USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=41 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 121 THR OG1 : rot -86:sc= 0.581 USER MOD Set 1.2: A 122 GLN : amide:sc= -0.104 X(o=0.48,f=0.28) USER MOD Set 2.1: A 103 ASN : amide:sc= 0.0453 K(o=0.03,f=-0.66) USER MOD Set 2.2: A 107 GLN : amide:sc= -0.0153 K(o=0.03,f=-0.66) USER MOD Set 3.1: A 30 MET CE :methyl 176:sc= -1.55 (180deg=-1.68) USER MOD Set 3.2: A 99 SER OG : rot 180:sc= -0.0251 USER MOD Set 4.1: A 67 GLN : amide:sc= -0.75 K(o=-2.2,f=-3.5!) USER MOD Set 4.2: A 71 MET CE :methyl -166:sc= -1.49 (180deg=-1.66) USER MOD Set 5.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 65 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.11) USER MOD Set 6.1: A 21 ASN : amide:sc= 0.267 K(o=0.27,f=-0.38) USER MOD Set 6.2: A 25 GLN : amide:sc= 0 X(o=0.27,f=-0.11) USER MOD Set 7.1: A 11 THR OG1 : rot -87:sc= 0.0726 USER MOD Set 7.2: A 12 ASN : amide:sc= -0.347 K(o=-0.27,f=-3.9!) USER MOD Single : A 8 THR OG1 : rot -21:sc= 0.599 USER MOD Single : A 18 ASN : amide:sc= 1.24 K(o=1.2,f=-0.27) USER MOD Single : A 20 MET CE :methyl -115:sc= -4.4! (180deg=-4.97!) USER MOD Single : A 22 SER OG : rot -78:sc= 0.922 USER MOD Single : A 24 MET CE :methyl 165:sc= -0.854 (180deg=-1.28) USER MOD Single : A 28 SER OG : rot -83:sc= 1.14 USER MOD Single : A 29 SER OG : rot 89:sc= 0.333 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0963 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.544 K(o=-0.54,f=-5.7!) USER MOD Single : A 41 MET CE :methyl -146:sc= -0.239 (180deg=-2.55) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 75:sc= 0.683 USER MOD Single : A 46 GLN : amide:sc= -0.07 X(o=-0.07,f=-0.07) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -124:sc= -0.197 (180deg=-0.484) USER MOD Single : A 50 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.19) USER MOD Single : A 51 SER OG : rot 66:sc= 1.21 USER MOD Single : A 53 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.74) USER MOD Single : A 54 SER OG : rot 73:sc= 0.394 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 64 ASN : amide:sc= -0.98 K(o=-0.98,f=-6.9!) USER MOD Single : A 70 ASN : amide:sc= -3.62! C(o=-3.6!,f=-6.6!) USER MOD Single : A 75 SER OG : rot -81:sc= 1.08 USER MOD Single : A 76 SER OG : rot -88:sc= 1.21 USER MOD Single : A 77 MET CE :methyl -175:sc= -1.3 (180deg=-1.5) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0994 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -136:sc=-0.00809 (180deg=-1.16) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 95:sc= 0.00161 USER MOD Single : A 96 SER OG : rot 116:sc= -1.41! USER MOD Single : A 101 MET CE :methyl 176:sc= -2.33 (180deg=-2.4) USER MOD Single : A 102 SER OG : rot 73:sc= 1.2 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 109 THR OG1 : rot -17:sc= 0.618 USER MOD Single : A 113 ASN : amide:sc= -1.77! C(o=-1.8!,f=-6.2!) USER MOD Single : A 114 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.076) USER MOD Single : A 118 ASN :FLIP amide:sc= -0.592 F(o=-1.3,f=-0.59) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 165:sc= -0.0615 (180deg=-0.506) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.457 -0.186 -7.527 1.00 0.00 N ATOM 82 CA THR A 8 14.990 -0.235 -8.875 1.00 0.00 C ATOM 83 C THR A 8 16.306 -1.000 -8.867 1.00 0.00 C ATOM 84 O THR A 8 16.896 -1.189 -7.809 1.00 0.00 O ATOM 85 CB THR A 8 15.236 1.182 -9.425 1.00 0.00 C ATOM 86 OG1 THR A 8 15.509 2.083 -8.344 1.00 0.00 O ATOM 87 CG2 THR A 8 14.048 1.676 -10.230 1.00 0.00 C ATOM 0 HA THR A 8 14.263 -0.735 -9.515 1.00 0.00 H new ATOM 0 HB THR A 8 16.098 1.143 -10.091 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.157 1.709 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.254 2.679 -10.604 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.873 1.004 -11.070 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.163 1.700 -9.595 1.00 0.00 H new ATOM 95 N PRO A 9 16.798 -1.454 -10.030 1.00 0.00 N ATOM 96 CA PRO A 9 18.116 -2.090 -10.111 1.00 0.00 C ATOM 97 C PRO A 9 19.233 -1.129 -9.710 1.00 0.00 C ATOM 98 O PRO A 9 20.353 -1.546 -9.432 1.00 0.00 O ATOM 99 CB PRO A 9 18.246 -2.483 -11.587 1.00 0.00 C ATOM 100 CG PRO A 9 17.244 -1.645 -12.307 1.00 0.00 C ATOM 101 CD PRO A 9 16.119 -1.418 -11.337 1.00 0.00 C ATOM 0 HA PRO A 9 18.203 -2.939 -9.433 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.254 -2.295 -11.957 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.046 -3.545 -11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.683 -0.699 -12.624 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.888 -2.148 -13.206 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.624 -0.462 -11.509 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.355 -2.191 -11.417 1.00 0.00 H new ATOM 109 N TRP A 10 18.906 0.159 -9.660 1.00 0.00 N ATOM 110 CA TRP A 10 19.886 1.187 -9.335 1.00 0.00 C ATOM 111 C TRP A 10 19.720 1.661 -7.889 1.00 0.00 C ATOM 112 O TRP A 10 20.317 2.658 -7.488 1.00 0.00 O ATOM 113 CB TRP A 10 19.740 2.387 -10.280 1.00 0.00 C ATOM 114 CG TRP A 10 19.417 2.030 -11.705 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.381 2.524 -12.446 1.00 0.00 C ATOM 116 CD2 TRP A 10 20.116 1.112 -12.561 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.394 1.978 -13.704 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.447 1.108 -13.799 1.00 0.00 C ATOM 119 CE3 TRP A 10 21.242 0.296 -12.405 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.864 0.321 -14.871 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.653 -0.486 -13.469 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.968 -0.466 -14.688 1.00 0.00 C ATOM 0 H TRP A 10 17.967 0.515 -9.841 1.00 0.00 H new ATOM 0 HA TRP A 10 20.877 0.750 -9.455 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.956 3.040 -9.897 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.668 2.959 -10.265 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.656 3.242 -12.092 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.728 2.186 -14.448 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.781 0.277 -11.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.335 0.332 -15.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.518 -1.123 -13.357 1.00 0.00 H new ATOM 0 HH2 TRP A 10 21.318 -1.084 -15.501 1.00 0.00 H new ATOM 133 N THR A 11 18.910 0.943 -7.109 1.00 0.00 N ATOM 134 CA THR A 11 18.627 1.333 -5.727 1.00 0.00 C ATOM 135 C THR A 11 19.901 1.380 -4.890 1.00 0.00 C ATOM 136 O THR A 11 20.092 2.277 -4.068 1.00 0.00 O ATOM 137 CB THR A 11 17.605 0.377 -5.059 1.00 0.00 C ATOM 138 OG1 THR A 11 17.362 0.776 -3.705 1.00 0.00 O ATOM 139 CG2 THR A 11 18.088 -1.068 -5.071 1.00 0.00 C ATOM 0 H THR A 11 18.439 0.090 -7.410 1.00 0.00 H new ATOM 0 HA THR A 11 18.194 2.332 -5.768 1.00 0.00 H new ATOM 0 HB THR A 11 16.683 0.438 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.026 0.359 -3.117 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.343 -1.705 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.237 -1.393 -6.101 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.030 -1.141 -4.527 1.00 0.00 H new ATOM 147 N ASN A 12 20.772 0.414 -5.109 1.00 0.00 N ATOM 148 CA ASN A 12 22.006 0.319 -4.356 1.00 0.00 C ATOM 149 C ASN A 12 23.169 0.094 -5.304 1.00 0.00 C ATOM 150 O ASN A 12 23.027 -0.602 -6.311 1.00 0.00 O ATOM 151 CB ASN A 12 21.930 -0.817 -3.328 1.00 0.00 C ATOM 152 CG ASN A 12 20.947 -0.534 -2.205 1.00 0.00 C ATOM 153 OD1 ASN A 12 19.757 -0.835 -2.313 1.00 0.00 O ATOM 154 ND2 ASN A 12 21.436 0.037 -1.115 1.00 0.00 N ATOM 0 H ASN A 12 20.646 -0.320 -5.806 1.00 0.00 H new ATOM 0 HA ASN A 12 22.159 1.254 -3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.641 -1.739 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.920 -0.983 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 12 20.821 0.242 -0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.427 0.271 -1.063 1.00 0.00 H new ATOM 161 N PRO A 13 24.329 0.687 -4.995 1.00 0.00 N ATOM 162 CA PRO A 13 25.533 0.573 -5.824 1.00 0.00 C ATOM 163 C PRO A 13 25.955 -0.875 -6.026 1.00 0.00 C ATOM 164 O PRO A 13 26.311 -1.284 -7.133 1.00 0.00 O ATOM 165 CB PRO A 13 26.597 1.336 -5.028 1.00 0.00 C ATOM 166 CG PRO A 13 26.051 1.465 -3.648 1.00 0.00 C ATOM 167 CD PRO A 13 24.562 1.517 -3.803 1.00 0.00 C ATOM 0 HA PRO A 13 25.374 0.969 -6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.545 0.798 -5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.787 2.315 -5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.351 0.620 -3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.425 2.366 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.050 1.119 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.205 2.537 -3.945 1.00 0.00 H new ATOM 175 N GLY A 14 25.909 -1.645 -4.950 1.00 0.00 N ATOM 176 CA GLY A 14 26.243 -3.050 -5.028 1.00 0.00 C ATOM 177 C GLY A 14 25.238 -3.823 -5.851 1.00 0.00 C ATOM 178 O GLY A 14 25.606 -4.696 -6.632 1.00 0.00 O ATOM 0 H GLY A 14 25.645 -1.319 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.235 -3.164 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.288 -3.469 -4.023 1.00 0.00 H new ATOM 182 N LEU A 15 23.964 -3.486 -5.690 1.00 0.00 N ATOM 183 CA LEU A 15 22.895 -4.142 -6.436 1.00 0.00 C ATOM 184 C LEU A 15 23.122 -3.924 -7.926 1.00 0.00 C ATOM 185 O LEU A 15 23.250 -4.875 -8.691 1.00 0.00 O ATOM 186 CB LEU A 15 21.533 -3.567 -6.011 1.00 0.00 C ATOM 187 CG LEU A 15 20.283 -4.418 -6.308 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.109 -4.696 -7.793 1.00 0.00 C ATOM 189 CD2 LEU A 15 20.322 -5.723 -5.527 1.00 0.00 C ATOM 0 H LEU A 15 23.645 -2.761 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 15 22.899 -5.211 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.566 -3.379 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.407 -2.601 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 15 19.421 -3.835 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.214 -5.299 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.009 -3.753 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.979 -5.236 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.430 -6.308 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 15 21.209 -6.290 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.355 -5.507 -4.459 1.00 0.00 H new ATOM 201 N ALA A 16 23.182 -2.658 -8.312 1.00 0.00 N ATOM 202 CA ALA A 16 23.418 -2.266 -9.699 1.00 0.00 C ATOM 203 C ALA A 16 24.658 -2.936 -10.280 1.00 0.00 C ATOM 204 O ALA A 16 24.618 -3.476 -11.388 1.00 0.00 O ATOM 205 CB ALA A 16 23.555 -0.760 -9.793 1.00 0.00 C ATOM 0 H ALA A 16 23.069 -1.871 -7.674 1.00 0.00 H new ATOM 0 HA ALA A 16 22.560 -2.597 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.731 -0.475 -10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 16 22.639 -0.288 -9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.394 -0.432 -9.179 1.00 0.00 H new ATOM 211 N GLU A 17 25.750 -2.908 -9.523 1.00 0.00 N ATOM 212 CA GLU A 17 27.014 -3.495 -9.960 1.00 0.00 C ATOM 213 C GLU A 17 26.836 -4.978 -10.287 1.00 0.00 C ATOM 214 O GLU A 17 27.370 -5.471 -11.281 1.00 0.00 O ATOM 215 CB GLU A 17 28.077 -3.307 -8.872 1.00 0.00 C ATOM 216 CG GLU A 17 29.471 -3.771 -9.272 1.00 0.00 C ATOM 217 CD GLU A 17 30.496 -3.510 -8.188 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.606 -4.333 -7.256 1.00 0.00 O ATOM 219 OE2 GLU A 17 31.194 -2.479 -8.256 1.00 0.00 O ATOM 0 H GLU A 17 25.786 -2.482 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 17 27.343 -2.987 -10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.121 -2.252 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.767 -3.851 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.446 -4.837 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 17 29.774 -3.260 -10.186 1.00 0.00 H new ATOM 226 N ASN A 18 26.065 -5.674 -9.457 1.00 0.00 N ATOM 227 CA ASN A 18 25.788 -7.088 -9.663 1.00 0.00 C ATOM 228 C ASN A 18 24.744 -7.287 -10.759 1.00 0.00 C ATOM 229 O ASN A 18 24.744 -8.308 -11.449 1.00 0.00 O ATOM 230 CB ASN A 18 25.296 -7.724 -8.361 1.00 0.00 C ATOM 231 CG ASN A 18 26.416 -8.026 -7.381 1.00 0.00 C ATOM 232 OD1 ASN A 18 27.000 -9.106 -7.403 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.709 -7.084 -6.501 1.00 0.00 N ATOM 0 H ASN A 18 25.619 -5.276 -8.630 1.00 0.00 H new ATOM 0 HA ASN A 18 26.714 -7.571 -9.975 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.578 -7.055 -7.887 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.766 -8.648 -8.593 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.442 -7.242 -5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.202 -6.199 -6.513 1.00 0.00 H new ATOM 240 N PHE A 19 23.861 -6.306 -10.914 1.00 0.00 N ATOM 241 CA PHE A 19 22.788 -6.375 -11.902 1.00 0.00 C ATOM 242 C PHE A 19 23.353 -6.452 -13.313 1.00 0.00 C ATOM 243 O PHE A 19 23.098 -7.407 -14.039 1.00 0.00 O ATOM 244 CB PHE A 19 21.855 -5.162 -11.774 1.00 0.00 C ATOM 245 CG PHE A 19 20.750 -5.129 -12.798 1.00 0.00 C ATOM 246 CD1 PHE A 19 19.632 -5.934 -12.653 1.00 0.00 C ATOM 247 CD2 PHE A 19 20.827 -4.293 -13.904 1.00 0.00 C ATOM 248 CE1 PHE A 19 18.614 -5.907 -13.588 1.00 0.00 C ATOM 249 CE2 PHE A 19 19.810 -4.263 -14.841 1.00 0.00 C ATOM 250 CZ PHE A 19 18.703 -5.072 -14.682 1.00 0.00 C ATOM 0 H PHE A 19 23.867 -5.447 -10.364 1.00 0.00 H new ATOM 0 HA PHE A 19 22.214 -7.281 -11.709 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.413 -5.160 -10.777 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.446 -4.251 -11.863 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.555 -6.591 -11.799 1.00 0.00 H new ATOM 0 HD2 PHE A 19 21.691 -3.659 -14.034 1.00 0.00 H new ATOM 0 HE1 PHE A 19 17.748 -6.540 -13.462 1.00 0.00 H new ATOM 0 HE2 PHE A 19 19.882 -3.607 -15.696 1.00 0.00 H new ATOM 0 HZ PHE A 19 17.908 -5.051 -15.413 1.00 0.00 H new ATOM 260 N MET A 20 24.135 -5.455 -13.699 1.00 0.00 N ATOM 261 CA MET A 20 24.678 -5.428 -15.047 1.00 0.00 C ATOM 262 C MET A 20 25.787 -6.447 -15.203 1.00 0.00 C ATOM 263 O MET A 20 26.113 -6.866 -16.312 1.00 0.00 O ATOM 264 CB MET A 20 25.152 -4.034 -15.420 1.00 0.00 C ATOM 265 CG MET A 20 26.105 -3.397 -14.430 1.00 0.00 C ATOM 266 SD MET A 20 25.508 -1.785 -13.889 1.00 0.00 S ATOM 267 CE MET A 20 25.185 -0.994 -15.465 1.00 0.00 C ATOM 0 H MET A 20 24.404 -4.667 -13.109 1.00 0.00 H new ATOM 0 HA MET A 20 23.878 -5.698 -15.737 1.00 0.00 H new ATOM 0 HB2 MET A 20 25.640 -4.081 -16.393 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.281 -3.388 -15.531 1.00 0.00 H new ATOM 0 HG2 MET A 20 26.226 -4.051 -13.566 1.00 0.00 H new ATOM 0 HG3 MET A 20 27.088 -3.288 -14.887 1.00 0.00 H new ATOM 0 HE1 MET A 20 25.860 -0.147 -15.592 1.00 0.00 H new ATOM 0 HE2 MET A 20 25.345 -1.710 -16.271 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.153 -0.643 -15.491 1.00 0.00 H new ATOM 277 N ASN A 21 26.359 -6.839 -14.082 1.00 0.00 N ATOM 278 CA ASN A 21 27.327 -7.933 -14.058 1.00 0.00 C ATOM 279 C ASN A 21 26.689 -9.219 -14.571 1.00 0.00 C ATOM 280 O ASN A 21 27.145 -9.801 -15.557 1.00 0.00 O ATOM 281 CB ASN A 21 27.859 -8.164 -12.645 1.00 0.00 C ATOM 282 CG ASN A 21 29.367 -8.076 -12.581 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.072 -9.053 -12.841 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.869 -6.909 -12.214 1.00 0.00 N ATOM 0 H ASN A 21 26.174 -6.419 -13.171 1.00 0.00 H new ATOM 0 HA ASN A 21 28.158 -7.654 -14.707 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.425 -7.426 -11.970 1.00 0.00 H new ATOM 0 HB3 ASN A 21 27.539 -9.145 -12.294 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.879 -6.790 -12.136 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.246 -6.128 -12.009 1.00 0.00 H new ATOM 291 N SER A 22 25.616 -9.647 -13.910 1.00 0.00 N ATOM 292 CA SER A 22 24.904 -10.848 -14.295 1.00 0.00 C ATOM 293 C SER A 22 24.228 -10.658 -15.652 1.00 0.00 C ATOM 294 O SER A 22 24.065 -11.613 -16.416 1.00 0.00 O ATOM 295 CB SER A 22 23.881 -11.196 -13.218 1.00 0.00 C ATOM 296 OG SER A 22 23.156 -10.050 -12.809 1.00 0.00 O ATOM 0 H SER A 22 25.223 -9.170 -13.099 1.00 0.00 H new ATOM 0 HA SER A 22 25.610 -11.673 -14.390 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.191 -11.949 -13.598 1.00 0.00 H new ATOM 0 HB3 SER A 22 24.389 -11.634 -12.359 1.00 0.00 H new ATOM 0 HG SER A 22 23.708 -9.513 -12.203 1.00 0.00 H new ATOM 302 N PHE A 23 23.842 -9.417 -15.939 1.00 0.00 N ATOM 303 CA PHE A 23 23.329 -9.050 -17.253 1.00 0.00 C ATOM 304 C PHE A 23 24.322 -9.445 -18.337 1.00 0.00 C ATOM 305 O PHE A 23 23.964 -10.131 -19.281 1.00 0.00 O ATOM 306 CB PHE A 23 23.057 -7.543 -17.312 1.00 0.00 C ATOM 307 CG PHE A 23 22.753 -7.020 -18.688 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.516 -7.229 -19.272 1.00 0.00 C ATOM 309 CD2 PHE A 23 23.711 -6.308 -19.395 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.240 -6.740 -20.535 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.441 -5.819 -20.656 1.00 0.00 C ATOM 312 CZ PHE A 23 22.204 -6.033 -21.227 1.00 0.00 C ATOM 0 H PHE A 23 23.876 -8.645 -15.273 1.00 0.00 H new ATOM 0 HA PHE A 23 22.394 -9.584 -17.424 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.218 -7.312 -16.655 1.00 0.00 H new ATOM 0 HB3 PHE A 23 23.925 -7.014 -16.919 1.00 0.00 H new ATOM 0 HD1 PHE A 23 20.758 -7.780 -18.735 1.00 0.00 H new ATOM 0 HD2 PHE A 23 24.681 -6.134 -18.952 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.271 -6.911 -20.981 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.198 -5.269 -21.196 1.00 0.00 H new ATOM 0 HZ PHE A 23 21.989 -5.649 -22.213 1.00 0.00 H new ATOM 322 N MET A 24 25.573 -9.026 -18.178 1.00 0.00 N ATOM 323 CA MET A 24 26.619 -9.331 -19.152 1.00 0.00 C ATOM 324 C MET A 24 26.879 -10.831 -19.225 1.00 0.00 C ATOM 325 O MET A 24 27.108 -11.378 -20.305 1.00 0.00 O ATOM 326 CB MET A 24 27.912 -8.590 -18.799 1.00 0.00 C ATOM 327 CG MET A 24 27.847 -7.087 -19.037 1.00 0.00 C ATOM 328 SD MET A 24 28.533 -6.583 -20.630 1.00 0.00 S ATOM 329 CE MET A 24 27.455 -7.418 -21.790 1.00 0.00 C ATOM 0 H MET A 24 25.889 -8.472 -17.382 1.00 0.00 H new ATOM 0 HA MET A 24 26.274 -8.995 -20.130 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.149 -8.772 -17.751 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.730 -9.006 -19.387 1.00 0.00 H new ATOM 0 HG2 MET A 24 26.808 -6.762 -18.978 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.387 -6.577 -18.239 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.591 -6.992 -22.784 1.00 0.00 H new ATOM 0 HE2 MET A 24 27.699 -8.480 -21.814 1.00 0.00 H new ATOM 0 HE3 MET A 24 26.418 -7.291 -21.479 1.00 0.00 H new ATOM 339 N GLN A 25 26.831 -11.493 -18.076 1.00 0.00 N ATOM 340 CA GLN A 25 27.038 -12.937 -18.005 1.00 0.00 C ATOM 341 C GLN A 25 25.938 -13.685 -18.760 1.00 0.00 C ATOM 342 O GLN A 25 26.179 -14.741 -19.348 1.00 0.00 O ATOM 343 CB GLN A 25 27.082 -13.385 -16.544 1.00 0.00 C ATOM 344 CG GLN A 25 28.278 -12.826 -15.783 1.00 0.00 C ATOM 345 CD GLN A 25 28.234 -13.132 -14.298 1.00 0.00 C ATOM 346 OE1 GLN A 25 27.679 -14.146 -13.874 1.00 0.00 O ATOM 347 NE2 GLN A 25 28.826 -12.259 -13.496 1.00 0.00 N ATOM 0 H GLN A 25 26.650 -11.051 -17.175 1.00 0.00 H new ATOM 0 HA GLN A 25 27.991 -13.174 -18.478 1.00 0.00 H new ATOM 0 HB2 GLN A 25 26.164 -13.072 -16.047 1.00 0.00 H new ATOM 0 HB3 GLN A 25 27.111 -14.474 -16.505 1.00 0.00 H new ATOM 0 HG2 GLN A 25 29.195 -13.237 -16.206 1.00 0.00 H new ATOM 0 HG3 GLN A 25 28.319 -11.746 -15.924 1.00 0.00 H new ATOM 0 HE21 GLN A 25 29.275 -11.431 -13.887 1.00 0.00 H new ATOM 0 HE22 GLN A 25 28.833 -12.415 -12.488 1.00 0.00 H new ATOM 356 N GLY A 26 24.733 -13.130 -18.743 1.00 0.00 N ATOM 357 CA GLY A 26 23.641 -13.709 -19.500 1.00 0.00 C ATOM 358 C GLY A 26 23.624 -13.223 -20.936 1.00 0.00 C ATOM 359 O GLY A 26 23.292 -13.972 -21.848 1.00 0.00 O ATOM 0 H GLY A 26 24.493 -12.289 -18.218 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.727 -14.796 -19.486 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.695 -13.458 -19.021 1.00 0.00 H new ATOM 363 N LEU A 27 24.001 -11.964 -21.126 1.00 0.00 N ATOM 364 CA LEU A 27 24.027 -11.325 -22.441 1.00 0.00 C ATOM 365 C LEU A 27 25.003 -12.055 -23.363 1.00 0.00 C ATOM 366 O LEU A 27 24.742 -12.226 -24.551 1.00 0.00 O ATOM 367 CB LEU A 27 24.431 -9.846 -22.274 1.00 0.00 C ATOM 368 CG LEU A 27 23.869 -8.843 -23.297 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.520 -9.006 -24.654 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.359 -8.978 -23.418 1.00 0.00 C ATOM 0 H LEU A 27 24.300 -11.351 -20.367 1.00 0.00 H new ATOM 0 HA LEU A 27 23.037 -11.375 -22.894 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.124 -9.522 -21.280 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.519 -9.787 -22.306 1.00 0.00 H new ATOM 0 HG LEU A 27 24.102 -7.843 -22.930 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.098 -8.281 -25.350 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.594 -8.840 -24.565 1.00 0.00 H new ATOM 0 HD13 LEU A 27 24.338 -10.014 -25.026 1.00 0.00 H new ATOM 0 HD21 LEU A 27 21.987 -8.258 -24.147 1.00 0.00 H new ATOM 0 HD22 LEU A 27 22.109 -9.987 -23.744 1.00 0.00 H new ATOM 0 HD23 LEU A 27 21.898 -8.785 -22.449 1.00 0.00 H new ATOM 382 N SER A 28 26.113 -12.513 -22.795 1.00 0.00 N ATOM 383 CA SER A 28 27.117 -13.250 -23.546 1.00 0.00 C ATOM 384 C SER A 28 26.621 -14.650 -23.907 1.00 0.00 C ATOM 385 O SER A 28 27.217 -15.341 -24.731 1.00 0.00 O ATOM 386 CB SER A 28 28.402 -13.335 -22.724 1.00 0.00 C ATOM 387 OG SER A 28 28.123 -13.646 -21.370 1.00 0.00 O ATOM 0 H SER A 28 26.339 -12.384 -21.809 1.00 0.00 H new ATOM 0 HA SER A 28 27.315 -12.721 -24.478 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.058 -14.096 -23.147 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.936 -12.386 -22.780 1.00 0.00 H new ATOM 0 HG SER A 28 27.887 -12.826 -20.888 1.00 0.00 H new ATOM 393 N SER A 29 25.524 -15.055 -23.285 1.00 0.00 N ATOM 394 CA SER A 29 24.935 -16.355 -23.536 1.00 0.00 C ATOM 395 C SER A 29 23.742 -16.216 -24.481 1.00 0.00 C ATOM 396 O SER A 29 23.100 -17.202 -24.845 1.00 0.00 O ATOM 397 CB SER A 29 24.497 -16.977 -22.211 1.00 0.00 C ATOM 398 OG SER A 29 25.565 -16.976 -21.272 1.00 0.00 O ATOM 0 H SER A 29 25.022 -14.494 -22.597 1.00 0.00 H new ATOM 0 HA SER A 29 25.673 -17.004 -24.007 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.651 -16.422 -21.806 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.156 -17.999 -22.379 1.00 0.00 H new ATOM 0 HG SER A 29 25.554 -16.138 -20.765 1.00 0.00 H new ATOM 404 N MET A 30 23.466 -14.980 -24.882 1.00 0.00 N ATOM 405 CA MET A 30 22.328 -14.686 -25.738 1.00 0.00 C ATOM 406 C MET A 30 22.735 -14.696 -27.206 1.00 0.00 C ATOM 407 O MET A 30 23.757 -14.120 -27.583 1.00 0.00 O ATOM 408 CB MET A 30 21.739 -13.316 -25.393 1.00 0.00 C ATOM 409 CG MET A 30 21.221 -13.192 -23.970 1.00 0.00 C ATOM 410 SD MET A 30 19.846 -14.304 -23.614 1.00 0.00 S ATOM 411 CE MET A 30 19.432 -13.785 -21.950 1.00 0.00 C ATOM 0 H MET A 30 24.020 -14.163 -24.625 1.00 0.00 H new ATOM 0 HA MET A 30 21.579 -15.459 -25.570 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.502 -12.555 -25.556 1.00 0.00 H new ATOM 0 HB3 MET A 30 20.923 -13.101 -26.083 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.035 -13.397 -23.275 1.00 0.00 H new ATOM 0 HG3 MET A 30 20.903 -12.164 -23.794 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.551 -14.328 -21.608 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.269 -13.995 -21.284 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.223 -12.715 -21.944 1.00 0.00 H new ATOM 421 N PRO A 31 21.946 -15.369 -28.051 1.00 0.00 N ATOM 422 CA PRO A 31 22.156 -15.356 -29.496 1.00 0.00 C ATOM 423 C PRO A 31 21.819 -13.996 -30.105 1.00 0.00 C ATOM 424 O PRO A 31 20.671 -13.551 -30.055 1.00 0.00 O ATOM 425 CB PRO A 31 21.199 -16.434 -30.009 1.00 0.00 C ATOM 426 CG PRO A 31 20.138 -16.539 -28.966 1.00 0.00 C ATOM 427 CD PRO A 31 20.800 -16.210 -27.658 1.00 0.00 C ATOM 0 HA PRO A 31 23.196 -15.542 -29.765 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.776 -16.159 -30.975 1.00 0.00 H new ATOM 0 HB3 PRO A 31 21.713 -17.385 -30.146 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.320 -15.849 -29.172 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.711 -17.542 -28.945 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.123 -15.678 -26.989 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.124 -17.110 -27.135 1.00 0.00 H new ATOM 435 N GLY A 32 22.823 -13.328 -30.653 1.00 0.00 N ATOM 436 CA GLY A 32 22.588 -12.052 -31.291 1.00 0.00 C ATOM 437 C GLY A 32 23.788 -11.131 -31.231 1.00 0.00 C ATOM 438 O GLY A 32 24.247 -10.631 -32.258 1.00 0.00 O ATOM 0 H GLY A 32 23.792 -13.646 -30.667 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.316 -12.218 -32.333 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.738 -11.564 -30.813 1.00 0.00 H new ATOM 442 N PHE A 33 24.306 -10.908 -30.032 1.00 0.00 N ATOM 443 CA PHE A 33 25.403 -9.968 -29.847 1.00 0.00 C ATOM 444 C PHE A 33 26.756 -10.598 -30.128 1.00 0.00 C ATOM 445 O PHE A 33 27.069 -11.687 -29.645 1.00 0.00 O ATOM 446 CB PHE A 33 25.385 -9.383 -28.438 1.00 0.00 C ATOM 447 CG PHE A 33 24.347 -8.318 -28.250 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.613 -7.003 -28.607 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.111 -8.626 -27.712 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.662 -6.020 -28.431 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.155 -7.645 -27.534 1.00 0.00 C ATOM 452 CZ PHE A 33 22.432 -6.341 -27.893 1.00 0.00 C ATOM 0 H PHE A 33 23.987 -11.362 -29.176 1.00 0.00 H new ATOM 0 HA PHE A 33 25.254 -9.167 -30.571 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.206 -10.185 -27.722 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.367 -8.967 -28.212 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.575 -6.747 -29.027 1.00 0.00 H new ATOM 0 HD2 PHE A 33 22.891 -9.644 -27.428 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.879 -5.001 -28.714 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.192 -7.898 -27.115 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.686 -5.572 -27.753 1.00 0.00 H new ATOM 462 N THR A 34 27.550 -9.893 -30.918 1.00 0.00 N ATOM 463 CA THR A 34 28.924 -10.280 -31.175 1.00 0.00 C ATOM 464 C THR A 34 29.822 -9.749 -30.060 1.00 0.00 C ATOM 465 O THR A 34 29.455 -8.797 -29.361 1.00 0.00 O ATOM 466 CB THR A 34 29.405 -9.753 -32.550 1.00 0.00 C ATOM 467 OG1 THR A 34 30.825 -9.886 -32.679 1.00 0.00 O ATOM 468 CG2 THR A 34 29.005 -8.300 -32.755 1.00 0.00 C ATOM 0 H THR A 34 27.260 -9.040 -31.396 1.00 0.00 H new ATOM 0 HA THR A 34 28.980 -11.368 -31.198 1.00 0.00 H new ATOM 0 HB THR A 34 28.921 -10.358 -33.317 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.107 -9.549 -33.555 1.00 0.00 H new ATOM 0 HG21 THR A 34 29.357 -7.960 -33.729 1.00 0.00 H new ATOM 0 HG22 THR A 34 27.920 -8.212 -32.710 1.00 0.00 H new ATOM 0 HG23 THR A 34 29.451 -7.686 -31.973 1.00 0.00 H new ATOM 476 N ALA A 35 30.991 -10.356 -29.895 1.00 0.00 N ATOM 477 CA ALA A 35 31.910 -9.983 -28.827 1.00 0.00 C ATOM 478 C ALA A 35 32.371 -8.533 -28.965 1.00 0.00 C ATOM 479 O ALA A 35 32.643 -7.863 -27.970 1.00 0.00 O ATOM 480 CB ALA A 35 33.107 -10.921 -28.814 1.00 0.00 C ATOM 0 H ALA A 35 31.326 -11.113 -30.491 1.00 0.00 H new ATOM 0 HA ALA A 35 31.377 -10.072 -27.880 1.00 0.00 H new ATOM 0 HB1 ALA A 35 33.787 -10.633 -28.012 1.00 0.00 H new ATOM 0 HB2 ALA A 35 32.766 -11.943 -28.651 1.00 0.00 H new ATOM 0 HB3 ALA A 35 33.627 -10.860 -29.770 1.00 0.00 H new ATOM 486 N SER A 36 32.441 -8.049 -30.199 1.00 0.00 N ATOM 487 CA SER A 36 32.866 -6.679 -30.461 1.00 0.00 C ATOM 488 C SER A 36 31.851 -5.678 -29.903 1.00 0.00 C ATOM 489 O SER A 36 32.217 -4.604 -29.420 1.00 0.00 O ATOM 490 CB SER A 36 33.053 -6.477 -31.965 1.00 0.00 C ATOM 491 OG SER A 36 33.846 -7.519 -32.517 1.00 0.00 O ATOM 0 H SER A 36 32.209 -8.585 -31.035 1.00 0.00 H new ATOM 0 HA SER A 36 33.817 -6.503 -29.959 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.081 -6.453 -32.457 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.528 -5.514 -32.151 1.00 0.00 H new ATOM 0 HG SER A 36 33.953 -7.373 -33.480 1.00 0.00 H new ATOM 497 N GLN A 37 30.576 -6.047 -29.967 1.00 0.00 N ATOM 498 CA GLN A 37 29.508 -5.237 -29.392 1.00 0.00 C ATOM 499 C GLN A 37 29.499 -5.403 -27.878 1.00 0.00 C ATOM 500 O GLN A 37 29.351 -4.437 -27.128 1.00 0.00 O ATOM 501 CB GLN A 37 28.146 -5.658 -29.962 1.00 0.00 C ATOM 502 CG GLN A 37 27.608 -4.773 -31.084 1.00 0.00 C ATOM 503 CD GLN A 37 28.435 -4.808 -32.359 1.00 0.00 C ATOM 504 OE1 GLN A 37 29.652 -4.948 -32.334 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.767 -4.688 -33.491 1.00 0.00 N ATOM 0 H GLN A 37 30.256 -6.906 -30.414 1.00 0.00 H new ATOM 0 HA GLN A 37 29.687 -4.192 -29.646 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.226 -6.680 -30.334 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.419 -5.670 -29.150 1.00 0.00 H new ATOM 0 HG2 GLN A 37 26.589 -5.081 -31.317 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.556 -3.745 -30.727 1.00 0.00 H new ATOM 0 HE21 GLN A 37 26.754 -4.573 -33.475 1.00 0.00 H new ATOM 0 HE22 GLN A 37 28.264 -4.710 -34.381 1.00 0.00 H new ATOM 514 N LEU A 38 29.671 -6.647 -27.452 1.00 0.00 N ATOM 515 CA LEU A 38 29.685 -7.006 -26.045 1.00 0.00 C ATOM 516 C LEU A 38 30.759 -6.230 -25.291 1.00 0.00 C ATOM 517 O LEU A 38 30.530 -5.743 -24.185 1.00 0.00 O ATOM 518 CB LEU A 38 29.961 -8.500 -25.922 1.00 0.00 C ATOM 519 CG LEU A 38 29.426 -9.169 -24.670 1.00 0.00 C ATOM 520 CD1 LEU A 38 27.918 -9.296 -24.767 1.00 0.00 C ATOM 521 CD2 LEU A 38 30.077 -10.528 -24.485 1.00 0.00 C ATOM 0 H LEU A 38 29.806 -7.440 -28.080 1.00 0.00 H new ATOM 0 HA LEU A 38 28.717 -6.758 -25.610 1.00 0.00 H new ATOM 0 HB2 LEU A 38 29.534 -9.002 -26.790 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.039 -8.656 -25.962 1.00 0.00 H new ATOM 0 HG LEU A 38 29.668 -8.559 -23.800 1.00 0.00 H new ATOM 0 HD11 LEU A 38 27.535 -9.777 -23.867 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.475 -8.305 -24.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 27.659 -9.898 -25.638 1.00 0.00 H new ATOM 0 HD21 LEU A 38 29.686 -10.999 -23.583 1.00 0.00 H new ATOM 0 HD22 LEU A 38 29.858 -11.157 -25.348 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.156 -10.405 -24.391 1.00 0.00 H new ATOM 533 N ASP A 39 31.930 -6.125 -25.907 1.00 0.00 N ATOM 534 CA ASP A 39 33.080 -5.468 -25.292 1.00 0.00 C ATOM 535 C ASP A 39 32.775 -4.011 -24.961 1.00 0.00 C ATOM 536 O ASP A 39 33.096 -3.526 -23.872 1.00 0.00 O ATOM 537 CB ASP A 39 34.282 -5.552 -26.227 1.00 0.00 C ATOM 538 CG ASP A 39 35.550 -5.011 -25.603 1.00 0.00 C ATOM 539 OD1 ASP A 39 36.122 -5.696 -24.725 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.994 -3.918 -26.012 1.00 0.00 O ATOM 0 H ASP A 39 32.110 -6.490 -26.842 1.00 0.00 H new ATOM 0 HA ASP A 39 33.308 -5.983 -24.359 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.440 -6.591 -26.516 1.00 0.00 H new ATOM 0 HB3 ASP A 39 34.066 -4.996 -27.140 1.00 0.00 H new ATOM 545 N ASP A 40 32.134 -3.322 -25.897 1.00 0.00 N ATOM 546 CA ASP A 40 31.783 -1.920 -25.702 1.00 0.00 C ATOM 547 C ASP A 40 30.709 -1.803 -24.632 1.00 0.00 C ATOM 548 O ASP A 40 30.797 -0.970 -23.731 1.00 0.00 O ATOM 549 CB ASP A 40 31.278 -1.302 -27.007 1.00 0.00 C ATOM 550 CG ASP A 40 31.399 0.210 -27.011 1.00 0.00 C ATOM 551 OD1 ASP A 40 32.524 0.718 -27.228 1.00 0.00 O ATOM 552 OD2 ASP A 40 30.378 0.897 -26.817 1.00 0.00 O ATOM 0 H ASP A 40 31.847 -3.709 -26.796 1.00 0.00 H new ATOM 0 HA ASP A 40 32.676 -1.381 -25.384 1.00 0.00 H new ATOM 0 HB2 ASP A 40 31.844 -1.712 -27.844 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.236 -1.582 -27.160 1.00 0.00 H new ATOM 557 N MET A 41 29.711 -2.677 -24.728 1.00 0.00 N ATOM 558 CA MET A 41 28.596 -2.701 -23.794 1.00 0.00 C ATOM 559 C MET A 41 29.085 -2.918 -22.365 1.00 0.00 C ATOM 560 O MET A 41 28.598 -2.284 -21.427 1.00 0.00 O ATOM 561 CB MET A 41 27.627 -3.809 -24.202 1.00 0.00 C ATOM 562 CG MET A 41 26.349 -3.840 -23.391 1.00 0.00 C ATOM 563 SD MET A 41 25.151 -5.021 -24.037 1.00 0.00 S ATOM 564 CE MET A 41 24.830 -4.337 -25.661 1.00 0.00 C ATOM 0 H MET A 41 29.655 -3.388 -25.457 1.00 0.00 H new ATOM 0 HA MET A 41 28.084 -1.739 -23.825 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.374 -3.686 -25.255 1.00 0.00 H new ATOM 0 HB3 MET A 41 28.130 -4.771 -24.105 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.584 -4.094 -22.358 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.904 -2.845 -23.381 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.789 -4.516 -25.932 1.00 0.00 H new ATOM 0 HE2 MET A 41 25.022 -3.264 -25.648 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.483 -4.814 -26.392 1.00 0.00 H new ATOM 574 N SER A 42 30.064 -3.802 -22.211 1.00 0.00 N ATOM 575 CA SER A 42 30.645 -4.097 -20.909 1.00 0.00 C ATOM 576 C SER A 42 31.308 -2.851 -20.327 1.00 0.00 C ATOM 577 O SER A 42 31.246 -2.602 -19.124 1.00 0.00 O ATOM 578 CB SER A 42 31.669 -5.233 -21.043 1.00 0.00 C ATOM 579 OG SER A 42 32.132 -5.670 -19.776 1.00 0.00 O ATOM 0 H SER A 42 30.474 -4.331 -22.981 1.00 0.00 H new ATOM 0 HA SER A 42 29.852 -4.412 -20.231 1.00 0.00 H new ATOM 0 HB2 SER A 42 31.217 -6.070 -21.575 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.514 -4.894 -21.643 1.00 0.00 H new ATOM 0 HG SER A 42 32.781 -6.394 -19.897 1.00 0.00 H new ATOM 585 N THR A 43 31.917 -2.063 -21.200 1.00 0.00 N ATOM 586 CA THR A 43 32.623 -0.865 -20.787 1.00 0.00 C ATOM 587 C THR A 43 31.644 0.267 -20.462 1.00 0.00 C ATOM 588 O THR A 43 31.837 1.014 -19.501 1.00 0.00 O ATOM 589 CB THR A 43 33.607 -0.418 -21.886 1.00 0.00 C ATOM 590 OG1 THR A 43 34.459 -1.521 -22.243 1.00 0.00 O ATOM 591 CG2 THR A 43 34.459 0.750 -21.416 1.00 0.00 C ATOM 0 H THR A 43 31.935 -2.236 -22.205 1.00 0.00 H new ATOM 0 HA THR A 43 33.184 -1.099 -19.882 1.00 0.00 H new ATOM 0 HB THR A 43 33.031 -0.095 -22.753 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.954 -2.162 -22.785 1.00 0.00 H new ATOM 0 HG21 THR A 43 35.144 1.044 -22.211 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.814 1.592 -21.162 1.00 0.00 H new ATOM 0 HG23 THR A 43 35.031 0.453 -20.537 1.00 0.00 H new ATOM 599 N ILE A 44 30.581 0.379 -21.250 1.00 0.00 N ATOM 600 CA ILE A 44 29.559 1.393 -21.013 1.00 0.00 C ATOM 601 C ILE A 44 28.858 1.134 -19.686 1.00 0.00 C ATOM 602 O ILE A 44 28.544 2.064 -18.941 1.00 0.00 O ATOM 603 CB ILE A 44 28.504 1.422 -22.142 1.00 0.00 C ATOM 604 CG1 ILE A 44 29.168 1.710 -23.489 1.00 0.00 C ATOM 605 CG2 ILE A 44 27.428 2.461 -21.846 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.950 3.006 -23.517 1.00 0.00 C ATOM 0 H ILE A 44 30.404 -0.219 -22.057 1.00 0.00 H new ATOM 0 HA ILE A 44 30.064 2.359 -20.988 1.00 0.00 H new ATOM 0 HB ILE A 44 28.030 0.442 -22.192 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.837 0.887 -23.738 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.401 1.742 -24.263 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.695 2.466 -22.653 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.933 2.214 -20.907 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.886 3.447 -21.766 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.392 3.143 -24.504 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.281 3.839 -23.300 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.740 2.970 -22.767 1.00 0.00 H new ATOM 618 N ALA A 45 28.638 -0.140 -19.398 1.00 0.00 N ATOM 619 CA ALA A 45 28.011 -0.555 -18.150 1.00 0.00 C ATOM 620 C ALA A 45 28.784 -0.028 -16.942 1.00 0.00 C ATOM 621 O ALA A 45 28.196 0.289 -15.908 1.00 0.00 O ATOM 622 CB ALA A 45 27.909 -2.073 -18.098 1.00 0.00 C ATOM 0 H ALA A 45 28.887 -0.911 -20.017 1.00 0.00 H new ATOM 0 HA ALA A 45 27.008 -0.131 -18.113 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.439 -2.374 -17.162 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.308 -2.426 -18.936 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.907 -2.507 -18.159 1.00 0.00 H new ATOM 628 N GLN A 46 30.100 0.093 -17.094 1.00 0.00 N ATOM 629 CA GLN A 46 30.960 0.573 -16.017 1.00 0.00 C ATOM 630 C GLN A 46 30.634 2.024 -15.668 1.00 0.00 C ATOM 631 O GLN A 46 30.733 2.431 -14.509 1.00 0.00 O ATOM 632 CB GLN A 46 32.438 0.452 -16.406 1.00 0.00 C ATOM 633 CG GLN A 46 32.877 -0.965 -16.757 1.00 0.00 C ATOM 634 CD GLN A 46 32.602 -1.959 -15.647 1.00 0.00 C ATOM 635 OE1 GLN A 46 33.421 -2.151 -14.752 1.00 0.00 O ATOM 636 NE2 GLN A 46 31.456 -2.615 -15.715 1.00 0.00 N ATOM 0 H GLN A 46 30.595 -0.136 -17.956 1.00 0.00 H new ATOM 0 HA GLN A 46 30.775 -0.049 -15.141 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.632 1.102 -17.259 1.00 0.00 H new ATOM 0 HB3 GLN A 46 33.050 0.816 -15.581 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.361 -1.286 -17.662 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.944 -0.964 -16.982 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.804 -2.425 -16.476 1.00 0.00 H new ATOM 0 HE22 GLN A 46 31.224 -3.311 -15.007 1.00 0.00 H new ATOM 645 N SER A 47 30.224 2.793 -16.673 1.00 0.00 N ATOM 646 CA SER A 47 29.902 4.200 -16.482 1.00 0.00 C ATOM 647 C SER A 47 28.693 4.355 -15.563 1.00 0.00 C ATOM 648 O SER A 47 28.673 5.219 -14.685 1.00 0.00 O ATOM 649 CB SER A 47 29.630 4.862 -17.837 1.00 0.00 C ATOM 650 OG SER A 47 30.701 4.628 -18.739 1.00 0.00 O ATOM 0 H SER A 47 30.107 2.462 -17.631 1.00 0.00 H new ATOM 0 HA SER A 47 30.753 4.692 -16.012 1.00 0.00 H new ATOM 0 HB2 SER A 47 28.703 4.472 -18.257 1.00 0.00 H new ATOM 0 HB3 SER A 47 29.491 5.935 -17.701 1.00 0.00 H new ATOM 0 HG SER A 47 30.505 5.058 -19.598 1.00 0.00 H new ATOM 656 N MET A 48 27.697 3.494 -15.753 1.00 0.00 N ATOM 657 CA MET A 48 26.502 3.520 -14.933 1.00 0.00 C ATOM 658 C MET A 48 26.843 3.156 -13.491 1.00 0.00 C ATOM 659 O MET A 48 26.408 3.825 -12.553 1.00 0.00 O ATOM 660 CB MET A 48 25.460 2.549 -15.486 1.00 0.00 C ATOM 661 CG MET A 48 24.238 2.410 -14.599 1.00 0.00 C ATOM 662 SD MET A 48 23.149 3.843 -14.659 1.00 0.00 S ATOM 663 CE MET A 48 22.334 3.580 -16.231 1.00 0.00 C ATOM 0 H MET A 48 27.699 2.770 -16.471 1.00 0.00 H new ATOM 0 HA MET A 48 26.088 4.528 -14.953 1.00 0.00 H new ATOM 0 HB2 MET A 48 25.147 2.887 -16.474 1.00 0.00 H new ATOM 0 HB3 MET A 48 25.919 1.569 -15.616 1.00 0.00 H new ATOM 0 HG2 MET A 48 23.678 1.524 -14.899 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.560 2.250 -13.570 1.00 0.00 H new ATOM 0 HE1 MET A 48 22.475 4.455 -16.865 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.761 2.705 -16.721 1.00 0.00 H new ATOM 0 HE3 MET A 48 21.269 3.419 -16.066 1.00 0.00 H new ATOM 673 N VAL A 49 27.645 2.104 -13.325 1.00 0.00 N ATOM 674 CA VAL A 49 28.053 1.651 -12.001 1.00 0.00 C ATOM 675 C VAL A 49 28.711 2.786 -11.224 1.00 0.00 C ATOM 676 O VAL A 49 28.329 3.077 -10.091 1.00 0.00 O ATOM 677 CB VAL A 49 29.037 0.458 -12.074 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.427 -0.002 -10.677 1.00 0.00 C ATOM 679 CG2 VAL A 49 28.434 -0.693 -12.862 1.00 0.00 C ATOM 0 H VAL A 49 28.024 1.551 -14.094 1.00 0.00 H new ATOM 0 HA VAL A 49 27.148 1.324 -11.489 1.00 0.00 H new ATOM 0 HB VAL A 49 29.936 0.793 -12.591 1.00 0.00 H new ATOM 0 HG11 VAL A 49 30.119 -0.841 -10.750 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.907 0.819 -10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.535 -0.314 -10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 49 29.144 -1.519 -12.900 1.00 0.00 H new ATOM 0 HG22 VAL A 49 27.516 -1.025 -12.377 1.00 0.00 H new ATOM 0 HG23 VAL A 49 28.209 -0.362 -13.876 1.00 0.00 H new ATOM 689 N GLN A 50 29.683 3.441 -11.855 1.00 0.00 N ATOM 690 CA GLN A 50 30.412 4.535 -11.221 1.00 0.00 C ATOM 691 C GLN A 50 29.480 5.678 -10.833 1.00 0.00 C ATOM 692 O GLN A 50 29.651 6.293 -9.782 1.00 0.00 O ATOM 693 CB GLN A 50 31.521 5.044 -12.145 1.00 0.00 C ATOM 694 CG GLN A 50 32.667 4.060 -12.315 1.00 0.00 C ATOM 695 CD GLN A 50 33.413 3.802 -11.019 1.00 0.00 C ATOM 696 OE1 GLN A 50 34.372 4.501 -10.691 1.00 0.00 O ATOM 697 NE2 GLN A 50 32.984 2.796 -10.271 1.00 0.00 N ATOM 0 H GLN A 50 29.984 3.232 -12.807 1.00 0.00 H new ATOM 0 HA GLN A 50 30.862 4.147 -10.307 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.095 5.266 -13.123 1.00 0.00 H new ATOM 0 HB3 GLN A 50 31.913 5.981 -11.748 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.277 3.117 -12.699 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.363 4.444 -13.060 1.00 0.00 H new ATOM 0 HE21 GLN A 50 32.186 2.238 -10.575 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.452 2.579 -9.391 1.00 0.00 H new ATOM 706 N SER A 51 28.483 5.940 -11.667 1.00 0.00 N ATOM 707 CA SER A 51 27.531 7.010 -11.399 1.00 0.00 C ATOM 708 C SER A 51 26.721 6.698 -10.145 1.00 0.00 C ATOM 709 O SER A 51 26.536 7.552 -9.276 1.00 0.00 O ATOM 710 CB SER A 51 26.601 7.200 -12.599 1.00 0.00 C ATOM 711 OG SER A 51 27.343 7.466 -13.781 1.00 0.00 O ATOM 0 H SER A 51 28.312 5.428 -12.533 1.00 0.00 H new ATOM 0 HA SER A 51 28.083 7.935 -11.233 1.00 0.00 H new ATOM 0 HB2 SER A 51 25.995 6.305 -12.739 1.00 0.00 H new ATOM 0 HB3 SER A 51 25.913 8.023 -12.404 1.00 0.00 H new ATOM 0 HG SER A 51 27.876 6.678 -14.017 1.00 0.00 H new ATOM 717 N ILE A 52 26.266 5.456 -10.047 1.00 0.00 N ATOM 718 CA ILE A 52 25.463 5.013 -8.919 1.00 0.00 C ATOM 719 C ILE A 52 26.297 4.949 -7.639 1.00 0.00 C ATOM 720 O ILE A 52 25.801 5.240 -6.546 1.00 0.00 O ATOM 721 CB ILE A 52 24.831 3.645 -9.211 1.00 0.00 C ATOM 722 CG1 ILE A 52 23.960 3.750 -10.463 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.005 3.176 -8.023 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.552 2.417 -11.030 1.00 0.00 C ATOM 0 H ILE A 52 26.443 4.732 -10.744 1.00 0.00 H new ATOM 0 HA ILE A 52 24.667 5.742 -8.769 1.00 0.00 H new ATOM 0 HB ILE A 52 25.619 2.912 -9.382 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.064 4.323 -10.224 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.502 4.309 -11.226 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.564 2.205 -8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.646 3.090 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.212 3.897 -7.824 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.936 2.572 -11.916 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.442 1.849 -11.301 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.982 1.863 -10.284 1.00 0.00 H new ATOM 736 N GLN A 53 27.570 4.584 -7.783 1.00 0.00 N ATOM 737 CA GLN A 53 28.502 4.606 -6.659 1.00 0.00 C ATOM 738 C GLN A 53 28.556 6.009 -6.069 1.00 0.00 C ATOM 739 O GLN A 53 28.463 6.193 -4.855 1.00 0.00 O ATOM 740 CB GLN A 53 29.905 4.179 -7.104 1.00 0.00 C ATOM 741 CG GLN A 53 29.999 2.743 -7.596 1.00 0.00 C ATOM 742 CD GLN A 53 29.754 1.718 -6.503 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.043 1.958 -5.331 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.234 0.559 -6.878 1.00 0.00 N ATOM 0 H GLN A 53 27.978 4.271 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 53 28.151 3.902 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.239 4.845 -7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.593 4.310 -6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.274 2.592 -8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 53 30.987 2.577 -8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.007 0.395 -7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.061 -0.170 -6.186 1.00 0.00 H new ATOM 753 N SER A 54 28.664 6.998 -6.948 1.00 0.00 N ATOM 754 CA SER A 54 28.713 8.392 -6.537 1.00 0.00 C ATOM 755 C SER A 54 27.378 8.834 -5.945 1.00 0.00 C ATOM 756 O SER A 54 27.343 9.590 -4.977 1.00 0.00 O ATOM 757 CB SER A 54 29.081 9.279 -7.726 1.00 0.00 C ATOM 758 OG SER A 54 30.302 8.864 -8.310 1.00 0.00 O ATOM 0 H SER A 54 28.720 6.857 -7.957 1.00 0.00 H new ATOM 0 HA SER A 54 29.478 8.493 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.286 9.242 -8.471 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.164 10.316 -7.399 1.00 0.00 H new ATOM 0 HG SER A 54 30.161 8.029 -8.804 1.00 0.00 H new ATOM 764 N LEU A 55 26.279 8.354 -6.517 1.00 0.00 N ATOM 765 CA LEU A 55 24.954 8.699 -6.033 1.00 0.00 C ATOM 766 C LEU A 55 24.768 8.292 -4.574 1.00 0.00 C ATOM 767 O LEU A 55 24.270 9.071 -3.762 1.00 0.00 O ATOM 768 CB LEU A 55 23.887 8.028 -6.897 1.00 0.00 C ATOM 769 CG LEU A 55 23.725 8.592 -8.311 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.652 7.827 -9.074 1.00 0.00 C ATOM 771 CD2 LEU A 55 23.386 10.075 -8.258 1.00 0.00 C ATOM 0 H LEU A 55 26.284 7.723 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 55 24.848 9.782 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.123 6.967 -6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.929 8.105 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 55 24.672 8.473 -8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.552 8.243 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 55 22.934 6.776 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.701 7.913 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 55 23.275 10.459 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.453 10.216 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 55 24.187 10.614 -7.752 1.00 0.00 H new ATOM 783 N ALA A 56 25.190 7.080 -4.245 1.00 0.00 N ATOM 784 CA ALA A 56 24.986 6.535 -2.910 1.00 0.00 C ATOM 785 C ALA A 56 26.005 7.078 -1.911 1.00 0.00 C ATOM 786 O ALA A 56 25.747 7.111 -0.707 1.00 0.00 O ATOM 787 CB ALA A 56 25.047 5.020 -2.954 1.00 0.00 C ATOM 0 H ALA A 56 25.677 6.453 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 56 23.999 6.848 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.894 4.620 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 56 24.269 4.644 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.023 4.706 -3.324 1.00 0.00 H new ATOM 793 N ALA A 57 27.153 7.523 -2.406 1.00 0.00 N ATOM 794 CA ALA A 57 28.215 7.993 -1.535 1.00 0.00 C ATOM 795 C ALA A 57 28.033 9.468 -1.270 1.00 0.00 C ATOM 796 O ALA A 57 28.384 9.977 -0.205 1.00 0.00 O ATOM 797 CB ALA A 57 29.582 7.725 -2.151 1.00 0.00 C ATOM 0 H ALA A 57 27.369 7.567 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 57 28.163 7.450 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.361 8.086 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.707 6.654 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.658 8.243 -3.107 1.00 0.00 H new ATOM 803 N GLN A 58 27.459 10.153 -2.245 1.00 0.00 N ATOM 804 CA GLN A 58 27.230 11.572 -2.128 1.00 0.00 C ATOM 805 C GLN A 58 25.819 11.865 -1.623 1.00 0.00 C ATOM 806 O GLN A 58 25.480 13.016 -1.354 1.00 0.00 O ATOM 807 CB GLN A 58 27.463 12.266 -3.469 1.00 0.00 C ATOM 808 CG GLN A 58 28.906 12.225 -3.941 1.00 0.00 C ATOM 809 CD GLN A 58 29.101 12.912 -5.280 1.00 0.00 C ATOM 810 OE1 GLN A 58 28.095 12.840 -6.141 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 30.154 13.491 -5.547 1.00 0.00 N flip ATOM 0 H GLN A 58 27.145 9.743 -3.125 1.00 0.00 H new ATOM 0 HA GLN A 58 27.940 11.964 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.831 11.798 -4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 58 27.147 13.306 -3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.542 12.702 -3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 58 29.230 11.187 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 58 30.906 13.525 -4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 58 30.275 13.936 -6.457 1.00 0.00 H new ATOM 820 N GLY A 59 25.002 10.823 -1.506 1.00 0.00 N ATOM 821 CA GLY A 59 23.628 11.000 -1.061 1.00 0.00 C ATOM 822 C GLY A 59 22.828 11.854 -2.021 1.00 0.00 C ATOM 823 O GLY A 59 22.176 12.818 -1.622 1.00 0.00 O ATOM 0 H GLY A 59 25.265 9.859 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.151 10.025 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.623 11.462 -0.074 1.00 0.00 H new ATOM 827 N ARG A 60 22.889 11.510 -3.296 1.00 0.00 N ATOM 828 CA ARG A 60 22.236 12.301 -4.325 1.00 0.00 C ATOM 829 C ARG A 60 21.346 11.441 -5.211 1.00 0.00 C ATOM 830 O ARG A 60 20.938 11.859 -6.293 1.00 0.00 O ATOM 831 CB ARG A 60 23.275 13.043 -5.156 1.00 0.00 C ATOM 832 CG ARG A 60 23.798 14.288 -4.460 1.00 0.00 C ATOM 833 CD ARG A 60 24.925 14.914 -5.246 1.00 0.00 C ATOM 834 NE ARG A 60 25.350 16.211 -4.709 1.00 0.00 N ATOM 835 CZ ARG A 60 26.131 16.369 -3.634 1.00 0.00 C ATOM 836 NH1 ARG A 60 26.410 15.340 -2.844 1.00 0.00 N ATOM 837 NH2 ARG A 60 26.589 17.573 -3.316 1.00 0.00 N ATOM 0 H ARG A 60 23.384 10.689 -3.643 1.00 0.00 H new ATOM 0 HA ARG A 60 21.594 13.032 -3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 60 24.108 12.374 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.836 13.324 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.989 15.009 -4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.146 14.031 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 60 25.777 14.234 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 60 24.610 15.042 -6.282 1.00 0.00 H new ATOM 0 HE ARG A 60 25.028 17.051 -5.189 1.00 0.00 H new ATOM 0 HH11 ARG A 60 26.028 14.418 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 60 27.006 15.471 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 60 26.346 18.379 -3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 60 27.184 17.692 -2.496 1.00 0.00 H new ATOM 851 N THR A 61 21.034 10.244 -4.739 1.00 0.00 N ATOM 852 CA THR A 61 20.139 9.352 -5.458 1.00 0.00 C ATOM 853 C THR A 61 18.702 9.857 -5.359 1.00 0.00 C ATOM 854 O THR A 61 18.106 9.859 -4.279 1.00 0.00 O ATOM 855 CB THR A 61 20.223 7.922 -4.892 1.00 0.00 C ATOM 856 OG1 THR A 61 21.564 7.649 -4.465 1.00 0.00 O ATOM 857 CG2 THR A 61 19.810 6.899 -5.942 1.00 0.00 C ATOM 0 H THR A 61 21.388 9.868 -3.860 1.00 0.00 H new ATOM 0 HA THR A 61 20.445 9.334 -6.504 1.00 0.00 H new ATOM 0 HB THR A 61 19.542 7.848 -4.044 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.614 6.739 -4.104 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.877 5.896 -5.519 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.784 7.093 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 61 20.473 6.975 -6.804 1.00 0.00 H new ATOM 865 N SER A 62 18.163 10.312 -6.480 1.00 0.00 N ATOM 866 CA SER A 62 16.810 10.845 -6.519 1.00 0.00 C ATOM 867 C SER A 62 16.018 10.168 -7.638 1.00 0.00 C ATOM 868 O SER A 62 16.607 9.704 -8.617 1.00 0.00 O ATOM 869 CB SER A 62 16.858 12.362 -6.737 1.00 0.00 C ATOM 870 OG SER A 62 17.792 12.972 -5.861 1.00 0.00 O ATOM 0 H SER A 62 18.645 10.323 -7.379 1.00 0.00 H new ATOM 0 HA SER A 62 16.313 10.643 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.130 12.576 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.868 12.788 -6.573 1.00 0.00 H new ATOM 0 HG SER A 62 17.806 13.939 -6.020 1.00 0.00 H new ATOM 876 N PRO A 63 14.680 10.094 -7.504 1.00 0.00 N ATOM 877 CA PRO A 63 13.809 9.435 -8.488 1.00 0.00 C ATOM 878 C PRO A 63 14.012 9.957 -9.910 1.00 0.00 C ATOM 879 O PRO A 63 14.051 9.179 -10.862 1.00 0.00 O ATOM 880 CB PRO A 63 12.386 9.752 -8.000 1.00 0.00 C ATOM 881 CG PRO A 63 12.543 10.829 -6.979 1.00 0.00 C ATOM 882 CD PRO A 63 13.904 10.637 -6.380 1.00 0.00 C ATOM 0 HA PRO A 63 14.024 8.368 -8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.753 10.082 -8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.913 8.869 -7.569 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.453 11.815 -7.435 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.768 10.759 -6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.322 11.576 -6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.881 9.949 -5.535 1.00 0.00 H new ATOM 890 N ASN A 64 14.164 11.269 -10.046 1.00 0.00 N ATOM 891 CA ASN A 64 14.330 11.888 -11.360 1.00 0.00 C ATOM 892 C ASN A 64 15.640 11.449 -12.013 1.00 0.00 C ATOM 893 O ASN A 64 15.701 11.256 -13.228 1.00 0.00 O ATOM 894 CB ASN A 64 14.274 13.422 -11.260 1.00 0.00 C ATOM 895 CG ASN A 64 15.376 14.015 -10.396 1.00 0.00 C ATOM 896 OD1 ASN A 64 15.831 13.398 -9.434 1.00 0.00 O ATOM 897 ND2 ASN A 64 15.813 15.216 -10.736 1.00 0.00 N ATOM 0 H ASN A 64 14.176 11.926 -9.266 1.00 0.00 H new ATOM 0 HA ASN A 64 13.504 11.553 -11.987 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.341 13.846 -12.262 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.306 13.716 -10.853 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.553 15.662 -10.193 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.410 15.696 -11.541 1.00 0.00 H new ATOM 904 N LYS A 65 16.679 11.276 -11.201 1.00 0.00 N ATOM 905 CA LYS A 65 17.969 10.818 -11.701 1.00 0.00 C ATOM 906 C LYS A 65 17.845 9.408 -12.261 1.00 0.00 C ATOM 907 O LYS A 65 18.310 9.119 -13.362 1.00 0.00 O ATOM 908 CB LYS A 65 19.025 10.838 -10.592 1.00 0.00 C ATOM 909 CG LYS A 65 19.149 12.177 -9.889 1.00 0.00 C ATOM 910 CD LYS A 65 20.586 12.474 -9.505 1.00 0.00 C ATOM 911 CE LYS A 65 20.729 13.866 -8.904 1.00 0.00 C ATOM 912 NZ LYS A 65 19.958 14.020 -7.641 1.00 0.00 N ATOM 0 H LYS A 65 16.652 11.446 -10.196 1.00 0.00 H new ATOM 0 HA LYS A 65 18.283 11.497 -12.494 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.780 10.073 -9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.992 10.571 -11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.775 12.967 -10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.525 12.179 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.933 11.730 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 65 21.223 12.390 -10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 65 21.782 14.069 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.389 14.608 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 20.335 14.824 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.957 14.192 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 20.043 13.152 -7.075 1.00 0.00 H new ATOM 926 N LEU A 66 17.183 8.547 -11.500 1.00 0.00 N ATOM 927 CA LEU A 66 17.026 7.146 -11.870 1.00 0.00 C ATOM 928 C LEU A 66 16.108 7.002 -13.080 1.00 0.00 C ATOM 929 O LEU A 66 16.307 6.128 -13.924 1.00 0.00 O ATOM 930 CB LEU A 66 16.474 6.356 -10.682 1.00 0.00 C ATOM 931 CG LEU A 66 17.293 6.476 -9.393 1.00 0.00 C ATOM 932 CD1 LEU A 66 16.659 5.672 -8.271 1.00 0.00 C ATOM 933 CD2 LEU A 66 18.728 6.029 -9.621 1.00 0.00 C ATOM 0 H LEU A 66 16.742 8.797 -10.615 1.00 0.00 H new ATOM 0 HA LEU A 66 18.003 6.746 -12.141 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.457 6.692 -10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.413 5.304 -10.960 1.00 0.00 H new ATOM 0 HG LEU A 66 17.302 7.526 -9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.259 5.773 -7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 66 15.652 6.043 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.611 4.622 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.290 6.123 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 66 18.738 4.989 -9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 66 19.186 6.654 -10.387 1.00 0.00 H new ATOM 945 N GLN A 67 15.110 7.873 -13.161 1.00 0.00 N ATOM 946 CA GLN A 67 14.190 7.891 -14.292 1.00 0.00 C ATOM 947 C GLN A 67 14.944 8.216 -15.581 1.00 0.00 C ATOM 948 O GLN A 67 14.710 7.603 -16.625 1.00 0.00 O ATOM 949 CB GLN A 67 13.072 8.915 -14.036 1.00 0.00 C ATOM 950 CG GLN A 67 12.002 8.980 -15.121 1.00 0.00 C ATOM 951 CD GLN A 67 12.380 9.877 -16.287 1.00 0.00 C ATOM 952 OE1 GLN A 67 13.102 10.859 -16.124 1.00 0.00 O ATOM 953 NE2 GLN A 67 11.897 9.543 -17.472 1.00 0.00 N ATOM 0 H GLN A 67 14.916 8.580 -12.452 1.00 0.00 H new ATOM 0 HA GLN A 67 13.738 6.905 -14.404 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.592 8.678 -13.086 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.521 9.902 -13.929 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.811 7.974 -15.493 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.071 9.340 -14.682 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.301 8.721 -17.567 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.120 10.108 -18.291 1.00 0.00 H new ATOM 962 N ALA A 68 15.857 9.174 -15.498 1.00 0.00 N ATOM 963 CA ALA A 68 16.658 9.565 -16.649 1.00 0.00 C ATOM 964 C ALA A 68 17.671 8.480 -16.998 1.00 0.00 C ATOM 965 O ALA A 68 18.003 8.281 -18.168 1.00 0.00 O ATOM 966 CB ALA A 68 17.354 10.890 -16.385 1.00 0.00 C ATOM 0 H ALA A 68 16.061 9.695 -14.645 1.00 0.00 H new ATOM 0 HA ALA A 68 15.993 9.691 -17.504 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.949 11.168 -17.255 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.608 11.661 -16.194 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.005 10.792 -15.517 1.00 0.00 H new ATOM 972 N LEU A 69 18.148 7.768 -15.979 1.00 0.00 N ATOM 973 CA LEU A 69 19.089 6.671 -16.187 1.00 0.00 C ATOM 974 C LEU A 69 18.450 5.561 -17.013 1.00 0.00 C ATOM 975 O LEU A 69 19.133 4.886 -17.773 1.00 0.00 O ATOM 976 CB LEU A 69 19.583 6.105 -14.852 1.00 0.00 C ATOM 977 CG LEU A 69 20.447 7.050 -14.012 1.00 0.00 C ATOM 978 CD1 LEU A 69 20.920 6.351 -12.749 1.00 0.00 C ATOM 979 CD2 LEU A 69 21.637 7.554 -14.819 1.00 0.00 C ATOM 0 H LEU A 69 17.899 7.931 -15.003 1.00 0.00 H new ATOM 0 HA LEU A 69 19.944 7.071 -16.732 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.717 5.811 -14.260 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.155 5.199 -15.051 1.00 0.00 H new ATOM 0 HG LEU A 69 19.839 7.909 -13.728 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.533 7.035 -12.162 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.057 6.041 -12.160 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.510 5.475 -13.017 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.237 8.224 -14.203 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.247 6.708 -15.135 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.280 8.092 -15.697 1.00 0.00 H new ATOM 991 N ASN A 70 17.141 5.390 -16.859 1.00 0.00 N ATOM 992 CA ASN A 70 16.383 4.397 -17.625 1.00 0.00 C ATOM 993 C ASN A 70 16.588 4.608 -19.124 1.00 0.00 C ATOM 994 O ASN A 70 17.079 3.725 -19.829 1.00 0.00 O ATOM 995 CB ASN A 70 14.892 4.505 -17.260 1.00 0.00 C ATOM 996 CG ASN A 70 13.981 3.534 -17.999 1.00 0.00 C ATOM 997 OD1 ASN A 70 14.193 3.202 -19.163 1.00 0.00 O ATOM 998 ND2 ASN A 70 12.946 3.077 -17.314 1.00 0.00 N ATOM 0 H ASN A 70 16.575 5.930 -16.205 1.00 0.00 H new ATOM 0 HA ASN A 70 16.741 3.398 -17.375 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.782 4.340 -16.188 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.556 5.522 -17.462 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.292 2.427 -17.751 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.801 3.375 -16.349 1.00 0.00 H new ATOM 1005 N MET A 71 16.237 5.797 -19.589 1.00 0.00 N ATOM 1006 CA MET A 71 16.320 6.132 -21.006 1.00 0.00 C ATOM 1007 C MET A 71 17.761 6.080 -21.500 1.00 0.00 C ATOM 1008 O MET A 71 18.041 5.563 -22.583 1.00 0.00 O ATOM 1009 CB MET A 71 15.732 7.519 -21.239 1.00 0.00 C ATOM 1010 CG MET A 71 14.257 7.596 -20.893 1.00 0.00 C ATOM 1011 SD MET A 71 13.597 9.275 -20.969 1.00 0.00 S ATOM 1012 CE MET A 71 14.534 10.053 -19.656 1.00 0.00 C ATOM 0 H MET A 71 15.888 6.554 -19.001 1.00 0.00 H new ATOM 0 HA MET A 71 15.747 5.396 -21.570 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.280 8.247 -20.640 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.871 7.797 -22.284 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.696 6.960 -21.578 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.104 7.197 -19.890 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.080 11.011 -19.404 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.533 9.409 -18.777 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.560 10.213 -19.987 1.00 0.00 H new ATOM 1022 N ARG A 72 18.663 6.620 -20.696 1.00 0.00 N ATOM 1023 CA ARG A 72 20.092 6.597 -21.011 1.00 0.00 C ATOM 1024 C ARG A 72 20.609 5.164 -21.128 1.00 0.00 C ATOM 1025 O ARG A 72 21.336 4.831 -22.061 1.00 0.00 O ATOM 1026 CB ARG A 72 20.887 7.353 -19.944 1.00 0.00 C ATOM 1027 CG ARG A 72 20.694 8.860 -19.994 1.00 0.00 C ATOM 1028 CD ARG A 72 21.509 9.560 -18.919 1.00 0.00 C ATOM 1029 NE ARG A 72 21.529 11.011 -19.104 1.00 0.00 N ATOM 1030 CZ ARG A 72 21.847 11.887 -18.150 1.00 0.00 C ATOM 1031 NH1 ARG A 72 22.120 11.468 -16.919 1.00 0.00 N ATOM 1032 NH2 ARG A 72 21.885 13.184 -18.430 1.00 0.00 N ATOM 0 H ARG A 72 18.435 7.082 -19.816 1.00 0.00 H new ATOM 0 HA ARG A 72 20.229 7.090 -21.973 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.593 6.990 -18.959 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.946 7.127 -20.064 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.987 9.233 -20.975 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.638 9.098 -19.865 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.094 9.325 -17.939 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.530 9.179 -18.932 1.00 0.00 H new ATOM 0 HE ARG A 72 21.283 11.377 -20.024 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.087 10.472 -16.700 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.363 12.142 -16.193 1.00 0.00 H new ATOM 0 HH21 ARG A 72 21.671 13.509 -19.373 1.00 0.00 H new ATOM 0 HH22 ARG A 72 22.128 13.856 -17.702 1.00 0.00 H new ATOM 1046 N PHE A 73 20.219 4.328 -20.178 1.00 0.00 N ATOM 1047 CA PHE A 73 20.620 2.923 -20.151 1.00 0.00 C ATOM 1048 C PHE A 73 20.155 2.211 -21.418 1.00 0.00 C ATOM 1049 O PHE A 73 20.925 1.503 -22.063 1.00 0.00 O ATOM 1050 CB PHE A 73 20.031 2.256 -18.902 1.00 0.00 C ATOM 1051 CG PHE A 73 20.346 0.797 -18.741 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.656 0.361 -18.610 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.325 -0.139 -18.693 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.940 -0.980 -18.436 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.600 -1.481 -18.524 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.911 -1.903 -18.394 1.00 0.00 C ATOM 0 H PHE A 73 19.615 4.601 -19.402 1.00 0.00 H new ATOM 0 HA PHE A 73 21.707 2.855 -20.112 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.393 2.788 -18.022 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.948 2.376 -18.923 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.463 1.078 -18.644 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.300 0.186 -18.789 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.964 -1.307 -18.333 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.794 -2.199 -18.493 1.00 0.00 H new ATOM 0 HZ PHE A 73 21.131 -2.952 -18.260 1.00 0.00 H new ATOM 1066 N ALA A 74 18.898 2.426 -21.773 1.00 0.00 N ATOM 1067 CA ALA A 74 18.324 1.827 -22.967 1.00 0.00 C ATOM 1068 C ALA A 74 19.044 2.294 -24.232 1.00 0.00 C ATOM 1069 O ALA A 74 19.534 1.480 -25.016 1.00 0.00 O ATOM 1070 CB ALA A 74 16.847 2.164 -23.060 1.00 0.00 C ATOM 0 H ALA A 74 18.252 3.015 -21.247 1.00 0.00 H new ATOM 0 HA ALA A 74 18.447 0.747 -22.889 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.426 1.711 -23.958 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.330 1.778 -22.182 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.723 3.246 -23.107 1.00 0.00 H new ATOM 1076 N SER A 75 19.111 3.609 -24.415 1.00 0.00 N ATOM 1077 CA SER A 75 19.683 4.195 -25.626 1.00 0.00 C ATOM 1078 C SER A 75 21.157 3.832 -25.820 1.00 0.00 C ATOM 1079 O SER A 75 21.573 3.518 -26.936 1.00 0.00 O ATOM 1080 CB SER A 75 19.511 5.715 -25.613 1.00 0.00 C ATOM 1081 OG SER A 75 19.938 6.272 -24.381 1.00 0.00 O ATOM 0 H SER A 75 18.775 4.293 -23.737 1.00 0.00 H new ATOM 0 HA SER A 75 19.137 3.773 -26.470 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.082 6.155 -26.431 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.464 5.966 -25.785 1.00 0.00 H new ATOM 0 HG SER A 75 19.225 6.178 -23.715 1.00 0.00 H new ATOM 1087 N SER A 76 21.939 3.862 -24.745 1.00 0.00 N ATOM 1088 CA SER A 76 23.371 3.594 -24.847 1.00 0.00 C ATOM 1089 C SER A 76 23.632 2.173 -25.349 1.00 0.00 C ATOM 1090 O SER A 76 24.535 1.948 -26.161 1.00 0.00 O ATOM 1091 CB SER A 76 24.056 3.826 -23.498 1.00 0.00 C ATOM 1092 OG SER A 76 23.395 3.124 -22.460 1.00 0.00 O ATOM 0 H SER A 76 21.610 4.067 -23.801 1.00 0.00 H new ATOM 0 HA SER A 76 23.794 4.287 -25.574 1.00 0.00 H new ATOM 0 HB2 SER A 76 25.095 3.503 -23.555 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.066 4.892 -23.271 1.00 0.00 H new ATOM 0 HG SER A 76 22.684 3.685 -22.087 1.00 0.00 H new ATOM 1098 N MET A 77 22.832 1.221 -24.875 1.00 0.00 N ATOM 1099 CA MET A 77 22.927 -0.157 -25.340 1.00 0.00 C ATOM 1100 C MET A 77 22.407 -0.267 -26.767 1.00 0.00 C ATOM 1101 O MET A 77 22.952 -1.010 -27.586 1.00 0.00 O ATOM 1102 CB MET A 77 22.131 -1.097 -24.433 1.00 0.00 C ATOM 1103 CG MET A 77 22.645 -1.162 -23.007 1.00 0.00 C ATOM 1104 SD MET A 77 21.705 -2.311 -21.984 1.00 0.00 S ATOM 1105 CE MET A 77 20.047 -1.649 -22.154 1.00 0.00 C ATOM 0 H MET A 77 22.112 1.380 -24.170 1.00 0.00 H new ATOM 0 HA MET A 77 23.977 -0.450 -25.312 1.00 0.00 H new ATOM 0 HB2 MET A 77 21.090 -0.775 -24.418 1.00 0.00 H new ATOM 0 HB3 MET A 77 22.149 -2.099 -24.861 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.693 -1.462 -23.016 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.602 -0.167 -22.563 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.366 -2.201 -21.506 1.00 0.00 H new ATOM 0 HE2 MET A 77 20.045 -0.597 -21.870 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.721 -1.746 -23.190 1.00 0.00 H new ATOM 1115 N ALA A 78 21.352 0.491 -27.052 1.00 0.00 N ATOM 1116 CA ALA A 78 20.725 0.490 -28.367 1.00 0.00 C ATOM 1117 C ALA A 78 21.709 0.901 -29.455 1.00 0.00 C ATOM 1118 O ALA A 78 21.778 0.263 -30.498 1.00 0.00 O ATOM 1119 CB ALA A 78 19.515 1.410 -28.375 1.00 0.00 C ATOM 0 H ALA A 78 20.911 1.120 -26.381 1.00 0.00 H new ATOM 0 HA ALA A 78 20.399 -0.528 -28.580 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.056 1.399 -29.364 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.792 1.066 -27.636 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.828 2.425 -28.131 1.00 0.00 H new ATOM 1125 N GLU A 79 22.476 1.959 -29.196 1.00 0.00 N ATOM 1126 CA GLU A 79 23.470 2.447 -30.155 1.00 0.00 C ATOM 1127 C GLU A 79 24.447 1.343 -30.535 1.00 0.00 C ATOM 1128 O GLU A 79 24.774 1.161 -31.708 1.00 0.00 O ATOM 1129 CB GLU A 79 24.253 3.621 -29.570 1.00 0.00 C ATOM 1130 CG GLU A 79 23.394 4.805 -29.177 1.00 0.00 C ATOM 1131 CD GLU A 79 24.223 5.971 -28.684 1.00 0.00 C ATOM 1132 OE1 GLU A 79 24.883 5.833 -27.631 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.232 7.026 -29.353 1.00 0.00 O ATOM 0 H GLU A 79 22.429 2.496 -28.330 1.00 0.00 H new ATOM 0 HA GLU A 79 22.933 2.774 -31.045 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.801 3.277 -28.693 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.993 3.949 -30.300 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.799 5.121 -30.034 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.695 4.502 -28.397 1.00 0.00 H new ATOM 1140 N ILE A 80 24.910 0.618 -29.530 1.00 0.00 N ATOM 1141 CA ILE A 80 25.844 -0.483 -29.737 1.00 0.00 C ATOM 1142 C ILE A 80 25.207 -1.578 -30.582 1.00 0.00 C ATOM 1143 O ILE A 80 25.779 -2.031 -31.574 1.00 0.00 O ATOM 1144 CB ILE A 80 26.303 -1.071 -28.386 1.00 0.00 C ATOM 1145 CG1 ILE A 80 27.009 0.009 -27.567 1.00 0.00 C ATOM 1146 CG2 ILE A 80 27.212 -2.274 -28.594 1.00 0.00 C ATOM 1147 CD1 ILE A 80 27.536 -0.482 -26.241 1.00 0.00 C ATOM 0 H ILE A 80 24.654 0.772 -28.555 1.00 0.00 H new ATOM 0 HA ILE A 80 26.713 -0.089 -30.265 1.00 0.00 H new ATOM 0 HB ILE A 80 25.426 -1.414 -27.837 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.837 0.412 -28.150 1.00 0.00 H new ATOM 0 HG13 ILE A 80 26.315 0.830 -27.390 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.521 -2.669 -27.626 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.674 -3.045 -29.145 1.00 0.00 H new ATOM 0 HG23 ILE A 80 28.093 -1.971 -29.160 1.00 0.00 H new ATOM 0 HD11 ILE A 80 28.024 0.340 -25.717 1.00 0.00 H new ATOM 0 HD12 ILE A 80 26.710 -0.858 -25.638 1.00 0.00 H new ATOM 0 HD13 ILE A 80 28.256 -1.283 -26.410 1.00 0.00 H new ATOM 1159 N ALA A 81 24.012 -1.981 -30.187 1.00 0.00 N ATOM 1160 CA ALA A 81 23.280 -3.031 -30.880 1.00 0.00 C ATOM 1161 C ALA A 81 22.904 -2.610 -32.305 1.00 0.00 C ATOM 1162 O ALA A 81 22.770 -3.450 -33.195 1.00 0.00 O ATOM 1163 CB ALA A 81 22.030 -3.392 -30.094 1.00 0.00 C ATOM 0 H ALA A 81 23.522 -1.593 -29.381 1.00 0.00 H new ATOM 0 HA ALA A 81 23.929 -3.903 -30.953 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.486 -4.178 -30.617 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.313 -3.745 -29.102 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.394 -2.512 -29.998 1.00 0.00 H new ATOM 1169 N ALA A 82 22.740 -1.313 -32.510 1.00 0.00 N ATOM 1170 CA ALA A 82 22.303 -0.784 -33.798 1.00 0.00 C ATOM 1171 C ALA A 82 23.459 -0.614 -34.775 1.00 0.00 C ATOM 1172 O ALA A 82 23.254 -0.628 -35.987 1.00 0.00 O ATOM 1173 CB ALA A 82 21.607 0.551 -33.603 1.00 0.00 C ATOM 0 H ALA A 82 22.903 -0.601 -31.798 1.00 0.00 H new ATOM 0 HA ALA A 82 21.610 -1.510 -34.225 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.285 0.938 -34.570 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.739 0.418 -32.958 1.00 0.00 H new ATOM 0 HB3 ALA A 82 22.297 1.257 -33.142 1.00 0.00 H new ATOM 1241 N SER A 89 21.204 -9.586 -36.270 1.00 0.00 N ATOM 1242 CA SER A 89 20.628 -8.265 -36.497 1.00 0.00 C ATOM 1243 C SER A 89 19.979 -7.720 -35.221 1.00 0.00 C ATOM 1244 O SER A 89 19.863 -8.424 -34.217 1.00 0.00 O ATOM 1245 CB SER A 89 19.606 -8.331 -37.635 1.00 0.00 C ATOM 1246 OG SER A 89 19.129 -7.043 -37.977 1.00 0.00 O ATOM 0 HA SER A 89 21.430 -7.583 -36.779 1.00 0.00 H new ATOM 0 HB2 SER A 89 20.062 -8.795 -38.509 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.769 -8.963 -37.338 1.00 0.00 H new ATOM 0 HG SER A 89 18.480 -7.118 -38.707 1.00 0.00 H new ATOM 1252 N LEU A 90 19.555 -6.461 -35.269 1.00 0.00 N ATOM 1253 CA LEU A 90 19.019 -5.777 -34.097 1.00 0.00 C ATOM 1254 C LEU A 90 17.703 -6.399 -33.648 1.00 0.00 C ATOM 1255 O LEU A 90 17.441 -6.486 -32.454 1.00 0.00 O ATOM 1256 CB LEU A 90 18.852 -4.276 -34.395 1.00 0.00 C ATOM 1257 CG LEU A 90 18.396 -3.376 -33.227 1.00 0.00 C ATOM 1258 CD1 LEU A 90 16.884 -3.392 -33.070 1.00 0.00 C ATOM 1259 CD2 LEU A 90 19.071 -3.784 -31.925 1.00 0.00 C ATOM 0 H LEU A 90 19.573 -5.890 -36.114 1.00 0.00 H new ATOM 0 HA LEU A 90 19.727 -5.892 -33.276 1.00 0.00 H new ATOM 0 HB2 LEU A 90 19.805 -3.896 -34.764 1.00 0.00 H new ATOM 0 HB3 LEU A 90 18.131 -4.170 -35.206 1.00 0.00 H new ATOM 0 HG LEU A 90 18.699 -2.356 -33.466 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.598 -2.748 -32.239 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.419 -3.029 -33.987 1.00 0.00 H new ATOM 0 HD13 LEU A 90 16.550 -4.410 -32.872 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.731 -3.133 -31.119 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.814 -4.817 -31.690 1.00 0.00 H new ATOM 0 HD23 LEU A 90 20.152 -3.695 -32.032 1.00 0.00 H new ATOM 1271 N SER A 91 16.894 -6.849 -34.600 1.00 0.00 N ATOM 1272 CA SER A 91 15.614 -7.483 -34.288 1.00 0.00 C ATOM 1273 C SER A 91 15.780 -8.619 -33.271 1.00 0.00 C ATOM 1274 O SER A 91 14.891 -8.875 -32.461 1.00 0.00 O ATOM 1275 CB SER A 91 14.962 -8.007 -35.569 1.00 0.00 C ATOM 1276 OG SER A 91 14.676 -6.945 -36.468 1.00 0.00 O ATOM 0 H SER A 91 17.100 -6.787 -35.597 1.00 0.00 H new ATOM 0 HA SER A 91 14.967 -6.730 -33.838 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.625 -8.726 -36.050 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.042 -8.537 -35.322 1.00 0.00 H new ATOM 0 HG SER A 91 14.261 -7.306 -37.279 1.00 0.00 H new ATOM 1282 N THR A 92 16.926 -9.284 -33.304 1.00 0.00 N ATOM 1283 CA THR A 92 17.213 -10.343 -32.352 1.00 0.00 C ATOM 1284 C THR A 92 17.925 -9.784 -31.115 1.00 0.00 C ATOM 1285 O THR A 92 17.718 -10.256 -29.995 1.00 0.00 O ATOM 1286 CB THR A 92 18.081 -11.434 -33.003 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.493 -11.840 -34.246 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.217 -12.643 -32.088 1.00 0.00 C ATOM 0 H THR A 92 17.670 -9.108 -33.979 1.00 0.00 H new ATOM 0 HA THR A 92 16.265 -10.782 -32.042 1.00 0.00 H new ATOM 0 HB THR A 92 19.074 -11.021 -33.179 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.048 -12.534 -34.660 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.835 -13.399 -32.573 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.683 -12.339 -31.151 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.230 -13.058 -31.884 1.00 0.00 H new ATOM 1296 N LYS A 93 18.740 -8.753 -31.316 1.00 0.00 N ATOM 1297 CA LYS A 93 19.550 -8.201 -30.236 1.00 0.00 C ATOM 1298 C LYS A 93 18.716 -7.349 -29.272 1.00 0.00 C ATOM 1299 O LYS A 93 19.010 -7.292 -28.080 1.00 0.00 O ATOM 1300 CB LYS A 93 20.727 -7.394 -30.797 1.00 0.00 C ATOM 1301 CG LYS A 93 21.666 -8.232 -31.655 1.00 0.00 C ATOM 1302 CD LYS A 93 23.067 -7.639 -31.727 1.00 0.00 C ATOM 1303 CE LYS A 93 23.108 -6.309 -32.456 1.00 0.00 C ATOM 1304 NZ LYS A 93 22.721 -6.437 -33.883 1.00 0.00 N ATOM 0 H LYS A 93 18.857 -8.284 -32.214 1.00 0.00 H new ATOM 0 HA LYS A 93 19.946 -9.041 -29.666 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.342 -6.566 -31.392 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.289 -6.959 -29.971 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.722 -9.242 -31.249 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.257 -8.316 -32.662 1.00 0.00 H new ATOM 0 HD2 LYS A 93 23.452 -7.506 -30.716 1.00 0.00 H new ATOM 0 HD3 LYS A 93 23.729 -8.344 -32.230 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.438 -5.605 -31.962 1.00 0.00 H new ATOM 0 HE3 LYS A 93 24.113 -5.892 -32.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.377 -5.885 -34.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.760 -7.437 -34.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.754 -6.078 -34.014 1.00 0.00 H new ATOM 1318 N THR A 94 17.677 -6.692 -29.781 1.00 0.00 N ATOM 1319 CA THR A 94 16.774 -5.921 -28.928 1.00 0.00 C ATOM 1320 C THR A 94 16.038 -6.827 -27.932 1.00 0.00 C ATOM 1321 O THR A 94 15.612 -6.379 -26.868 1.00 0.00 O ATOM 1322 CB THR A 94 15.741 -5.123 -29.764 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.917 -4.322 -28.906 1.00 0.00 O ATOM 1324 CG2 THR A 94 14.854 -6.050 -30.587 1.00 0.00 C ATOM 0 H THR A 94 17.440 -6.677 -30.773 1.00 0.00 H new ATOM 0 HA THR A 94 17.393 -5.215 -28.374 1.00 0.00 H new ATOM 0 HB THR A 94 16.299 -4.480 -30.445 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.270 -3.822 -29.447 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.142 -5.457 -31.161 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.472 -6.634 -31.269 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.313 -6.722 -29.921 1.00 0.00 H new ATOM 1332 N SER A 95 15.898 -8.101 -28.281 1.00 0.00 N ATOM 1333 CA SER A 95 15.186 -9.053 -27.452 1.00 0.00 C ATOM 1334 C SER A 95 16.114 -9.695 -26.421 1.00 0.00 C ATOM 1335 O SER A 95 15.722 -9.922 -25.275 1.00 0.00 O ATOM 1336 CB SER A 95 14.575 -10.122 -28.351 1.00 0.00 C ATOM 1337 OG SER A 95 13.835 -9.533 -29.409 1.00 0.00 O ATOM 0 H SER A 95 16.274 -8.497 -29.143 1.00 0.00 H new ATOM 0 HA SER A 95 14.402 -8.531 -26.904 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.364 -10.752 -28.761 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.924 -10.769 -27.763 1.00 0.00 H new ATOM 0 HG SER A 95 14.404 -9.456 -30.203 1.00 0.00 H new ATOM 1343 N SER A 96 17.347 -9.972 -26.825 1.00 0.00 N ATOM 1344 CA SER A 96 18.299 -10.654 -25.959 1.00 0.00 C ATOM 1345 C SER A 96 18.649 -9.813 -24.730 1.00 0.00 C ATOM 1346 O SER A 96 18.877 -10.355 -23.647 1.00 0.00 O ATOM 1347 CB SER A 96 19.549 -11.019 -26.757 1.00 0.00 C ATOM 1348 OG SER A 96 19.714 -10.152 -27.863 1.00 0.00 O ATOM 0 H SER A 96 17.711 -9.735 -27.748 1.00 0.00 H new ATOM 0 HA SER A 96 17.836 -11.570 -25.590 1.00 0.00 H new ATOM 0 HB2 SER A 96 20.426 -10.963 -26.112 1.00 0.00 H new ATOM 0 HB3 SER A 96 19.475 -12.049 -27.105 1.00 0.00 H new ATOM 0 HG SER A 96 20.542 -9.638 -27.755 1.00 0.00 H new ATOM 1354 N ILE A 97 18.659 -8.493 -24.893 1.00 0.00 N ATOM 1355 CA ILE A 97 18.904 -7.589 -23.771 1.00 0.00 C ATOM 1356 C ILE A 97 17.860 -7.798 -22.680 1.00 0.00 C ATOM 1357 O ILE A 97 18.198 -8.044 -21.524 1.00 0.00 O ATOM 1358 CB ILE A 97 18.881 -6.108 -24.207 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.991 -5.833 -25.224 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.023 -5.195 -22.991 1.00 0.00 C ATOM 1361 CD1 ILE A 97 20.012 -4.406 -25.726 1.00 0.00 C ATOM 0 H ILE A 97 18.501 -8.026 -25.786 1.00 0.00 H new ATOM 0 HA ILE A 97 19.897 -7.822 -23.388 1.00 0.00 H new ATOM 0 HB ILE A 97 17.923 -5.899 -24.683 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.954 -6.064 -24.769 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.870 -6.506 -26.073 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.005 -4.154 -23.314 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.198 -5.376 -22.302 1.00 0.00 H new ATOM 0 HG23 ILE A 97 19.968 -5.403 -22.488 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.824 -4.284 -26.443 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.063 -4.177 -26.210 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.164 -3.727 -24.887 1.00 0.00 H new ATOM 1373 N ALA A 98 16.590 -7.736 -23.069 1.00 0.00 N ATOM 1374 CA ALA A 98 15.488 -7.845 -22.122 1.00 0.00 C ATOM 1375 C ALA A 98 15.492 -9.195 -21.410 1.00 0.00 C ATOM 1376 O ALA A 98 15.117 -9.290 -20.237 1.00 0.00 O ATOM 1377 CB ALA A 98 14.167 -7.620 -22.835 1.00 0.00 C ATOM 0 H ALA A 98 16.299 -7.610 -24.038 1.00 0.00 H new ATOM 0 HA ALA A 98 15.618 -7.075 -21.362 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.349 -7.703 -22.120 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.159 -6.626 -23.281 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.043 -8.369 -23.617 1.00 0.00 H new ATOM 1383 N SER A 99 15.947 -10.233 -22.102 1.00 0.00 N ATOM 1384 CA SER A 99 15.986 -11.562 -21.530 1.00 0.00 C ATOM 1385 C SER A 99 17.080 -11.620 -20.469 1.00 0.00 C ATOM 1386 O SER A 99 16.896 -12.193 -19.392 1.00 0.00 O ATOM 1387 CB SER A 99 16.227 -12.597 -22.635 1.00 0.00 C ATOM 1388 OG SER A 99 16.123 -13.921 -22.139 1.00 0.00 O ATOM 0 H SER A 99 16.293 -10.174 -23.060 1.00 0.00 H new ATOM 0 HA SER A 99 15.032 -11.793 -21.057 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.503 -12.450 -23.437 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.216 -12.446 -23.067 1.00 0.00 H new ATOM 0 HG SER A 99 16.280 -14.557 -22.868 1.00 0.00 H new ATOM 1394 N ALA A 100 18.206 -10.984 -20.768 1.00 0.00 N ATOM 1395 CA ALA A 100 19.320 -10.919 -19.836 1.00 0.00 C ATOM 1396 C ALA A 100 18.980 -10.026 -18.649 1.00 0.00 C ATOM 1397 O ALA A 100 19.388 -10.301 -17.524 1.00 0.00 O ATOM 1398 CB ALA A 100 20.572 -10.421 -20.537 1.00 0.00 C ATOM 0 H ALA A 100 18.370 -10.505 -21.653 1.00 0.00 H new ATOM 0 HA ALA A 100 19.511 -11.925 -19.462 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.396 -10.379 -19.824 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.829 -11.101 -21.349 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.391 -9.425 -20.942 1.00 0.00 H new ATOM 1404 N MET A 101 18.223 -8.964 -18.907 1.00 0.00 N ATOM 1405 CA MET A 101 17.782 -8.060 -17.858 1.00 0.00 C ATOM 1406 C MET A 101 16.869 -8.781 -16.874 1.00 0.00 C ATOM 1407 O MET A 101 16.982 -8.601 -15.661 1.00 0.00 O ATOM 1408 CB MET A 101 17.058 -6.870 -18.475 1.00 0.00 C ATOM 1409 CG MET A 101 17.990 -5.847 -19.104 1.00 0.00 C ATOM 1410 SD MET A 101 17.123 -4.726 -20.210 1.00 0.00 S ATOM 1411 CE MET A 101 15.622 -4.468 -19.281 1.00 0.00 C ATOM 0 H MET A 101 17.902 -8.710 -19.841 1.00 0.00 H new ATOM 0 HA MET A 101 18.656 -7.704 -17.313 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.364 -7.232 -19.234 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.461 -6.380 -17.706 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.479 -5.272 -18.318 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.775 -6.364 -19.656 1.00 0.00 H new ATOM 0 HE1 MET A 101 14.998 -3.737 -19.794 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.081 -5.410 -19.195 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.869 -4.099 -18.285 1.00 0.00 H new ATOM 1421 N SER A 102 15.974 -9.609 -17.407 1.00 0.00 N ATOM 1422 CA SER A 102 15.076 -10.407 -16.581 1.00 0.00 C ATOM 1423 C SER A 102 15.883 -11.350 -15.692 1.00 0.00 C ATOM 1424 O SER A 102 15.629 -11.479 -14.494 1.00 0.00 O ATOM 1425 CB SER A 102 14.123 -11.217 -17.467 1.00 0.00 C ATOM 1426 OG SER A 102 13.424 -10.387 -18.385 1.00 0.00 O ATOM 0 H SER A 102 15.852 -9.744 -18.411 1.00 0.00 H new ATOM 0 HA SER A 102 14.491 -9.737 -15.952 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.688 -11.970 -18.016 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.407 -11.749 -16.840 1.00 0.00 H new ATOM 0 HG SER A 102 14.038 -10.086 -19.087 1.00 0.00 H new ATOM 1432 N ASN A 103 16.874 -11.986 -16.301 1.00 0.00 N ATOM 1433 CA ASN A 103 17.737 -12.936 -15.611 1.00 0.00 C ATOM 1434 C ASN A 103 18.628 -12.244 -14.578 1.00 0.00 C ATOM 1435 O ASN A 103 18.901 -12.800 -13.519 1.00 0.00 O ATOM 1436 CB ASN A 103 18.583 -13.698 -16.644 1.00 0.00 C ATOM 1437 CG ASN A 103 19.794 -14.387 -16.044 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.689 -15.468 -15.462 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.961 -13.785 -16.226 1.00 0.00 N ATOM 0 H ASN A 103 17.103 -11.858 -17.287 1.00 0.00 H new ATOM 0 HA ASN A 103 17.110 -13.642 -15.066 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.957 -14.443 -17.136 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.915 -13.002 -17.414 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.817 -14.217 -15.878 1.00 0.00 H new ATOM 0 HD22 ASN A 103 21.003 -12.890 -16.714 1.00 0.00 H new ATOM 1446 N ALA A 104 19.061 -11.027 -14.883 1.00 0.00 N ATOM 1447 CA ALA A 104 19.967 -10.287 -14.010 1.00 0.00 C ATOM 1448 C ALA A 104 19.308 -9.917 -12.683 1.00 0.00 C ATOM 1449 O ALA A 104 19.884 -10.128 -11.610 1.00 0.00 O ATOM 1450 CB ALA A 104 20.460 -9.038 -14.715 1.00 0.00 C ATOM 0 H ALA A 104 18.798 -10.528 -15.733 1.00 0.00 H new ATOM 0 HA ALA A 104 20.813 -10.937 -13.784 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.135 -8.491 -14.057 1.00 0.00 H new ATOM 0 HB2 ALA A 104 20.989 -9.319 -15.626 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.610 -8.405 -14.970 1.00 0.00 H new ATOM 1456 N PHE A 105 18.098 -9.371 -12.749 1.00 0.00 N ATOM 1457 CA PHE A 105 17.376 -8.979 -11.543 1.00 0.00 C ATOM 1458 C PHE A 105 17.032 -10.226 -10.727 1.00 0.00 C ATOM 1459 O PHE A 105 16.984 -10.201 -9.493 1.00 0.00 O ATOM 1460 CB PHE A 105 16.105 -8.204 -11.920 1.00 0.00 C ATOM 1461 CG PHE A 105 15.684 -7.186 -10.894 1.00 0.00 C ATOM 1462 CD1 PHE A 105 16.534 -6.152 -10.536 1.00 0.00 C ATOM 1463 CD2 PHE A 105 14.440 -7.259 -10.293 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.150 -5.212 -9.599 1.00 0.00 C ATOM 1465 CE2 PHE A 105 14.050 -6.322 -9.355 1.00 0.00 C ATOM 1466 CZ PHE A 105 14.906 -5.297 -9.008 1.00 0.00 C ATOM 0 H PHE A 105 17.599 -9.190 -13.620 1.00 0.00 H new ATOM 0 HA PHE A 105 18.004 -8.327 -10.937 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.268 -7.699 -12.872 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.290 -8.912 -12.070 1.00 0.00 H new ATOM 0 HD1 PHE A 105 17.509 -6.080 -10.995 1.00 0.00 H new ATOM 0 HD2 PHE A 105 13.765 -8.059 -10.560 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.823 -4.411 -9.329 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.076 -6.392 -8.894 1.00 0.00 H new ATOM 0 HZ PHE A 105 14.603 -4.563 -8.276 1.00 0.00 H new ATOM 1476 N LEU A 106 16.830 -11.322 -11.446 1.00 0.00 N ATOM 1477 CA LEU A 106 16.546 -12.614 -10.867 1.00 0.00 C ATOM 1478 C LEU A 106 17.711 -13.135 -10.018 1.00 0.00 C ATOM 1479 O LEU A 106 17.517 -13.972 -9.137 1.00 0.00 O ATOM 1480 CB LEU A 106 16.267 -13.562 -12.021 1.00 0.00 C ATOM 1481 CG LEU A 106 15.420 -14.784 -11.716 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.178 -14.395 -10.929 1.00 0.00 C ATOM 1483 CD2 LEU A 106 15.038 -15.435 -13.026 1.00 0.00 C ATOM 0 H LEU A 106 16.861 -11.331 -12.465 1.00 0.00 H new ATOM 0 HA LEU A 106 15.691 -12.537 -10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.775 -12.997 -12.813 1.00 0.00 H new ATOM 0 HB3 LEU A 106 17.223 -13.902 -12.419 1.00 0.00 H new ATOM 0 HG LEU A 106 15.988 -15.485 -11.105 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.585 -15.286 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.474 -13.929 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.583 -13.691 -11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.428 -16.317 -12.830 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.470 -14.728 -13.632 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.940 -15.730 -13.562 1.00 0.00 H new ATOM 1495 N GLN A 107 18.918 -12.640 -10.280 1.00 0.00 N ATOM 1496 CA GLN A 107 20.100 -13.111 -9.562 1.00 0.00 C ATOM 1497 C GLN A 107 20.450 -12.187 -8.402 1.00 0.00 C ATOM 1498 O GLN A 107 21.020 -12.623 -7.401 1.00 0.00 O ATOM 1499 CB GLN A 107 21.306 -13.218 -10.504 1.00 0.00 C ATOM 1500 CG GLN A 107 21.010 -13.967 -11.790 1.00 0.00 C ATOM 1501 CD GLN A 107 20.359 -15.314 -11.554 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.632 -15.993 -10.564 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.461 -15.689 -12.449 1.00 0.00 N ATOM 0 H GLN A 107 19.103 -11.919 -10.978 1.00 0.00 H new ATOM 0 HA GLN A 107 19.862 -14.098 -9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.654 -12.215 -10.750 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.121 -13.719 -9.981 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.357 -13.359 -12.416 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.939 -14.110 -12.343 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.266 -15.095 -13.255 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.964 -16.572 -12.333 1.00 0.00 H new ATOM 1512 N THR A 108 20.100 -10.919 -8.531 1.00 0.00 N ATOM 1513 CA THR A 108 20.478 -9.930 -7.540 1.00 0.00 C ATOM 1514 C THR A 108 19.539 -9.947 -6.342 1.00 0.00 C ATOM 1515 O THR A 108 19.974 -10.074 -5.196 1.00 0.00 O ATOM 1516 CB THR A 108 20.501 -8.527 -8.164 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.395 -8.380 -9.062 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.798 -8.286 -8.912 1.00 0.00 C ATOM 0 H THR A 108 19.556 -10.552 -9.311 1.00 0.00 H new ATOM 0 HA THR A 108 21.478 -10.186 -7.189 1.00 0.00 H new ATOM 0 HB THR A 108 20.424 -7.794 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.412 -7.483 -9.457 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.788 -7.285 -9.344 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.638 -8.375 -8.223 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.902 -9.024 -9.708 1.00 0.00 H new ATOM 1526 N THR A 109 18.251 -9.818 -6.609 1.00 0.00 N ATOM 1527 CA THR A 109 17.254 -9.806 -5.552 1.00 0.00 C ATOM 1528 C THR A 109 16.323 -11.015 -5.659 1.00 0.00 C ATOM 1529 O THR A 109 15.509 -11.265 -4.771 1.00 0.00 O ATOM 1530 CB THR A 109 16.447 -8.487 -5.579 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.341 -8.543 -4.666 1.00 0.00 O ATOM 1532 CG2 THR A 109 15.952 -8.186 -6.984 1.00 0.00 C ATOM 0 H THR A 109 17.870 -9.720 -7.550 1.00 0.00 H new ATOM 0 HA THR A 109 17.775 -9.870 -4.597 1.00 0.00 H new ATOM 0 HB THR A 109 17.113 -7.683 -5.265 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.162 -9.476 -4.425 1.00 0.00 H new ATOM 0 HG21 THR A 109 15.387 -7.254 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 109 16.804 -8.090 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.309 -8.998 -7.325 1.00 0.00 H new ATOM 1540 N GLY A 110 16.454 -11.765 -6.747 1.00 0.00 N ATOM 1541 CA GLY A 110 15.676 -12.981 -6.909 1.00 0.00 C ATOM 1542 C GLY A 110 14.265 -12.714 -7.389 1.00 0.00 C ATOM 1543 O GLY A 110 13.401 -13.583 -7.313 1.00 0.00 O ATOM 0 H GLY A 110 17.085 -11.554 -7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.179 -13.637 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.637 -13.512 -5.958 1.00 0.00 H new ATOM 1547 N VAL A 111 14.031 -11.510 -7.885 1.00 0.00 N ATOM 1548 CA VAL A 111 12.709 -11.115 -8.353 1.00 0.00 C ATOM 1549 C VAL A 111 12.819 -10.549 -9.758 1.00 0.00 C ATOM 1550 O VAL A 111 13.887 -10.101 -10.161 1.00 0.00 O ATOM 1551 CB VAL A 111 12.066 -10.058 -7.417 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.606 -9.821 -7.771 1.00 0.00 C ATOM 1553 CG2 VAL A 111 12.195 -10.474 -5.959 1.00 0.00 C ATOM 0 H VAL A 111 14.742 -10.785 -7.975 1.00 0.00 H new ATOM 0 HA VAL A 111 12.071 -11.999 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 111 12.606 -9.122 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.185 -9.075 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.534 -9.463 -8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 111 10.052 -10.754 -7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.737 -9.717 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.692 -11.429 -5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 111 13.249 -10.575 -5.701 1.00 0.00 H new ATOM 1563 N VAL A 112 11.734 -10.596 -10.511 1.00 0.00 N ATOM 1564 CA VAL A 112 11.719 -10.020 -11.844 1.00 0.00 C ATOM 1565 C VAL A 112 10.899 -8.731 -11.861 1.00 0.00 C ATOM 1566 O VAL A 112 9.685 -8.752 -11.639 1.00 0.00 O ATOM 1567 CB VAL A 112 11.144 -10.999 -12.892 1.00 0.00 C ATOM 1568 CG1 VAL A 112 11.208 -10.396 -14.290 1.00 0.00 C ATOM 1569 CG2 VAL A 112 11.877 -12.330 -12.853 1.00 0.00 C ATOM 0 H VAL A 112 10.855 -11.026 -10.223 1.00 0.00 H new ATOM 0 HA VAL A 112 12.755 -9.805 -12.107 1.00 0.00 H new ATOM 0 HB VAL A 112 10.098 -11.178 -12.643 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.798 -11.104 -15.011 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.627 -9.474 -14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.245 -10.178 -14.545 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.453 -13.001 -13.600 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.934 -12.170 -13.067 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.771 -12.775 -11.864 1.00 0.00 H new ATOM 1579 N ASN A 113 11.562 -7.610 -12.112 1.00 0.00 N ATOM 1580 CA ASN A 113 10.875 -6.329 -12.202 1.00 0.00 C ATOM 1581 C ASN A 113 10.445 -6.080 -13.641 1.00 0.00 C ATOM 1582 O ASN A 113 11.197 -5.525 -14.443 1.00 0.00 O ATOM 1583 CB ASN A 113 11.767 -5.183 -11.716 1.00 0.00 C ATOM 1584 CG ASN A 113 10.998 -3.885 -11.539 1.00 0.00 C ATOM 1585 OD1 ASN A 113 10.824 -3.116 -12.480 1.00 0.00 O ATOM 1586 ND2 ASN A 113 10.545 -3.628 -10.321 1.00 0.00 N ATOM 0 H ASN A 113 12.571 -7.562 -12.256 1.00 0.00 H new ATOM 0 HA ASN A 113 9.997 -6.366 -11.558 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.227 -5.462 -10.768 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.576 -5.028 -12.430 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.031 -2.766 -10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.710 -4.292 -9.565 1.00 0.00 H new ATOM 1593 N GLN A 114 9.241 -6.522 -13.965 1.00 0.00 N ATOM 1594 CA GLN A 114 8.719 -6.424 -15.323 1.00 0.00 C ATOM 1595 C GLN A 114 8.509 -4.964 -15.770 1.00 0.00 C ATOM 1596 O GLN A 114 8.878 -4.618 -16.895 1.00 0.00 O ATOM 1597 CB GLN A 114 7.414 -7.211 -15.438 1.00 0.00 C ATOM 1598 CG GLN A 114 6.953 -7.429 -16.870 1.00 0.00 C ATOM 1599 CD GLN A 114 7.886 -8.329 -17.653 1.00 0.00 C ATOM 1600 OE1 GLN A 114 7.723 -9.546 -17.661 1.00 0.00 O ATOM 1601 NE2 GLN A 114 8.864 -7.740 -18.322 1.00 0.00 N ATOM 0 H GLN A 114 8.600 -6.956 -13.301 1.00 0.00 H new ATOM 0 HA GLN A 114 9.465 -6.855 -15.991 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.541 -8.180 -14.956 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.633 -6.683 -14.891 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.954 -7.865 -16.863 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.877 -6.465 -17.374 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.965 -6.726 -18.289 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.517 -8.300 -18.870 1.00 0.00 H new ATOM 1610 N PRO A 115 7.902 -4.091 -14.924 1.00 0.00 N ATOM 1611 CA PRO A 115 7.678 -2.672 -15.249 1.00 0.00 C ATOM 1612 C PRO A 115 8.888 -1.984 -15.875 1.00 0.00 C ATOM 1613 O PRO A 115 8.761 -1.304 -16.893 1.00 0.00 O ATOM 1614 CB PRO A 115 7.367 -2.023 -13.888 1.00 0.00 C ATOM 1615 CG PRO A 115 7.505 -3.108 -12.868 1.00 0.00 C ATOM 1616 CD PRO A 115 7.335 -4.399 -13.605 1.00 0.00 C ATOM 0 HA PRO A 115 6.885 -2.575 -15.990 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.056 -1.204 -13.681 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.361 -1.604 -13.877 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.479 -3.063 -12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.753 -3.005 -12.086 1.00 0.00 H new ATOM 0 HD2 PRO A 115 7.865 -5.217 -13.117 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.287 -4.693 -13.672 1.00 0.00 H new ATOM 1624 N PHE A 116 10.056 -2.175 -15.279 1.00 0.00 N ATOM 1625 CA PHE A 116 11.249 -1.463 -15.706 1.00 0.00 C ATOM 1626 C PHE A 116 11.733 -1.993 -17.047 1.00 0.00 C ATOM 1627 O PHE A 116 12.242 -1.243 -17.880 1.00 0.00 O ATOM 1628 CB PHE A 116 12.348 -1.601 -14.651 1.00 0.00 C ATOM 1629 CG PHE A 116 13.331 -0.465 -14.653 1.00 0.00 C ATOM 1630 CD1 PHE A 116 12.970 0.768 -14.134 1.00 0.00 C ATOM 1631 CD2 PHE A 116 14.608 -0.625 -15.169 1.00 0.00 C ATOM 1632 CE1 PHE A 116 13.864 1.822 -14.129 1.00 0.00 C ATOM 1633 CE2 PHE A 116 15.506 0.426 -15.164 1.00 0.00 C ATOM 1634 CZ PHE A 116 15.134 1.650 -14.644 1.00 0.00 C ATOM 0 H PHE A 116 10.202 -2.816 -14.499 1.00 0.00 H new ATOM 0 HA PHE A 116 11.004 -0.407 -15.822 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.887 -1.670 -13.666 1.00 0.00 H new ATOM 0 HB3 PHE A 116 12.885 -2.535 -14.818 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.979 0.907 -13.729 1.00 0.00 H new ATOM 0 HD2 PHE A 116 14.904 -1.580 -15.579 1.00 0.00 H new ATOM 0 HE1 PHE A 116 13.570 2.779 -13.723 1.00 0.00 H new ATOM 0 HE2 PHE A 116 16.499 0.290 -15.567 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.835 2.472 -14.640 1.00 0.00 H new ATOM 1644 N ILE A 117 11.547 -3.291 -17.258 1.00 0.00 N ATOM 1645 CA ILE A 117 11.975 -3.929 -18.491 1.00 0.00 C ATOM 1646 C ILE A 117 11.119 -3.461 -19.666 1.00 0.00 C ATOM 1647 O ILE A 117 11.617 -3.285 -20.777 1.00 0.00 O ATOM 1648 CB ILE A 117 11.935 -5.472 -18.379 1.00 0.00 C ATOM 1649 CG1 ILE A 117 12.869 -5.935 -17.255 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.317 -6.123 -19.703 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.009 -7.437 -17.152 1.00 0.00 C ATOM 0 H ILE A 117 11.102 -3.920 -16.589 1.00 0.00 H new ATOM 0 HA ILE A 117 13.009 -3.634 -18.669 1.00 0.00 H new ATOM 0 HB ILE A 117 10.917 -5.780 -18.140 1.00 0.00 H new ATOM 0 HG12 ILE A 117 13.855 -5.498 -17.413 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.498 -5.549 -16.306 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.282 -7.207 -19.599 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.617 -5.810 -20.478 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.326 -5.818 -19.981 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.686 -7.684 -16.334 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.032 -7.881 -16.962 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.411 -7.830 -18.086 1.00 0.00 H new ATOM 1663 N ASN A 118 9.836 -3.224 -19.400 1.00 0.00 N ATOM 1664 CA ASN A 118 8.911 -2.729 -20.422 1.00 0.00 C ATOM 1665 C ASN A 118 9.340 -1.365 -20.941 1.00 0.00 C ATOM 1666 O ASN A 118 9.102 -1.029 -22.098 1.00 0.00 O ATOM 1667 CB ASN A 118 7.486 -2.622 -19.870 1.00 0.00 C ATOM 1668 CG ASN A 118 6.721 -3.927 -19.935 1.00 0.00 C ATOM 1669 OD1 ASN A 118 6.761 -4.695 -18.861 1.00 0.00 O flip ATOM 1670 ND2 ASN A 118 6.078 -4.233 -20.938 1.00 0.00 N flip ATOM 0 H ASN A 118 9.411 -3.367 -18.484 1.00 0.00 H new ATOM 0 HA ASN A 118 8.930 -3.447 -21.241 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.529 -2.285 -18.834 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.942 -1.861 -20.431 1.00 0.00 H new ATOM 0 HD21 ASN A 118 6.072 -3.613 -21.748 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.551 -5.106 -20.959 1.00 0.00 H new ATOM 1677 N GLU A 119 9.964 -0.582 -20.078 1.00 0.00 N ATOM 1678 CA GLU A 119 10.376 0.761 -20.440 1.00 0.00 C ATOM 1679 C GLU A 119 11.617 0.728 -21.328 1.00 0.00 C ATOM 1680 O GLU A 119 11.607 1.281 -22.427 1.00 0.00 O ATOM 1681 CB GLU A 119 10.624 1.589 -19.181 1.00 0.00 C ATOM 1682 CG GLU A 119 9.401 1.676 -18.276 1.00 0.00 C ATOM 1683 CD GLU A 119 9.623 2.548 -17.058 1.00 0.00 C ATOM 1684 OE1 GLU A 119 10.323 2.109 -16.122 1.00 0.00 O ATOM 1685 OE2 GLU A 119 9.086 3.674 -17.022 1.00 0.00 O ATOM 0 H GLU A 119 10.196 -0.854 -19.123 1.00 0.00 H new ATOM 0 HA GLU A 119 9.575 1.231 -21.010 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.452 1.152 -18.623 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.929 2.595 -19.469 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.560 2.069 -18.848 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.125 0.673 -17.952 1.00 0.00 H new ATOM 1692 N ILE A 120 12.670 0.055 -20.861 1.00 0.00 N ATOM 1693 CA ILE A 120 13.922 -0.043 -21.611 1.00 0.00 C ATOM 1694 C ILE A 120 13.685 -0.526 -23.047 1.00 0.00 C ATOM 1695 O ILE A 120 14.211 0.063 -23.994 1.00 0.00 O ATOM 1696 CB ILE A 120 14.949 -0.974 -20.901 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.770 -0.202 -19.863 1.00 0.00 C ATOM 1698 CG2 ILE A 120 15.888 -1.640 -21.899 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.981 0.291 -18.671 1.00 0.00 C ATOM 0 H ILE A 120 12.680 -0.431 -19.964 1.00 0.00 H new ATOM 0 HA ILE A 120 14.340 0.963 -21.649 1.00 0.00 H new ATOM 0 HB ILE A 120 14.374 -1.750 -20.395 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.576 -0.844 -19.507 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.236 0.654 -20.352 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.590 -2.282 -21.366 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.308 -2.240 -22.600 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.439 -0.875 -22.446 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.645 0.825 -17.991 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.192 0.962 -19.010 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.537 -0.558 -18.152 1.00 0.00 H new ATOM 1711 N THR A 121 12.866 -1.565 -23.205 1.00 0.00 N ATOM 1712 CA THR A 121 12.630 -2.166 -24.514 1.00 0.00 C ATOM 1713 C THR A 121 12.108 -1.148 -25.527 1.00 0.00 C ATOM 1714 O THR A 121 12.432 -1.218 -26.716 1.00 0.00 O ATOM 1715 CB THR A 121 11.642 -3.345 -24.414 1.00 0.00 C ATOM 1716 OG1 THR A 121 10.577 -3.017 -23.513 1.00 0.00 O ATOM 1717 CG2 THR A 121 12.347 -4.603 -23.939 1.00 0.00 C ATOM 0 H THR A 121 12.355 -2.007 -22.441 1.00 0.00 H new ATOM 0 HA THR A 121 13.594 -2.534 -24.865 1.00 0.00 H new ATOM 0 HB THR A 121 11.232 -3.532 -25.407 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.845 -3.235 -22.596 1.00 0.00 H new ATOM 0 HG21 THR A 121 11.629 -5.421 -23.876 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.136 -4.866 -24.643 1.00 0.00 H new ATOM 0 HG23 THR A 121 12.783 -4.427 -22.956 1.00 0.00 H new ATOM 1725 N GLN A 122 11.327 -0.190 -25.049 1.00 0.00 N ATOM 1726 CA GLN A 122 10.744 0.817 -25.922 1.00 0.00 C ATOM 1727 C GLN A 122 11.822 1.736 -26.486 1.00 0.00 C ATOM 1728 O GLN A 122 11.843 2.005 -27.687 1.00 0.00 O ATOM 1729 CB GLN A 122 9.684 1.634 -25.177 1.00 0.00 C ATOM 1730 CG GLN A 122 8.567 0.783 -24.597 1.00 0.00 C ATOM 1731 CD GLN A 122 7.851 -0.045 -25.647 1.00 0.00 C ATOM 1732 OE1 GLN A 122 8.255 -1.171 -25.950 1.00 0.00 O ATOM 1733 NE2 GLN A 122 6.778 0.495 -26.199 1.00 0.00 N ATOM 0 H GLN A 122 11.083 -0.089 -24.064 1.00 0.00 H new ATOM 0 HA GLN A 122 10.262 0.302 -26.753 1.00 0.00 H new ATOM 0 HB2 GLN A 122 10.164 2.190 -24.371 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.255 2.368 -25.859 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.980 0.119 -23.837 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.846 1.430 -24.098 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.477 1.429 -25.921 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.251 -0.022 -26.903 1.00 0.00 H new ATOM 1742 N LEU A 123 12.732 2.193 -25.629 1.00 0.00 N ATOM 1743 CA LEU A 123 13.789 3.100 -26.072 1.00 0.00 C ATOM 1744 C LEU A 123 14.812 2.360 -26.921 1.00 0.00 C ATOM 1745 O LEU A 123 15.422 2.953 -27.806 1.00 0.00 O ATOM 1746 CB LEU A 123 14.506 3.787 -24.902 1.00 0.00 C ATOM 1747 CG LEU A 123 13.657 4.675 -23.984 1.00 0.00 C ATOM 1748 CD1 LEU A 123 12.556 5.385 -24.756 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.091 3.872 -22.829 1.00 0.00 C ATOM 0 H LEU A 123 12.760 1.955 -24.638 1.00 0.00 H new ATOM 0 HA LEU A 123 13.301 3.872 -26.667 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.970 3.014 -24.289 1.00 0.00 H new ATOM 0 HB3 LEU A 123 15.312 4.397 -25.311 1.00 0.00 H new ATOM 0 HG LEU A 123 14.309 5.445 -23.571 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.975 6.005 -24.073 1.00 0.00 H new ATOM 0 HD12 LEU A 123 13.000 6.013 -25.528 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.903 4.646 -25.221 1.00 0.00 H new ATOM 0 HD21 LEU A 123 12.493 4.523 -22.192 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.465 3.069 -23.217 1.00 0.00 H new ATOM 0 HD23 LEU A 123 13.908 3.446 -22.247 1.00 0.00 H new ATOM 1761 N VAL A 124 15.002 1.071 -26.654 1.00 0.00 N ATOM 1762 CA VAL A 124 15.925 0.270 -27.453 1.00 0.00 C ATOM 1763 C VAL A 124 15.481 0.253 -28.908 1.00 0.00 C ATOM 1764 O VAL A 124 16.232 0.641 -29.796 1.00 0.00 O ATOM 1765 CB VAL A 124 16.039 -1.184 -26.949 1.00 0.00 C ATOM 1766 CG1 VAL A 124 16.982 -1.987 -27.836 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.521 -1.217 -25.509 1.00 0.00 C ATOM 0 H VAL A 124 14.536 0.564 -25.901 1.00 0.00 H new ATOM 0 HA VAL A 124 16.905 0.737 -27.358 1.00 0.00 H new ATOM 0 HB VAL A 124 15.048 -1.636 -26.994 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.049 -3.009 -27.464 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.601 -1.997 -28.857 1.00 0.00 H new ATOM 0 HG13 VAL A 124 17.972 -1.530 -27.822 1.00 0.00 H new ATOM 0 HG21 VAL A 124 16.594 -2.251 -25.173 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.501 -0.744 -25.442 1.00 0.00 H new ATOM 0 HG23 VAL A 124 15.814 -0.680 -24.876 1.00 0.00 H new ATOM 1777 N SER A 125 14.246 -0.170 -29.130 1.00 0.00 N ATOM 1778 CA SER A 125 13.684 -0.249 -30.470 1.00 0.00 C ATOM 1779 C SER A 125 13.716 1.125 -31.148 1.00 0.00 C ATOM 1780 O SER A 125 14.007 1.237 -32.340 1.00 0.00 O ATOM 1781 CB SER A 125 12.252 -0.778 -30.384 1.00 0.00 C ATOM 1782 OG SER A 125 11.720 -1.063 -31.667 1.00 0.00 O ATOM 0 H SER A 125 13.608 -0.467 -28.391 1.00 0.00 H new ATOM 0 HA SER A 125 14.282 -0.932 -31.074 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.234 -1.681 -29.774 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.622 -0.043 -29.884 1.00 0.00 H new ATOM 0 HG SER A 125 10.805 -1.400 -31.574 1.00 0.00 H new ATOM 1788 N MET A 126 13.429 2.160 -30.371 1.00 0.00 N ATOM 1789 CA MET A 126 13.431 3.531 -30.866 1.00 0.00 C ATOM 1790 C MET A 126 14.829 3.989 -31.268 1.00 0.00 C ATOM 1791 O MET A 126 15.109 4.211 -32.446 1.00 0.00 O ATOM 1792 CB MET A 126 12.894 4.471 -29.788 1.00 0.00 C ATOM 1793 CG MET A 126 11.386 4.435 -29.629 1.00 0.00 C ATOM 1794 SD MET A 126 10.839 5.205 -28.090 1.00 0.00 S ATOM 1795 CE MET A 126 11.809 6.709 -28.100 1.00 0.00 C ATOM 0 H MET A 126 13.189 2.075 -29.383 1.00 0.00 H new ATOM 0 HA MET A 126 12.794 3.559 -31.750 1.00 0.00 H new ATOM 0 HB2 MET A 126 13.355 4.214 -28.834 1.00 0.00 H new ATOM 0 HB3 MET A 126 13.199 5.490 -30.025 1.00 0.00 H new ATOM 0 HG2 MET A 126 10.922 4.946 -30.473 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.045 3.400 -29.656 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.402 7.410 -27.371 1.00 0.00 H new ATOM 0 HE2 MET A 126 12.842 6.477 -27.842 1.00 0.00 H new ATOM 0 HE3 MET A 126 11.775 7.158 -29.093 1.00 0.00 H new ATOM 1805 N PHE A 127 15.705 4.110 -30.279 1.00 0.00 N ATOM 1806 CA PHE A 127 17.008 4.731 -30.465 1.00 0.00 C ATOM 1807 C PHE A 127 17.916 3.908 -31.377 1.00 0.00 C ATOM 1808 O PHE A 127 18.793 4.458 -32.042 1.00 0.00 O ATOM 1809 CB PHE A 127 17.673 4.966 -29.106 1.00 0.00 C ATOM 1810 CG PHE A 127 17.015 6.048 -28.291 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.911 7.342 -28.779 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.506 5.770 -27.034 1.00 0.00 C ATOM 1813 CE1 PHE A 127 16.307 8.335 -28.028 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.902 6.757 -26.278 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.802 8.041 -26.776 1.00 0.00 C ATOM 0 H PHE A 127 15.532 3.781 -29.329 1.00 0.00 H new ATOM 0 HA PHE A 127 16.850 5.690 -30.959 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.658 4.036 -28.538 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.719 5.227 -29.263 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.306 7.577 -29.756 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.582 4.768 -26.639 1.00 0.00 H new ATOM 0 HE1 PHE A 127 16.230 9.338 -28.420 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.509 6.524 -25.299 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.330 8.814 -26.188 1.00 0.00 H new ATOM 1825 N ALA A 128 17.705 2.597 -31.421 1.00 0.00 N ATOM 1826 CA ALA A 128 18.511 1.733 -32.272 1.00 0.00 C ATOM 1827 C ALA A 128 18.233 1.999 -33.746 1.00 0.00 C ATOM 1828 O ALA A 128 19.133 2.355 -34.506 1.00 0.00 O ATOM 1829 CB ALA A 128 18.260 0.270 -31.949 1.00 0.00 C ATOM 0 H ALA A 128 16.988 2.113 -30.881 1.00 0.00 H new ATOM 0 HA ALA A 128 19.559 1.960 -32.074 1.00 0.00 H new ATOM 0 HB1 ALA A 128 18.873 -0.356 -32.597 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.519 0.078 -30.908 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.207 0.037 -32.110 1.00 0.00 H new ATOM 1835 N GLN A 129 16.977 1.838 -34.146 1.00 0.00 N ATOM 1836 CA GLN A 129 16.594 2.010 -35.541 1.00 0.00 C ATOM 1837 C GLN A 129 16.753 3.460 -35.983 1.00 0.00 C ATOM 1838 O GLN A 129 17.035 3.731 -37.150 1.00 0.00 O ATOM 1839 CB GLN A 129 15.160 1.540 -35.750 1.00 0.00 C ATOM 1840 CG GLN A 129 14.931 0.127 -35.248 1.00 0.00 C ATOM 1841 CD GLN A 129 13.557 -0.405 -35.580 1.00 0.00 C ATOM 1842 OE1 GLN A 129 12.588 0.346 -35.688 1.00 0.00 O ATOM 1843 NE2 GLN A 129 13.468 -1.712 -35.734 1.00 0.00 N ATOM 0 H GLN A 129 16.208 1.589 -33.524 1.00 0.00 H new ATOM 0 HA GLN A 129 17.259 1.402 -36.155 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.480 2.219 -35.236 1.00 0.00 H new ATOM 0 HB3 GLN A 129 14.916 1.589 -36.811 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.684 -0.532 -35.681 1.00 0.00 H new ATOM 0 HG3 GLN A 129 15.071 0.105 -34.167 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.299 -2.295 -35.635 1.00 0.00 H new ATOM 0 HE22 GLN A 129 12.568 -2.140 -35.952 1.00 0.00 H new