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 91:sc= 0.389 USER MOD Set 1.2: A 122 GLN : amide:sc= 0.332 X(o=0.72,f=0.66) USER MOD Set 2.1: A 114 GLN : amide:sc= 0.41 K(o=0.6,f=-0.067) USER MOD Set 2.2: A 118 ASN : amide:sc= 0.192 K(o=0.6,f=-1.2) USER MOD Set 3.1: A 103 ASN : amide:sc= 0.763 K(o=1.4,f=-1.8) USER MOD Set 3.2: A 107 GLN : amide:sc= 0.645 K(o=1.4,f=-0.94) USER MOD Set 4.1: A 89 SER OG : rot -155:sc= 1.36 USER MOD Set 4.2: A 92 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 8 THR OG1 : rot 26:sc= 0.424 USER MOD Single : A 11 THR OG1 : rot 41:sc= -0.17 USER MOD Single : A 12 ASN : amide:sc= -2.15! C(o=-2.2!,f=-7.5!) USER MOD Single : A 18 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.6!) USER MOD Single : A 20 MET CE :methyl -142:sc= -0.223 (180deg=-1.94) USER MOD Single : A 21 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 22 SER OG : rot 130:sc= -0.243 USER MOD Single : A 24 MET CE :methyl 153:sc= -0.958 (180deg=-2.35!) USER MOD Single : A 25 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.36) USER MOD Single : A 28 SER OG : rot -84:sc= 1.16 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 179:sc= -0.518 (180deg=-0.559) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.96 K(o=-2,f=-5.4!) USER MOD Single : A 41 MET CE :methyl -154:sc= -0.187 (180deg=-1.33) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 68:sc= 0.984 USER MOD Single : A 46 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.15) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -105:sc= -1.16 (180deg=-2.12) USER MOD Single : A 50 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.17) USER MOD Single : A 51 SER OG : rot 109:sc= 1.22 USER MOD Single : A 53 GLN : amide:sc= 0.173 K(o=0.17,f=-0.85) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0141 F(o=-1.2!,f=-0.014) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.216 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.24 F(o=-0.78!,f=-0.24) USER MOD Single : A 65 LYS NZ :NH3+ -150:sc= 1.24 (180deg=1.01) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.42) USER MOD Single : A 71 MET CE :methyl -172:sc= -1.67 (180deg=-1.89) USER MOD Single : A 75 SER OG : rot -7:sc= 0.0313 USER MOD Single : A 76 SER OG : rot 87:sc= 1.26 USER MOD Single : A 77 MET CE :methyl -173:sc= -0.536 (180deg=-0.764) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 142:sc= 1.97 (180deg=0.525) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00433 USER MOD Single : A 95 SER OG : rot 84:sc= 0.162 USER MOD Single : A 96 SER OG : rot 88:sc= 1.06 USER MOD Single : A 99 SER OG : rot 67:sc= 1.22 USER MOD Single : A 101 MET CE :methyl -171:sc= -2.17! (180deg=-2.38) USER MOD Single : A 102 SER OG : rot -86:sc= 1.2 USER MOD Single : A 108 THR OG1 : rot -81:sc= 0.838 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -3.46! C(o=-3.5!,f=-10!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 158:sc= -0.144 (180deg=-0.917) USER MOD Single : A 129 GLN : amide:sc= -0.325 K(o=-0.32,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.257 -0.730 -7.968 1.00 0.00 N ATOM 82 CA THR A 8 15.130 -0.215 -9.004 1.00 0.00 C ATOM 83 C THR A 8 16.519 -0.842 -8.866 1.00 0.00 C ATOM 84 O THR A 8 16.990 -1.071 -7.758 1.00 0.00 O ATOM 85 CB THR A 8 15.237 1.321 -8.904 1.00 0.00 C ATOM 86 OG1 THR A 8 13.959 1.881 -8.567 1.00 0.00 O ATOM 87 CG2 THR A 8 15.714 1.946 -10.205 1.00 0.00 C ATOM 0 HA THR A 8 14.711 -0.473 -9.977 1.00 0.00 H new ATOM 0 HB THR A 8 15.969 1.541 -8.127 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.430 1.217 -8.078 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.774 3.028 -10.088 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.699 1.553 -10.458 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.011 1.706 -11.003 1.00 0.00 H new ATOM 95 N PRO A 9 17.181 -1.152 -9.984 1.00 0.00 N ATOM 96 CA PRO A 9 18.529 -1.720 -9.965 1.00 0.00 C ATOM 97 C PRO A 9 19.606 -0.669 -9.693 1.00 0.00 C ATOM 98 O PRO A 9 20.765 -1.004 -9.461 1.00 0.00 O ATOM 99 CB PRO A 9 18.683 -2.291 -11.374 1.00 0.00 C ATOM 100 CG PRO A 9 17.808 -1.435 -12.225 1.00 0.00 C ATOM 101 CD PRO A 9 16.662 -0.994 -11.350 1.00 0.00 C ATOM 0 HA PRO A 9 18.651 -2.456 -9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.720 -2.251 -11.706 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.375 -3.336 -11.414 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.359 -0.575 -12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.445 -1.990 -13.090 1.00 0.00 H new ATOM 0 HD2 PRO A 9 16.378 0.039 -11.553 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.775 -1.606 -11.514 1.00 0.00 H new ATOM 109 N TRP A 10 19.214 0.605 -9.715 1.00 0.00 N ATOM 110 CA TRP A 10 20.173 1.698 -9.571 1.00 0.00 C ATOM 111 C TRP A 10 20.156 2.279 -8.156 1.00 0.00 C ATOM 112 O TRP A 10 20.964 3.148 -7.830 1.00 0.00 O ATOM 113 CB TRP A 10 19.867 2.830 -10.560 1.00 0.00 C ATOM 114 CG TRP A 10 19.492 2.391 -11.945 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.436 2.856 -12.673 1.00 0.00 C ATOM 116 CD2 TRP A 10 20.150 1.417 -12.770 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.397 2.240 -13.899 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.435 1.350 -13.982 1.00 0.00 C ATOM 119 CE3 TRP A 10 21.269 0.594 -12.602 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.805 0.499 -15.020 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.635 -0.249 -13.634 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.903 -0.293 -14.828 1.00 0.00 C ATOM 0 H TRP A 10 18.245 0.903 -9.830 1.00 0.00 H new ATOM 0 HA TRP A 10 21.157 1.278 -9.777 1.00 0.00 H new ATOM 0 HB2 TRP A 10 19.054 3.433 -10.156 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.741 3.478 -10.627 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.732 3.601 -12.334 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.707 2.416 -14.629 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.836 0.617 -11.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.245 0.466 -15.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.500 -0.885 -13.518 1.00 0.00 H new ATOM 0 HH2 TRP A 10 21.213 -0.967 -15.613 1.00 0.00 H new ATOM 133 N THR A 11 19.237 1.812 -7.316 1.00 0.00 N ATOM 134 CA THR A 11 19.084 2.373 -5.982 1.00 0.00 C ATOM 135 C THR A 11 20.175 1.890 -5.030 1.00 0.00 C ATOM 136 O THR A 11 20.299 2.387 -3.912 1.00 0.00 O ATOM 137 CB THR A 11 17.699 2.046 -5.399 1.00 0.00 C ATOM 138 OG1 THR A 11 17.254 0.774 -5.879 1.00 0.00 O ATOM 139 CG2 THR A 11 16.684 3.118 -5.767 1.00 0.00 C ATOM 0 H THR A 11 18.593 1.052 -7.535 1.00 0.00 H new ATOM 0 HA THR A 11 19.179 3.454 -6.084 1.00 0.00 H new ATOM 0 HB THR A 11 17.787 2.014 -4.313 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.005 0.145 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.714 2.862 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.011 4.080 -5.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.599 3.182 -6.852 1.00 0.00 H new ATOM 147 N ASN A 12 20.961 0.917 -5.466 1.00 0.00 N ATOM 148 CA ASN A 12 22.099 0.470 -4.683 1.00 0.00 C ATOM 149 C ASN A 12 23.289 0.236 -5.589 1.00 0.00 C ATOM 150 O ASN A 12 23.170 -0.372 -6.653 1.00 0.00 O ATOM 151 CB ASN A 12 21.768 -0.799 -3.902 1.00 0.00 C ATOM 152 CG ASN A 12 22.894 -1.272 -2.998 1.00 0.00 C ATOM 153 OD1 ASN A 12 23.731 -2.073 -3.403 1.00 0.00 O ATOM 154 ND2 ASN A 12 22.918 -0.792 -1.764 1.00 0.00 N ATOM 0 H ASN A 12 20.832 0.426 -6.351 1.00 0.00 H new ATOM 0 HA ASN A 12 22.346 1.250 -3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 12 20.879 -0.621 -3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 12 21.521 -1.594 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 12 23.649 -1.087 -1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.206 -0.127 -1.461 1.00 0.00 H new ATOM 161 N PRO A 13 24.451 0.712 -5.160 1.00 0.00 N ATOM 162 CA PRO A 13 25.681 0.630 -5.941 1.00 0.00 C ATOM 163 C PRO A 13 26.116 -0.816 -6.148 1.00 0.00 C ATOM 164 O PRO A 13 26.574 -1.191 -7.228 1.00 0.00 O ATOM 165 CB PRO A 13 26.703 1.401 -5.101 1.00 0.00 C ATOM 166 CG PRO A 13 26.129 1.470 -3.723 1.00 0.00 C ATOM 167 CD PRO A 13 24.643 1.351 -3.854 1.00 0.00 C ATOM 0 HA PRO A 13 25.565 1.041 -6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.668 0.894 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.869 2.399 -5.506 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.525 0.668 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.398 2.410 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.218 0.750 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.159 2.327 -3.812 1.00 0.00 H new ATOM 175 N GLY A 14 25.940 -1.624 -5.107 1.00 0.00 N ATOM 176 CA GLY A 14 26.234 -3.037 -5.193 1.00 0.00 C ATOM 177 C GLY A 14 25.295 -3.752 -6.134 1.00 0.00 C ATOM 178 O GLY A 14 25.687 -4.684 -6.833 1.00 0.00 O ATOM 0 H GLY A 14 25.595 -1.318 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.261 -3.174 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.163 -3.483 -4.201 1.00 0.00 H new ATOM 182 N LEU A 15 24.049 -3.306 -6.159 1.00 0.00 N ATOM 183 CA LEU A 15 23.046 -3.915 -7.014 1.00 0.00 C ATOM 184 C LEU A 15 23.340 -3.597 -8.473 1.00 0.00 C ATOM 185 O LEU A 15 23.223 -4.460 -9.339 1.00 0.00 O ATOM 186 CB LEU A 15 21.642 -3.431 -6.628 1.00 0.00 C ATOM 187 CG LEU A 15 20.488 -4.104 -7.379 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.559 -5.617 -7.235 1.00 0.00 C ATOM 189 CD2 LEU A 15 19.147 -3.590 -6.874 1.00 0.00 C ATOM 0 H LEU A 15 23.710 -2.525 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 15 23.081 -4.996 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.501 -3.592 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.587 -2.356 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 15 20.582 -3.853 -8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.730 -6.073 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.502 -5.978 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.495 -5.886 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.341 -4.080 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.051 -3.809 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.088 -2.513 -7.030 1.00 0.00 H new ATOM 201 N ALA A 16 23.752 -2.363 -8.732 1.00 0.00 N ATOM 202 CA ALA A 16 24.071 -1.925 -10.083 1.00 0.00 C ATOM 203 C ALA A 16 25.219 -2.735 -10.682 1.00 0.00 C ATOM 204 O ALA A 16 25.113 -3.244 -11.801 1.00 0.00 O ATOM 205 CB ALA A 16 24.416 -0.447 -10.086 1.00 0.00 C ATOM 0 H ALA A 16 23.873 -1.644 -8.019 1.00 0.00 H new ATOM 0 HA ALA A 16 23.190 -2.090 -10.702 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.653 -0.131 -11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.565 0.126 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.278 -0.273 -9.442 1.00 0.00 H new ATOM 211 N GLU A 17 26.310 -2.863 -9.934 1.00 0.00 N ATOM 212 CA GLU A 17 27.480 -3.573 -10.418 1.00 0.00 C ATOM 213 C GLU A 17 27.207 -5.072 -10.544 1.00 0.00 C ATOM 214 O GLU A 17 27.714 -5.726 -11.456 1.00 0.00 O ATOM 215 CB GLU A 17 28.674 -3.312 -9.500 1.00 0.00 C ATOM 216 CG GLU A 17 28.431 -3.653 -8.042 1.00 0.00 C ATOM 217 CD GLU A 17 29.631 -3.354 -7.170 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.577 -4.173 -7.153 1.00 0.00 O ATOM 219 OE2 GLU A 17 29.644 -2.298 -6.503 1.00 0.00 O ATOM 0 H GLU A 17 26.405 -2.484 -8.992 1.00 0.00 H new ATOM 0 HA GLU A 17 27.718 -3.198 -11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.525 -3.890 -9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.950 -2.260 -9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 17 27.572 -3.089 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.178 -4.710 -7.957 1.00 0.00 H new ATOM 226 N ASN A 18 26.397 -5.607 -9.640 1.00 0.00 N ATOM 227 CA ASN A 18 26.036 -7.015 -9.677 1.00 0.00 C ATOM 228 C ASN A 18 25.067 -7.300 -10.817 1.00 0.00 C ATOM 229 O ASN A 18 25.135 -8.356 -11.449 1.00 0.00 O ATOM 230 CB ASN A 18 25.422 -7.444 -8.346 1.00 0.00 C ATOM 231 CG ASN A 18 26.472 -7.801 -7.310 1.00 0.00 C ATOM 232 OD1 ASN A 18 27.554 -8.277 -7.648 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.161 -7.575 -6.045 1.00 0.00 N ATOM 0 H ASN A 18 25.977 -5.084 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 18 26.945 -7.591 -9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.796 -6.638 -7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.771 -8.303 -8.510 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.830 -7.797 -5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.252 -7.179 -5.806 1.00 0.00 H new ATOM 240 N PHE A 19 24.173 -6.352 -11.079 1.00 0.00 N ATOM 241 CA PHE A 19 23.210 -6.485 -12.164 1.00 0.00 C ATOM 242 C PHE A 19 23.935 -6.589 -13.497 1.00 0.00 C ATOM 243 O PHE A 19 23.655 -7.482 -14.289 1.00 0.00 O ATOM 244 CB PHE A 19 22.238 -5.298 -12.186 1.00 0.00 C ATOM 245 CG PHE A 19 21.154 -5.420 -13.221 1.00 0.00 C ATOM 246 CD1 PHE A 19 20.163 -6.379 -13.089 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.122 -4.579 -14.326 1.00 0.00 C ATOM 248 CE1 PHE A 19 19.164 -6.497 -14.033 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.121 -4.695 -15.274 1.00 0.00 C ATOM 250 CZ PHE A 19 19.144 -5.655 -15.125 1.00 0.00 C ATOM 0 H PHE A 19 24.096 -5.482 -10.553 1.00 0.00 H new ATOM 0 HA PHE A 19 22.634 -7.395 -11.997 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.779 -5.198 -11.203 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.801 -4.383 -12.369 1.00 0.00 H new ATOM 0 HD1 PHE A 19 20.173 -7.042 -12.237 1.00 0.00 H new ATOM 0 HD2 PHE A 19 21.887 -3.826 -14.446 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.397 -7.249 -13.917 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.105 -4.035 -16.129 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.362 -5.748 -15.864 1.00 0.00 H new ATOM 260 N MET A 20 24.883 -5.684 -13.724 1.00 0.00 N ATOM 261 CA MET A 20 25.649 -5.665 -14.968 1.00 0.00 C ATOM 262 C MET A 20 26.486 -6.928 -15.115 1.00 0.00 C ATOM 263 O MET A 20 26.647 -7.450 -16.217 1.00 0.00 O ATOM 264 CB MET A 20 26.556 -4.431 -15.025 1.00 0.00 C ATOM 265 CG MET A 20 25.799 -3.115 -15.046 1.00 0.00 C ATOM 266 SD MET A 20 24.725 -2.957 -16.484 1.00 0.00 S ATOM 267 CE MET A 20 24.061 -1.316 -16.223 1.00 0.00 C ATOM 0 H MET A 20 25.140 -4.952 -13.061 1.00 0.00 H new ATOM 0 HA MET A 20 24.939 -5.622 -15.794 1.00 0.00 H new ATOM 0 HB2 MET A 20 27.223 -4.442 -14.163 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.183 -4.493 -15.914 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.201 -3.030 -14.139 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.511 -2.290 -15.037 1.00 0.00 H new ATOM 0 HE1 MET A 20 23.012 -1.297 -16.519 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.146 -1.053 -15.169 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.620 -0.598 -16.822 1.00 0.00 H new ATOM 277 N ASN A 21 27.008 -7.425 -14.000 1.00 0.00 N ATOM 278 CA ASN A 21 27.793 -8.645 -14.010 1.00 0.00 C ATOM 279 C ASN A 21 26.950 -9.820 -14.487 1.00 0.00 C ATOM 280 O ASN A 21 27.319 -10.520 -15.431 1.00 0.00 O ATOM 281 CB ASN A 21 28.345 -8.929 -12.617 1.00 0.00 C ATOM 282 CG ASN A 21 29.791 -8.502 -12.466 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.707 -9.271 -12.749 1.00 0.00 O ATOM 284 ND2 ASN A 21 30.010 -7.277 -12.013 1.00 0.00 N ATOM 0 H ASN A 21 26.900 -6.999 -13.079 1.00 0.00 H new ATOM 0 HA ASN A 21 28.626 -8.512 -14.700 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.737 -8.409 -11.876 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.261 -9.995 -12.407 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.966 -6.943 -11.888 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.223 -6.668 -11.789 1.00 0.00 H new ATOM 291 N SER A 22 25.804 -10.010 -13.847 1.00 0.00 N ATOM 292 CA SER A 22 24.895 -11.084 -14.212 1.00 0.00 C ATOM 293 C SER A 22 24.315 -10.833 -15.605 1.00 0.00 C ATOM 294 O SER A 22 24.087 -11.771 -16.372 1.00 0.00 O ATOM 295 CB SER A 22 23.779 -11.201 -13.167 1.00 0.00 C ATOM 296 OG SER A 22 22.980 -12.351 -13.386 1.00 0.00 O ATOM 0 H SER A 22 25.483 -9.432 -13.071 1.00 0.00 H new ATOM 0 HA SER A 22 25.444 -12.026 -14.237 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.216 -11.245 -12.170 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.153 -10.310 -13.201 1.00 0.00 H new ATOM 0 HG SER A 22 22.894 -12.854 -12.549 1.00 0.00 H new ATOM 302 N PHE A 23 24.103 -9.559 -15.932 1.00 0.00 N ATOM 303 CA PHE A 23 23.601 -9.166 -17.245 1.00 0.00 C ATOM 304 C PHE A 23 24.525 -9.663 -18.346 1.00 0.00 C ATOM 305 O PHE A 23 24.076 -10.283 -19.305 1.00 0.00 O ATOM 306 CB PHE A 23 23.459 -7.644 -17.331 1.00 0.00 C ATOM 307 CG PHE A 23 23.085 -7.144 -18.700 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.862 -7.466 -19.260 1.00 0.00 C ATOM 309 CD2 PHE A 23 23.964 -6.354 -19.425 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.519 -7.011 -20.519 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.627 -5.895 -20.684 1.00 0.00 C ATOM 312 CZ PHE A 23 22.403 -6.223 -21.232 1.00 0.00 C ATOM 0 H PHE A 23 24.273 -8.777 -15.299 1.00 0.00 H new ATOM 0 HA PHE A 23 22.620 -9.621 -17.381 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.703 -7.318 -16.617 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.400 -7.183 -17.031 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.167 -8.080 -18.707 1.00 0.00 H new ATOM 0 HD2 PHE A 23 24.923 -6.094 -19.001 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.561 -7.271 -20.945 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.320 -5.280 -21.239 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.137 -5.865 -22.215 1.00 0.00 H new ATOM 322 N MET A 24 25.817 -9.399 -18.198 1.00 0.00 N ATOM 323 CA MET A 24 26.798 -9.812 -19.192 1.00 0.00 C ATOM 324 C MET A 24 26.867 -11.333 -19.285 1.00 0.00 C ATOM 325 O MET A 24 27.016 -11.886 -20.372 1.00 0.00 O ATOM 326 CB MET A 24 28.187 -9.253 -18.855 1.00 0.00 C ATOM 327 CG MET A 24 28.292 -7.732 -18.913 1.00 0.00 C ATOM 328 SD MET A 24 28.806 -7.103 -20.529 1.00 0.00 S ATOM 329 CE MET A 24 27.373 -7.456 -21.541 1.00 0.00 C ATOM 0 H MET A 24 26.209 -8.901 -17.399 1.00 0.00 H new ATOM 0 HA MET A 24 26.481 -9.412 -20.155 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.465 -9.585 -17.855 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.913 -9.681 -19.546 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.326 -7.299 -18.655 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.003 -7.396 -18.159 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.327 -6.746 -22.366 1.00 0.00 H new ATOM 0 HE2 MET A 24 27.448 -8.469 -21.937 1.00 0.00 H new ATOM 0 HE3 MET A 24 26.470 -7.369 -20.936 1.00 0.00 H new ATOM 339 N GLN A 25 26.754 -12.005 -18.142 1.00 0.00 N ATOM 340 CA GLN A 25 26.774 -13.463 -18.103 1.00 0.00 C ATOM 341 C GLN A 25 25.572 -14.053 -18.832 1.00 0.00 C ATOM 342 O GLN A 25 25.681 -15.085 -19.490 1.00 0.00 O ATOM 343 CB GLN A 25 26.808 -13.950 -16.657 1.00 0.00 C ATOM 344 CG GLN A 25 28.105 -13.614 -15.944 1.00 0.00 C ATOM 345 CD GLN A 25 29.305 -14.293 -16.579 1.00 0.00 C ATOM 346 OE1 GLN A 25 29.959 -13.732 -17.462 1.00 0.00 O ATOM 347 NE2 GLN A 25 29.600 -15.504 -16.141 1.00 0.00 N ATOM 0 H GLN A 25 26.648 -11.561 -17.230 1.00 0.00 H new ATOM 0 HA GLN A 25 27.675 -13.802 -18.614 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.975 -13.506 -16.111 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.661 -15.030 -16.640 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.254 -12.534 -15.955 1.00 0.00 H new ATOM 0 HG3 GLN A 25 28.031 -13.915 -14.899 1.00 0.00 H new ATOM 0 HE21 GLN A 25 29.034 -15.933 -15.409 1.00 0.00 H new ATOM 0 HE22 GLN A 25 30.394 -16.009 -16.535 1.00 0.00 H new ATOM 356 N GLY A 26 24.430 -13.396 -18.715 1.00 0.00 N ATOM 357 CA GLY A 26 23.257 -13.834 -19.443 1.00 0.00 C ATOM 358 C GLY A 26 23.314 -13.428 -20.903 1.00 0.00 C ATOM 359 O GLY A 26 22.894 -14.178 -21.783 1.00 0.00 O ATOM 0 H GLY A 26 24.293 -12.570 -18.132 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.169 -14.918 -19.371 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.365 -13.410 -18.983 1.00 0.00 H new ATOM 363 N LEU A 27 23.865 -12.245 -21.155 1.00 0.00 N ATOM 364 CA LEU A 27 23.930 -11.696 -22.500 1.00 0.00 C ATOM 365 C LEU A 27 24.940 -12.447 -23.360 1.00 0.00 C ATOM 366 O LEU A 27 24.786 -12.532 -24.575 1.00 0.00 O ATOM 367 CB LEU A 27 24.306 -10.220 -22.459 1.00 0.00 C ATOM 368 CG LEU A 27 23.871 -9.424 -23.683 1.00 0.00 C ATOM 369 CD1 LEU A 27 22.382 -9.146 -23.620 1.00 0.00 C ATOM 370 CD2 LEU A 27 24.652 -8.134 -23.791 1.00 0.00 C ATOM 0 H LEU A 27 24.275 -11.646 -20.438 1.00 0.00 H new ATOM 0 HA LEU A 27 22.941 -11.809 -22.944 1.00 0.00 H new ATOM 0 HB2 LEU A 27 23.862 -9.769 -21.571 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.388 -10.136 -22.352 1.00 0.00 H new ATOM 0 HG LEU A 27 24.078 -10.016 -24.574 1.00 0.00 H new ATOM 0 HD11 LEU A 27 22.081 -8.577 -24.499 1.00 0.00 H new ATOM 0 HD12 LEU A 27 21.837 -10.089 -23.594 1.00 0.00 H new ATOM 0 HD13 LEU A 27 22.157 -8.572 -22.721 1.00 0.00 H new ATOM 0 HD21 LEU A 27 24.324 -7.583 -24.672 1.00 0.00 H new ATOM 0 HD22 LEU A 27 24.481 -7.529 -22.900 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.715 -8.358 -23.878 1.00 0.00 H new ATOM 382 N SER A 28 25.975 -12.992 -22.731 1.00 0.00 N ATOM 383 CA SER A 28 26.978 -13.759 -23.446 1.00 0.00 C ATOM 384 C SER A 28 26.401 -15.091 -23.919 1.00 0.00 C ATOM 385 O SER A 28 27.000 -15.786 -24.739 1.00 0.00 O ATOM 386 CB SER A 28 28.198 -13.976 -22.554 1.00 0.00 C ATOM 387 OG SER A 28 27.815 -14.323 -21.235 1.00 0.00 O ATOM 0 H SER A 28 26.138 -12.915 -21.727 1.00 0.00 H new ATOM 0 HA SER A 28 27.289 -13.200 -24.329 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.822 -14.765 -22.973 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.802 -13.069 -22.533 1.00 0.00 H new ATOM 0 HG SER A 28 27.628 -13.508 -20.724 1.00 0.00 H new ATOM 393 N SER A 29 25.226 -15.435 -23.405 1.00 0.00 N ATOM 394 CA SER A 29 24.508 -16.610 -23.856 1.00 0.00 C ATOM 395 C SER A 29 23.520 -16.224 -24.957 1.00 0.00 C ATOM 396 O SER A 29 22.774 -17.060 -25.464 1.00 0.00 O ATOM 397 CB SER A 29 23.770 -17.251 -22.681 1.00 0.00 C ATOM 398 OG SER A 29 24.658 -17.520 -21.606 1.00 0.00 O ATOM 0 H SER A 29 24.752 -14.909 -22.671 1.00 0.00 H new ATOM 0 HA SER A 29 25.218 -17.332 -24.259 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.974 -16.588 -22.342 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.297 -18.177 -23.006 1.00 0.00 H new ATOM 0 HG SER A 29 24.162 -17.928 -20.866 1.00 0.00 H new ATOM 404 N MET A 30 23.520 -14.943 -25.317 1.00 0.00 N ATOM 405 CA MET A 30 22.619 -14.432 -26.332 1.00 0.00 C ATOM 406 C MET A 30 23.359 -14.248 -27.653 1.00 0.00 C ATOM 407 O MET A 30 24.260 -13.418 -27.752 1.00 0.00 O ATOM 408 CB MET A 30 22.031 -13.096 -25.879 1.00 0.00 C ATOM 409 CG MET A 30 21.308 -13.152 -24.539 1.00 0.00 C ATOM 410 SD MET A 30 19.808 -14.152 -24.581 1.00 0.00 S ATOM 411 CE MET A 30 19.204 -13.914 -22.909 1.00 0.00 C ATOM 0 H MET A 30 24.140 -14.240 -24.915 1.00 0.00 H new ATOM 0 HA MET A 30 21.812 -15.150 -26.478 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.834 -12.362 -25.815 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.335 -12.742 -26.640 1.00 0.00 H new ATOM 0 HG2 MET A 30 21.984 -13.555 -23.785 1.00 0.00 H new ATOM 0 HG3 MET A 30 21.053 -12.139 -24.229 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.268 -14.457 -22.780 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.941 -14.288 -22.199 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.035 -12.852 -22.731 1.00 0.00 H new ATOM 421 N PRO A 31 22.987 -15.017 -28.693 1.00 0.00 N ATOM 422 CA PRO A 31 23.604 -14.920 -30.025 1.00 0.00 C ATOM 423 C PRO A 31 23.269 -13.616 -30.736 1.00 0.00 C ATOM 424 O PRO A 31 23.716 -13.358 -31.852 1.00 0.00 O ATOM 425 CB PRO A 31 23.001 -16.092 -30.800 1.00 0.00 C ATOM 426 CG PRO A 31 22.354 -16.966 -29.779 1.00 0.00 C ATOM 427 CD PRO A 31 21.955 -16.061 -28.654 1.00 0.00 C ATOM 0 HA PRO A 31 24.691 -14.945 -29.953 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.274 -15.743 -31.533 1.00 0.00 H new ATOM 0 HB3 PRO A 31 23.771 -16.635 -31.348 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.486 -17.476 -30.196 1.00 0.00 H new ATOM 0 HG3 PRO A 31 23.042 -17.738 -29.434 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.957 -15.649 -28.802 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.945 -16.584 -27.698 1.00 0.00 H new ATOM 435 N GLY A 32 22.463 -12.819 -30.073 1.00 0.00 N ATOM 436 CA GLY A 32 22.027 -11.548 -30.620 1.00 0.00 C ATOM 437 C GLY A 32 23.150 -10.534 -30.724 1.00 0.00 C ATOM 438 O GLY A 32 23.118 -9.649 -31.582 1.00 0.00 O ATOM 0 H GLY A 32 22.092 -13.028 -29.146 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.599 -11.711 -31.609 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.234 -11.141 -29.993 1.00 0.00 H new ATOM 442 N PHE A 33 24.141 -10.659 -29.853 1.00 0.00 N ATOM 443 CA PHE A 33 25.261 -9.725 -29.827 1.00 0.00 C ATOM 444 C PHE A 33 26.574 -10.442 -30.115 1.00 0.00 C ATOM 445 O PHE A 33 26.652 -11.668 -30.056 1.00 0.00 O ATOM 446 CB PHE A 33 25.341 -9.012 -28.474 1.00 0.00 C ATOM 447 CG PHE A 33 24.228 -8.033 -28.236 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.294 -6.756 -28.770 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.123 -8.383 -27.479 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.279 -5.847 -28.557 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.103 -7.477 -27.260 1.00 0.00 C ATOM 452 CZ PHE A 33 22.182 -6.207 -27.800 1.00 0.00 C ATOM 0 H PHE A 33 24.194 -11.399 -29.153 1.00 0.00 H new ATOM 0 HA PHE A 33 25.093 -8.982 -30.606 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.331 -9.758 -27.680 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.294 -8.487 -28.407 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.151 -6.469 -29.361 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.058 -9.374 -27.055 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.342 -4.856 -28.981 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.245 -7.761 -26.668 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.386 -5.497 -27.630 1.00 0.00 H new ATOM 462 N THR A 34 27.598 -9.663 -30.437 1.00 0.00 N ATOM 463 CA THR A 34 28.924 -10.203 -30.691 1.00 0.00 C ATOM 464 C THR A 34 29.897 -9.741 -29.608 1.00 0.00 C ATOM 465 O THR A 34 29.569 -8.860 -28.808 1.00 0.00 O ATOM 466 CB THR A 34 29.443 -9.796 -32.090 1.00 0.00 C ATOM 467 OG1 THR A 34 30.753 -10.337 -32.315 1.00 0.00 O ATOM 468 CG2 THR A 34 29.483 -8.284 -32.247 1.00 0.00 C ATOM 0 H THR A 34 27.533 -8.649 -30.528 1.00 0.00 H new ATOM 0 HA THR A 34 28.854 -11.290 -30.667 1.00 0.00 H new ATOM 0 HB THR A 34 28.751 -10.202 -32.828 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.068 -10.073 -33.205 1.00 0.00 H new ATOM 0 HG21 THR A 34 29.852 -8.031 -33.241 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.480 -7.878 -32.118 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.146 -7.857 -31.494 1.00 0.00 H new ATOM 476 N ALA A 35 31.092 -10.325 -29.601 1.00 0.00 N ATOM 477 CA ALA A 35 32.088 -10.064 -28.565 1.00 0.00 C ATOM 478 C ALA A 35 32.435 -8.583 -28.472 1.00 0.00 C ATOM 479 O ALA A 35 32.612 -8.048 -27.378 1.00 0.00 O ATOM 480 CB ALA A 35 33.344 -10.879 -28.829 1.00 0.00 C ATOM 0 H ALA A 35 31.397 -10.991 -30.311 1.00 0.00 H new ATOM 0 HA ALA A 35 31.656 -10.363 -27.610 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.080 -10.676 -28.050 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.096 -11.940 -28.827 1.00 0.00 H new ATOM 0 HB3 ALA A 35 33.758 -10.605 -29.799 1.00 0.00 H new ATOM 486 N SER A 36 32.522 -7.923 -29.619 1.00 0.00 N ATOM 487 CA SER A 36 32.851 -6.504 -29.656 1.00 0.00 C ATOM 488 C SER A 36 31.744 -5.681 -29.002 1.00 0.00 C ATOM 489 O SER A 36 32.010 -4.775 -28.215 1.00 0.00 O ATOM 490 CB SER A 36 33.067 -6.054 -31.100 1.00 0.00 C ATOM 491 OG SER A 36 34.061 -6.851 -31.730 1.00 0.00 O ATOM 0 H SER A 36 32.370 -8.346 -30.535 1.00 0.00 H new ATOM 0 HA SER A 36 33.773 -6.344 -29.097 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.131 -6.127 -31.653 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.368 -5.006 -31.119 1.00 0.00 H new ATOM 0 HG SER A 36 34.185 -6.550 -32.654 1.00 0.00 H new ATOM 497 N GLN A 37 30.501 -6.030 -29.309 1.00 0.00 N ATOM 498 CA GLN A 37 29.353 -5.334 -28.751 1.00 0.00 C ATOM 499 C GLN A 37 29.258 -5.553 -27.245 1.00 0.00 C ATOM 500 O GLN A 37 28.866 -4.651 -26.507 1.00 0.00 O ATOM 501 CB GLN A 37 28.074 -5.792 -29.450 1.00 0.00 C ATOM 502 CG GLN A 37 27.886 -5.148 -30.813 1.00 0.00 C ATOM 503 CD GLN A 37 26.941 -5.911 -31.720 1.00 0.00 C ATOM 504 OE1 GLN A 37 26.027 -6.595 -31.265 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.160 -5.797 -33.018 1.00 0.00 N ATOM 0 H GLN A 37 30.264 -6.793 -29.943 1.00 0.00 H new ATOM 0 HA GLN A 37 29.480 -4.265 -28.921 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.096 -6.876 -29.565 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.216 -5.556 -28.820 1.00 0.00 H new ATOM 0 HG2 GLN A 37 27.507 -4.135 -30.678 1.00 0.00 H new ATOM 0 HG3 GLN A 37 28.856 -5.063 -31.302 1.00 0.00 H new ATOM 0 HE21 GLN A 37 27.929 -5.219 -33.357 1.00 0.00 H new ATOM 0 HE22 GLN A 37 26.560 -6.287 -33.681 1.00 0.00 H new ATOM 514 N LEU A 38 29.635 -6.745 -26.796 1.00 0.00 N ATOM 515 CA LEU A 38 29.648 -7.059 -25.372 1.00 0.00 C ATOM 516 C LEU A 38 30.663 -6.185 -24.641 1.00 0.00 C ATOM 517 O LEU A 38 30.368 -5.623 -23.585 1.00 0.00 O ATOM 518 CB LEU A 38 29.992 -8.536 -25.148 1.00 0.00 C ATOM 519 CG LEU A 38 29.050 -9.546 -25.810 1.00 0.00 C ATOM 520 CD1 LEU A 38 29.536 -10.963 -25.554 1.00 0.00 C ATOM 521 CD2 LEU A 38 27.629 -9.367 -25.300 1.00 0.00 C ATOM 0 H LEU A 38 29.936 -7.511 -27.399 1.00 0.00 H new ATOM 0 HA LEU A 38 28.652 -6.861 -24.975 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.002 -8.714 -25.516 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.005 -8.728 -24.075 1.00 0.00 H new ATOM 0 HG LEU A 38 29.050 -9.368 -26.885 1.00 0.00 H new ATOM 0 HD11 LEU A 38 28.858 -11.672 -26.030 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.537 -11.085 -25.968 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.562 -11.150 -24.481 1.00 0.00 H new ATOM 0 HD21 LEU A 38 26.975 -10.094 -25.782 1.00 0.00 H new ATOM 0 HD22 LEU A 38 27.608 -9.520 -24.221 1.00 0.00 H new ATOM 0 HD23 LEU A 38 27.284 -8.359 -25.531 1.00 0.00 H new ATOM 533 N ASP A 39 31.851 -6.064 -25.223 1.00 0.00 N ATOM 534 CA ASP A 39 32.938 -5.300 -24.614 1.00 0.00 C ATOM 535 C ASP A 39 32.559 -3.830 -24.464 1.00 0.00 C ATOM 536 O ASP A 39 32.730 -3.234 -23.395 1.00 0.00 O ATOM 537 CB ASP A 39 34.210 -5.429 -25.450 1.00 0.00 C ATOM 538 CG ASP A 39 35.426 -4.848 -24.757 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.631 -3.617 -24.827 1.00 0.00 O ATOM 540 OD2 ASP A 39 36.191 -5.622 -24.143 1.00 0.00 O ATOM 0 H ASP A 39 32.088 -6.487 -26.120 1.00 0.00 H new ATOM 0 HA ASP A 39 33.121 -5.709 -23.620 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.390 -6.481 -25.670 1.00 0.00 H new ATOM 0 HB3 ASP A 39 34.065 -4.924 -26.405 1.00 0.00 H new ATOM 545 N ASP A 40 32.022 -3.250 -25.531 1.00 0.00 N ATOM 546 CA ASP A 40 31.612 -1.853 -25.520 1.00 0.00 C ATOM 547 C ASP A 40 30.450 -1.643 -24.563 1.00 0.00 C ATOM 548 O ASP A 40 30.403 -0.651 -23.836 1.00 0.00 O ATOM 549 CB ASP A 40 31.230 -1.396 -26.927 1.00 0.00 C ATOM 550 CG ASP A 40 32.430 -0.955 -27.744 1.00 0.00 C ATOM 551 OD1 ASP A 40 32.855 0.212 -27.599 1.00 0.00 O ATOM 552 OD2 ASP A 40 32.955 -1.771 -28.530 1.00 0.00 O ATOM 0 H ASP A 40 31.860 -3.729 -26.417 1.00 0.00 H new ATOM 0 HA ASP A 40 32.454 -1.253 -25.177 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.723 -2.210 -27.444 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.520 -0.572 -26.857 1.00 0.00 H new ATOM 557 N MET A 41 29.529 -2.597 -24.544 1.00 0.00 N ATOM 558 CA MET A 41 28.370 -2.517 -23.677 1.00 0.00 C ATOM 559 C MET A 41 28.791 -2.575 -22.215 1.00 0.00 C ATOM 560 O MET A 41 28.261 -1.844 -21.382 1.00 0.00 O ATOM 561 CB MET A 41 27.395 -3.644 -24.005 1.00 0.00 C ATOM 562 CG MET A 41 26.054 -3.496 -23.315 1.00 0.00 C ATOM 563 SD MET A 41 24.804 -4.628 -23.956 1.00 0.00 S ATOM 564 CE MET A 41 24.663 -4.053 -25.648 1.00 0.00 C ATOM 0 H MET A 41 29.566 -3.436 -25.122 1.00 0.00 H new ATOM 0 HA MET A 41 27.869 -1.564 -23.846 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.239 -3.678 -25.083 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.841 -4.596 -23.717 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.180 -3.670 -22.246 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.702 -2.471 -23.432 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.673 -4.296 -26.034 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.809 -2.973 -25.679 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.421 -4.540 -26.262 1.00 0.00 H new ATOM 574 N SER A 42 29.761 -3.429 -21.916 1.00 0.00 N ATOM 575 CA SER A 42 30.322 -3.517 -20.574 1.00 0.00 C ATOM 576 C SER A 42 30.959 -2.185 -20.183 1.00 0.00 C ATOM 577 O SER A 42 30.863 -1.748 -19.035 1.00 0.00 O ATOM 578 CB SER A 42 31.359 -4.644 -20.510 1.00 0.00 C ATOM 579 OG SER A 42 31.861 -4.814 -19.194 1.00 0.00 O ATOM 0 H SER A 42 30.177 -4.073 -22.588 1.00 0.00 H new ATOM 0 HA SER A 42 29.521 -3.740 -19.869 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.907 -5.575 -20.851 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.182 -4.421 -21.189 1.00 0.00 H new ATOM 0 HG SER A 42 32.519 -5.541 -19.186 1.00 0.00 H new ATOM 585 N THR A 43 31.583 -1.534 -21.157 1.00 0.00 N ATOM 586 CA THR A 43 32.232 -0.252 -20.935 1.00 0.00 C ATOM 587 C THR A 43 31.200 0.833 -20.630 1.00 0.00 C ATOM 588 O THR A 43 31.397 1.657 -19.735 1.00 0.00 O ATOM 589 CB THR A 43 33.081 0.148 -22.157 1.00 0.00 C ATOM 590 OG1 THR A 43 34.019 -0.899 -22.450 1.00 0.00 O ATOM 591 CG2 THR A 43 33.834 1.447 -21.907 1.00 0.00 C ATOM 0 H THR A 43 31.652 -1.878 -22.115 1.00 0.00 H new ATOM 0 HA THR A 43 32.891 -0.354 -20.073 1.00 0.00 H new ATOM 0 HB THR A 43 32.411 0.300 -23.003 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.537 -1.689 -22.772 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.423 1.701 -22.788 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.122 2.247 -21.703 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.497 1.324 -21.050 1.00 0.00 H new ATOM 599 N ILE A 44 30.087 0.817 -21.355 1.00 0.00 N ATOM 600 CA ILE A 44 29.010 1.765 -21.101 1.00 0.00 C ATOM 601 C ILE A 44 28.388 1.488 -19.736 1.00 0.00 C ATOM 602 O ILE A 44 28.030 2.410 -19.000 1.00 0.00 O ATOM 603 CB ILE A 44 27.905 1.698 -22.175 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.499 1.848 -23.579 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.863 2.777 -21.915 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.297 3.117 -23.774 1.00 0.00 C ATOM 0 H ILE A 44 29.908 0.163 -22.117 1.00 0.00 H new ATOM 0 HA ILE A 44 29.449 2.762 -21.129 1.00 0.00 H new ATOM 0 HB ILE A 44 27.423 0.722 -22.118 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.141 0.991 -23.785 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.690 1.823 -24.310 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.086 2.724 -22.677 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.418 2.624 -20.932 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.338 3.757 -21.949 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.685 3.150 -24.792 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.655 3.981 -23.602 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.128 3.136 -23.069 1.00 0.00 H new ATOM 618 N ALA A 45 28.280 0.206 -19.405 1.00 0.00 N ATOM 619 CA ALA A 45 27.771 -0.218 -18.110 1.00 0.00 C ATOM 620 C ALA A 45 28.609 0.373 -16.983 1.00 0.00 C ATOM 621 O ALA A 45 28.097 0.660 -15.899 1.00 0.00 O ATOM 622 CB ALA A 45 27.751 -1.736 -18.021 1.00 0.00 C ATOM 0 H ALA A 45 28.541 -0.562 -20.023 1.00 0.00 H new ATOM 0 HA ALA A 45 26.750 0.149 -18.004 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.368 -2.038 -17.046 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.108 -2.138 -18.804 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.763 -2.121 -18.148 1.00 0.00 H new ATOM 628 N GLN A 46 29.897 0.572 -17.252 1.00 0.00 N ATOM 629 CA GLN A 46 30.795 1.171 -16.275 1.00 0.00 C ATOM 630 C GLN A 46 30.371 2.602 -15.972 1.00 0.00 C ATOM 631 O GLN A 46 30.316 3.001 -14.810 1.00 0.00 O ATOM 632 CB GLN A 46 32.249 1.155 -16.763 1.00 0.00 C ATOM 633 CG GLN A 46 32.810 -0.237 -17.030 1.00 0.00 C ATOM 634 CD GLN A 46 32.576 -1.199 -15.881 1.00 0.00 C ATOM 635 OE1 GLN A 46 33.362 -1.263 -14.936 1.00 0.00 O ATOM 636 NE2 GLN A 46 31.511 -1.979 -15.972 1.00 0.00 N ATOM 0 H GLN A 46 30.339 0.327 -18.138 1.00 0.00 H new ATOM 0 HA GLN A 46 30.734 0.575 -15.365 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.318 1.743 -17.678 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.874 1.649 -16.019 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.353 -0.640 -17.933 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.880 -0.161 -17.221 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.884 -1.894 -16.772 1.00 0.00 H new ATOM 0 HE22 GLN A 46 31.317 -2.665 -15.242 1.00 0.00 H new ATOM 645 N SER A 47 30.038 3.359 -17.017 1.00 0.00 N ATOM 646 CA SER A 47 29.626 4.748 -16.854 1.00 0.00 C ATOM 647 C SER A 47 28.390 4.840 -15.962 1.00 0.00 C ATOM 648 O SER A 47 28.236 5.786 -15.187 1.00 0.00 O ATOM 649 CB SER A 47 29.343 5.380 -18.219 1.00 0.00 C ATOM 650 OG SER A 47 30.490 5.327 -19.055 1.00 0.00 O ATOM 0 H SER A 47 30.046 3.032 -17.983 1.00 0.00 H new ATOM 0 HA SER A 47 30.438 5.295 -16.375 1.00 0.00 H new ATOM 0 HB2 SER A 47 28.515 4.859 -18.699 1.00 0.00 H new ATOM 0 HB3 SER A 47 29.034 6.417 -18.086 1.00 0.00 H new ATOM 0 HG SER A 47 30.283 5.735 -19.921 1.00 0.00 H new ATOM 656 N MET A 48 27.522 3.841 -16.067 1.00 0.00 N ATOM 657 CA MET A 48 26.342 3.756 -15.230 1.00 0.00 C ATOM 658 C MET A 48 26.737 3.456 -13.784 1.00 0.00 C ATOM 659 O MET A 48 26.454 4.240 -12.878 1.00 0.00 O ATOM 660 CB MET A 48 25.409 2.666 -15.766 1.00 0.00 C ATOM 661 CG MET A 48 24.221 2.385 -14.866 1.00 0.00 C ATOM 662 SD MET A 48 23.012 3.723 -14.843 1.00 0.00 S ATOM 663 CE MET A 48 22.286 3.559 -16.473 1.00 0.00 C ATOM 0 H MET A 48 27.619 3.074 -16.732 1.00 0.00 H new ATOM 0 HA MET A 48 25.820 4.713 -15.251 1.00 0.00 H new ATOM 0 HB2 MET A 48 25.046 2.962 -16.750 1.00 0.00 H new ATOM 0 HB3 MET A 48 25.978 1.746 -15.900 1.00 0.00 H new ATOM 0 HG2 MET A 48 23.732 1.469 -15.197 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.577 2.208 -13.851 1.00 0.00 H new ATOM 0 HE1 MET A 48 22.659 4.353 -17.119 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.555 2.591 -16.895 1.00 0.00 H new ATOM 0 HE3 MET A 48 21.201 3.633 -16.397 1.00 0.00 H new ATOM 673 N VAL A 49 27.426 2.335 -13.588 1.00 0.00 N ATOM 674 CA VAL A 49 27.787 1.866 -12.254 1.00 0.00 C ATOM 675 C VAL A 49 28.624 2.893 -11.492 1.00 0.00 C ATOM 676 O VAL A 49 28.337 3.194 -10.335 1.00 0.00 O ATOM 677 CB VAL A 49 28.557 0.527 -12.318 1.00 0.00 C ATOM 678 CG1 VAL A 49 28.977 0.073 -10.927 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.712 -0.545 -12.989 1.00 0.00 C ATOM 0 H VAL A 49 27.748 1.730 -14.344 1.00 0.00 H new ATOM 0 HA VAL A 49 26.850 1.717 -11.718 1.00 0.00 H new ATOM 0 HB VAL A 49 29.457 0.685 -12.913 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.517 -0.871 -11.000 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.624 0.827 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.092 -0.062 -10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.271 -1.480 -13.025 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.794 -0.693 -12.421 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.465 -0.231 -14.003 1.00 0.00 H new ATOM 689 N GLN A 50 29.645 3.439 -12.146 1.00 0.00 N ATOM 690 CA GLN A 50 30.570 4.359 -11.484 1.00 0.00 C ATOM 691 C GLN A 50 29.857 5.623 -11.008 1.00 0.00 C ATOM 692 O GLN A 50 30.197 6.185 -9.965 1.00 0.00 O ATOM 693 CB GLN A 50 31.731 4.719 -12.410 1.00 0.00 C ATOM 694 CG GLN A 50 32.602 3.524 -12.773 1.00 0.00 C ATOM 695 CD GLN A 50 33.223 2.853 -11.564 1.00 0.00 C ATOM 696 OE1 GLN A 50 34.312 3.220 -11.125 1.00 0.00 O ATOM 697 NE2 GLN A 50 32.541 1.855 -11.024 1.00 0.00 N ATOM 0 H GLN A 50 29.854 3.263 -13.129 1.00 0.00 H new ATOM 0 HA GLN A 50 30.968 3.849 -10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.335 5.162 -13.324 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.349 5.478 -11.930 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.001 2.795 -13.317 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.394 3.850 -13.447 1.00 0.00 H new ATOM 0 HE21 GLN A 50 31.641 1.581 -11.418 1.00 0.00 H new ATOM 0 HE22 GLN A 50 32.916 1.361 -10.214 1.00 0.00 H new ATOM 706 N SER A 51 28.853 6.053 -11.758 1.00 0.00 N ATOM 707 CA SER A 51 28.090 7.235 -11.389 1.00 0.00 C ATOM 708 C SER A 51 27.189 6.920 -10.202 1.00 0.00 C ATOM 709 O SER A 51 27.052 7.725 -9.278 1.00 0.00 O ATOM 710 CB SER A 51 27.262 7.728 -12.577 1.00 0.00 C ATOM 711 OG SER A 51 28.096 8.010 -13.691 1.00 0.00 O ATOM 0 H SER A 51 28.549 5.603 -12.622 1.00 0.00 H new ATOM 0 HA SER A 51 28.782 8.028 -11.104 1.00 0.00 H new ATOM 0 HB2 SER A 51 26.525 6.973 -12.851 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.710 8.624 -12.294 1.00 0.00 H new ATOM 0 HG SER A 51 27.957 7.331 -14.384 1.00 0.00 H new ATOM 717 N ILE A 52 26.606 5.726 -10.220 1.00 0.00 N ATOM 718 CA ILE A 52 25.746 5.267 -9.137 1.00 0.00 C ATOM 719 C ILE A 52 26.547 5.082 -7.849 1.00 0.00 C ATOM 720 O ILE A 52 26.047 5.350 -6.756 1.00 0.00 O ATOM 721 CB ILE A 52 25.049 3.946 -9.513 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.159 4.164 -10.736 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.230 3.405 -8.347 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.600 2.886 -11.311 1.00 0.00 C ATOM 0 H ILE A 52 26.715 5.054 -10.980 1.00 0.00 H new ATOM 0 HA ILE A 52 24.985 6.030 -8.971 1.00 0.00 H new ATOM 0 HB ILE A 52 25.813 3.207 -9.752 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.334 4.821 -10.462 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.734 4.678 -11.506 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.750 2.472 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.886 3.222 -7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.468 4.133 -8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.978 3.118 -12.176 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.419 2.236 -11.617 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.998 2.380 -10.556 1.00 0.00 H new ATOM 736 N GLN A 53 27.793 4.632 -7.988 1.00 0.00 N ATOM 737 CA GLN A 53 28.690 4.479 -6.845 1.00 0.00 C ATOM 738 C GLN A 53 28.777 5.775 -6.046 1.00 0.00 C ATOM 739 O GLN A 53 28.796 5.759 -4.820 1.00 0.00 O ATOM 740 CB GLN A 53 30.091 4.067 -7.302 1.00 0.00 C ATOM 741 CG GLN A 53 30.172 2.665 -7.885 1.00 0.00 C ATOM 742 CD GLN A 53 29.853 1.585 -6.869 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.084 1.750 -5.672 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.330 0.468 -7.345 1.00 0.00 N ATOM 0 H GLN A 53 28.204 4.367 -8.883 1.00 0.00 H new ATOM 0 HA GLN A 53 28.280 3.695 -6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.441 4.779 -8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.772 4.135 -6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.480 2.585 -8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.173 2.499 -8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.154 0.373 -8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.102 -0.299 -6.712 1.00 0.00 H new ATOM 753 N SER A 54 28.816 6.896 -6.749 1.00 0.00 N ATOM 754 CA SER A 54 28.889 8.193 -6.098 1.00 0.00 C ATOM 755 C SER A 54 27.493 8.691 -5.724 1.00 0.00 C ATOM 756 O SER A 54 27.279 9.215 -4.631 1.00 0.00 O ATOM 757 CB SER A 54 29.579 9.198 -7.020 1.00 0.00 C ATOM 758 OG SER A 54 30.831 8.700 -7.463 1.00 0.00 O ATOM 0 H SER A 54 28.798 6.933 -7.768 1.00 0.00 H new ATOM 0 HA SER A 54 29.471 8.090 -5.182 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.941 9.407 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.724 10.141 -6.493 1.00 0.00 H new ATOM 0 HG SER A 54 31.255 9.358 -8.053 1.00 0.00 H new ATOM 764 N LEU A 55 26.540 8.501 -6.631 1.00 0.00 N ATOM 765 CA LEU A 55 25.178 8.990 -6.446 1.00 0.00 C ATOM 766 C LEU A 55 24.530 8.371 -5.207 1.00 0.00 C ATOM 767 O LEU A 55 23.924 9.072 -4.392 1.00 0.00 O ATOM 768 CB LEU A 55 24.337 8.668 -7.688 1.00 0.00 C ATOM 769 CG LEU A 55 22.981 9.372 -7.769 1.00 0.00 C ATOM 770 CD1 LEU A 55 23.162 10.854 -8.055 1.00 0.00 C ATOM 771 CD2 LEU A 55 22.105 8.725 -8.833 1.00 0.00 C ATOM 0 H LEU A 55 26.689 8.006 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 55 25.222 10.070 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.915 8.929 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 55 24.170 7.591 -7.722 1.00 0.00 H new ATOM 0 HG LEU A 55 22.484 9.268 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.186 11.336 -8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.748 11.310 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 55 23.682 10.980 -9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 55 21.145 9.239 -8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.598 8.796 -9.803 1.00 0.00 H new ATOM 0 HD23 LEU A 55 21.944 7.676 -8.583 1.00 0.00 H new ATOM 783 N ALA A 56 24.686 7.061 -5.056 1.00 0.00 N ATOM 784 CA ALA A 56 24.024 6.327 -3.984 1.00 0.00 C ATOM 785 C ALA A 56 24.776 6.435 -2.661 1.00 0.00 C ATOM 786 O ALA A 56 24.193 6.232 -1.599 1.00 0.00 O ATOM 787 CB ALA A 56 23.858 4.864 -4.365 1.00 0.00 C ATOM 0 H ALA A 56 25.267 6.484 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 56 23.043 6.781 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 56 23.362 4.331 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 56 23.255 4.790 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 56 24.838 4.421 -4.545 1.00 0.00 H new ATOM 793 N ALA A 57 26.058 6.774 -2.716 1.00 0.00 N ATOM 794 CA ALA A 57 26.867 6.819 -1.514 1.00 0.00 C ATOM 795 C ALA A 57 26.871 8.218 -0.943 1.00 0.00 C ATOM 796 O ALA A 57 26.911 8.406 0.271 1.00 0.00 O ATOM 797 CB ALA A 57 28.288 6.365 -1.803 1.00 0.00 C ATOM 0 H ALA A 57 26.552 7.019 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 57 26.433 6.138 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 57 28.877 6.407 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 57 28.274 5.342 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 57 28.734 7.020 -2.551 1.00 0.00 H new ATOM 803 N GLN A 58 26.823 9.205 -1.826 1.00 0.00 N ATOM 804 CA GLN A 58 26.812 10.590 -1.400 1.00 0.00 C ATOM 805 C GLN A 58 25.396 11.051 -1.053 1.00 0.00 C ATOM 806 O GLN A 58 25.184 12.203 -0.673 1.00 0.00 O ATOM 807 CB GLN A 58 27.423 11.484 -2.479 1.00 0.00 C ATOM 808 CG GLN A 58 28.908 11.232 -2.697 1.00 0.00 C ATOM 809 CD GLN A 58 29.478 12.017 -3.864 1.00 0.00 C ATOM 810 OE1 GLN A 58 28.664 12.246 -4.884 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 30.646 12.398 -3.859 1.00 0.00 N flip ATOM 0 H GLN A 58 26.791 9.070 -2.837 1.00 0.00 H new ATOM 0 HA GLN A 58 27.418 10.671 -0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.892 11.324 -3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 58 27.275 12.528 -2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.452 11.494 -1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 58 29.069 10.168 -2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 58 31.243 12.203 -3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 58 31.019 12.910 -4.659 1.00 0.00 H new ATOM 820 N GLY A 59 24.438 10.139 -1.186 1.00 0.00 N ATOM 821 CA GLY A 59 23.059 10.432 -0.833 1.00 0.00 C ATOM 822 C GLY A 59 22.412 11.427 -1.771 1.00 0.00 C ATOM 823 O GLY A 59 21.582 12.235 -1.356 1.00 0.00 O ATOM 0 H GLY A 59 24.594 9.193 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.483 9.507 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.024 10.823 0.184 1.00 0.00 H new ATOM 827 N ARG A 60 22.778 11.357 -3.039 1.00 0.00 N ATOM 828 CA ARG A 60 22.277 12.303 -4.021 1.00 0.00 C ATOM 829 C ARG A 60 21.331 11.615 -4.995 1.00 0.00 C ATOM 830 O ARG A 60 20.890 12.211 -5.979 1.00 0.00 O ATOM 831 CB ARG A 60 23.432 12.938 -4.783 1.00 0.00 C ATOM 832 CG ARG A 60 24.468 13.580 -3.882 1.00 0.00 C ATOM 833 CD ARG A 60 25.415 14.446 -4.682 1.00 0.00 C ATOM 834 NE ARG A 60 26.569 14.875 -3.896 1.00 0.00 N ATOM 835 CZ ARG A 60 27.653 15.447 -4.418 1.00 0.00 C ATOM 836 NH1 ARG A 60 27.697 15.739 -5.715 1.00 0.00 N ATOM 837 NH2 ARG A 60 28.687 15.742 -3.642 1.00 0.00 N ATOM 0 H ARG A 60 23.419 10.657 -3.412 1.00 0.00 H new ATOM 0 HA ARG A 60 21.729 13.083 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.916 12.177 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 60 23.037 13.692 -5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 60 23.971 14.183 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 60 25.030 12.807 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 60 25.759 13.894 -5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 60 24.881 15.323 -5.048 1.00 0.00 H new ATOM 0 HE ARG A 60 26.543 14.728 -2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 60 26.899 15.525 -6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 60 28.529 16.177 -6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 60 28.653 15.531 -2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 60 29.517 16.180 -4.042 1.00 0.00 H new ATOM 851 N THR A 61 21.023 10.358 -4.720 1.00 0.00 N ATOM 852 CA THR A 61 20.168 9.582 -5.600 1.00 0.00 C ATOM 853 C THR A 61 18.697 9.903 -5.348 1.00 0.00 C ATOM 854 O THR A 61 18.278 10.128 -4.211 1.00 0.00 O ATOM 855 CB THR A 61 20.424 8.064 -5.448 1.00 0.00 C ATOM 856 OG1 THR A 61 19.639 7.332 -6.395 1.00 0.00 O ATOM 857 CG2 THR A 61 20.105 7.581 -4.042 1.00 0.00 C ATOM 0 H THR A 61 21.352 9.855 -3.896 1.00 0.00 H new ATOM 0 HA THR A 61 20.414 9.861 -6.625 1.00 0.00 H new ATOM 0 HB THR A 61 21.483 7.889 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 61 19.811 6.373 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 61 20.297 6.510 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 61 20.733 8.109 -3.325 1.00 0.00 H new ATOM 0 HG23 THR A 61 19.056 7.777 -3.819 1.00 0.00 H new ATOM 865 N SER A 62 17.930 9.954 -6.425 1.00 0.00 N ATOM 866 CA SER A 62 16.508 10.249 -6.364 1.00 0.00 C ATOM 867 C SER A 62 15.838 9.680 -7.613 1.00 0.00 C ATOM 868 O SER A 62 16.503 9.527 -8.640 1.00 0.00 O ATOM 869 CB SER A 62 16.281 11.764 -6.272 1.00 0.00 C ATOM 870 OG SER A 62 16.969 12.319 -5.162 1.00 0.00 O ATOM 0 H SER A 62 18.278 9.791 -7.370 1.00 0.00 H new ATOM 0 HA SER A 62 16.073 9.792 -5.475 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.622 12.242 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.214 11.970 -6.182 1.00 0.00 H new ATOM 0 HG SER A 62 16.809 13.285 -5.128 1.00 0.00 H new ATOM 876 N PRO A 63 14.530 9.355 -7.548 1.00 0.00 N ATOM 877 CA PRO A 63 13.796 8.726 -8.658 1.00 0.00 C ATOM 878 C PRO A 63 13.998 9.433 -10.001 1.00 0.00 C ATOM 879 O PRO A 63 14.061 8.785 -11.048 1.00 0.00 O ATOM 880 CB PRO A 63 12.322 8.809 -8.226 1.00 0.00 C ATOM 881 CG PRO A 63 12.299 9.683 -7.015 1.00 0.00 C ATOM 882 CD PRO A 63 13.656 9.561 -6.386 1.00 0.00 C ATOM 0 HA PRO A 63 14.149 7.709 -8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.705 9.227 -9.021 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.925 7.819 -8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.087 10.717 -7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.519 9.368 -6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.927 10.458 -5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.706 8.725 -5.688 1.00 0.00 H new ATOM 890 N ASN A 64 14.116 10.757 -9.963 1.00 0.00 N ATOM 891 CA ASN A 64 14.304 11.545 -11.179 1.00 0.00 C ATOM 892 C ASN A 64 15.637 11.191 -11.842 1.00 0.00 C ATOM 893 O ASN A 64 15.723 11.099 -13.070 1.00 0.00 O ATOM 894 CB ASN A 64 14.243 13.044 -10.853 1.00 0.00 C ATOM 895 CG ASN A 64 14.015 13.939 -12.070 1.00 0.00 C ATOM 896 OD1 ASN A 64 14.521 13.551 -13.233 1.00 0.00 O flip ATOM 897 ND2 ASN A 64 13.391 14.995 -11.956 1.00 0.00 N flip ATOM 0 H ASN A 64 14.085 11.307 -9.105 1.00 0.00 H new ATOM 0 HA ASN A 64 13.501 11.310 -11.878 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.442 13.216 -10.134 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.174 13.338 -10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.013 15.269 -11.049 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.253 15.596 -12.769 1.00 0.00 H new ATOM 904 N LYS A 65 16.668 10.969 -11.029 1.00 0.00 N ATOM 905 CA LYS A 65 17.984 10.610 -11.551 1.00 0.00 C ATOM 906 C LYS A 65 17.932 9.241 -12.215 1.00 0.00 C ATOM 907 O LYS A 65 18.439 9.061 -13.324 1.00 0.00 O ATOM 908 CB LYS A 65 19.061 10.609 -10.454 1.00 0.00 C ATOM 909 CG LYS A 65 19.486 11.995 -9.987 1.00 0.00 C ATOM 910 CD LYS A 65 18.526 12.574 -8.962 1.00 0.00 C ATOM 911 CE LYS A 65 18.941 13.976 -8.532 1.00 0.00 C ATOM 912 NZ LYS A 65 20.290 14.007 -7.905 1.00 0.00 N ATOM 0 H LYS A 65 16.618 11.031 -10.012 1.00 0.00 H new ATOM 0 HA LYS A 65 18.256 11.367 -12.286 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.688 10.049 -9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.939 10.079 -10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.486 11.941 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.545 12.664 -10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.520 12.604 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 65 18.488 11.922 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.933 14.635 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.208 14.368 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 20.331 14.778 -7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.473 13.100 -7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 21.010 14.164 -8.639 1.00 0.00 H new ATOM 926 N LEU A 66 17.296 8.284 -11.543 1.00 0.00 N ATOM 927 CA LEU A 66 17.201 6.925 -12.068 1.00 0.00 C ATOM 928 C LEU A 66 16.356 6.896 -13.334 1.00 0.00 C ATOM 929 O LEU A 66 16.597 6.092 -14.229 1.00 0.00 O ATOM 930 CB LEU A 66 16.617 5.949 -11.034 1.00 0.00 C ATOM 931 CG LEU A 66 17.474 5.672 -9.789 1.00 0.00 C ATOM 932 CD1 LEU A 66 18.938 6.019 -10.023 1.00 0.00 C ATOM 933 CD2 LEU A 66 16.931 6.419 -8.590 1.00 0.00 C ATOM 0 H LEU A 66 16.842 8.423 -10.640 1.00 0.00 H new ATOM 0 HA LEU A 66 18.215 6.602 -12.302 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.653 6.338 -10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.424 4.999 -11.533 1.00 0.00 H new ATOM 0 HG LEU A 66 17.421 4.603 -9.585 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.511 5.809 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.327 5.420 -10.846 1.00 0.00 H new ATOM 0 HD13 LEU A 66 19.026 7.077 -10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.552 6.209 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.941 7.490 -8.793 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.909 6.097 -8.393 1.00 0.00 H new ATOM 945 N GLN A 67 15.370 7.779 -13.402 1.00 0.00 N ATOM 946 CA GLN A 67 14.521 7.890 -14.580 1.00 0.00 C ATOM 947 C GLN A 67 15.350 8.282 -15.800 1.00 0.00 C ATOM 948 O GLN A 67 15.170 7.742 -16.893 1.00 0.00 O ATOM 949 CB GLN A 67 13.428 8.930 -14.344 1.00 0.00 C ATOM 950 CG GLN A 67 12.419 9.020 -15.475 1.00 0.00 C ATOM 951 CD GLN A 67 11.462 10.180 -15.305 1.00 0.00 C ATOM 952 OE1 GLN A 67 10.414 10.050 -14.674 1.00 0.00 O ATOM 953 NE2 GLN A 67 11.812 11.320 -15.878 1.00 0.00 N ATOM 0 H GLN A 67 15.138 8.431 -12.653 1.00 0.00 H new ATOM 0 HA GLN A 67 14.059 6.920 -14.765 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.904 8.690 -13.419 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.892 9.906 -14.204 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.948 9.125 -16.422 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.853 8.090 -15.528 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.691 11.384 -16.392 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.203 12.135 -15.806 1.00 0.00 H new ATOM 962 N ALA A 68 16.269 9.217 -15.603 1.00 0.00 N ATOM 963 CA ALA A 68 17.134 9.673 -16.681 1.00 0.00 C ATOM 964 C ALA A 68 18.133 8.591 -17.058 1.00 0.00 C ATOM 965 O ALA A 68 18.379 8.342 -18.241 1.00 0.00 O ATOM 966 CB ALA A 68 17.846 10.957 -16.286 1.00 0.00 C ATOM 0 H ALA A 68 16.434 9.674 -14.706 1.00 0.00 H new ATOM 0 HA ALA A 68 16.517 9.883 -17.555 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.488 11.283 -17.104 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.109 11.731 -16.073 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.452 10.779 -15.398 1.00 0.00 H new ATOM 972 N LEU A 69 18.687 7.933 -16.044 1.00 0.00 N ATOM 973 CA LEU A 69 19.593 6.811 -16.253 1.00 0.00 C ATOM 974 C LEU A 69 18.884 5.689 -17.004 1.00 0.00 C ATOM 975 O LEU A 69 19.486 5.003 -17.820 1.00 0.00 O ATOM 976 CB LEU A 69 20.120 6.293 -14.913 1.00 0.00 C ATOM 977 CG LEU A 69 21.073 7.237 -14.174 1.00 0.00 C ATOM 978 CD1 LEU A 69 21.355 6.721 -12.773 1.00 0.00 C ATOM 979 CD2 LEU A 69 22.376 7.398 -14.945 1.00 0.00 C ATOM 0 H LEU A 69 18.522 8.160 -15.063 1.00 0.00 H new ATOM 0 HA LEU A 69 20.436 7.157 -16.851 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.270 6.081 -14.265 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.633 5.347 -15.085 1.00 0.00 H new ATOM 0 HG LEU A 69 20.592 8.212 -14.097 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.034 7.405 -12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.421 6.654 -12.215 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.813 5.734 -12.834 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.039 8.072 -14.403 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.857 6.426 -15.053 1.00 0.00 H new ATOM 0 HD23 LEU A 69 22.166 7.811 -15.932 1.00 0.00 H new ATOM 991 N ASN A 70 17.592 5.540 -16.735 1.00 0.00 N ATOM 992 CA ASN A 70 16.767 4.506 -17.358 1.00 0.00 C ATOM 993 C ASN A 70 16.733 4.682 -18.874 1.00 0.00 C ATOM 994 O ASN A 70 16.932 3.732 -19.632 1.00 0.00 O ATOM 995 CB ASN A 70 15.344 4.588 -16.795 1.00 0.00 C ATOM 996 CG ASN A 70 14.442 3.465 -17.255 1.00 0.00 C ATOM 997 OD1 ASN A 70 14.374 2.419 -16.620 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.721 3.683 -18.343 1.00 0.00 N ATOM 0 H ASN A 70 17.084 6.133 -16.078 1.00 0.00 H new ATOM 0 HA ASN A 70 17.198 3.530 -17.136 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.393 4.580 -15.706 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.902 5.540 -17.087 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.079 2.966 -18.682 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.807 4.568 -18.843 1.00 0.00 H new ATOM 1005 N MET A 71 16.496 5.914 -19.301 1.00 0.00 N ATOM 1006 CA MET A 71 16.392 6.239 -20.720 1.00 0.00 C ATOM 1007 C MET A 71 17.749 6.164 -21.399 1.00 0.00 C ATOM 1008 O MET A 71 17.890 5.555 -22.461 1.00 0.00 O ATOM 1009 CB MET A 71 15.789 7.632 -20.892 1.00 0.00 C ATOM 1010 CG MET A 71 14.339 7.698 -20.455 1.00 0.00 C ATOM 1011 SD MET A 71 13.654 9.365 -20.513 1.00 0.00 S ATOM 1012 CE MET A 71 14.595 10.148 -19.211 1.00 0.00 C ATOM 0 H MET A 71 16.371 6.713 -18.680 1.00 0.00 H new ATOM 0 HA MET A 71 15.739 5.506 -21.193 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.372 8.350 -20.315 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.863 7.929 -21.938 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.744 7.045 -21.094 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.255 7.313 -19.439 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.195 11.144 -19.021 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.526 9.550 -18.302 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.639 10.229 -19.514 1.00 0.00 H new ATOM 1022 N ARG A 72 18.743 6.779 -20.772 1.00 0.00 N ATOM 1023 CA ARG A 72 20.110 6.770 -21.293 1.00 0.00 C ATOM 1024 C ARG A 72 20.650 5.348 -21.415 1.00 0.00 C ATOM 1025 O ARG A 72 21.339 5.017 -22.380 1.00 0.00 O ATOM 1026 CB ARG A 72 21.031 7.599 -20.398 1.00 0.00 C ATOM 1027 CG ARG A 72 20.851 9.097 -20.558 1.00 0.00 C ATOM 1028 CD ARG A 72 21.764 9.864 -19.619 1.00 0.00 C ATOM 1029 NE ARG A 72 21.817 11.288 -19.948 1.00 0.00 N ATOM 1030 CZ ARG A 72 22.273 12.228 -19.121 1.00 0.00 C ATOM 1031 NH1 ARG A 72 22.642 11.905 -17.889 1.00 0.00 N ATOM 1032 NH2 ARG A 72 22.348 13.491 -19.524 1.00 0.00 N ATOM 0 H ARG A 72 18.631 7.293 -19.898 1.00 0.00 H new ATOM 0 HA ARG A 72 20.085 7.213 -22.289 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.851 7.329 -19.357 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.067 7.341 -20.619 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.062 9.383 -21.588 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.813 9.364 -20.359 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.415 9.742 -18.594 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.768 9.443 -19.666 1.00 0.00 H new ATOM 0 HE ARG A 72 21.484 11.580 -20.867 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.577 10.937 -17.574 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.991 12.625 -17.256 1.00 0.00 H new ATOM 0 HH21 ARG A 72 22.056 13.743 -20.468 1.00 0.00 H new ATOM 0 HH22 ARG A 72 22.697 14.209 -18.889 1.00 0.00 H new ATOM 1046 N PHE A 73 20.340 4.519 -20.427 1.00 0.00 N ATOM 1047 CA PHE A 73 20.728 3.113 -20.436 1.00 0.00 C ATOM 1048 C PHE A 73 20.216 2.421 -21.698 1.00 0.00 C ATOM 1049 O PHE A 73 20.963 1.727 -22.391 1.00 0.00 O ATOM 1050 CB PHE A 73 20.174 2.431 -19.179 1.00 0.00 C ATOM 1051 CG PHE A 73 20.397 0.949 -19.102 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.673 0.415 -19.170 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.323 0.090 -18.945 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.872 -0.948 -19.080 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.513 -1.273 -18.858 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.790 -1.795 -18.927 1.00 0.00 C ATOM 0 H PHE A 73 19.814 4.800 -19.599 1.00 0.00 H new ATOM 0 HA PHE A 73 21.815 3.038 -20.436 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.628 2.896 -18.304 1.00 0.00 H new ATOM 0 HB3 PHE A 73 19.103 2.624 -19.123 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.521 1.072 -19.295 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.322 0.493 -18.890 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.872 -1.352 -19.129 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.665 -1.931 -18.736 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.943 -2.862 -18.862 1.00 0.00 H new ATOM 1066 N ALA A 74 18.944 2.642 -22.001 1.00 0.00 N ATOM 1067 CA ALA A 74 18.316 2.046 -23.170 1.00 0.00 C ATOM 1068 C ALA A 74 18.946 2.553 -24.469 1.00 0.00 C ATOM 1069 O ALA A 74 19.324 1.758 -25.334 1.00 0.00 O ATOM 1070 CB ALA A 74 16.825 2.329 -23.166 1.00 0.00 C ATOM 0 H ALA A 74 18.324 3.234 -21.448 1.00 0.00 H new ATOM 0 HA ALA A 74 18.477 0.969 -23.120 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.367 1.878 -24.046 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.377 1.907 -22.267 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.659 3.406 -23.183 1.00 0.00 H new ATOM 1076 N SER A 75 19.079 3.872 -24.591 1.00 0.00 N ATOM 1077 CA SER A 75 19.578 4.484 -25.819 1.00 0.00 C ATOM 1078 C SER A 75 21.032 4.102 -26.090 1.00 0.00 C ATOM 1079 O SER A 75 21.414 3.865 -27.235 1.00 0.00 O ATOM 1080 CB SER A 75 19.432 6.007 -25.748 1.00 0.00 C ATOM 1081 OG SER A 75 20.068 6.532 -24.595 1.00 0.00 O ATOM 0 H SER A 75 18.848 4.537 -23.853 1.00 0.00 H new ATOM 0 HA SER A 75 18.978 4.105 -26.646 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.864 6.458 -26.641 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.375 6.273 -25.736 1.00 0.00 H new ATOM 0 HG SER A 75 20.365 5.795 -24.021 1.00 0.00 H new ATOM 1087 N SER A 76 21.836 4.024 -25.037 1.00 0.00 N ATOM 1088 CA SER A 76 23.246 3.688 -25.184 1.00 0.00 C ATOM 1089 C SER A 76 23.425 2.260 -25.697 1.00 0.00 C ATOM 1090 O SER A 76 24.304 1.991 -26.516 1.00 0.00 O ATOM 1091 CB SER A 76 23.975 3.875 -23.856 1.00 0.00 C ATOM 1092 OG SER A 76 23.814 5.200 -23.375 1.00 0.00 O ATOM 0 H SER A 76 21.537 4.188 -24.076 1.00 0.00 H new ATOM 0 HA SER A 76 23.679 4.363 -25.922 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.590 3.167 -23.122 1.00 0.00 H new ATOM 0 HB3 SER A 76 25.035 3.656 -23.984 1.00 0.00 H new ATOM 0 HG SER A 76 22.991 5.258 -22.846 1.00 0.00 H new ATOM 1098 N MET A 77 22.582 1.347 -25.227 1.00 0.00 N ATOM 1099 CA MET A 77 22.610 -0.026 -25.717 1.00 0.00 C ATOM 1100 C MET A 77 22.107 -0.075 -27.149 1.00 0.00 C ATOM 1101 O MET A 77 22.598 -0.852 -27.967 1.00 0.00 O ATOM 1102 CB MET A 77 21.758 -0.944 -24.841 1.00 0.00 C ATOM 1103 CG MET A 77 22.302 -1.129 -23.435 1.00 0.00 C ATOM 1104 SD MET A 77 21.330 -2.300 -22.473 1.00 0.00 S ATOM 1105 CE MET A 77 19.724 -1.506 -22.481 1.00 0.00 C ATOM 0 H MET A 77 21.877 1.530 -24.513 1.00 0.00 H new ATOM 0 HA MET A 77 23.641 -0.377 -25.679 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.749 -0.537 -24.779 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.680 -1.919 -25.321 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.334 -1.476 -23.490 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.316 -0.166 -22.924 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.047 -2.048 -21.821 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.825 -0.478 -22.132 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.322 -1.508 -23.494 1.00 0.00 H new ATOM 1115 N ALA A 78 21.131 0.777 -27.438 1.00 0.00 N ATOM 1116 CA ALA A 78 20.570 0.893 -28.775 1.00 0.00 C ATOM 1117 C ALA A 78 21.637 1.308 -29.780 1.00 0.00 C ATOM 1118 O ALA A 78 21.698 0.774 -30.885 1.00 0.00 O ATOM 1119 CB ALA A 78 19.435 1.899 -28.774 1.00 0.00 C ATOM 0 H ALA A 78 20.708 1.404 -26.754 1.00 0.00 H new ATOM 0 HA ALA A 78 20.185 -0.083 -29.072 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.020 1.980 -29.779 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.657 1.569 -28.086 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.811 2.872 -28.457 1.00 0.00 H new ATOM 1125 N GLU A 79 22.474 2.261 -29.384 1.00 0.00 N ATOM 1126 CA GLU A 79 23.577 2.719 -30.224 1.00 0.00 C ATOM 1127 C GLU A 79 24.478 1.558 -30.609 1.00 0.00 C ATOM 1128 O GLU A 79 24.856 1.409 -31.768 1.00 0.00 O ATOM 1129 CB GLU A 79 24.399 3.783 -29.496 1.00 0.00 C ATOM 1130 CG GLU A 79 23.628 5.053 -29.206 1.00 0.00 C ATOM 1131 CD GLU A 79 24.508 6.148 -28.645 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.371 6.661 -29.392 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.335 6.511 -27.463 1.00 0.00 O ATOM 0 H GLU A 79 22.410 2.734 -28.482 1.00 0.00 H new ATOM 0 HA GLU A 79 23.151 3.152 -31.129 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.765 3.368 -28.557 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.274 4.029 -30.098 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.155 5.405 -30.123 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.828 4.835 -28.498 1.00 0.00 H new ATOM 1140 N ILE A 80 24.807 0.742 -29.622 1.00 0.00 N ATOM 1141 CA ILE A 80 25.646 -0.429 -29.828 1.00 0.00 C ATOM 1142 C ILE A 80 24.952 -1.443 -30.736 1.00 0.00 C ATOM 1143 O ILE A 80 25.530 -1.921 -31.712 1.00 0.00 O ATOM 1144 CB ILE A 80 25.977 -1.095 -28.479 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.712 -0.105 -27.572 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.801 -2.361 -28.684 1.00 0.00 C ATOM 1147 CD1 ILE A 80 26.907 -0.604 -26.160 1.00 0.00 C ATOM 0 H ILE A 80 24.502 0.871 -28.657 1.00 0.00 H new ATOM 0 HA ILE A 80 26.568 -0.100 -30.306 1.00 0.00 H new ATOM 0 HB ILE A 80 25.044 -1.383 -27.995 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.686 0.118 -28.007 1.00 0.00 H new ATOM 0 HG13 ILE A 80 26.154 0.831 -27.543 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.022 -2.812 -27.717 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.237 -3.067 -29.294 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.734 -2.110 -29.188 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.435 0.151 -25.577 1.00 0.00 H new ATOM 0 HD12 ILE A 80 25.936 -0.800 -25.706 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.492 -1.524 -26.177 1.00 0.00 H new ATOM 1159 N ALA A 81 23.702 -1.744 -30.410 1.00 0.00 N ATOM 1160 CA ALA A 81 22.907 -2.708 -31.161 1.00 0.00 C ATOM 1161 C ALA A 81 22.740 -2.294 -32.621 1.00 0.00 C ATOM 1162 O ALA A 81 22.631 -3.142 -33.507 1.00 0.00 O ATOM 1163 CB ALA A 81 21.543 -2.864 -30.504 1.00 0.00 C ATOM 0 H ALA A 81 23.211 -1.328 -29.619 1.00 0.00 H new ATOM 0 HA ALA A 81 23.436 -3.661 -31.150 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.949 -3.585 -31.066 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.670 -3.218 -29.481 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.032 -1.901 -30.494 1.00 0.00 H new ATOM 1169 N ALA A 82 22.729 -0.990 -32.862 1.00 0.00 N ATOM 1170 CA ALA A 82 22.474 -0.453 -34.193 1.00 0.00 C ATOM 1171 C ALA A 82 23.766 -0.148 -34.947 1.00 0.00 C ATOM 1172 O ALA A 82 23.743 0.145 -36.143 1.00 0.00 O ATOM 1173 CB ALA A 82 21.641 0.811 -34.087 1.00 0.00 C ATOM 0 H ALA A 82 22.895 -0.280 -32.149 1.00 0.00 H new ATOM 0 HA ALA A 82 21.932 -1.215 -34.754 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.454 1.208 -35.085 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.691 0.582 -33.603 1.00 0.00 H new ATOM 0 HB3 ALA A 82 22.179 1.553 -33.497 1.00 0.00 H new ATOM 1241 N SER A 89 20.739 -9.712 -36.859 1.00 0.00 N ATOM 1242 CA SER A 89 19.410 -9.567 -36.280 1.00 0.00 C ATOM 1243 C SER A 89 19.438 -8.551 -35.141 1.00 0.00 C ATOM 1244 O SER A 89 20.144 -8.735 -34.143 1.00 0.00 O ATOM 1245 CB SER A 89 18.889 -10.909 -35.754 1.00 0.00 C ATOM 1246 OG SER A 89 17.573 -10.782 -35.236 1.00 0.00 O ATOM 0 HA SER A 89 18.740 -9.216 -37.065 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.897 -11.645 -36.558 1.00 0.00 H new ATOM 0 HB3 SER A 89 19.555 -11.280 -34.975 1.00 0.00 H new ATOM 0 HG SER A 89 17.413 -11.487 -34.574 1.00 0.00 H new ATOM 1252 N LEU A 90 18.686 -7.473 -35.299 1.00 0.00 N ATOM 1253 CA LEU A 90 18.543 -6.480 -34.247 1.00 0.00 C ATOM 1254 C LEU A 90 17.334 -6.828 -33.386 1.00 0.00 C ATOM 1255 O LEU A 90 17.297 -6.520 -32.194 1.00 0.00 O ATOM 1256 CB LEU A 90 18.416 -5.076 -34.853 1.00 0.00 C ATOM 1257 CG LEU A 90 18.569 -3.915 -33.861 1.00 0.00 C ATOM 1258 CD1 LEU A 90 19.265 -2.745 -34.521 1.00 0.00 C ATOM 1259 CD2 LEU A 90 17.220 -3.469 -33.332 1.00 0.00 C ATOM 0 H LEU A 90 18.163 -7.263 -36.150 1.00 0.00 H new ATOM 0 HA LEU A 90 19.431 -6.484 -33.615 1.00 0.00 H new ATOM 0 HB2 LEU A 90 19.169 -4.966 -35.634 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.442 -4.994 -35.335 1.00 0.00 H new ATOM 0 HG LEU A 90 19.172 -4.269 -33.025 1.00 0.00 H new ATOM 0 HD11 LEU A 90 19.366 -1.930 -33.804 1.00 0.00 H new ATOM 0 HD12 LEU A 90 20.254 -3.054 -34.860 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.678 -2.407 -35.375 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.358 -2.645 -32.631 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.595 -3.139 -34.162 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.736 -4.302 -32.822 1.00 0.00 H new ATOM 1271 N SER A 91 16.368 -7.513 -33.992 1.00 0.00 N ATOM 1272 CA SER A 91 15.172 -7.948 -33.282 1.00 0.00 C ATOM 1273 C SER A 91 15.535 -8.955 -32.190 1.00 0.00 C ATOM 1274 O SER A 91 14.933 -8.969 -31.116 1.00 0.00 O ATOM 1275 CB SER A 91 14.166 -8.566 -34.260 1.00 0.00 C ATOM 1276 OG SER A 91 12.937 -8.865 -33.616 1.00 0.00 O ATOM 0 H SER A 91 16.392 -7.779 -34.976 1.00 0.00 H new ATOM 0 HA SER A 91 14.713 -7.077 -32.813 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.988 -7.877 -35.086 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.585 -9.476 -34.689 1.00 0.00 H new ATOM 0 HG SER A 91 12.315 -9.256 -34.264 1.00 0.00 H new ATOM 1282 N THR A 92 16.527 -9.795 -32.464 1.00 0.00 N ATOM 1283 CA THR A 92 17.008 -10.745 -31.475 1.00 0.00 C ATOM 1284 C THR A 92 17.692 -10.010 -30.318 1.00 0.00 C ATOM 1285 O THR A 92 17.667 -10.469 -29.180 1.00 0.00 O ATOM 1286 CB THR A 92 17.984 -11.764 -32.107 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.336 -12.448 -33.189 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.466 -12.785 -31.084 1.00 0.00 C ATOM 0 H THR A 92 17.011 -9.835 -33.361 1.00 0.00 H new ATOM 0 HA THR A 92 16.147 -11.292 -31.090 1.00 0.00 H new ATOM 0 HB THR A 92 18.850 -11.213 -32.475 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.958 -13.092 -33.588 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.150 -13.485 -31.563 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.982 -12.271 -30.273 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.611 -13.330 -30.683 1.00 0.00 H new ATOM 1296 N LYS A 93 18.264 -8.846 -30.613 1.00 0.00 N ATOM 1297 CA LYS A 93 18.992 -8.071 -29.613 1.00 0.00 C ATOM 1298 C LYS A 93 18.065 -7.552 -28.519 1.00 0.00 C ATOM 1299 O LYS A 93 18.352 -7.718 -27.334 1.00 0.00 O ATOM 1300 CB LYS A 93 19.726 -6.903 -30.268 1.00 0.00 C ATOM 1301 CG LYS A 93 20.903 -7.329 -31.123 1.00 0.00 C ATOM 1302 CD LYS A 93 21.576 -6.135 -31.776 1.00 0.00 C ATOM 1303 CE LYS A 93 22.882 -6.525 -32.444 1.00 0.00 C ATOM 1304 NZ LYS A 93 22.705 -7.664 -33.384 1.00 0.00 N ATOM 0 H LYS A 93 18.237 -8.418 -31.538 1.00 0.00 H new ATOM 0 HA LYS A 93 19.720 -8.739 -29.152 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.023 -6.343 -30.885 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.079 -6.225 -29.491 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.626 -7.864 -30.508 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.563 -8.023 -31.892 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.905 -5.698 -32.515 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.766 -5.368 -31.025 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.284 -5.668 -32.984 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.614 -6.793 -31.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.303 -7.519 -34.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.979 -8.549 -32.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.708 -7.722 -33.676 1.00 0.00 H new ATOM 1318 N THR A 94 16.957 -6.936 -28.918 1.00 0.00 N ATOM 1319 CA THR A 94 15.997 -6.405 -27.961 1.00 0.00 C ATOM 1320 C THR A 94 15.472 -7.518 -27.057 1.00 0.00 C ATOM 1321 O THR A 94 15.347 -7.342 -25.840 1.00 0.00 O ATOM 1322 CB THR A 94 14.822 -5.715 -28.678 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.356 -6.538 -29.755 1.00 0.00 O ATOM 1324 CG2 THR A 94 15.239 -4.355 -29.220 1.00 0.00 C ATOM 0 H THR A 94 16.703 -6.793 -29.896 1.00 0.00 H new ATOM 0 HA THR A 94 16.511 -5.663 -27.351 1.00 0.00 H new ATOM 0 HB THR A 94 14.020 -5.570 -27.955 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.608 -6.094 -30.206 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.392 -3.888 -29.722 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.568 -3.721 -28.397 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.057 -4.481 -29.930 1.00 0.00 H new ATOM 1332 N SER A 95 15.194 -8.667 -27.658 1.00 0.00 N ATOM 1333 CA SER A 95 14.749 -9.833 -26.928 1.00 0.00 C ATOM 1334 C SER A 95 15.849 -10.346 -25.993 1.00 0.00 C ATOM 1335 O SER A 95 15.582 -10.726 -24.854 1.00 0.00 O ATOM 1336 CB SER A 95 14.346 -10.918 -27.922 1.00 0.00 C ATOM 1337 OG SER A 95 13.354 -10.442 -28.818 1.00 0.00 O ATOM 0 H SER A 95 15.272 -8.811 -28.665 1.00 0.00 H new ATOM 0 HA SER A 95 13.891 -9.563 -26.313 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.221 -11.246 -28.483 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.968 -11.787 -27.384 1.00 0.00 H new ATOM 0 HG SER A 95 13.783 -9.955 -29.552 1.00 0.00 H new ATOM 1343 N SER A 96 17.087 -10.333 -26.481 1.00 0.00 N ATOM 1344 CA SER A 96 18.228 -10.816 -25.712 1.00 0.00 C ATOM 1345 C SER A 96 18.435 -9.996 -24.443 1.00 0.00 C ATOM 1346 O SER A 96 18.581 -10.555 -23.356 1.00 0.00 O ATOM 1347 CB SER A 96 19.496 -10.785 -26.567 1.00 0.00 C ATOM 1348 OG SER A 96 19.399 -11.690 -27.654 1.00 0.00 O ATOM 0 H SER A 96 17.325 -9.991 -27.412 1.00 0.00 H new ATOM 0 HA SER A 96 18.017 -11.844 -25.418 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.660 -9.775 -26.944 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.359 -11.040 -25.953 1.00 0.00 H new ATOM 0 HG SER A 96 18.976 -11.242 -28.416 1.00 0.00 H new ATOM 1354 N ILE A 97 18.437 -8.671 -24.583 1.00 0.00 N ATOM 1355 CA ILE A 97 18.641 -7.786 -23.443 1.00 0.00 C ATOM 1356 C ILE A 97 17.586 -8.040 -22.373 1.00 0.00 C ATOM 1357 O ILE A 97 17.911 -8.252 -21.207 1.00 0.00 O ATOM 1358 CB ILE A 97 18.590 -6.297 -23.845 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.660 -5.985 -24.894 1.00 0.00 C ATOM 1360 CG2 ILE A 97 18.777 -5.417 -22.614 1.00 0.00 C ATOM 1361 CD1 ILE A 97 19.630 -4.553 -25.380 1.00 0.00 C ATOM 0 H ILE A 97 18.300 -8.191 -25.472 1.00 0.00 H new ATOM 0 HA ILE A 97 19.635 -8.005 -23.052 1.00 0.00 H new ATOM 0 HB ILE A 97 17.614 -6.087 -24.282 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.643 -6.197 -24.473 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.528 -6.652 -25.746 1.00 0.00 H new ATOM 0 HG21 ILE A 97 18.740 -4.368 -22.908 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.982 -5.622 -21.896 1.00 0.00 H new ATOM 0 HG23 ILE A 97 19.743 -5.632 -22.157 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.415 -4.404 -26.121 1.00 0.00 H new ATOM 0 HD12 ILE A 97 18.660 -4.342 -25.831 1.00 0.00 H new ATOM 0 HD13 ILE A 97 19.793 -3.880 -24.538 1.00 0.00 H new ATOM 1373 N ALA A 98 16.326 -8.047 -22.788 1.00 0.00 N ATOM 1374 CA ALA A 98 15.214 -8.220 -21.864 1.00 0.00 C ATOM 1375 C ALA A 98 15.293 -9.558 -21.138 1.00 0.00 C ATOM 1376 O ALA A 98 15.085 -9.625 -19.925 1.00 0.00 O ATOM 1377 CB ALA A 98 13.895 -8.090 -22.600 1.00 0.00 C ATOM 0 H ALA A 98 16.048 -7.934 -23.763 1.00 0.00 H new ATOM 0 HA ALA A 98 15.278 -7.434 -21.112 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.072 -8.221 -21.898 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.829 -7.102 -23.056 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.835 -8.853 -23.376 1.00 0.00 H new ATOM 1383 N SER A 99 15.613 -10.617 -21.874 1.00 0.00 N ATOM 1384 CA SER A 99 15.696 -11.941 -21.314 1.00 0.00 C ATOM 1385 C SER A 99 16.886 -12.050 -20.363 1.00 0.00 C ATOM 1386 O SER A 99 16.827 -12.749 -19.354 1.00 0.00 O ATOM 1387 CB SER A 99 15.820 -12.941 -22.454 1.00 0.00 C ATOM 1388 OG SER A 99 14.739 -12.814 -23.368 1.00 0.00 O ATOM 0 H SER A 99 15.820 -10.571 -22.872 1.00 0.00 H new ATOM 0 HA SER A 99 14.797 -12.155 -20.737 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.763 -12.784 -22.978 1.00 0.00 H new ATOM 0 HB3 SER A 99 15.843 -13.954 -22.052 1.00 0.00 H new ATOM 0 HG SER A 99 14.801 -11.952 -23.830 1.00 0.00 H new ATOM 1394 N ALA A 100 17.962 -11.344 -20.685 1.00 0.00 N ATOM 1395 CA ALA A 100 19.149 -11.344 -19.843 1.00 0.00 C ATOM 1396 C ALA A 100 18.931 -10.507 -18.586 1.00 0.00 C ATOM 1397 O ALA A 100 19.301 -10.917 -17.489 1.00 0.00 O ATOM 1398 CB ALA A 100 20.353 -10.830 -20.618 1.00 0.00 C ATOM 0 H ALA A 100 18.036 -10.765 -21.522 1.00 0.00 H new ATOM 0 HA ALA A 100 19.343 -12.372 -19.537 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.231 -10.837 -19.972 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.532 -11.472 -21.481 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.160 -9.812 -20.957 1.00 0.00 H new ATOM 1404 N MET A 101 18.322 -9.334 -18.752 1.00 0.00 N ATOM 1405 CA MET A 101 18.087 -8.423 -17.633 1.00 0.00 C ATOM 1406 C MET A 101 17.126 -9.022 -16.614 1.00 0.00 C ATOM 1407 O MET A 101 17.339 -8.900 -15.410 1.00 0.00 O ATOM 1408 CB MET A 101 17.541 -7.079 -18.110 1.00 0.00 C ATOM 1409 CG MET A 101 18.539 -6.256 -18.904 1.00 0.00 C ATOM 1410 SD MET A 101 18.024 -4.541 -19.096 1.00 0.00 S ATOM 1411 CE MET A 101 16.329 -4.757 -19.612 1.00 0.00 C ATOM 0 H MET A 101 17.982 -8.992 -19.651 1.00 0.00 H new ATOM 0 HA MET A 101 19.054 -8.264 -17.155 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.658 -7.254 -18.725 1.00 0.00 H new ATOM 0 HB3 MET A 101 17.216 -6.502 -17.244 1.00 0.00 H new ATOM 0 HG2 MET A 101 19.508 -6.287 -18.406 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.672 -6.704 -19.889 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.919 -3.797 -19.925 1.00 0.00 H new ATOM 0 HE2 MET A 101 16.289 -5.458 -20.446 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.743 -5.148 -18.781 1.00 0.00 H new ATOM 1421 N SER A 102 16.065 -9.661 -17.095 1.00 0.00 N ATOM 1422 CA SER A 102 15.083 -10.276 -16.210 1.00 0.00 C ATOM 1423 C SER A 102 15.728 -11.398 -15.403 1.00 0.00 C ATOM 1424 O SER A 102 15.496 -11.534 -14.201 1.00 0.00 O ATOM 1425 CB SER A 102 13.897 -10.797 -17.027 1.00 0.00 C ATOM 1426 OG SER A 102 14.338 -11.529 -18.158 1.00 0.00 O ATOM 0 H SER A 102 15.864 -9.766 -18.089 1.00 0.00 H new ATOM 0 HA SER A 102 14.714 -9.527 -15.510 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.271 -11.432 -16.400 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.279 -9.960 -17.350 1.00 0.00 H new ATOM 0 HG SER A 102 14.508 -10.913 -18.901 1.00 0.00 H new ATOM 1432 N ASN A 103 16.555 -12.178 -16.078 1.00 0.00 N ATOM 1433 CA ASN A 103 17.312 -13.250 -15.447 1.00 0.00 C ATOM 1434 C ASN A 103 18.331 -12.687 -14.456 1.00 0.00 C ATOM 1435 O ASN A 103 18.504 -13.223 -13.368 1.00 0.00 O ATOM 1436 CB ASN A 103 18.004 -14.069 -16.541 1.00 0.00 C ATOM 1437 CG ASN A 103 19.053 -15.035 -16.026 1.00 0.00 C ATOM 1438 OD1 ASN A 103 18.928 -15.609 -14.944 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.100 -15.220 -16.813 1.00 0.00 N ATOM 0 H ASN A 103 16.722 -12.087 -17.080 1.00 0.00 H new ATOM 0 HA ASN A 103 16.636 -13.893 -14.883 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.249 -14.630 -17.091 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.472 -13.386 -17.249 1.00 0.00 H new ATOM 0 HD21 ASN A 103 20.844 -15.859 -16.531 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.164 -14.724 -17.702 1.00 0.00 H new ATOM 1446 N ALA A 104 18.985 -11.597 -14.832 1.00 0.00 N ATOM 1447 CA ALA A 104 19.957 -10.950 -13.959 1.00 0.00 C ATOM 1448 C ALA A 104 19.281 -10.369 -12.720 1.00 0.00 C ATOM 1449 O ALA A 104 19.796 -10.481 -11.605 1.00 0.00 O ATOM 1450 CB ALA A 104 20.702 -9.867 -14.719 1.00 0.00 C ATOM 0 H ALA A 104 18.861 -11.141 -15.736 1.00 0.00 H new ATOM 0 HA ALA A 104 20.673 -11.702 -13.626 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.425 -9.390 -14.058 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.223 -10.311 -15.567 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.993 -9.121 -15.079 1.00 0.00 H new ATOM 1456 N PHE A 105 18.124 -9.747 -12.920 1.00 0.00 N ATOM 1457 CA PHE A 105 17.314 -9.244 -11.816 1.00 0.00 C ATOM 1458 C PHE A 105 16.965 -10.399 -10.882 1.00 0.00 C ATOM 1459 O PHE A 105 17.030 -10.284 -9.655 1.00 0.00 O ATOM 1460 CB PHE A 105 16.030 -8.610 -12.363 1.00 0.00 C ATOM 1461 CG PHE A 105 15.786 -7.195 -11.903 1.00 0.00 C ATOM 1462 CD1 PHE A 105 15.254 -6.942 -10.651 1.00 0.00 C ATOM 1463 CD2 PHE A 105 16.091 -6.121 -12.723 1.00 0.00 C ATOM 1464 CE1 PHE A 105 15.029 -5.647 -10.224 1.00 0.00 C ATOM 1465 CE2 PHE A 105 15.868 -4.823 -12.303 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.339 -4.586 -11.051 1.00 0.00 C ATOM 0 H PHE A 105 17.724 -9.578 -13.843 1.00 0.00 H new ATOM 0 HA PHE A 105 17.875 -8.489 -11.266 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.069 -8.623 -13.452 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.181 -9.226 -12.067 1.00 0.00 H new ATOM 0 HD1 PHE A 105 15.011 -7.768 -9.999 1.00 0.00 H new ATOM 0 HD2 PHE A 105 16.508 -6.300 -13.703 1.00 0.00 H new ATOM 0 HE1 PHE A 105 14.611 -5.465 -9.245 1.00 0.00 H new ATOM 0 HE2 PHE A 105 16.108 -3.995 -12.954 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.168 -3.573 -10.719 1.00 0.00 H new ATOM 1476 N LEU A 106 16.623 -11.521 -11.499 1.00 0.00 N ATOM 1477 CA LEU A 106 16.270 -12.740 -10.806 1.00 0.00 C ATOM 1478 C LEU A 106 17.407 -13.247 -9.914 1.00 0.00 C ATOM 1479 O LEU A 106 17.165 -13.815 -8.851 1.00 0.00 O ATOM 1480 CB LEU A 106 15.923 -13.775 -11.867 1.00 0.00 C ATOM 1481 CG LEU A 106 14.871 -14.804 -11.500 1.00 0.00 C ATOM 1482 CD1 LEU A 106 13.665 -14.136 -10.853 1.00 0.00 C ATOM 1483 CD2 LEU A 106 14.458 -15.542 -12.756 1.00 0.00 C ATOM 0 H LEU A 106 16.584 -11.605 -12.515 1.00 0.00 H new ATOM 0 HA LEU A 106 15.424 -12.553 -10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.585 -13.247 -12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.837 -14.305 -12.137 1.00 0.00 H new ATOM 0 HG LEU A 106 15.285 -15.507 -10.778 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.923 -14.893 -10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.979 -13.616 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.228 -13.420 -11.549 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.701 -16.286 -12.508 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.048 -14.834 -13.476 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.327 -16.038 -13.189 1.00 0.00 H new ATOM 1495 N GLN A 107 18.646 -13.033 -10.341 1.00 0.00 N ATOM 1496 CA GLN A 107 19.796 -13.547 -9.603 1.00 0.00 C ATOM 1497 C GLN A 107 20.241 -12.569 -8.525 1.00 0.00 C ATOM 1498 O GLN A 107 20.705 -12.975 -7.459 1.00 0.00 O ATOM 1499 CB GLN A 107 20.963 -13.836 -10.550 1.00 0.00 C ATOM 1500 CG GLN A 107 20.569 -14.668 -11.754 1.00 0.00 C ATOM 1501 CD GLN A 107 19.769 -15.900 -11.382 1.00 0.00 C ATOM 1502 OE1 GLN A 107 19.985 -16.511 -10.332 1.00 0.00 O ATOM 1503 NE2 GLN A 107 18.813 -16.245 -12.226 1.00 0.00 N ATOM 0 H GLN A 107 18.880 -12.512 -11.186 1.00 0.00 H new ATOM 0 HA GLN A 107 19.488 -14.476 -9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.386 -12.892 -10.893 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.748 -14.355 -10.000 1.00 0.00 H new ATOM 0 HG2 GLN A 107 19.984 -14.054 -12.438 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.468 -14.973 -12.289 1.00 0.00 H new ATOM 0 HE21 GLN A 107 18.671 -15.710 -13.083 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.217 -17.047 -12.021 1.00 0.00 H new ATOM 1512 N THR A 108 20.081 -11.284 -8.793 1.00 0.00 N ATOM 1513 CA THR A 108 20.574 -10.256 -7.895 1.00 0.00 C ATOM 1514 C THR A 108 19.667 -10.089 -6.682 1.00 0.00 C ATOM 1515 O THR A 108 20.086 -10.312 -5.545 1.00 0.00 O ATOM 1516 CB THR A 108 20.722 -8.914 -8.634 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.575 -8.688 -9.462 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.980 -8.905 -9.489 1.00 0.00 C ATOM 0 H THR A 108 19.613 -10.928 -9.627 1.00 0.00 H new ATOM 0 HA THR A 108 21.554 -10.575 -7.541 1.00 0.00 H new ATOM 0 HB THR A 108 20.800 -8.119 -7.893 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.674 -9.186 -10.300 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.064 -7.947 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.853 -9.054 -8.854 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.925 -9.707 -10.225 1.00 0.00 H new ATOM 1526 N THR A 109 18.419 -9.725 -6.924 1.00 0.00 N ATOM 1527 CA THR A 109 17.489 -9.451 -5.841 1.00 0.00 C ATOM 1528 C THR A 109 16.485 -10.589 -5.655 1.00 0.00 C ATOM 1529 O THR A 109 15.834 -10.685 -4.613 1.00 0.00 O ATOM 1530 CB THR A 109 16.756 -8.109 -6.071 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.668 -7.961 -5.149 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.245 -7.999 -7.498 1.00 0.00 C ATOM 0 H THR A 109 18.027 -9.612 -7.859 1.00 0.00 H new ATOM 0 HA THR A 109 18.072 -9.374 -4.923 1.00 0.00 H new ATOM 0 HB THR A 109 17.475 -7.308 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.218 -7.105 -5.309 1.00 0.00 H new ATOM 0 HG21 THR A 109 15.734 -7.045 -7.629 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.084 -8.059 -8.191 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.549 -8.814 -7.699 1.00 0.00 H new ATOM 1540 N GLY A 110 16.364 -11.449 -6.659 1.00 0.00 N ATOM 1541 CA GLY A 110 15.472 -12.593 -6.552 1.00 0.00 C ATOM 1542 C GLY A 110 14.119 -12.327 -7.175 1.00 0.00 C ATOM 1543 O GLY A 110 13.352 -13.254 -7.441 1.00 0.00 O ATOM 0 H GLY A 110 16.865 -11.377 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.930 -13.455 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.341 -12.852 -5.501 1.00 0.00 H new ATOM 1547 N VAL A 111 13.834 -11.055 -7.405 1.00 0.00 N ATOM 1548 CA VAL A 111 12.583 -10.633 -8.014 1.00 0.00 C ATOM 1549 C VAL A 111 12.892 -9.897 -9.306 1.00 0.00 C ATOM 1550 O VAL A 111 13.979 -9.349 -9.457 1.00 0.00 O ATOM 1551 CB VAL A 111 11.779 -9.703 -7.073 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.377 -9.456 -7.610 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.719 -10.276 -5.665 1.00 0.00 C ATOM 0 H VAL A 111 14.464 -10.286 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 111 11.977 -11.518 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 111 12.298 -8.745 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.837 -8.800 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.441 -8.986 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.848 -10.405 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.149 -9.605 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.235 -11.252 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.730 -10.382 -5.272 1.00 0.00 H new ATOM 1563 N VAL A 112 11.954 -9.890 -10.236 1.00 0.00 N ATOM 1564 CA VAL A 112 12.175 -9.243 -11.514 1.00 0.00 C ATOM 1565 C VAL A 112 11.193 -8.093 -11.726 1.00 0.00 C ATOM 1566 O VAL A 112 9.986 -8.249 -11.544 1.00 0.00 O ATOM 1567 CB VAL A 112 12.077 -10.253 -12.686 1.00 0.00 C ATOM 1568 CG1 VAL A 112 10.764 -11.023 -12.634 1.00 0.00 C ATOM 1569 CG2 VAL A 112 12.234 -9.546 -14.026 1.00 0.00 C ATOM 0 H VAL A 112 11.037 -10.323 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 112 13.186 -8.837 -11.499 1.00 0.00 H new ATOM 0 HB VAL A 112 12.893 -10.968 -12.581 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.720 -11.725 -13.467 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.701 -11.571 -11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.930 -10.325 -12.704 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.162 -10.275 -14.833 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.447 -8.801 -14.139 1.00 0.00 H new ATOM 0 HG23 VAL A 112 13.206 -9.055 -14.067 1.00 0.00 H new ATOM 1579 N ASN A 113 11.721 -6.931 -12.091 1.00 0.00 N ATOM 1580 CA ASN A 113 10.886 -5.777 -12.397 1.00 0.00 C ATOM 1581 C ASN A 113 10.593 -5.743 -13.892 1.00 0.00 C ATOM 1582 O ASN A 113 11.409 -5.275 -14.687 1.00 0.00 O ATOM 1583 CB ASN A 113 11.573 -4.475 -11.962 1.00 0.00 C ATOM 1584 CG ASN A 113 10.653 -3.266 -12.045 1.00 0.00 C ATOM 1585 OD1 ASN A 113 9.725 -3.221 -12.849 1.00 0.00 O ATOM 1586 ND2 ASN A 113 10.914 -2.263 -11.224 1.00 0.00 N ATOM 0 H ASN A 113 12.723 -6.763 -12.182 1.00 0.00 H new ATOM 0 HA ASN A 113 9.950 -5.866 -11.846 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.931 -4.583 -10.938 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.448 -4.304 -12.590 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.338 -1.422 -11.247 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.692 -2.330 -10.568 1.00 0.00 H new ATOM 1593 N GLN A 114 9.435 -6.267 -14.267 1.00 0.00 N ATOM 1594 CA GLN A 114 9.044 -6.342 -15.671 1.00 0.00 C ATOM 1595 C GLN A 114 8.770 -4.953 -16.275 1.00 0.00 C ATOM 1596 O GLN A 114 9.289 -4.655 -17.350 1.00 0.00 O ATOM 1597 CB GLN A 114 7.832 -7.266 -15.845 1.00 0.00 C ATOM 1598 CG GLN A 114 7.425 -7.489 -17.296 1.00 0.00 C ATOM 1599 CD GLN A 114 8.533 -8.105 -18.135 1.00 0.00 C ATOM 1600 OE1 GLN A 114 8.661 -9.327 -18.216 1.00 0.00 O ATOM 1601 NE2 GLN A 114 9.326 -7.267 -18.783 1.00 0.00 N ATOM 0 H GLN A 114 8.747 -6.648 -13.618 1.00 0.00 H new ATOM 0 HA GLN A 114 9.886 -6.765 -16.220 1.00 0.00 H new ATOM 0 HB2 GLN A 114 8.055 -8.230 -15.389 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.986 -6.845 -15.302 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.550 -8.138 -17.327 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.131 -6.536 -17.736 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.189 -6.260 -18.691 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.075 -7.628 -19.375 1.00 0.00 H new ATOM 1610 N PRO A 115 7.964 -4.080 -15.617 1.00 0.00 N ATOM 1611 CA PRO A 115 7.686 -2.729 -16.132 1.00 0.00 C ATOM 1612 C PRO A 115 8.951 -1.946 -16.467 1.00 0.00 C ATOM 1613 O PRO A 115 8.985 -1.194 -17.440 1.00 0.00 O ATOM 1614 CB PRO A 115 6.959 -2.044 -14.978 1.00 0.00 C ATOM 1615 CG PRO A 115 6.321 -3.153 -14.222 1.00 0.00 C ATOM 1616 CD PRO A 115 7.246 -4.330 -14.346 1.00 0.00 C ATOM 0 HA PRO A 115 7.118 -2.776 -17.061 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.652 -1.484 -14.350 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.216 -1.335 -15.343 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.177 -2.879 -13.177 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.337 -3.386 -14.629 1.00 0.00 H new ATOM 0 HD2 PRO A 115 7.934 -4.389 -13.503 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.696 -5.270 -14.375 1.00 0.00 H new ATOM 1624 N PHE A 116 9.991 -2.142 -15.666 1.00 0.00 N ATOM 1625 CA PHE A 116 11.238 -1.417 -15.834 1.00 0.00 C ATOM 1626 C PHE A 116 11.893 -1.841 -17.135 1.00 0.00 C ATOM 1627 O PHE A 116 12.439 -1.027 -17.876 1.00 0.00 O ATOM 1628 CB PHE A 116 12.169 -1.708 -14.657 1.00 0.00 C ATOM 1629 CG PHE A 116 13.082 -0.573 -14.313 1.00 0.00 C ATOM 1630 CD1 PHE A 116 12.588 0.528 -13.637 1.00 0.00 C ATOM 1631 CD2 PHE A 116 14.425 -0.608 -14.647 1.00 0.00 C ATOM 1632 CE1 PHE A 116 13.420 1.579 -13.299 1.00 0.00 C ATOM 1633 CE2 PHE A 116 15.262 0.439 -14.313 1.00 0.00 C ATOM 1634 CZ PHE A 116 14.758 1.534 -13.639 1.00 0.00 C ATOM 0 H PHE A 116 9.992 -2.803 -14.889 1.00 0.00 H new ATOM 0 HA PHE A 116 11.037 -0.346 -15.865 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.567 -1.956 -13.783 1.00 0.00 H new ATOM 0 HB3 PHE A 116 12.770 -2.587 -14.890 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.542 0.567 -13.371 1.00 0.00 H new ATOM 0 HD2 PHE A 116 14.822 -1.463 -15.174 1.00 0.00 H new ATOM 0 HE1 PHE A 116 13.025 2.434 -12.770 1.00 0.00 H new ATOM 0 HE2 PHE A 116 16.308 0.401 -14.578 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.410 2.355 -13.378 1.00 0.00 H new ATOM 1644 N ILE A 117 11.799 -3.129 -17.413 1.00 0.00 N ATOM 1645 CA ILE A 117 12.337 -3.685 -18.637 1.00 0.00 C ATOM 1646 C ILE A 117 11.515 -3.217 -19.832 1.00 0.00 C ATOM 1647 O ILE A 117 12.058 -2.921 -20.897 1.00 0.00 O ATOM 1648 CB ILE A 117 12.356 -5.228 -18.590 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.234 -5.703 -17.432 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.841 -5.809 -19.910 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.308 -7.207 -17.295 1.00 0.00 C ATOM 0 H ILE A 117 11.351 -3.812 -16.802 1.00 0.00 H new ATOM 0 HA ILE A 117 13.363 -3.333 -18.742 1.00 0.00 H new ATOM 0 HB ILE A 117 11.338 -5.583 -18.428 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.242 -5.311 -17.569 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.851 -5.282 -16.502 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.845 -6.897 -19.849 1.00 0.00 H new ATOM 0 HG22 ILE A 117 12.175 -5.493 -20.713 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.851 -5.454 -20.115 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.949 -7.464 -16.452 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.308 -7.607 -17.126 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.720 -7.636 -18.208 1.00 0.00 H new ATOM 1663 N ASN A 118 10.203 -3.131 -19.627 1.00 0.00 N ATOM 1664 CA ASN A 118 9.268 -2.684 -20.660 1.00 0.00 C ATOM 1665 C ASN A 118 9.634 -1.297 -21.173 1.00 0.00 C ATOM 1666 O ASN A 118 9.437 -0.990 -22.349 1.00 0.00 O ATOM 1667 CB ASN A 118 7.838 -2.655 -20.107 1.00 0.00 C ATOM 1668 CG ASN A 118 7.214 -4.032 -19.971 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.906 -5.044 -19.864 1.00 0.00 O ATOM 1670 ND2 ASN A 118 5.890 -4.076 -19.943 1.00 0.00 N ATOM 0 H ASN A 118 9.757 -3.369 -18.741 1.00 0.00 H new ATOM 0 HA ASN A 118 9.328 -3.391 -21.487 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.844 -2.169 -19.131 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.216 -2.046 -20.762 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.412 -4.970 -19.830 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.349 -3.216 -20.035 1.00 0.00 H new ATOM 1677 N GLU A 119 10.160 -0.455 -20.289 1.00 0.00 N ATOM 1678 CA GLU A 119 10.546 0.893 -20.671 1.00 0.00 C ATOM 1679 C GLU A 119 11.821 0.870 -21.510 1.00 0.00 C ATOM 1680 O GLU A 119 11.913 1.555 -22.529 1.00 0.00 O ATOM 1681 CB GLU A 119 10.736 1.775 -19.431 1.00 0.00 C ATOM 1682 CG GLU A 119 9.520 1.795 -18.514 1.00 0.00 C ATOM 1683 CD GLU A 119 9.571 2.900 -17.477 1.00 0.00 C ATOM 1684 OE1 GLU A 119 10.577 3.004 -16.748 1.00 0.00 O ATOM 1685 OE2 GLU A 119 8.591 3.671 -17.382 1.00 0.00 O ATOM 0 H GLU A 119 10.327 -0.683 -19.309 1.00 0.00 H new ATOM 0 HA GLU A 119 9.744 1.318 -21.274 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.600 1.419 -18.870 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.960 2.793 -19.749 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.620 1.913 -19.117 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.440 0.833 -18.007 1.00 0.00 H new ATOM 1692 N ILE A 120 12.796 0.072 -21.085 1.00 0.00 N ATOM 1693 CA ILE A 120 14.061 -0.045 -21.801 1.00 0.00 C ATOM 1694 C ILE A 120 13.872 -0.617 -23.211 1.00 0.00 C ATOM 1695 O ILE A 120 14.376 -0.049 -24.179 1.00 0.00 O ATOM 1696 CB ILE A 120 15.086 -0.904 -21.008 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.847 -0.043 -19.997 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.076 -1.596 -21.937 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.988 0.559 -18.911 1.00 0.00 C ATOM 0 H ILE A 120 12.733 -0.505 -20.246 1.00 0.00 H new ATOM 0 HA ILE A 120 14.457 0.966 -21.898 1.00 0.00 H new ATOM 0 HB ILE A 120 14.521 -1.670 -20.476 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.623 -0.652 -19.533 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.351 0.762 -20.532 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.777 -2.187 -21.347 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.536 -2.250 -22.622 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.624 -0.847 -22.508 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.611 1.152 -18.241 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.228 1.198 -19.361 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.504 -0.238 -18.346 1.00 0.00 H new ATOM 1711 N THR A 121 13.124 -1.715 -23.325 1.00 0.00 N ATOM 1712 CA THR A 121 12.988 -2.425 -24.597 1.00 0.00 C ATOM 1713 C THR A 121 12.489 -1.514 -25.713 1.00 0.00 C ATOM 1714 O THR A 121 13.055 -1.494 -26.810 1.00 0.00 O ATOM 1715 CB THR A 121 12.042 -3.637 -24.472 1.00 0.00 C ATOM 1716 OG1 THR A 121 10.817 -3.247 -23.838 1.00 0.00 O ATOM 1717 CG2 THR A 121 12.700 -4.753 -23.678 1.00 0.00 C ATOM 0 H THR A 121 12.604 -2.132 -22.553 1.00 0.00 H new ATOM 0 HA THR A 121 13.988 -2.775 -24.855 1.00 0.00 H new ATOM 0 HB THR A 121 11.824 -4.004 -25.475 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.169 -2.973 -24.520 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.016 -5.598 -23.602 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.613 -5.070 -24.183 1.00 0.00 H new ATOM 0 HG23 THR A 121 12.945 -4.393 -22.679 1.00 0.00 H new ATOM 1725 N GLN A 122 11.447 -0.749 -25.420 1.00 0.00 N ATOM 1726 CA GLN A 122 10.840 0.124 -26.414 1.00 0.00 C ATOM 1727 C GLN A 122 11.813 1.220 -26.830 1.00 0.00 C ATOM 1728 O GLN A 122 11.876 1.604 -27.999 1.00 0.00 O ATOM 1729 CB GLN A 122 9.561 0.754 -25.868 1.00 0.00 C ATOM 1730 CG GLN A 122 8.587 -0.243 -25.262 1.00 0.00 C ATOM 1731 CD GLN A 122 8.298 -1.420 -26.172 1.00 0.00 C ATOM 1732 OE1 GLN A 122 8.969 -2.449 -26.101 1.00 0.00 O ATOM 1733 NE2 GLN A 122 7.306 -1.277 -27.035 1.00 0.00 N ATOM 0 H GLN A 122 11.004 -0.715 -24.502 1.00 0.00 H new ATOM 0 HA GLN A 122 10.592 -0.481 -27.286 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.827 1.492 -25.111 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.060 1.291 -26.674 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.992 -0.611 -24.320 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.652 0.267 -25.029 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.774 -0.407 -27.061 1.00 0.00 H new ATOM 0 HE22 GLN A 122 7.073 -2.037 -27.674 1.00 0.00 H new ATOM 1742 N LEU A 123 12.581 1.713 -25.867 1.00 0.00 N ATOM 1743 CA LEU A 123 13.550 2.768 -26.122 1.00 0.00 C ATOM 1744 C LEU A 123 14.748 2.238 -26.896 1.00 0.00 C ATOM 1745 O LEU A 123 15.289 2.938 -27.748 1.00 0.00 O ATOM 1746 CB LEU A 123 13.995 3.426 -24.814 1.00 0.00 C ATOM 1747 CG LEU A 123 13.148 4.620 -24.357 1.00 0.00 C ATOM 1748 CD1 LEU A 123 11.689 4.227 -24.175 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.704 5.195 -23.066 1.00 0.00 C ATOM 0 H LEU A 123 12.550 1.396 -24.898 1.00 0.00 H new ATOM 0 HA LEU A 123 13.064 3.526 -26.736 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.985 2.673 -24.026 1.00 0.00 H new ATOM 0 HB3 LEU A 123 15.028 3.756 -24.926 1.00 0.00 H new ATOM 0 HG LEU A 123 13.195 5.382 -25.135 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.116 5.096 -23.851 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.290 3.862 -25.121 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.615 3.442 -23.423 1.00 0.00 H new ATOM 0 HD21 LEU A 123 13.094 6.042 -22.752 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.688 4.429 -22.290 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.730 5.527 -23.228 1.00 0.00 H new ATOM 1761 N VAL A 124 15.153 1.003 -26.616 1.00 0.00 N ATOM 1762 CA VAL A 124 16.226 0.374 -27.378 1.00 0.00 C ATOM 1763 C VAL A 124 15.863 0.345 -28.854 1.00 0.00 C ATOM 1764 O VAL A 124 16.605 0.836 -29.697 1.00 0.00 O ATOM 1765 CB VAL A 124 16.514 -1.071 -26.913 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.584 -1.712 -27.787 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.946 -1.094 -25.457 1.00 0.00 C ATOM 0 H VAL A 124 14.759 0.423 -25.875 1.00 0.00 H new ATOM 0 HA VAL A 124 17.123 0.970 -27.210 1.00 0.00 H new ATOM 0 HB VAL A 124 15.593 -1.646 -27.009 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.773 -2.729 -27.444 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.242 -1.736 -28.822 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.504 -1.130 -27.722 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.143 -2.122 -25.152 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.852 -0.500 -25.337 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.153 -0.677 -24.836 1.00 0.00 H new ATOM 1777 N SER A 125 14.699 -0.208 -29.143 1.00 0.00 N ATOM 1778 CA SER A 125 14.216 -0.336 -30.507 1.00 0.00 C ATOM 1779 C SER A 125 14.121 1.035 -31.186 1.00 0.00 C ATOM 1780 O SER A 125 14.604 1.223 -32.306 1.00 0.00 O ATOM 1781 CB SER A 125 12.849 -1.026 -30.484 1.00 0.00 C ATOM 1782 OG SER A 125 12.326 -1.209 -31.788 1.00 0.00 O ATOM 0 H SER A 125 14.062 -0.581 -28.439 1.00 0.00 H new ATOM 0 HA SER A 125 14.919 -0.937 -31.084 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.939 -1.994 -29.990 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.152 -0.431 -29.894 1.00 0.00 H new ATOM 0 HG SER A 125 11.454 -1.653 -31.731 1.00 0.00 H new ATOM 1788 N MET A 126 13.523 1.993 -30.487 1.00 0.00 N ATOM 1789 CA MET A 126 13.305 3.332 -31.026 1.00 0.00 C ATOM 1790 C MET A 126 14.624 4.064 -31.282 1.00 0.00 C ATOM 1791 O MET A 126 14.833 4.626 -32.360 1.00 0.00 O ATOM 1792 CB MET A 126 12.438 4.138 -30.058 1.00 0.00 C ATOM 1793 CG MET A 126 12.169 5.558 -30.519 1.00 0.00 C ATOM 1794 SD MET A 126 11.110 6.468 -29.377 1.00 0.00 S ATOM 1795 CE MET A 126 12.109 6.420 -27.893 1.00 0.00 C ATOM 0 H MET A 126 13.177 1.866 -29.536 1.00 0.00 H new ATOM 0 HA MET A 126 12.795 3.231 -31.984 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.487 3.623 -29.921 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.927 4.168 -29.084 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.116 6.086 -30.630 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.700 5.534 -31.503 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.814 7.233 -27.229 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.962 5.466 -27.386 1.00 0.00 H new ATOM 0 HE3 MET A 126 13.160 6.531 -28.158 1.00 0.00 H new ATOM 1805 N PHE A 127 15.512 4.046 -30.293 1.00 0.00 N ATOM 1806 CA PHE A 127 16.764 4.789 -30.376 1.00 0.00 C ATOM 1807 C PHE A 127 17.785 4.090 -31.274 1.00 0.00 C ATOM 1808 O PHE A 127 18.699 4.729 -31.793 1.00 0.00 O ATOM 1809 CB PHE A 127 17.351 5.019 -28.978 1.00 0.00 C ATOM 1810 CG PHE A 127 16.639 6.081 -28.186 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.516 7.369 -28.682 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.106 5.796 -26.937 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.873 8.350 -27.950 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.461 6.772 -26.203 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.346 8.051 -26.709 1.00 0.00 C ATOM 0 H PHE A 127 15.388 3.525 -29.425 1.00 0.00 H new ATOM 0 HA PHE A 127 16.537 5.755 -30.827 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.319 4.082 -28.422 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.401 5.295 -29.076 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.927 7.609 -29.651 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.197 4.798 -26.534 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.783 9.350 -28.349 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.047 6.535 -25.234 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.845 8.817 -26.135 1.00 0.00 H new ATOM 1825 N ALA A 128 17.627 2.784 -31.463 1.00 0.00 N ATOM 1826 CA ALA A 128 18.507 2.032 -32.353 1.00 0.00 C ATOM 1827 C ALA A 128 18.359 2.534 -33.781 1.00 0.00 C ATOM 1828 O ALA A 128 19.340 2.847 -34.457 1.00 0.00 O ATOM 1829 CB ALA A 128 18.200 0.543 -32.284 1.00 0.00 C ATOM 0 H ALA A 128 16.901 2.225 -31.014 1.00 0.00 H new ATOM 0 HA ALA A 128 19.536 2.184 -32.029 1.00 0.00 H new ATOM 0 HB1 ALA A 128 18.868 0.002 -32.955 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.346 0.188 -31.264 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.166 0.370 -32.584 1.00 0.00 H new ATOM 1835 N GLN A 129 17.116 2.640 -34.223 1.00 0.00 N ATOM 1836 CA GLN A 129 16.811 3.128 -35.559 1.00 0.00 C ATOM 1837 C GLN A 129 17.244 4.587 -35.708 1.00 0.00 C ATOM 1838 O GLN A 129 17.448 5.082 -36.820 1.00 0.00 O ATOM 1839 CB GLN A 129 15.311 2.992 -35.815 1.00 0.00 C ATOM 1840 CG GLN A 129 14.785 1.581 -35.580 1.00 0.00 C ATOM 1841 CD GLN A 129 15.156 0.607 -36.683 1.00 0.00 C ATOM 1842 OE1 GLN A 129 16.178 0.755 -37.353 1.00 0.00 O ATOM 1843 NE2 GLN A 129 14.326 -0.404 -36.875 1.00 0.00 N ATOM 0 H GLN A 129 16.295 2.392 -33.671 1.00 0.00 H new ATOM 0 HA GLN A 129 17.359 2.535 -36.291 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.775 3.685 -35.167 1.00 0.00 H new ATOM 0 HB3 GLN A 129 15.097 3.286 -36.843 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.174 1.210 -34.632 1.00 0.00 H new ATOM 0 HG3 GLN A 129 13.700 1.617 -35.487 1.00 0.00 H new ATOM 0 HE21 GLN A 129 13.489 -0.493 -36.299 1.00 0.00 H new ATOM 0 HE22 GLN A 129 14.523 -1.095 -37.599 1.00 0.00 H new