586 ND2 ASN A 113 13.030 -2.957 -11.419 1.00 0.00 N ATOM 0 H ASN A 113 12.889 -7.711 -11.909 1.00 0.00 H new ATOM 0 HA ASN A 113 10.530 -6.149 -11.229 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.778 -5.606 -10.377 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.365 -5.404 -12.016 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.812 -1.961 -11.384 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.999 -3.264 -11.503 1.00 0.00 H new ATOM 1593 N GLN A 114 9.660 -6.054 -13.559 1.00 0.00 N ATOM 1594 CA GLN A 114 9.096 -5.964 -14.905 1.00 0.00 C ATOM 1595 C GLN A 114 8.963 -4.524 -15.440 1.00 0.00 C ATOM 1596 O GLN A 114 9.352 -4.274 -16.581 1.00 0.00 O ATOM 1597 CB GLN A 114 7.733 -6.663 -14.942 1.00 0.00 C ATOM 1598 CG GLN A 114 7.092 -6.695 -16.319 1.00 0.00 C ATOM 1599 CD GLN A 114 7.931 -7.442 -17.338 1.00 0.00 C ATOM 1600 OE1 GLN A 114 7.812 -8.655 -17.483 1.00 0.00 O ATOM 1601 NE2 GLN A 114 8.778 -6.722 -18.055 1.00 0.00 N ATOM 0 H GLN A 114 8.971 -6.260 -12.836 1.00 0.00 H new ATOM 0 HA GLN A 114 9.805 -6.464 -15.565 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.851 -7.686 -14.584 1.00 0.00 H new ATOM 0 HB3 GLN A 114 7.059 -6.158 -14.250 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.111 -7.165 -16.248 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.932 -5.674 -16.665 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.847 -5.716 -17.904 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.362 -7.173 -18.759 1.00 0.00 H new ATOM 1610 N PRO A 115 8.401 -3.565 -14.655 1.00 0.00 N ATOM 1611 CA PRO A 115 8.095 -2.208 -15.147 1.00 0.00 C ATOM 1612 C PRO A 115 9.213 -1.576 -15.975 1.00 0.00 C ATOM 1613 O PRO A 115 8.977 -1.084 -17.078 1.00 0.00 O ATOM 1614 CB PRO A 115 7.876 -1.413 -13.864 1.00 0.00 C ATOM 1615 CG PRO A 115 7.335 -2.409 -12.904 1.00 0.00 C ATOM 1616 CD PRO A 115 8.004 -3.716 -13.237 1.00 0.00 C ATOM 0 HA PRO A 115 7.242 -2.224 -15.826 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.807 -0.977 -13.502 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.178 -0.590 -14.020 1.00 0.00 H new ATOM 0 HG2 PRO A 115 7.546 -2.114 -11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.252 -2.491 -12.996 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.868 -3.896 -12.598 1.00 0.00 H new ATOM 0 HD3 PRO A 115 7.325 -4.558 -13.100 1.00 0.00 H new ATOM 1624 N PHE A 116 10.431 -1.625 -15.459 1.00 0.00 N ATOM 1625 CA PHE A 116 11.550 -0.952 -16.098 1.00 0.00 C ATOM 1626 C PHE A 116 11.960 -1.674 -17.375 1.00 0.00 C ATOM 1627 O PHE A 116 12.479 -1.061 -18.303 1.00 0.00 O ATOM 1628 CB PHE A 116 12.731 -0.842 -15.130 1.00 0.00 C ATOM 1629 CG PHE A 116 12.443 0.031 -13.937 1.00 0.00 C ATOM 1630 CD1 PHE A 116 11.805 -0.485 -12.822 1.00 0.00 C ATOM 1631 CD2 PHE A 116 12.809 1.367 -13.935 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.537 0.312 -11.727 1.00 0.00 C ATOM 1633 CE2 PHE A 116 12.544 2.170 -12.842 1.00 0.00 C ATOM 1634 CZ PHE A 116 11.907 1.641 -11.736 1.00 0.00 C ATOM 0 H PHE A 116 10.669 -2.123 -14.601 1.00 0.00 H new ATOM 0 HA PHE A 116 11.235 0.055 -16.370 1.00 0.00 H new ATOM 0 HB2 PHE A 116 13.003 -1.839 -14.785 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.594 -0.443 -15.664 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.513 -1.525 -12.809 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.307 1.786 -14.797 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.038 -0.104 -10.864 1.00 0.00 H new ATOM 0 HE2 PHE A 116 12.835 3.210 -12.852 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.699 2.266 -10.880 1.00 0.00 H new ATOM 1644 N ILE A 117 11.693 -2.972 -17.437 1.00 0.00 N ATOM 1645 CA ILE A 117 12.027 -3.748 -18.620 1.00 0.00 C ATOM 1646 C ILE A 117 11.160 -3.316 -19.803 1.00 0.00 C ATOM 1647 O ILE A 117 11.622 -3.265 -20.943 1.00 0.00 O ATOM 1648 CB ILE A 117 11.876 -5.271 -18.375 1.00 0.00 C ATOM 1649 CG1 ILE A 117 12.853 -5.730 -17.281 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.097 -6.053 -19.667 1.00 0.00 C ATOM 1651 CD1 ILE A 117 12.908 -7.233 -17.089 1.00 0.00 C ATOM 0 H ILE A 117 11.250 -3.504 -16.688 1.00 0.00 H new ATOM 0 HA ILE A 117 13.074 -3.553 -18.852 1.00 0.00 H new ATOM 0 HB ILE A 117 10.859 -5.470 -18.036 1.00 0.00 H new ATOM 0 HG12 ILE A 117 13.852 -5.369 -17.527 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.569 -5.264 -16.337 1.00 0.00 H new ATOM 0 HG21 ILE A 117 11.986 -7.119 -19.470 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.363 -5.743 -20.410 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.100 -5.856 -20.044 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.620 -7.473 -16.300 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.920 -7.601 -16.811 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.223 -7.707 -18.019 1.00 0.00 H new ATOM 1663 N ASN A 118 9.913 -2.962 -19.512 1.00 0.00 N ATOM 1664 CA ASN A 118 8.985 -2.508 -20.544 1.00 0.00 C ATOM 1665 C ASN A 118 9.382 -1.125 -21.044 1.00 0.00 C ATOM 1666 O ASN A 118 9.153 -0.777 -22.202 1.00 0.00 O ATOM 1667 CB ASN A 118 7.552 -2.469 -20.007 1.00 0.00 C ATOM 1668 CG ASN A 118 7.008 -3.845 -19.669 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.362 -4.844 -20.296 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.143 -3.909 -18.669 1.00 0.00 N ATOM 0 H ASN A 118 9.521 -2.980 -18.571 1.00 0.00 H new ATOM 0 HA ASN A 118 9.030 -3.215 -21.372 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.521 -1.843 -19.115 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.905 -2.000 -20.748 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.746 -4.808 -18.395 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.873 -3.060 -18.173 1.00 0.00 H new ATOM 1677 N GLU A 119 9.973 -0.335 -20.156 1.00 0.00 N ATOM 1678 CA GLU A 119 10.451 0.990 -20.511 1.00 0.00 C ATOM 1679 C GLU A 119 11.692 0.900 -21.398 1.00 0.00 C ATOM 1680 O GLU A 119 11.739 1.493 -22.477 1.00 0.00 O ATOM 1681 CB GLU A 119 10.759 1.796 -19.244 1.00 0.00 C ATOM 1682 CG GLU A 119 9.546 1.998 -18.346 1.00 0.00 C ATOM 1683 CD GLU A 119 9.857 2.812 -17.105 1.00 0.00 C ATOM 1684 OE1 GLU A 119 10.330 3.959 -17.246 1.00 0.00 O ATOM 1685 OE2 GLU A 119 9.627 2.312 -15.983 1.00 0.00 O ATOM 0 H GLU A 119 10.132 -0.593 -19.182 1.00 0.00 H new ATOM 0 HA GLU A 119 9.668 1.500 -21.072 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.539 1.286 -18.679 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.157 2.770 -19.530 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.760 2.496 -18.913 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.156 1.025 -18.047 1.00 0.00 H new ATOM 1692 N ILE A 120 12.682 0.139 -20.939 1.00 0.00 N ATOM 1693 CA ILE A 120 13.955 -0.001 -21.642 1.00 0.00 C ATOM 1694 C ILE A 120 13.782 -0.555 -23.062 1.00 0.00 C ATOM 1695 O ILE A 120 14.312 0.017 -24.013 1.00 0.00 O ATOM 1696 CB ILE A 120 14.941 -0.893 -20.837 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.733 -0.060 -19.824 1.00 0.00 C ATOM 1698 CG2 ILE A 120 15.905 -1.629 -21.758 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.888 0.691 -18.825 1.00 0.00 C ATOM 0 H ILE A 120 12.625 -0.396 -20.073 1.00 0.00 H new ATOM 0 HA ILE A 120 14.373 1.002 -21.730 1.00 0.00 H new ATOM 0 HB ILE A 120 14.342 -1.630 -20.301 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.411 -0.720 -19.282 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.351 0.655 -20.367 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.580 -2.243 -21.162 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.342 -2.266 -22.440 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.484 -0.905 -22.332 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.535 1.251 -18.150 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.229 1.381 -19.352 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.289 -0.016 -18.251 1.00 0.00 H new ATOM 1711 N THR A 121 13.027 -1.645 -23.200 1.00 0.00 N ATOM 1712 CA THR A 121 12.895 -2.342 -24.483 1.00 0.00 C ATOM 1713 C THR A 121 12.445 -1.411 -25.607 1.00 0.00 C ATOM 1714 O THR A 121 13.048 -1.388 -26.687 1.00 0.00 O ATOM 1715 CB THR A 121 11.906 -3.515 -24.370 1.00 0.00 C ATOM 1716 OG1 THR A 121 10.777 -3.125 -23.577 1.00 0.00 O ATOM 1717 CG2 THR A 121 12.576 -4.729 -23.753 1.00 0.00 C ATOM 0 H THR A 121 12.496 -2.066 -22.438 1.00 0.00 H new ATOM 0 HA THR A 121 13.887 -2.719 -24.732 1.00 0.00 H new ATOM 0 HB THR A 121 11.570 -3.780 -25.372 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.974 -3.278 -22.629 1.00 0.00 H new ATOM 0 HG21 THR A 121 11.857 -5.545 -23.683 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.416 -5.037 -24.376 1.00 0.00 H new ATOM 0 HG23 THR A 121 12.937 -4.478 -22.756 1.00 0.00 H new ATOM 1725 N GLN A 122 11.403 -0.636 -25.339 1.00 0.00 N ATOM 1726 CA GLN A 122 10.851 0.280 -26.331 1.00 0.00 C ATOM 1727 C GLN A 122 11.869 1.345 -26.720 1.00 0.00 C ATOM 1728 O GLN A 122 11.962 1.739 -27.885 1.00 0.00 O ATOM 1729 CB GLN A 122 9.577 0.933 -25.794 1.00 0.00 C ATOM 1730 CG GLN A 122 8.469 -0.063 -25.482 1.00 0.00 C ATOM 1731 CD GLN A 122 7.898 -0.727 -26.723 1.00 0.00 C ATOM 1732 OE1 GLN A 122 8.577 -0.882 -27.738 1.00 0.00 O ATOM 1733 NE2 GLN A 122 6.643 -1.134 -26.646 1.00 0.00 N ATOM 0 H GLN A 122 10.921 -0.623 -24.440 1.00 0.00 H new ATOM 0 HA GLN A 122 10.605 -0.294 -27.225 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.818 1.491 -24.889 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.211 1.654 -26.526 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.857 -0.831 -24.812 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.667 0.449 -24.950 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.111 -0.988 -25.788 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.206 -1.594 -27.445 1.00 0.00 H new ATOM 1742 N LEU A 123 12.644 1.791 -25.742 1.00 0.00 N ATOM 1743 CA LEU A 123 13.665 2.800 -25.975 1.00 0.00 C ATOM 1744 C LEU A 123 14.826 2.214 -26.770 1.00 0.00 C ATOM 1745 O LEU A 123 15.323 2.847 -27.699 1.00 0.00 O ATOM 1746 CB LEU A 123 14.159 3.368 -24.643 1.00 0.00 C ATOM 1747 CG LEU A 123 13.093 4.065 -23.793 1.00 0.00 C ATOM 1748 CD1 LEU A 123 13.672 4.481 -22.450 1.00 0.00 C ATOM 1749 CD2 LEU A 123 12.526 5.273 -24.525 1.00 0.00 C ATOM 0 H LEU A 123 12.584 1.468 -24.776 1.00 0.00 H new ATOM 0 HA LEU A 123 13.227 3.610 -26.558 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.592 2.556 -24.059 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.961 4.078 -24.845 1.00 0.00 H new ATOM 0 HG LEU A 123 12.281 3.359 -23.617 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.901 4.975 -21.859 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.028 3.599 -21.918 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.503 5.168 -22.609 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.770 5.753 -23.903 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.328 5.981 -24.734 1.00 0.00 H new ATOM 0 HD23 LEU A 123 12.073 4.951 -25.463 1.00 0.00 H new ATOM 1761 N VAL A 124 15.242 1.002 -26.415 1.00 0.00 N ATOM 1762 CA VAL A 124 16.332 0.330 -27.120 1.00 0.00 C ATOM 1763 C VAL A 124 16.033 0.233 -28.607 1.00 0.00 C ATOM 1764 O VAL A 124 16.810 0.702 -29.434 1.00 0.00 O ATOM 1765 CB VAL A 124 16.591 -1.093 -26.582 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.684 -1.780 -27.389 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.977 -1.052 -25.116 1.00 0.00 C ATOM 0 H VAL A 124 14.843 0.465 -25.645 1.00 0.00 H new ATOM 0 HA VAL A 124 17.223 0.935 -26.950 1.00 0.00 H new ATOM 0 HB VAL A 124 15.668 -1.664 -26.683 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.852 -2.782 -26.994 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.378 -1.848 -28.433 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.606 -1.203 -27.318 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.155 -2.066 -24.758 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.884 -0.460 -24.995 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.170 -0.600 -24.540 1.00 0.00 H new ATOM 1777 N SER A 125 14.895 -0.363 -28.930 1.00 0.00 N ATOM 1778 CA SER A 125 14.505 -0.577 -30.314 1.00 0.00 C ATOM 1779 C SER A 125 14.440 0.749 -31.070 1.00 0.00 C ATOM 1780 O SER A 125 14.975 0.875 -32.174 1.00 0.00 O ATOM 1781 CB SER A 125 13.152 -1.295 -30.357 1.00 0.00 C ATOM 1782 OG SER A 125 12.793 -1.656 -31.682 1.00 0.00 O ATOM 0 H SER A 125 14.222 -0.709 -28.246 1.00 0.00 H new ATOM 0 HA SER A 125 15.254 -1.200 -30.803 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.194 -2.189 -29.735 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.383 -0.648 -29.935 1.00 0.00 H new ATOM 0 HG SER A 125 11.926 -2.113 -31.673 1.00 0.00 H new ATOM 1788 N MET A 126 13.812 1.742 -30.451 1.00 0.00 N ATOM 1789 CA MET A 126 13.627 3.044 -31.071 1.00 0.00 C ATOM 1790 C MET A 126 14.961 3.762 -31.278 1.00 0.00 C ATOM 1791 O MET A 126 15.273 4.197 -32.386 1.00 0.00 O ATOM 1792 CB MET A 126 12.699 3.900 -30.211 1.00 0.00 C ATOM 1793 CG MET A 126 12.441 5.280 -30.777 1.00 0.00 C ATOM 1794 SD MET A 126 11.350 6.260 -29.729 1.00 0.00 S ATOM 1795 CE MET A 126 12.328 6.348 -28.232 1.00 0.00 C ATOM 0 H MET A 126 13.420 1.666 -29.512 1.00 0.00 H new ATOM 0 HA MET A 126 13.177 2.890 -32.052 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.747 3.382 -30.094 1.00 0.00 H new ATOM 0 HB3 MET A 126 13.132 4.001 -29.216 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.390 5.803 -30.899 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.999 5.186 -31.769 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.964 7.163 -27.607 1.00 0.00 H new ATOM 0 HE2 MET A 126 12.244 5.408 -27.687 1.00 0.00 H new ATOM 0 HE3 MET A 126 13.372 6.527 -28.489 1.00 0.00 H new ATOM 1805 N PHE A 127 15.749 3.871 -30.213 1.00 0.00 N ATOM 1806 CA PHE A 127 17.008 4.607 -30.263 1.00 0.00 C ATOM 1807 C PHE A 127 18.033 3.909 -31.160 1.00 0.00 C ATOM 1808 O PHE A 127 18.861 4.567 -31.789 1.00 0.00 O ATOM 1809 CB PHE A 127 17.572 4.812 -28.848 1.00 0.00 C ATOM 1810 CG PHE A 127 16.854 5.870 -28.051 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.692 7.151 -28.559 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.355 5.588 -26.790 1.00 0.00 C ATOM 1813 CE1 PHE A 127 16.044 8.125 -27.825 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.704 6.559 -26.051 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.549 7.829 -26.569 1.00 0.00 C ATOM 0 H PHE A 127 15.538 3.459 -29.304 1.00 0.00 H new ATOM 0 HA PHE A 127 16.802 5.585 -30.699 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.521 3.867 -28.307 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.626 5.080 -28.923 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.077 7.389 -29.540 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.476 4.597 -26.378 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.924 9.118 -28.232 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.318 6.324 -25.070 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.042 8.590 -25.994 1.00 0.00 H new ATOM 1825 N ALA A 128 17.967 2.582 -31.231 1.00 0.00 N ATOM 1826 CA ALA A 128 18.877 1.820 -32.081 1.00 0.00 C ATOM 1827 C ALA A 128 18.581 2.065 -33.556 1.00 0.00 C ATOM 1828 O ALA A 128 19.476 2.408 -34.329 1.00 0.00 O ATOM 1829 CB ALA A 128 18.786 0.333 -31.771 1.00 0.00 C ATOM 0 H ALA A 128 17.296 2.014 -30.713 1.00 0.00 H new ATOM 0 HA ALA A 128 19.891 2.160 -31.871 1.00 0.00 H new ATOM 0 HB1 ALA A 128 19.472 -0.216 -32.416 1.00 0.00 H new ATOM 0 HB2 ALA A 128 19.053 0.162 -30.728 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.768 -0.014 -31.947 1.00 0.00 H new ATOM 1835 N GLN A 129 17.320 1.892 -33.940 1.00 0.00 N ATOM 1836 CA GLN A 129 16.905 2.085 -35.325 1.00 0.00 C ATOM 1837 C GLN A 129 17.111 3.530 -35.770 1.00 0.00 C ATOM 1838 O GLN A 129 17.457 3.789 -36.925 1.00 0.00 O ATOM 1839 CB GLN A 129 15.445 1.674 -35.500 1.00 0.00 C ATOM 1840 CG GLN A 129 15.221 0.179 -35.351 1.00 0.00 C ATOM 1841 CD GLN A 129 13.761 -0.211 -35.462 1.00 0.00 C ATOM 1842 OE1 GLN A 129 12.968 0.466 -36.119 1.00 0.00 O ATOM 1843 NE2 GLN A 129 13.400 -1.325 -34.846 1.00 0.00 N ATOM 0 H GLN A 129 16.566 1.618 -33.310 1.00 0.00 H new ATOM 0 HA GLN A 129 17.528 1.451 -35.956 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.836 2.201 -34.766 1.00 0.00 H new ATOM 0 HB3 GLN A 129 15.101 1.990 -36.485 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.792 -0.347 -36.116 1.00 0.00 H new ATOM 0 HG3 GLN A 129 15.607 -0.147 -34.385 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.086 -1.858 -34.312 1.00 0.00 H new ATOM 0 HE22 GLN A 129 12.435 -1.651 -34.906 1.00 0.00 H new