USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 854 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 86 TYR OH : rot -149:sc= -0.753! USER MOD Set 1.2: A 124 SER OG : rot -114:sc= 2.38 USER MOD Set 2.1: A 67 ASN : amide:sc= 0.949 K(o=1,f=-0.27) USER MOD Set 2.2: A 68 THR OG1 : rot -0:sc= 0.0782 USER MOD Set 3.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 53 LYS NZ :NH3+ -147:sc= 1.07 (180deg=0.0986) USER MOD Set 4.1: A 16 MET CE :methyl -140:sc= -2.91! (180deg=-4.75!) USER MOD Set 4.2: A 48 ASN :FLIP amide:sc= -0.362 F(o=-4.4,f=-3.3) USER MOD Set 4.3: A 52 GLN :FLIP amide:sc= 0 F(o=-3.9,f=-3.3) USER MOD Set 5.1: A 40 MET CE :methyl 173:sc= -0.785 (180deg=-0.917) USER MOD Set 5.2: A 43 MET CE :methyl 167:sc= -1.83 (180deg=-2.1) USER MOD Set 6.1: A 36 GLN : amide:sc= 0.984 K(o=0.26,f=-6.6!) USER MOD Set 6.2: A 81 SER OG : rot 110:sc= -0.719 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 11 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.4) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 17 THR OG1 : rot 60:sc= 1.21 USER MOD Single : A 18 MET CE :methyl 152:sc= 0 (180deg=-0.311) USER MOD Single : A 19 THR OG1 : rot 81:sc= 1.32 USER MOD Single : A 20 ASN : amide:sc= -0.0359 K(o=-0.036,f=-0.93) USER MOD Single : A 21 ASN : amide:sc= -0.0625 K(o=-0.063,f=-1.5!) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.14 F(o=-2.5!,f=-1.1) USER MOD Single : A 27 SER OG : rot 32:sc= 0.0185 USER MOD Single : A 29 SER OG : rot -107:sc= 1.49 USER MOD Single : A 33 THR OG1 : rot -170:sc= 0.903 USER MOD Single : A 37 MET CE :methyl -173:sc= -0.724 (180deg=-0.878) USER MOD Single : A 42 MET CE :methyl 167:sc= -1.06 (180deg=-1.34) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.777 K(o=0.78,f=0) USER MOD Single : A 51 MET CE :methyl 160:sc= -2.06 (180deg=-4.4!) USER MOD Single : A 54 MET CE :methyl -143:sc= -2.39! (180deg=-2.8!) USER MOD Single : A 57 ASN : amide:sc=-0.00158 X(o=-0.0016,f=-0.15) USER MOD Single : A 60 GLN : amide:sc= -0.169 K(o=-0.17,f=-4.1!) USER MOD Single : A 61 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.07) USER MOD Single : A 66 MET CE :methyl -137:sc= -0.114 (180deg=-0.756) USER MOD Single : A 70 MET CE :methyl -133:sc= 0 (180deg=-0.035) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.00943 USER MOD Single : A 91 ASN : amide:sc= 1.19 K(o=1.2,f=-0.082) USER MOD Single : A 92 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 100 SER OG : rot 73:sc= 1.29 USER MOD Single : A 101 MET CE :methyl 158:sc= -0.199 (180deg=-0.908) USER MOD Single : A 102 MET CE :methyl -158:sc= -0.28 (180deg=-1.13) USER MOD Single : A 103 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.76) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.372 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot -85:sc= 1.56 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 117 MET CE :methyl 154:sc= -1.93! (180deg=-3.66!) USER MOD Single : A 118 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl -159:sc= -2.27 (180deg=-3.28!) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.449 8.079 -4.288 1.00 0.00 N ATOM 82 CA ILE A 8 7.982 9.256 -3.513 1.00 0.00 C ATOM 83 C ILE A 8 7.524 10.452 -4.366 1.00 0.00 C ATOM 84 O ILE A 8 6.600 11.163 -3.970 1.00 0.00 O ATOM 85 CB ILE A 8 8.997 9.721 -2.423 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.266 10.538 -1.351 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.134 10.553 -3.008 1.00 0.00 C ATOM 88 CD1 ILE A 8 9.062 10.733 -0.078 1.00 0.00 C ATOM 0 HA ILE A 8 7.092 8.879 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 8 9.436 8.825 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.013 11.515 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.327 10.042 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.813 10.853 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.677 9.960 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.725 11.442 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.477 11.320 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.293 9.762 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.990 11.258 -0.306 1.00 0.00 H new ATOM 100 N TRP A 9 8.125 10.661 -5.529 1.00 0.00 N ATOM 101 CA TRP A 9 7.757 11.789 -6.385 1.00 0.00 C ATOM 102 C TRP A 9 6.380 11.578 -7.007 1.00 0.00 C ATOM 103 O TRP A 9 5.848 12.459 -7.677 1.00 0.00 O ATOM 104 CB TRP A 9 8.803 12.001 -7.481 1.00 0.00 C ATOM 105 CG TRP A 9 10.164 12.347 -6.952 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.202 11.486 -6.745 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.637 13.646 -6.562 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.288 12.164 -6.245 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.966 13.490 -6.124 1.00 0.00 C ATOM 110 CE3 TRP A 9 10.066 14.923 -6.536 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.733 14.559 -5.671 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.829 15.985 -6.086 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.150 15.796 -5.657 1.00 0.00 C ATOM 0 H TRP A 9 8.867 10.069 -5.904 1.00 0.00 H new ATOM 0 HA TRP A 9 7.719 12.682 -5.761 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.876 11.095 -8.083 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.466 12.798 -8.144 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.174 10.425 -6.945 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.187 11.748 -6.003 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.048 15.077 -6.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.752 14.417 -5.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.400 16.976 -6.065 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.719 16.645 -5.308 1.00 0.00 H new ATOM 124 N THR A 10 5.808 10.404 -6.775 1.00 0.00 N ATOM 125 CA THR A 10 4.463 10.095 -7.231 1.00 0.00 C ATOM 126 C THR A 10 3.427 10.927 -6.477 1.00 0.00 C ATOM 127 O THR A 10 2.286 11.073 -6.918 1.00 0.00 O ATOM 128 CB THR A 10 4.163 8.601 -7.035 1.00 0.00 C ATOM 129 OG1 THR A 10 5.267 7.970 -6.364 1.00 0.00 O ATOM 130 CG2 THR A 10 3.916 7.920 -8.370 1.00 0.00 C ATOM 0 H THR A 10 6.262 9.644 -6.268 1.00 0.00 H new ATOM 0 HA THR A 10 4.404 10.339 -8.292 1.00 0.00 H new ATOM 0 HB THR A 10 3.263 8.505 -6.428 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.073 7.018 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.706 6.863 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.064 8.387 -8.865 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.801 8.021 -8.999 1.00 0.00 H new ATOM 138 N ASN A 11 3.836 11.462 -5.334 1.00 0.00 N ATOM 139 CA ASN A 11 2.982 12.328 -4.542 1.00 0.00 C ATOM 140 C ASN A 11 3.732 13.595 -4.173 1.00 0.00 C ATOM 141 O ASN A 11 4.601 13.586 -3.298 1.00 0.00 O ATOM 142 CB ASN A 11 2.483 11.603 -3.285 1.00 0.00 C ATOM 143 CG ASN A 11 1.655 12.500 -2.376 1.00 0.00 C ATOM 144 OD1 ASN A 11 1.051 13.476 -2.820 1.00 0.00 O ATOM 145 ND2 ASN A 11 1.604 12.161 -1.096 1.00 0.00 N ATOM 0 H ASN A 11 4.762 11.308 -4.935 1.00 0.00 H new ATOM 0 HA ASN A 11 2.110 12.598 -5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.884 10.742 -3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.338 11.220 -2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.051 12.716 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.118 11.345 -0.764 1.00 0.00 H new ATOM 152 N PRO A 12 3.410 14.699 -4.863 1.00 0.00 N ATOM 153 CA PRO A 12 4.059 15.993 -4.653 1.00 0.00 C ATOM 154 C PRO A 12 4.043 16.433 -3.194 1.00 0.00 C ATOM 155 O PRO A 12 5.000 17.039 -2.709 1.00 0.00 O ATOM 156 CB PRO A 12 3.229 16.954 -5.508 1.00 0.00 C ATOM 157 CG PRO A 12 2.631 16.099 -6.567 1.00 0.00 C ATOM 158 CD PRO A 12 2.394 14.759 -5.931 1.00 0.00 C ATOM 0 HA PRO A 12 5.114 15.959 -4.923 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.458 17.446 -4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.851 17.739 -5.938 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.698 16.527 -6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.300 16.012 -7.423 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.384 14.679 -5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.517 13.947 -6.648 1.00 0.00 H new ATOM 166 N ASN A 13 2.962 16.116 -2.492 1.00 0.00 N ATOM 167 CA ASN A 13 2.836 16.482 -1.087 1.00 0.00 C ATOM 168 C ASN A 13 3.918 15.797 -0.261 1.00 0.00 C ATOM 169 O ASN A 13 4.572 16.425 0.570 1.00 0.00 O ATOM 170 CB ASN A 13 1.450 16.112 -0.555 1.00 0.00 C ATOM 171 CG ASN A 13 1.266 16.471 0.910 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.516 15.654 1.798 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.829 17.694 1.171 1.00 0.00 N ATOM 0 H ASN A 13 2.163 15.608 -2.871 1.00 0.00 H new ATOM 0 HA ASN A 13 2.961 17.561 -1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.690 16.622 -1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.290 15.042 -0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.688 17.990 2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.634 18.340 0.406 1.00 0.00 H new ATOM 180 N ALA A 14 4.137 14.516 -0.532 1.00 0.00 N ATOM 181 CA ALA A 14 5.127 13.734 0.199 1.00 0.00 C ATOM 182 C ALA A 14 6.533 14.196 -0.139 1.00 0.00 C ATOM 183 O ALA A 14 7.383 14.353 0.743 1.00 0.00 O ATOM 184 CB ALA A 14 4.972 12.256 -0.118 1.00 0.00 C ATOM 0 H ALA A 14 3.641 13.995 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 14 4.961 13.885 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.718 11.685 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.974 11.925 0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.112 12.097 -1.187 1.00 0.00 H new ATOM 190 N ALA A 15 6.764 14.430 -1.424 1.00 0.00 N ATOM 191 CA ALA A 15 8.062 14.867 -1.904 1.00 0.00 C ATOM 192 C ALA A 15 8.424 16.233 -1.333 1.00 0.00 C ATOM 193 O ALA A 15 9.565 16.470 -0.939 1.00 0.00 O ATOM 194 CB ALA A 15 8.080 14.899 -3.422 1.00 0.00 C ATOM 0 H ALA A 15 6.061 14.322 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 15 8.810 14.152 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.060 15.229 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.876 13.901 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.317 15.591 -3.780 1.00 0.00 H new ATOM 200 N MET A 16 7.453 17.135 -1.280 1.00 0.00 N ATOM 201 CA MET A 16 7.681 18.449 -0.704 1.00 0.00 C ATOM 202 C MET A 16 7.879 18.362 0.802 1.00 0.00 C ATOM 203 O MET A 16 8.706 19.075 1.365 1.00 0.00 O ATOM 204 CB MET A 16 6.522 19.387 -1.027 1.00 0.00 C ATOM 205 CG MET A 16 6.874 20.498 -2.002 1.00 0.00 C ATOM 206 SD MET A 16 8.074 21.688 -1.352 1.00 0.00 S ATOM 207 CE MET A 16 9.626 21.035 -1.969 1.00 0.00 C ATOM 0 H MET A 16 6.506 16.980 -1.627 1.00 0.00 H new ATOM 0 HA MET A 16 8.593 18.851 -1.146 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.700 18.802 -1.441 1.00 0.00 H new ATOM 0 HB3 MET A 16 6.161 19.833 -0.100 1.00 0.00 H new ATOM 0 HG2 MET A 16 7.273 20.055 -2.914 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.963 21.029 -2.278 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.392 21.129 -1.199 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.501 19.984 -2.229 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.930 21.594 -2.854 1.00 0.00 H new ATOM 217 N THR A 17 7.134 17.471 1.446 1.00 0.00 N ATOM 218 CA THR A 17 7.231 17.295 2.888 1.00 0.00 C ATOM 219 C THR A 17 8.649 16.901 3.308 1.00 0.00 C ATOM 220 O THR A 17 9.224 17.507 4.213 1.00 0.00 O ATOM 221 CB THR A 17 6.215 16.247 3.392 1.00 0.00 C ATOM 222 OG1 THR A 17 4.882 16.710 3.155 1.00 0.00 O ATOM 223 CG2 THR A 17 6.392 15.976 4.877 1.00 0.00 C ATOM 0 H THR A 17 6.456 16.860 0.991 1.00 0.00 H new ATOM 0 HA THR A 17 6.993 18.255 3.347 1.00 0.00 H new ATOM 0 HB THR A 17 6.392 15.320 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.751 16.853 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.662 15.234 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.398 15.599 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.243 16.900 5.436 1.00 0.00 H new ATOM 231 N MET A 18 9.225 15.910 2.630 1.00 0.00 N ATOM 232 CA MET A 18 10.574 15.455 2.961 1.00 0.00 C ATOM 233 C MET A 18 11.596 16.565 2.706 1.00 0.00 C ATOM 234 O MET A 18 12.553 16.728 3.460 1.00 0.00 O ATOM 235 CB MET A 18 10.955 14.207 2.154 1.00 0.00 C ATOM 236 CG MET A 18 11.096 14.463 0.662 1.00 0.00 C ATOM 237 SD MET A 18 11.808 13.077 -0.241 1.00 0.00 S ATOM 238 CE MET A 18 11.863 13.775 -1.891 1.00 0.00 C ATOM 0 H MET A 18 8.785 15.411 1.857 1.00 0.00 H new ATOM 0 HA MET A 18 10.582 15.198 4.020 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.896 13.811 2.536 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.199 13.438 2.312 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.115 14.691 0.246 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.719 15.344 0.510 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.676 13.316 -2.453 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.918 13.584 -2.399 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.029 14.850 -1.826 1.00 0.00 H new ATOM 248 N THR A 19 11.365 17.335 1.650 1.00 0.00 N ATOM 249 CA THR A 19 12.273 18.397 1.246 1.00 0.00 C ATOM 250 C THR A 19 12.245 19.557 2.247 1.00 0.00 C ATOM 251 O THR A 19 13.281 20.127 2.592 1.00 0.00 O ATOM 252 CB THR A 19 11.884 18.901 -0.159 1.00 0.00 C ATOM 253 OG1 THR A 19 11.869 17.804 -1.083 1.00 0.00 O ATOM 254 CG2 THR A 19 12.845 19.963 -0.661 1.00 0.00 C ATOM 0 H THR A 19 10.544 17.240 1.052 1.00 0.00 H new ATOM 0 HA THR A 19 13.287 17.997 1.223 1.00 0.00 H new ATOM 0 HB THR A 19 10.891 19.345 -0.086 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.022 17.318 -1.000 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.537 20.292 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.838 20.813 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.852 19.548 -0.713 1.00 0.00 H new ATOM 262 N ASN A 20 11.051 19.886 2.726 1.00 0.00 N ATOM 263 CA ASN A 20 10.874 21.001 3.648 1.00 0.00 C ATOM 264 C ASN A 20 11.248 20.620 5.074 1.00 0.00 C ATOM 265 O ASN A 20 11.771 21.446 5.822 1.00 0.00 O ATOM 266 CB ASN A 20 9.435 21.509 3.593 1.00 0.00 C ATOM 267 CG ASN A 20 9.171 22.355 2.363 1.00 0.00 C ATOM 268 OD1 ASN A 20 10.030 23.121 1.922 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.991 22.208 1.789 1.00 0.00 N ATOM 0 H ASN A 20 10.189 19.395 2.490 1.00 0.00 H new ATOM 0 HA ASN A 20 11.547 21.799 3.335 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.752 20.660 3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.225 22.096 4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.763 22.739 0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.308 21.563 2.186 1.00 0.00 H new ATOM 276 N ASN A 21 10.994 19.373 5.457 1.00 0.00 N ATOM 277 CA ASN A 21 11.360 18.913 6.792 1.00 0.00 C ATOM 278 C ASN A 21 12.875 18.838 6.936 1.00 0.00 C ATOM 279 O ASN A 21 13.415 18.925 8.040 1.00 0.00 O ATOM 280 CB ASN A 21 10.732 17.555 7.111 1.00 0.00 C ATOM 281 CG ASN A 21 9.269 17.650 7.505 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.801 18.685 7.989 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.542 16.559 7.321 1.00 0.00 N ATOM 0 H ASN A 21 10.542 18.671 4.871 1.00 0.00 H new ATOM 0 HA ASN A 21 10.971 19.639 7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.826 16.905 6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.290 17.085 7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.556 16.553 7.582 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.968 15.724 6.918 1.00 0.00 H new ATOM 290 N LEU A 22 13.559 18.699 5.810 1.00 0.00 N ATOM 291 CA LEU A 22 15.012 18.721 5.791 1.00 0.00 C ATOM 292 C LEU A 22 15.507 20.057 6.334 1.00 0.00 C ATOM 293 O LEU A 22 16.495 20.123 7.067 1.00 0.00 O ATOM 294 CB LEU A 22 15.522 18.502 4.361 1.00 0.00 C ATOM 295 CG LEU A 22 17.038 18.620 4.171 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.768 17.543 4.959 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.397 18.536 2.697 1.00 0.00 C ATOM 0 H LEU A 22 13.128 18.569 4.895 1.00 0.00 H new ATOM 0 HA LEU A 22 15.395 17.918 6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.209 17.511 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 22 15.035 19.225 3.706 1.00 0.00 H new ATOM 0 HG LEU A 22 17.354 19.592 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.842 17.647 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.538 17.649 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.447 16.560 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.477 18.622 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.063 17.579 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.908 19.347 2.157 1.00 0.00 H new ATOM 309 N VAL A 23 14.781 21.114 5.991 1.00 0.00 N ATOM 310 CA VAL A 23 15.113 22.458 6.427 1.00 0.00 C ATOM 311 C VAL A 23 14.894 22.609 7.929 1.00 0.00 C ATOM 312 O VAL A 23 15.754 23.128 8.638 1.00 0.00 O ATOM 313 CB VAL A 23 14.266 23.514 5.683 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.706 24.922 6.060 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.352 23.304 4.178 1.00 0.00 C ATOM 0 H VAL A 23 13.948 21.060 5.404 1.00 0.00 H new ATOM 0 HA VAL A 23 16.165 22.622 6.195 1.00 0.00 H new ATOM 0 HB VAL A 23 13.226 23.394 5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.096 25.649 5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.584 25.066 7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.754 25.060 5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.749 24.057 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.390 23.393 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.979 22.311 3.927 1.00 0.00 H new ATOM 325 N GLN A 24 13.751 22.129 8.417 1.00 0.00 N ATOM 326 CA GLN A 24 13.403 22.302 9.826 1.00 0.00 C ATOM 327 C GLN A 24 14.326 21.479 10.719 1.00 0.00 C ATOM 328 O GLN A 24 14.686 21.908 11.815 1.00 0.00 O ATOM 329 CB GLN A 24 11.920 21.966 10.091 1.00 0.00 C ATOM 330 CG GLN A 24 11.514 20.524 9.802 1.00 0.00 C ATOM 331 CD GLN A 24 11.861 19.536 10.908 1.00 0.00 C ATOM 332 OE1 GLN A 24 11.855 19.990 12.152 1.00 0.00 O flip ATOM 333 NE2 GLN A 24 12.127 18.366 10.642 1.00 0.00 N flip ATOM 0 H GLN A 24 13.058 21.623 7.865 1.00 0.00 H new ATOM 0 HA GLN A 24 13.544 23.354 10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.696 22.186 11.135 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.301 22.628 9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.439 20.491 9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.997 20.202 8.880 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.122 18.050 9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.352 17.711 11.391 1.00 0.00 H new ATOM 342 N CYS A 25 14.720 20.307 10.240 1.00 0.00 N ATOM 343 CA CYS A 25 15.608 19.440 10.996 1.00 0.00 C ATOM 344 C CYS A 25 16.998 20.056 11.088 1.00 0.00 C ATOM 345 O CYS A 25 17.590 20.120 12.167 1.00 0.00 O ATOM 346 CB CYS A 25 15.680 18.054 10.350 1.00 0.00 C ATOM 347 SG CYS A 25 16.857 16.916 11.152 1.00 0.00 S ATOM 0 H CYS A 25 14.438 19.937 9.332 1.00 0.00 H new ATOM 0 HA CYS A 25 15.209 19.331 12.005 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.687 17.605 10.369 1.00 0.00 H new ATOM 0 HB3 CYS A 25 15.958 18.168 9.302 1.00 0.00 H new ATOM 352 N ALA A 26 17.502 20.547 9.962 1.00 0.00 N ATOM 353 CA ALA A 26 18.819 21.163 9.925 1.00 0.00 C ATOM 354 C ALA A 26 18.823 22.492 10.672 1.00 0.00 C ATOM 355 O ALA A 26 19.866 22.945 11.145 1.00 0.00 O ATOM 356 CB ALA A 26 19.271 21.357 8.490 1.00 0.00 C ATOM 0 H ALA A 26 17.018 20.530 9.064 1.00 0.00 H new ATOM 0 HA ALA A 26 19.521 20.495 10.424 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.258 21.819 8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.317 20.390 7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.563 22.002 7.969 1.00 0.00 H new ATOM 362 N SER A 27 17.653 23.107 10.782 1.00 0.00 N ATOM 363 CA SER A 27 17.498 24.345 11.535 1.00 0.00 C ATOM 364 C SER A 27 17.645 24.083 13.033 1.00 0.00 C ATOM 365 O SER A 27 17.917 24.993 13.814 1.00 0.00 O ATOM 366 CB SER A 27 16.127 24.967 11.247 1.00 0.00 C ATOM 367 OG SER A 27 15.989 26.234 11.874 1.00 0.00 O ATOM 0 H SER A 27 16.791 22.766 10.356 1.00 0.00 H new ATOM 0 HA SER A 27 18.279 25.039 11.224 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.994 25.076 10.171 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.342 24.298 11.599 1.00 0.00 H new ATOM 0 HG SER A 27 16.862 26.679 11.909 1.00 0.00 H new ATOM 373 N ARG A 28 17.474 22.828 13.423 1.00 0.00 N ATOM 374 CA ARG A 28 17.533 22.442 14.824 1.00 0.00 C ATOM 375 C ARG A 28 18.741 21.553 15.075 1.00 0.00 C ATOM 376 O ARG A 28 18.789 20.803 16.050 1.00 0.00 O ATOM 377 CB ARG A 28 16.239 21.727 15.221 1.00 0.00 C ATOM 378 CG ARG A 28 15.015 22.620 15.128 1.00 0.00 C ATOM 379 CD ARG A 28 15.064 23.740 16.154 1.00 0.00 C ATOM 380 NE ARG A 28 14.046 24.759 15.908 1.00 0.00 N ATOM 381 CZ ARG A 28 13.390 25.410 16.866 1.00 0.00 C ATOM 382 NH1 ARG A 28 13.548 25.068 18.139 1.00 0.00 N ATOM 383 NH2 ARG A 28 12.561 26.393 16.546 1.00 0.00 N ATOM 0 H ARG A 28 17.292 22.055 12.783 1.00 0.00 H new ATOM 0 HA ARG A 28 17.637 23.337 15.437 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.098 20.859 14.577 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.334 21.355 16.241 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.949 23.045 14.127 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.116 22.024 15.281 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.925 23.323 17.151 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.051 24.203 16.137 1.00 0.00 H new ATOM 0 HE ARG A 28 13.824 24.986 14.939 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.175 24.303 18.387 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.043 25.571 18.869 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.427 26.649 15.568 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.057 26.894 17.278 1.00 0.00 H new ATOM 397 N SER A 29 19.721 21.652 14.190 1.00 0.00 N ATOM 398 CA SER A 29 20.951 20.892 14.335 1.00 0.00 C ATOM 399 C SER A 29 21.903 21.605 15.290 1.00 0.00 C ATOM 400 O SER A 29 22.510 20.986 16.164 1.00 0.00 O ATOM 401 CB SER A 29 21.628 20.704 12.974 1.00 0.00 C ATOM 402 OG SER A 29 21.963 21.957 12.391 1.00 0.00 O ATOM 0 H SER A 29 19.688 22.251 13.365 1.00 0.00 H new ATOM 0 HA SER A 29 20.703 19.913 14.744 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.529 20.102 13.093 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.964 20.155 12.307 1.00 0.00 H new ATOM 0 HG SER A 29 21.350 22.147 11.650 1.00 0.00 H new ATOM 408 N GLY A 30 22.009 22.919 15.123 1.00 0.00 N ATOM 409 CA GLY A 30 22.975 23.692 15.877 1.00 0.00 C ATOM 410 C GLY A 30 24.327 23.688 15.198 1.00 0.00 C ATOM 411 O GLY A 30 25.331 24.083 15.784 1.00 0.00 O ATOM 0 H GLY A 30 21.439 23.463 14.475 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.621 24.718 15.983 1.00 0.00 H new ATOM 0 HA3 GLY A 30 23.069 23.281 16.882 1.00 0.00 H new ATOM 415 N VAL A 31 24.341 23.231 13.954 1.00 0.00 N ATOM 416 CA VAL A 31 25.574 23.122 13.189 1.00 0.00 C ATOM 417 C VAL A 31 25.629 24.167 12.076 1.00 0.00 C ATOM 418 O VAL A 31 26.660 24.805 11.863 1.00 0.00 O ATOM 419 CB VAL A 31 25.720 21.711 12.571 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.021 21.587 11.797 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.636 20.639 13.647 1.00 0.00 C ATOM 0 H VAL A 31 23.507 22.928 13.451 1.00 0.00 H new ATOM 0 HA VAL A 31 26.398 23.298 13.881 1.00 0.00 H new ATOM 0 HB VAL A 31 24.895 21.564 11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.098 20.586 11.373 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.038 22.323 10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.862 21.763 12.468 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.741 19.655 13.190 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.435 20.789 14.373 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.671 20.704 14.151 1.00 0.00 H new ATOM 431 N LEU A 32 24.511 24.346 11.379 1.00 0.00 N ATOM 432 CA LEU A 32 24.473 25.232 10.219 1.00 0.00 C ATOM 433 C LEU A 32 24.407 26.694 10.631 1.00 0.00 C ATOM 434 O LEU A 32 24.263 27.020 11.809 1.00 0.00 O ATOM 435 CB LEU A 32 23.275 24.915 9.326 1.00 0.00 C ATOM 436 CG LEU A 32 23.190 23.477 8.822 1.00 0.00 C ATOM 437 CD1 LEU A 32 22.053 23.338 7.834 1.00 0.00 C ATOM 438 CD2 LEU A 32 24.498 23.038 8.187 1.00 0.00 C ATOM 0 H LEU A 32 23.623 23.892 11.595 1.00 0.00 H new ATOM 0 HA LEU A 32 25.396 25.062 9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.363 25.142 9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.300 25.582 8.464 1.00 0.00 H new ATOM 0 HG LEU A 32 22.999 22.829 9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 32 22.002 22.308 7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 32 21.114 23.602 8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.223 24.004 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 32 24.406 22.010 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 32 24.729 23.688 7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.299 23.101 8.924 1.00 0.00 H new ATOM 450 N THR A 33 24.501 27.564 9.644 1.00 0.00 N ATOM 451 CA THR A 33 24.462 28.996 9.878 1.00 0.00 C ATOM 452 C THR A 33 23.054 29.531 9.654 1.00 0.00 C ATOM 453 O THR A 33 22.190 28.826 9.121 1.00 0.00 O ATOM 454 CB THR A 33 25.439 29.737 8.943 1.00 0.00 C ATOM 455 OG1 THR A 33 24.960 29.700 7.592 1.00 0.00 O ATOM 456 CG2 THR A 33 26.816 29.099 8.991 1.00 0.00 C ATOM 0 H THR A 33 24.606 27.302 8.664 1.00 0.00 H new ATOM 0 HA THR A 33 24.761 29.171 10.912 1.00 0.00 H new ATOM 0 HB THR A 33 25.507 30.771 9.282 1.00 0.00 H new ATOM 0 HG1 THR A 33 25.657 30.031 6.988 1.00 0.00 H new ATOM 0 HG21 THR A 33 27.490 29.637 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.202 29.143 10.009 1.00 0.00 H new ATOM 0 HG23 THR A 33 26.746 28.059 8.674 1.00 0.00 H new ATOM 464 N ALA A 34 22.826 30.781 10.040 1.00 0.00 N ATOM 465 CA ALA A 34 21.534 31.414 9.831 1.00 0.00 C ATOM 466 C ALA A 34 21.290 31.607 8.339 1.00 0.00 C ATOM 467 O ALA A 34 20.148 31.600 7.873 1.00 0.00 O ATOM 468 CB ALA A 34 21.464 32.744 10.567 1.00 0.00 C ATOM 0 H ALA A 34 23.519 31.373 10.498 1.00 0.00 H new ATOM 0 HA ALA A 34 20.754 30.768 10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.490 33.202 10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.607 32.577 11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.246 33.407 10.196 1.00 0.00 H new ATOM 474 N ASP A 35 22.380 31.759 7.598 1.00 0.00 N ATOM 475 CA ASP A 35 22.317 31.867 6.148 1.00 0.00 C ATOM 476 C ASP A 35 21.927 30.528 5.545 1.00 0.00 C ATOM 477 O ASP A 35 20.968 30.435 4.783 1.00 0.00 O ATOM 478 CB ASP A 35 23.668 32.322 5.590 1.00 0.00 C ATOM 479 CG ASP A 35 23.732 32.238 4.078 1.00 0.00 C ATOM 480 OD1 ASP A 35 23.020 33.009 3.405 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.516 31.416 3.558 1.00 0.00 O ATOM 0 H ASP A 35 23.324 31.810 7.981 1.00 0.00 H new ATOM 0 HA ASP A 35 21.563 32.609 5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 35 23.858 33.349 5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.460 31.707 6.018 1.00 0.00 H new ATOM 486 N GLN A 36 22.660 29.490 5.928 1.00 0.00 N ATOM 487 CA GLN A 36 22.423 28.143 5.425 1.00 0.00 C ATOM 488 C GLN A 36 20.996 27.674 5.703 1.00 0.00 C ATOM 489 O GLN A 36 20.311 27.204 4.798 1.00 0.00 O ATOM 490 CB GLN A 36 23.430 27.173 6.045 1.00 0.00 C ATOM 491 CG GLN A 36 24.782 27.176 5.351 1.00 0.00 C ATOM 492 CD GLN A 36 25.815 26.346 6.084 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.792 26.248 7.309 1.00 0.00 O ATOM 494 NE2 GLN A 36 26.716 25.726 5.337 1.00 0.00 N ATOM 0 H GLN A 36 23.431 29.557 6.592 1.00 0.00 H new ATOM 0 HA GLN A 36 22.554 28.163 4.343 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.569 27.429 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.017 26.165 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 36 24.667 26.793 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.140 28.202 5.265 1.00 0.00 H new ATOM 0 HE21 GLN A 36 26.699 25.834 4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.426 25.140 5.776 1.00 0.00 H new ATOM 503 N MET A 37 20.543 27.827 6.943 1.00 0.00 N ATOM 504 CA MET A 37 19.222 27.342 7.341 1.00 0.00 C ATOM 505 C MET A 37 18.106 28.021 6.550 1.00 0.00 C ATOM 506 O MET A 37 17.113 27.385 6.195 1.00 0.00 O ATOM 507 CB MET A 37 18.990 27.553 8.837 1.00 0.00 C ATOM 508 CG MET A 37 19.897 26.714 9.723 1.00 0.00 C ATOM 509 SD MET A 37 19.551 26.933 11.481 1.00 0.00 S ATOM 510 CE MET A 37 19.925 28.671 11.703 1.00 0.00 C ATOM 0 H MET A 37 21.068 28.282 7.690 1.00 0.00 H new ATOM 0 HA MET A 37 19.198 26.275 7.121 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.140 28.606 9.073 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.951 27.319 9.071 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.781 25.662 9.462 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.936 26.978 9.526 1.00 0.00 H new ATOM 0 HE1 MET A 37 19.877 28.921 12.763 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.926 28.879 11.326 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.199 29.272 11.155 1.00 0.00 H new ATOM 520 N ASP A 38 18.270 29.307 6.265 1.00 0.00 N ATOM 521 CA ASP A 38 17.248 30.048 5.534 1.00 0.00 C ATOM 522 C ASP A 38 17.356 29.783 4.036 1.00 0.00 C ATOM 523 O ASP A 38 16.345 29.647 3.346 1.00 0.00 O ATOM 524 CB ASP A 38 17.356 31.547 5.814 1.00 0.00 C ATOM 525 CG ASP A 38 16.260 32.343 5.131 1.00 0.00 C ATOM 526 OD1 ASP A 38 15.079 32.197 5.515 1.00 0.00 O ATOM 527 OD2 ASP A 38 16.574 33.132 4.218 1.00 0.00 O ATOM 0 H ASP A 38 19.091 29.854 6.525 1.00 0.00 H new ATOM 0 HA ASP A 38 16.274 29.702 5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.309 31.717 6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.328 31.908 5.477 1.00 0.00 H new ATOM 532 N ASP A 39 18.587 29.683 3.544 1.00 0.00 N ATOM 533 CA ASP A 39 18.833 29.419 2.126 1.00 0.00 C ATOM 534 C ASP A 39 18.281 28.053 1.737 1.00 0.00 C ATOM 535 O ASP A 39 17.803 27.861 0.618 1.00 0.00 O ATOM 536 CB ASP A 39 20.329 29.496 1.812 1.00 0.00 C ATOM 537 CG ASP A 39 20.618 29.450 0.323 1.00 0.00 C ATOM 538 OD1 ASP A 39 20.265 30.417 -0.386 1.00 0.00 O ATOM 539 OD2 ASP A 39 21.204 28.454 -0.146 1.00 0.00 O ATOM 0 H ASP A 39 19.433 29.781 4.106 1.00 0.00 H new ATOM 0 HA ASP A 39 18.320 30.183 1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 39 20.737 30.417 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.842 28.669 2.303 1.00 0.00 H new ATOM 544 N MET A 40 18.322 27.113 2.680 1.00 0.00 N ATOM 545 CA MET A 40 17.744 25.786 2.468 1.00 0.00 C ATOM 546 C MET A 40 16.251 25.890 2.186 1.00 0.00 C ATOM 547 O MET A 40 15.701 25.139 1.378 1.00 0.00 O ATOM 548 CB MET A 40 17.981 24.885 3.685 1.00 0.00 C ATOM 549 CG MET A 40 19.431 24.477 3.880 1.00 0.00 C ATOM 550 SD MET A 40 19.663 23.383 5.295 1.00 0.00 S ATOM 551 CE MET A 40 18.735 21.946 4.770 1.00 0.00 C ATOM 0 H MET A 40 18.749 27.245 3.597 1.00 0.00 H new ATOM 0 HA MET A 40 18.238 25.342 1.604 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.637 25.403 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.372 23.987 3.583 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.788 23.979 2.979 1.00 0.00 H new ATOM 0 HG3 MET A 40 20.041 25.371 4.013 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.885 21.135 5.483 1.00 0.00 H new ATOM 0 HE2 MET A 40 17.675 22.195 4.722 1.00 0.00 H new ATOM 0 HE3 MET A 40 19.079 21.631 3.785 1.00 0.00 H new ATOM 561 N GLY A 41 15.599 26.833 2.849 1.00 0.00 N ATOM 562 CA GLY A 41 14.184 27.045 2.633 1.00 0.00 C ATOM 563 C GLY A 41 13.909 27.639 1.271 1.00 0.00 C ATOM 564 O GLY A 41 12.821 27.479 0.719 1.00 0.00 O ATOM 0 H GLY A 41 16.026 27.456 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.655 26.097 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.793 27.708 3.405 1.00 0.00 H new ATOM 568 N MET A 42 14.909 28.313 0.720 1.00 0.00 N ATOM 569 CA MET A 42 14.774 28.936 -0.585 1.00 0.00 C ATOM 570 C MET A 42 15.071 27.939 -1.701 1.00 0.00 C ATOM 571 O MET A 42 14.480 28.015 -2.777 1.00 0.00 O ATOM 572 CB MET A 42 15.692 30.155 -0.706 1.00 0.00 C ATOM 573 CG MET A 42 15.343 31.280 0.255 1.00 0.00 C ATOM 574 SD MET A 42 16.160 32.836 -0.160 1.00 0.00 S ATOM 575 CE MET A 42 17.880 32.416 0.105 1.00 0.00 C ATOM 0 H MET A 42 15.821 28.441 1.158 1.00 0.00 H new ATOM 0 HA MET A 42 13.741 29.269 -0.687 1.00 0.00 H new ATOM 0 HB2 MET A 42 16.721 29.843 -0.528 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.646 30.534 -1.727 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.263 31.431 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 42 15.623 30.987 1.267 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.514 33.191 -0.326 1.00 0.00 H new ATOM 0 HE2 MET A 42 18.076 32.341 1.175 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.099 31.461 -0.372 1.00 0.00 H new ATOM 585 N MET A 43 15.968 26.989 -1.443 1.00 0.00 N ATOM 586 CA MET A 43 16.320 25.995 -2.449 1.00 0.00 C ATOM 587 C MET A 43 15.142 25.047 -2.656 1.00 0.00 C ATOM 588 O MET A 43 14.890 24.574 -3.765 1.00 0.00 O ATOM 589 CB MET A 43 17.568 25.214 -2.018 1.00 0.00 C ATOM 590 CG MET A 43 17.241 23.993 -1.188 1.00 0.00 C ATOM 591 SD MET A 43 18.589 23.441 -0.142 1.00 0.00 S ATOM 592 CE MET A 43 17.615 22.523 1.036 1.00 0.00 C ATOM 0 H MET A 43 16.459 26.889 -0.554 1.00 0.00 H new ATOM 0 HA MET A 43 16.545 26.499 -3.389 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.122 24.906 -2.905 1.00 0.00 H new ATOM 0 HB3 MET A 43 18.222 25.872 -1.446 1.00 0.00 H new ATOM 0 HG2 MET A 43 16.376 24.212 -0.563 1.00 0.00 H new ATOM 0 HG3 MET A 43 16.955 23.179 -1.854 1.00 0.00 H new ATOM 0 HE1 MET A 43 18.272 21.904 1.647 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.070 23.216 1.677 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.907 21.887 0.505 1.00 0.00 H new ATOM 602 N ALA A 44 14.406 24.799 -1.569 1.00 0.00 N ATOM 603 CA ALA A 44 13.241 23.925 -1.600 1.00 0.00 C ATOM 604 C ALA A 44 12.173 24.462 -2.547 1.00 0.00 C ATOM 605 O ALA A 44 11.405 23.693 -3.128 1.00 0.00 O ATOM 606 CB ALA A 44 12.672 23.759 -0.196 1.00 0.00 C ATOM 0 H ALA A 44 14.603 25.198 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 44 13.558 22.950 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.802 23.104 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.430 23.321 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.377 24.733 0.195 1.00 0.00 H new ATOM 612 N ASP A 45 12.139 25.782 -2.707 1.00 0.00 N ATOM 613 CA ASP A 45 11.176 26.424 -3.596 1.00 0.00 C ATOM 614 C ASP A 45 11.385 25.974 -5.032 1.00 0.00 C ATOM 615 O ASP A 45 10.436 25.605 -5.726 1.00 0.00 O ATOM 616 CB ASP A 45 11.281 27.946 -3.505 1.00 0.00 C ATOM 617 CG ASP A 45 10.319 28.641 -4.447 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.092 28.519 -4.246 1.00 0.00 O ATOM 619 OD2 ASP A 45 10.786 29.312 -5.392 1.00 0.00 O ATOM 0 H ASP A 45 12.768 26.429 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 45 10.178 26.125 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.078 28.262 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.301 28.253 -3.737 1.00 0.00 H new ATOM 624 N SER A 46 12.633 25.977 -5.464 1.00 0.00 N ATOM 625 CA SER A 46 12.988 25.560 -6.787 1.00 0.00 C ATOM 626 C SER A 46 12.687 24.075 -6.991 1.00 0.00 C ATOM 627 O SER A 46 12.407 23.634 -8.107 1.00 0.00 O ATOM 628 CB SER A 46 14.462 25.850 -6.971 1.00 0.00 C ATOM 629 OG SER A 46 14.735 27.225 -6.744 1.00 0.00 O ATOM 0 H SER A 46 13.426 26.273 -4.895 1.00 0.00 H new ATOM 0 HA SER A 46 12.401 26.102 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.047 25.240 -6.283 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.769 25.575 -7.980 1.00 0.00 H new ATOM 0 HG SER A 46 15.693 27.393 -6.866 1.00 0.00 H new ATOM 635 N VAL A 47 12.729 23.313 -5.901 1.00 0.00 N ATOM 636 CA VAL A 47 12.417 21.891 -5.951 1.00 0.00 C ATOM 637 C VAL A 47 10.952 21.670 -6.320 1.00 0.00 C ATOM 638 O VAL A 47 10.650 20.971 -7.289 1.00 0.00 O ATOM 639 CB VAL A 47 12.722 21.188 -4.609 1.00 0.00 C ATOM 640 CG1 VAL A 47 12.370 19.707 -4.682 1.00 0.00 C ATOM 641 CG2 VAL A 47 14.185 21.369 -4.230 1.00 0.00 C ATOM 0 H VAL A 47 12.976 23.658 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 47 13.054 21.453 -6.720 1.00 0.00 H new ATOM 0 HB VAL A 47 12.106 21.648 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.593 19.232 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.309 19.596 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.956 19.232 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.380 20.867 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.818 20.938 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.406 22.432 -4.130 1.00 0.00 H new ATOM 651 N ASN A 48 10.040 22.283 -5.569 1.00 0.00 N ATOM 652 CA ASN A 48 8.622 22.106 -5.832 1.00 0.00 C ATOM 653 C ASN A 48 8.210 22.808 -7.114 1.00 0.00 C ATOM 654 O ASN A 48 7.272 22.383 -7.777 1.00 0.00 O ATOM 655 CB ASN A 48 7.743 22.583 -4.670 1.00 0.00 C ATOM 656 CG ASN A 48 7.956 24.032 -4.283 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.612 24.245 -3.155 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 7.485 24.947 -4.960 1.00 0.00 N flip ATOM 0 H ASN A 48 10.257 22.898 -4.785 1.00 0.00 H new ATOM 0 HA ASN A 48 8.465 21.033 -5.946 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.696 22.441 -4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.937 21.954 -3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.986 24.737 -5.824 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.594 25.915 -4.656 1.00 0.00 H new ATOM 665 N SER A 49 8.913 23.873 -7.472 1.00 0.00 N ATOM 666 CA SER A 49 8.633 24.575 -8.714 1.00 0.00 C ATOM 667 C SER A 49 8.808 23.626 -9.900 1.00 0.00 C ATOM 668 O SER A 49 7.988 23.600 -10.820 1.00 0.00 O ATOM 669 CB SER A 49 9.558 25.786 -8.861 1.00 0.00 C ATOM 670 OG SER A 49 9.190 26.583 -9.975 1.00 0.00 O ATOM 0 H SER A 49 9.677 24.267 -6.923 1.00 0.00 H new ATOM 0 HA SER A 49 7.602 24.929 -8.694 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.521 26.387 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.588 25.448 -8.977 1.00 0.00 H new ATOM 0 HG SER A 49 9.797 27.350 -10.043 1.00 0.00 H new ATOM 676 N GLN A 50 9.867 22.830 -9.862 1.00 0.00 N ATOM 677 CA GLN A 50 10.134 21.867 -10.920 1.00 0.00 C ATOM 678 C GLN A 50 9.222 20.648 -10.784 1.00 0.00 C ATOM 679 O GLN A 50 8.843 20.030 -11.776 1.00 0.00 O ATOM 680 CB GLN A 50 11.606 21.455 -10.890 1.00 0.00 C ATOM 681 CG GLN A 50 12.553 22.611 -11.176 1.00 0.00 C ATOM 682 CD GLN A 50 14.010 22.256 -10.959 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.689 21.789 -11.874 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.506 22.493 -9.752 1.00 0.00 N ATOM 0 H GLN A 50 10.555 22.832 -9.109 1.00 0.00 H new ATOM 0 HA GLN A 50 9.924 22.334 -11.882 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.840 21.034 -9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.772 20.667 -11.624 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.415 22.939 -12.206 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.292 23.453 -10.536 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.908 22.881 -9.022 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.485 22.287 -9.554 1.00 0.00 H new ATOM 693 N MET A 51 8.856 20.327 -9.548 1.00 0.00 N ATOM 694 CA MET A 51 7.963 19.205 -9.270 1.00 0.00 C ATOM 695 C MET A 51 6.540 19.509 -9.742 1.00 0.00 C ATOM 696 O MET A 51 5.822 18.621 -10.193 1.00 0.00 O ATOM 697 CB MET A 51 7.968 18.886 -7.774 1.00 0.00 C ATOM 698 CG MET A 51 7.165 17.649 -7.403 1.00 0.00 C ATOM 699 SD MET A 51 7.151 17.346 -5.625 1.00 0.00 S ATOM 700 CE MET A 51 6.380 18.848 -5.029 1.00 0.00 C ATOM 0 H MET A 51 9.166 20.831 -8.717 1.00 0.00 H new ATOM 0 HA MET A 51 8.325 18.336 -9.819 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.998 18.750 -7.445 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.570 19.742 -7.229 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.141 17.764 -7.757 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.583 16.781 -7.913 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.980 18.680 -4.029 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.120 19.648 -4.994 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.570 19.132 -5.700 1.00 0.00 H new ATOM 710 N GLN A 52 6.134 20.770 -9.640 1.00 0.00 N ATOM 711 CA GLN A 52 4.832 21.194 -10.144 1.00 0.00 C ATOM 712 C GLN A 52 4.792 21.085 -11.663 1.00 0.00 C ATOM 713 O GLN A 52 3.736 20.875 -12.258 1.00 0.00 O ATOM 714 CB GLN A 52 4.522 22.629 -9.707 1.00 0.00 C ATOM 715 CG GLN A 52 4.259 22.767 -8.216 1.00 0.00 C ATOM 716 CD GLN A 52 4.001 24.199 -7.794 1.00 0.00 C ATOM 717 OE1 GLN A 52 5.056 24.908 -7.418 1.00 0.00 O flip ATOM 718 NE2 GLN A 52 2.862 24.664 -7.793 1.00 0.00 N flip ATOM 0 H GLN A 52 6.686 21.515 -9.214 1.00 0.00 H new ATOM 0 HA GLN A 52 4.072 20.536 -9.724 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.358 23.272 -9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.651 22.987 -10.256 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.400 22.153 -7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.115 22.379 -7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.075 24.087 -8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.705 25.627 -7.496 1.00 0.00 H new ATOM 727 N LYS A 53 5.957 21.208 -12.281 1.00 0.00 N ATOM 728 CA LYS A 53 6.081 21.058 -13.722 1.00 0.00 C ATOM 729 C LYS A 53 6.343 19.597 -14.091 1.00 0.00 C ATOM 730 O LYS A 53 6.672 19.279 -15.235 1.00 0.00 O ATOM 731 CB LYS A 53 7.196 21.965 -14.254 1.00 0.00 C ATOM 732 CG LYS A 53 6.848 23.449 -14.207 1.00 0.00 C ATOM 733 CD LYS A 53 7.948 24.313 -14.807 1.00 0.00 C ATOM 734 CE LYS A 53 9.072 24.583 -13.818 1.00 0.00 C ATOM 735 NZ LYS A 53 8.656 25.534 -12.749 1.00 0.00 N ATOM 0 H LYS A 53 6.835 21.413 -11.803 1.00 0.00 H new ATOM 0 HA LYS A 53 5.142 21.358 -14.187 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.101 21.794 -13.672 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.421 21.685 -15.283 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.917 23.620 -14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.676 23.748 -13.173 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.354 23.819 -15.690 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.523 25.260 -15.139 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.390 23.644 -13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.933 24.988 -14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.472 26.111 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.903 26.154 -13.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.302 25.001 -11.929 1.00 0.00 H new ATOM 749 N MET A 54 6.191 18.715 -13.111 1.00 0.00 N ATOM 750 CA MET A 54 6.305 17.281 -13.338 1.00 0.00 C ATOM 751 C MET A 54 4.943 16.704 -13.710 1.00 0.00 C ATOM 752 O MET A 54 4.825 15.913 -14.649 1.00 0.00 O ATOM 753 CB MET A 54 6.847 16.585 -12.084 1.00 0.00 C ATOM 754 CG MET A 54 6.868 15.068 -12.177 1.00 0.00 C ATOM 755 SD MET A 54 7.211 14.276 -10.591 1.00 0.00 S ATOM 756 CE MET A 54 8.839 14.908 -10.212 1.00 0.00 C ATOM 0 H MET A 54 5.987 18.971 -12.145 1.00 0.00 H new ATOM 0 HA MET A 54 7.000 17.109 -14.160 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.859 16.941 -11.893 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.239 16.878 -11.228 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.906 14.718 -12.553 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.623 14.763 -12.901 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.429 14.128 -9.730 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.332 15.219 -11.133 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.750 15.763 -9.542 1.00 0.00 H new ATOM 766 N GLY A 55 3.920 17.112 -12.971 1.00 0.00 N ATOM 767 CA GLY A 55 2.575 16.647 -13.236 1.00 0.00 C ATOM 768 C GLY A 55 2.074 15.702 -12.161 1.00 0.00 C ATOM 769 O GLY A 55 2.860 15.223 -11.345 1.00 0.00 O ATOM 0 H GLY A 55 4.000 17.761 -12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.904 17.503 -13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.551 16.142 -14.202 1.00 0.00 H new ATOM 773 N PRO A 56 0.762 15.410 -12.139 1.00 0.00 N ATOM 774 CA PRO A 56 0.156 14.500 -11.154 1.00 0.00 C ATOM 775 C PRO A 56 0.388 13.032 -11.494 1.00 0.00 C ATOM 776 O PRO A 56 -0.325 12.152 -11.011 1.00 0.00 O ATOM 777 CB PRO A 56 -1.333 14.824 -11.253 1.00 0.00 C ATOM 778 CG PRO A 56 -1.527 15.286 -12.658 1.00 0.00 C ATOM 779 CD PRO A 56 -0.243 15.959 -13.069 1.00 0.00 C ATOM 0 HA PRO A 56 0.583 14.637 -10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.944 13.948 -11.036 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.619 15.597 -10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.752 14.446 -13.315 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.367 15.978 -12.726 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.010 15.737 -14.106 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.316 17.043 -12.984 1.00 0.00 H new ATOM 787 N ASN A 57 1.389 12.778 -12.319 1.00 0.00 N ATOM 788 CA ASN A 57 1.676 11.436 -12.792 1.00 0.00 C ATOM 789 C ASN A 57 3.046 11.424 -13.460 1.00 0.00 C ATOM 790 O ASN A 57 3.159 11.594 -14.676 1.00 0.00 O ATOM 791 CB ASN A 57 0.586 10.989 -13.764 1.00 0.00 C ATOM 792 CG ASN A 57 0.141 9.563 -13.524 1.00 0.00 C ATOM 793 OD1 ASN A 57 0.945 8.686 -13.207 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.158 9.328 -13.637 1.00 0.00 N ATOM 0 H ASN A 57 2.022 13.492 -12.678 1.00 0.00 H new ATOM 0 HA ASN A 57 1.690 10.738 -11.955 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.273 11.654 -13.672 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.954 11.084 -14.786 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.524 8.393 -13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.792 10.082 -13.902 1.00 0.00 H new ATOM 801 N PRO A 58 4.105 11.267 -12.653 1.00 0.00 N ATOM 802 CA PRO A 58 5.491 11.434 -13.106 1.00 0.00 C ATOM 803 C PRO A 58 5.955 10.384 -14.114 1.00 0.00 C ATOM 804 O PRO A 58 5.877 9.176 -13.860 1.00 0.00 O ATOM 805 CB PRO A 58 6.309 11.307 -11.819 1.00 0.00 C ATOM 806 CG PRO A 58 5.445 10.536 -10.886 1.00 0.00 C ATOM 807 CD PRO A 58 4.033 10.918 -11.224 1.00 0.00 C ATOM 0 HA PRO A 58 5.605 12.382 -13.631 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.252 10.791 -12.000 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.555 12.287 -11.410 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.599 9.464 -11.006 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.677 10.777 -9.849 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.341 10.095 -11.046 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.690 11.759 -10.622 1.00 0.00 H new ATOM 815 N PRO A 59 6.423 10.837 -15.288 1.00 0.00 N ATOM 816 CA PRO A 59 7.141 9.992 -16.233 1.00 0.00 C ATOM 817 C PRO A 59 8.582 9.779 -15.773 1.00 0.00 C ATOM 818 O PRO A 59 9.123 10.593 -15.020 1.00 0.00 O ATOM 819 CB PRO A 59 7.114 10.785 -17.550 1.00 0.00 C ATOM 820 CG PRO A 59 6.276 11.998 -17.289 1.00 0.00 C ATOM 821 CD PRO A 59 6.257 12.198 -15.800 1.00 0.00 C ATOM 0 HA PRO A 59 6.693 9.003 -16.329 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.122 11.066 -17.856 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.691 10.186 -18.357 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.692 12.871 -17.791 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.266 11.860 -17.674 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.061 12.855 -15.470 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.322 12.645 -15.464 1.00 0.00 H new ATOM 829 N GLN A 60 9.206 8.705 -16.240 1.00 0.00 N ATOM 830 CA GLN A 60 10.550 8.340 -15.793 1.00 0.00 C ATOM 831 C GLN A 60 11.577 9.441 -16.071 1.00 0.00 C ATOM 832 O GLN A 60 12.508 9.635 -15.287 1.00 0.00 O ATOM 833 CB GLN A 60 10.986 7.006 -16.422 1.00 0.00 C ATOM 834 CG GLN A 60 10.807 6.934 -17.933 1.00 0.00 C ATOM 835 CD GLN A 60 12.078 7.222 -18.710 1.00 0.00 C ATOM 836 OE1 GLN A 60 12.951 7.961 -18.260 1.00 0.00 O ATOM 837 NE2 GLN A 60 12.179 6.648 -19.896 1.00 0.00 N ATOM 0 H GLN A 60 8.805 8.069 -16.929 1.00 0.00 H new ATOM 0 HA GLN A 60 10.507 8.218 -14.711 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.035 6.832 -16.184 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.417 6.198 -15.962 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.445 5.941 -18.201 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.038 7.646 -18.234 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.432 6.041 -20.234 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.004 6.812 -20.473 1.00 0.00 H new ATOM 846 N HIS A 61 11.389 10.190 -17.158 1.00 0.00 N ATOM 847 CA HIS A 61 12.341 11.243 -17.522 1.00 0.00 C ATOM 848 C HIS A 61 12.270 12.417 -16.544 1.00 0.00 C ATOM 849 O HIS A 61 13.138 13.287 -16.540 1.00 0.00 O ATOM 850 CB HIS A 61 12.133 11.723 -18.971 1.00 0.00 C ATOM 851 CG HIS A 61 10.831 12.420 -19.241 1.00 0.00 C ATOM 852 ND1 HIS A 61 9.805 11.840 -19.946 1.00 0.00 N ATOM 853 CD2 HIS A 61 10.408 13.668 -18.928 1.00 0.00 C ATOM 854 CE1 HIS A 61 8.810 12.696 -20.059 1.00 0.00 C ATOM 855 NE2 HIS A 61 9.147 13.816 -19.448 1.00 0.00 N ATOM 0 H HIS A 61 10.598 10.091 -17.795 1.00 0.00 H new ATOM 0 HA HIS A 61 13.339 10.810 -17.459 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.948 12.399 -19.232 1.00 0.00 H new ATOM 0 HB3 HIS A 61 12.208 10.862 -19.635 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.961 14.410 -18.372 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.875 12.512 -20.567 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.567 14.652 -19.375 1.00 0.00 H new ATOM 863 N ARG A 62 11.233 12.442 -15.717 1.00 0.00 N ATOM 864 CA ARG A 62 11.129 13.452 -14.674 1.00 0.00 C ATOM 865 C ARG A 62 11.854 12.977 -13.424 1.00 0.00 C ATOM 866 O ARG A 62 12.593 13.734 -12.800 1.00 0.00 O ATOM 867 CB ARG A 62 9.666 13.761 -14.346 1.00 0.00 C ATOM 868 CG ARG A 62 8.934 14.539 -15.430 1.00 0.00 C ATOM 869 CD ARG A 62 9.553 15.907 -15.652 1.00 0.00 C ATOM 870 NE ARG A 62 8.768 16.719 -16.581 1.00 0.00 N ATOM 871 CZ ARG A 62 9.278 17.686 -17.345 1.00 0.00 C ATOM 872 NH1 ARG A 62 10.583 17.940 -17.328 1.00 0.00 N ATOM 873 NH2 ARG A 62 8.480 18.398 -18.131 1.00 0.00 N ATOM 0 H ARG A 62 10.458 11.780 -15.748 1.00 0.00 H new ATOM 0 HA ARG A 62 11.593 14.368 -15.038 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.139 12.823 -14.169 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.626 14.329 -13.417 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.956 13.974 -16.362 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.886 14.654 -15.151 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.636 16.427 -14.697 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.565 15.789 -16.040 1.00 0.00 H new ATOM 0 HE ARG A 62 7.767 16.534 -16.649 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.201 17.394 -16.728 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.966 18.681 -17.915 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.479 18.205 -18.150 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.868 19.138 -18.716 1.00 0.00 H new ATOM 887 N LEU A 63 11.657 11.708 -13.084 1.00 0.00 N ATOM 888 CA LEU A 63 12.265 11.117 -11.896 1.00 0.00 C ATOM 889 C LEU A 63 13.786 11.155 -11.990 1.00 0.00 C ATOM 890 O LEU A 63 14.473 11.506 -11.025 1.00 0.00 O ATOM 891 CB LEU A 63 11.804 9.667 -11.741 1.00 0.00 C ATOM 892 CG LEU A 63 10.289 9.457 -11.723 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.966 7.973 -11.668 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.663 10.180 -10.542 1.00 0.00 C ATOM 0 H LEU A 63 11.076 11.063 -13.619 1.00 0.00 H new ATOM 0 HA LEU A 63 11.951 11.698 -11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.225 9.081 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.220 9.269 -10.815 1.00 0.00 H new ATOM 0 HG LEU A 63 9.870 9.873 -12.640 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.885 7.836 -11.656 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.385 7.477 -12.544 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.397 7.540 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.585 10.019 -10.546 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.084 9.793 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.870 11.247 -10.617 1.00 0.00 H new ATOM 906 N ARG A 64 14.300 10.807 -13.164 1.00 0.00 N ATOM 907 CA ARG A 64 15.740 10.743 -13.394 1.00 0.00 C ATOM 908 C ARG A 64 16.398 12.110 -13.258 1.00 0.00 C ATOM 909 O ARG A 64 17.553 12.212 -12.855 1.00 0.00 O ATOM 910 CB ARG A 64 16.024 10.164 -14.774 1.00 0.00 C ATOM 911 CG ARG A 64 15.633 8.704 -14.898 1.00 0.00 C ATOM 912 CD ARG A 64 15.937 8.163 -16.280 1.00 0.00 C ATOM 913 NE ARG A 64 15.668 6.728 -16.374 1.00 0.00 N ATOM 914 CZ ARG A 64 15.612 6.048 -17.516 1.00 0.00 C ATOM 915 NH1 ARG A 64 15.750 6.676 -18.679 1.00 0.00 N ATOM 916 NH2 ARG A 64 15.392 4.738 -17.493 1.00 0.00 N ATOM 0 H ARG A 64 13.736 10.563 -13.978 1.00 0.00 H new ATOM 0 HA ARG A 64 16.167 10.093 -12.630 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.484 10.744 -15.523 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.086 10.270 -14.994 1.00 0.00 H new ATOM 0 HG2 ARG A 64 16.169 8.118 -14.151 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.569 8.592 -14.688 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.336 8.694 -17.018 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.982 8.353 -16.523 1.00 0.00 H new ATOM 0 HE ARG A 64 15.513 6.215 -15.506 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.900 7.685 -18.699 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.706 6.149 -19.551 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.267 4.257 -16.602 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.348 4.213 -18.366 1.00 0.00 H new ATOM 930 N ALA A 65 15.660 13.156 -13.580 1.00 0.00 N ATOM 931 CA ALA A 65 16.195 14.501 -13.500 1.00 0.00 C ATOM 932 C ALA A 65 16.042 15.070 -12.095 1.00 0.00 C ATOM 933 O ALA A 65 16.975 15.652 -11.547 1.00 0.00 O ATOM 934 CB ALA A 65 15.510 15.402 -14.515 1.00 0.00 C ATOM 0 H ALA A 65 14.692 13.100 -13.898 1.00 0.00 H new ATOM 0 HA ALA A 65 17.259 14.457 -13.731 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.921 16.409 -14.444 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.677 15.012 -15.519 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.440 15.432 -14.311 1.00 0.00 H new ATOM 940 N MET A 66 14.871 14.866 -11.501 1.00 0.00 N ATOM 941 CA MET A 66 14.539 15.488 -10.221 1.00 0.00 C ATOM 942 C MET A 66 15.438 15.018 -9.087 1.00 0.00 C ATOM 943 O MET A 66 15.790 15.809 -8.211 1.00 0.00 O ATOM 944 CB MET A 66 13.075 15.237 -9.858 1.00 0.00 C ATOM 945 CG MET A 66 12.093 15.976 -10.753 1.00 0.00 C ATOM 946 SD MET A 66 12.326 17.767 -10.732 1.00 0.00 S ATOM 947 CE MET A 66 11.955 18.139 -9.020 1.00 0.00 C ATOM 0 H MET A 66 14.134 14.274 -11.885 1.00 0.00 H new ATOM 0 HA MET A 66 14.705 16.558 -10.348 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.873 14.167 -9.916 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.909 15.538 -8.824 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.199 15.614 -11.776 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.076 15.744 -10.436 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.334 19.033 -8.968 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.422 17.300 -8.573 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.884 18.311 -8.475 1.00 0.00 H new ATOM 957 N ASN A 67 15.824 13.744 -9.095 1.00 0.00 N ATOM 958 CA ASN A 67 16.665 13.220 -8.023 1.00 0.00 C ATOM 959 C ASN A 67 18.029 13.903 -8.032 1.00 0.00 C ATOM 960 O ASN A 67 18.608 14.160 -6.981 1.00 0.00 O ATOM 961 CB ASN A 67 16.834 11.693 -8.112 1.00 0.00 C ATOM 962 CG ASN A 67 17.721 11.238 -9.258 1.00 0.00 C ATOM 963 OD1 ASN A 67 18.944 11.191 -9.136 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.110 10.880 -10.370 1.00 0.00 N ATOM 0 H ASN A 67 15.574 13.068 -9.816 1.00 0.00 H new ATOM 0 HA ASN A 67 16.160 13.439 -7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.253 11.328 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.851 11.234 -8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.654 10.550 -11.167 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.093 10.933 -10.433 1.00 0.00 H new ATOM 971 N THR A 68 18.518 14.223 -9.221 1.00 0.00 N ATOM 972 CA THR A 68 19.805 14.878 -9.365 1.00 0.00 C ATOM 973 C THR A 68 19.655 16.388 -9.191 1.00 0.00 C ATOM 974 O THR A 68 20.491 17.039 -8.566 1.00 0.00 O ATOM 975 CB THR A 68 20.419 14.565 -10.742 1.00 0.00 C ATOM 976 OG1 THR A 68 20.398 13.147 -10.962 1.00 0.00 O ATOM 977 CG2 THR A 68 21.849 15.075 -10.839 1.00 0.00 C ATOM 0 H THR A 68 18.039 14.038 -10.102 1.00 0.00 H new ATOM 0 HA THR A 68 20.472 14.498 -8.591 1.00 0.00 H new ATOM 0 HB THR A 68 19.826 15.071 -11.504 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.001 12.701 -10.185 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.254 14.838 -11.823 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.861 16.155 -10.692 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.458 14.598 -10.072 1.00 0.00 H new ATOM 985 N ALA A 69 18.566 16.929 -9.728 1.00 0.00 N ATOM 986 CA ALA A 69 18.290 18.357 -9.644 1.00 0.00 C ATOM 987 C ALA A 69 18.154 18.813 -8.194 1.00 0.00 C ATOM 988 O ALA A 69 18.657 19.872 -7.819 1.00 0.00 O ATOM 989 CB ALA A 69 17.026 18.694 -10.418 1.00 0.00 C ATOM 0 H ALA A 69 17.856 16.395 -10.229 1.00 0.00 H new ATOM 0 HA ALA A 69 19.134 18.887 -10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.831 19.764 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 69 17.155 18.417 -11.464 1.00 0.00 H new ATOM 0 HB3 ALA A 69 16.184 18.143 -9.998 1.00 0.00 H new ATOM 995 N MET A 70 17.469 18.011 -7.384 1.00 0.00 N ATOM 996 CA MET A 70 17.285 18.331 -5.973 1.00 0.00 C ATOM 997 C MET A 70 18.599 18.135 -5.223 1.00 0.00 C ATOM 998 O MET A 70 18.998 18.977 -4.418 1.00 0.00 O ATOM 999 CB MET A 70 16.176 17.455 -5.371 1.00 0.00 C ATOM 1000 CG MET A 70 15.703 17.903 -3.993 1.00 0.00 C ATOM 1001 SD MET A 70 16.732 17.284 -2.646 1.00 0.00 S ATOM 1002 CE MET A 70 16.164 15.593 -2.530 1.00 0.00 C ATOM 0 H MET A 70 17.034 17.137 -7.680 1.00 0.00 H new ATOM 0 HA MET A 70 16.983 19.374 -5.878 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.324 17.449 -6.051 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.536 16.429 -5.303 1.00 0.00 H new ATOM 0 HG2 MET A 70 15.689 18.992 -3.958 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.678 17.566 -3.842 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.975 15.343 -1.486 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.244 15.478 -3.103 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.926 14.925 -2.931 1.00 0.00 H new ATOM 1012 N ALA A 71 19.281 17.035 -5.530 1.00 0.00 N ATOM 1013 CA ALA A 71 20.559 16.710 -4.899 1.00 0.00 C ATOM 1014 C ALA A 71 21.595 17.809 -5.136 1.00 0.00 C ATOM 1015 O ALA A 71 22.451 18.064 -4.290 1.00 0.00 O ATOM 1016 CB ALA A 71 21.080 15.381 -5.424 1.00 0.00 C ATOM 0 H ALA A 71 18.968 16.349 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 71 20.391 16.632 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.032 15.149 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.361 14.594 -5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.221 15.446 -6.503 1.00 0.00 H new ATOM 1022 N ALA A 72 21.508 18.457 -6.289 1.00 0.00 N ATOM 1023 CA ALA A 72 22.439 19.523 -6.639 1.00 0.00 C ATOM 1024 C ALA A 72 22.189 20.779 -5.810 1.00 0.00 C ATOM 1025 O ALA A 72 23.129 21.405 -5.318 1.00 0.00 O ATOM 1026 CB ALA A 72 22.346 19.845 -8.124 1.00 0.00 C ATOM 0 H ALA A 72 20.802 18.264 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 72 23.445 19.169 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.048 20.643 -8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.591 18.956 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.333 20.167 -8.364 1.00 0.00 H new ATOM 1032 N GLU A 73 20.922 21.131 -5.632 1.00 0.00 N ATOM 1033 CA GLU A 73 20.571 22.373 -4.955 1.00 0.00 C ATOM 1034 C GLU A 73 20.751 22.267 -3.443 1.00 0.00 C ATOM 1035 O GLU A 73 21.081 23.256 -2.787 1.00 0.00 O ATOM 1036 CB GLU A 73 19.147 22.801 -5.308 1.00 0.00 C ATOM 1037 CG GLU A 73 18.979 23.102 -6.789 1.00 0.00 C ATOM 1038 CD GLU A 73 17.764 23.953 -7.095 1.00 0.00 C ATOM 1039 OE1 GLU A 73 17.693 25.090 -6.587 1.00 0.00 O ATOM 1040 OE2 GLU A 73 16.890 23.499 -7.865 1.00 0.00 O ATOM 0 H GLU A 73 20.124 20.578 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 73 21.258 23.142 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.452 22.012 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 73 18.883 23.686 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.871 23.612 -7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.903 22.163 -7.337 1.00 0.00 H new ATOM 1047 N VAL A 74 20.560 21.074 -2.889 1.00 0.00 N ATOM 1048 CA VAL A 74 20.797 20.866 -1.464 1.00 0.00 C ATOM 1049 C VAL A 74 22.294 20.826 -1.175 1.00 0.00 C ATOM 1050 O VAL A 74 22.734 21.100 -0.060 1.00 0.00 O ATOM 1051 CB VAL A 74 20.139 19.573 -0.934 1.00 0.00 C ATOM 1052 CG1 VAL A 74 18.627 19.661 -1.045 1.00 0.00 C ATOM 1053 CG2 VAL A 74 20.656 18.348 -1.667 1.00 0.00 C ATOM 0 H VAL A 74 20.246 20.247 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 74 20.338 21.708 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 74 20.407 19.470 0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.180 18.741 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.268 20.507 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.346 19.798 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 74 20.173 17.455 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 74 20.433 18.439 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 74 21.734 18.269 -1.528 1.00 0.00 H new ATOM 1063 N ALA A 75 23.070 20.498 -2.198 1.00 0.00 N ATOM 1064 CA ALA A 75 24.520 20.448 -2.078 1.00 0.00 C ATOM 1065 C ALA A 75 25.115 21.850 -2.056 1.00 0.00 C ATOM 1066 O ALA A 75 26.245 22.045 -1.615 1.00 0.00 O ATOM 1067 CB ALA A 75 25.118 19.639 -3.220 1.00 0.00 C ATOM 0 H ALA A 75 22.717 20.261 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 75 24.765 19.960 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.203 19.611 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.724 18.623 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 75 24.856 20.103 -4.171 1.00 0.00 H new ATOM 1073 N GLU A 76 24.341 22.822 -2.521 1.00 0.00 N ATOM 1074 CA GLU A 76 24.792 24.206 -2.587 1.00 0.00 C ATOM 1075 C GLU A 76 25.127 24.745 -1.200 1.00 0.00 C ATOM 1076 O GLU A 76 26.199 25.307 -0.989 1.00 0.00 O ATOM 1077 CB GLU A 76 23.727 25.080 -3.242 1.00 0.00 C ATOM 1078 CG GLU A 76 23.534 24.794 -4.719 1.00 0.00 C ATOM 1079 CD GLU A 76 24.810 24.968 -5.513 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.232 26.126 -5.724 1.00 0.00 O ATOM 1081 OE2 GLU A 76 25.401 23.950 -5.930 1.00 0.00 O ATOM 0 H GLU A 76 23.390 22.675 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 76 25.699 24.233 -3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.779 24.933 -2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.000 26.128 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.168 23.775 -4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.768 25.459 -5.118 1.00 0.00 H new ATOM 1088 N VAL A 77 24.216 24.553 -0.253 1.00 0.00 N ATOM 1089 CA VAL A 77 24.433 25.033 1.110 1.00 0.00 C ATOM 1090 C VAL A 77 25.573 24.269 1.776 1.00 0.00 C ATOM 1091 O VAL A 77 26.229 24.771 2.688 1.00 0.00 O ATOM 1092 CB VAL A 77 23.159 24.914 1.980 1.00 0.00 C ATOM 1093 CG1 VAL A 77 22.035 25.757 1.401 1.00 0.00 C ATOM 1094 CG2 VAL A 77 22.720 23.461 2.121 1.00 0.00 C ATOM 0 H VAL A 77 23.328 24.073 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 77 24.694 26.088 1.033 1.00 0.00 H new ATOM 0 HB VAL A 77 23.398 25.290 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 77 21.148 25.660 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.344 26.802 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 77 21.806 25.415 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 77 21.823 23.410 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 77 22.507 23.048 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.516 22.884 2.591 1.00 0.00 H new ATOM 1104 N VAL A 78 25.813 23.056 1.297 1.00 0.00 N ATOM 1105 CA VAL A 78 26.869 22.215 1.833 1.00 0.00 C ATOM 1106 C VAL A 78 28.225 22.659 1.286 1.00 0.00 C ATOM 1107 O VAL A 78 29.245 22.557 1.965 1.00 0.00 O ATOM 1108 CB VAL A 78 26.625 20.725 1.498 1.00 0.00 C ATOM 1109 CG1 VAL A 78 27.630 19.834 2.206 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.208 20.318 1.867 1.00 0.00 C ATOM 0 H VAL A 78 25.286 22.632 0.533 1.00 0.00 H new ATOM 0 HA VAL A 78 26.866 22.323 2.918 1.00 0.00 H new ATOM 0 HB VAL A 78 26.756 20.599 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.435 18.792 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 78 28.639 20.101 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 78 27.539 19.968 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.056 19.266 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.053 20.469 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.497 20.926 1.307 1.00 0.00 H new ATOM 1120 N ALA A 79 28.218 23.192 0.068 1.00 0.00 N ATOM 1121 CA ALA A 79 29.436 23.678 -0.572 1.00 0.00 C ATOM 1122 C ALA A 79 29.931 24.958 0.096 1.00 0.00 C ATOM 1123 O ALA A 79 31.079 25.361 -0.083 1.00 0.00 O ATOM 1124 CB ALA A 79 29.197 23.916 -2.055 1.00 0.00 C ATOM 0 H ALA A 79 27.377 23.299 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 79 30.206 22.915 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.115 24.278 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.895 22.982 -2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.409 24.658 -2.182 1.00 0.00 H new ATOM 1130 N THR A 80 29.055 25.596 0.861 1.00 0.00 N ATOM 1131 CA THR A 80 29.417 26.792 1.610 1.00 0.00 C ATOM 1132 C THR A 80 30.152 26.411 2.902 1.00 0.00 C ATOM 1133 O THR A 80 30.577 27.271 3.675 1.00 0.00 O ATOM 1134 CB THR A 80 28.157 27.622 1.948 1.00 0.00 C ATOM 1135 OG1 THR A 80 27.284 27.654 0.809 1.00 0.00 O ATOM 1136 CG2 THR A 80 28.524 29.049 2.339 1.00 0.00 C ATOM 0 H THR A 80 28.085 25.304 0.979 1.00 0.00 H new ATOM 0 HA THR A 80 30.080 27.396 0.990 1.00 0.00 H new ATOM 0 HB THR A 80 27.656 27.150 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 80 26.485 28.179 1.024 1.00 0.00 H new ATOM 0 HG21 THR A 80 27.617 29.607 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.173 29.031 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 80 29.045 29.530 1.511 1.00 0.00 H new ATOM 1144 N SER A 81 30.314 25.112 3.118 1.00 0.00 N ATOM 1145 CA SER A 81 30.957 24.606 4.320 1.00 0.00 C ATOM 1146 C SER A 81 32.401 24.196 4.032 1.00 0.00 C ATOM 1147 O SER A 81 32.654 23.374 3.151 1.00 0.00 O ATOM 1148 CB SER A 81 30.172 23.408 4.855 1.00 0.00 C ATOM 1149 OG SER A 81 28.798 23.729 4.997 1.00 0.00 O ATOM 0 H SER A 81 30.006 24.387 2.470 1.00 0.00 H new ATOM 0 HA SER A 81 30.969 25.398 5.069 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.284 22.562 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.580 23.101 5.818 1.00 0.00 H new ATOM 0 HG SER A 81 28.278 23.245 4.322 1.00 0.00 H new ATOM 1155 N PRO A 82 33.369 24.775 4.765 1.00 0.00 N ATOM 1156 CA PRO A 82 34.782 24.399 4.649 1.00 0.00 C ATOM 1157 C PRO A 82 34.998 22.909 4.917 1.00 0.00 C ATOM 1158 O PRO A 82 34.286 22.318 5.727 1.00 0.00 O ATOM 1159 CB PRO A 82 35.469 25.239 5.731 1.00 0.00 C ATOM 1160 CG PRO A 82 34.551 26.388 5.961 1.00 0.00 C ATOM 1161 CD PRO A 82 33.163 25.853 5.747 1.00 0.00 C ATOM 0 HA PRO A 82 35.172 24.576 3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 82 35.618 24.663 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 82 36.452 25.578 5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.666 26.784 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.766 27.204 5.271 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.729 25.477 6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.489 26.621 5.367 1.00 0.00 H new ATOM 1169 N PRO A 83 35.992 22.293 4.252 1.00 0.00 N ATOM 1170 CA PRO A 83 36.250 20.844 4.331 1.00 0.00 C ATOM 1171 C PRO A 83 36.252 20.286 5.756 1.00 0.00 C ATOM 1172 O PRO A 83 35.736 19.199 6.001 1.00 0.00 O ATOM 1173 CB PRO A 83 37.640 20.708 3.713 1.00 0.00 C ATOM 1174 CG PRO A 83 37.727 21.829 2.741 1.00 0.00 C ATOM 1175 CD PRO A 83 36.949 22.967 3.348 1.00 0.00 C ATOM 0 HA PRO A 83 35.465 20.280 3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.420 20.779 4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 83 37.762 19.744 3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 83 38.764 22.115 2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.309 21.542 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.600 23.652 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.435 23.553 2.586 1.00 0.00 H new ATOM 1183 N GLN A 84 36.813 21.042 6.695 1.00 0.00 N ATOM 1184 CA GLN A 84 36.946 20.575 8.075 1.00 0.00 C ATOM 1185 C GLN A 84 35.603 20.578 8.812 1.00 0.00 C ATOM 1186 O GLN A 84 35.409 19.826 9.769 1.00 0.00 O ATOM 1187 CB GLN A 84 37.966 21.433 8.825 1.00 0.00 C ATOM 1188 CG GLN A 84 37.660 22.922 8.793 1.00 0.00 C ATOM 1189 CD GLN A 84 38.732 23.746 9.473 1.00 0.00 C ATOM 1190 OE1 GLN A 84 39.904 23.373 9.486 1.00 0.00 O ATOM 1191 NE2 GLN A 84 38.341 24.875 10.037 1.00 0.00 N ATOM 0 H GLN A 84 37.182 21.978 6.528 1.00 0.00 H new ATOM 0 HA GLN A 84 37.297 19.544 8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 84 38.010 21.103 9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 84 38.953 21.266 8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 84 37.558 23.247 7.758 1.00 0.00 H new ATOM 0 HG3 GLN A 84 36.702 23.104 9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 84 37.359 25.148 10.004 1.00 0.00 H new ATOM 0 HE22 GLN A 84 39.021 25.473 10.506 1.00 0.00 H new ATOM 1200 N SER A 85 34.679 21.414 8.361 1.00 0.00 N ATOM 1201 CA SER A 85 33.363 21.511 8.980 1.00 0.00 C ATOM 1202 C SER A 85 32.332 20.772 8.132 1.00 0.00 C ATOM 1203 O SER A 85 31.191 20.563 8.547 1.00 0.00 O ATOM 1204 CB SER A 85 32.970 22.983 9.123 1.00 0.00 C ATOM 1205 OG SER A 85 34.034 23.740 9.678 1.00 0.00 O ATOM 0 H SER A 85 34.816 22.038 7.566 1.00 0.00 H new ATOM 0 HA SER A 85 33.396 21.053 9.969 1.00 0.00 H new ATOM 0 HB2 SER A 85 32.701 23.388 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 85 32.088 23.068 9.758 1.00 0.00 H new ATOM 0 HG SER A 85 33.761 24.678 9.759 1.00 0.00 H new ATOM 1211 N TYR A 86 32.768 20.361 6.950 1.00 0.00 N ATOM 1212 CA TYR A 86 31.908 19.721 5.966 1.00 0.00 C ATOM 1213 C TYR A 86 31.298 18.436 6.513 1.00 0.00 C ATOM 1214 O TYR A 86 30.105 18.181 6.334 1.00 0.00 O ATOM 1215 CB TYR A 86 32.724 19.418 4.708 1.00 0.00 C ATOM 1216 CG TYR A 86 31.930 18.803 3.582 1.00 0.00 C ATOM 1217 CD1 TYR A 86 31.667 17.439 3.554 1.00 0.00 C ATOM 1218 CD2 TYR A 86 31.455 19.585 2.543 1.00 0.00 C ATOM 1219 CE1 TYR A 86 30.947 16.875 2.525 1.00 0.00 C ATOM 1220 CE2 TYR A 86 30.736 19.029 1.510 1.00 0.00 C ATOM 1221 CZ TYR A 86 30.485 17.672 1.505 1.00 0.00 C ATOM 1222 OH TYR A 86 29.758 17.112 0.485 1.00 0.00 O ATOM 0 H TYR A 86 33.736 20.463 6.645 1.00 0.00 H new ATOM 0 HA TYR A 86 31.090 20.400 5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.178 20.343 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.539 18.744 4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.033 16.811 4.353 1.00 0.00 H new ATOM 0 HD2 TYR A 86 31.652 20.647 2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 86 30.747 15.814 2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 86 30.370 19.652 0.707 1.00 0.00 H new ATOM 0 HH TYR A 86 29.917 17.612 -0.343 1.00 0.00 H new ATOM 1232 N SER A 87 32.120 17.638 7.183 1.00 0.00 N ATOM 1233 CA SER A 87 31.699 16.341 7.689 1.00 0.00 C ATOM 1234 C SER A 87 30.476 16.456 8.598 1.00 0.00 C ATOM 1235 O SER A 87 29.589 15.603 8.567 1.00 0.00 O ATOM 1236 CB SER A 87 32.859 15.687 8.437 1.00 0.00 C ATOM 1237 OG SER A 87 34.054 15.782 7.680 1.00 0.00 O ATOM 0 H SER A 87 33.091 17.871 7.389 1.00 0.00 H new ATOM 0 HA SER A 87 31.413 15.720 6.840 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.995 16.171 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.628 14.640 8.634 1.00 0.00 H new ATOM 0 HG SER A 87 34.788 15.360 8.173 1.00 0.00 H new ATOM 1243 N ALA A 88 30.408 17.530 9.372 1.00 0.00 N ATOM 1244 CA ALA A 88 29.298 17.729 10.294 1.00 0.00 C ATOM 1245 C ALA A 88 28.042 18.125 9.528 1.00 0.00 C ATOM 1246 O ALA A 88 26.933 17.709 9.864 1.00 0.00 O ATOM 1247 CB ALA A 88 29.651 18.787 11.329 1.00 0.00 C ATOM 0 H ALA A 88 31.105 18.274 9.380 1.00 0.00 H new ATOM 0 HA ALA A 88 29.104 16.792 10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.811 18.924 12.010 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.527 18.466 11.893 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.868 19.730 10.826 1.00 0.00 H new ATOM 1253 N VAL A 89 28.234 18.911 8.479 1.00 0.00 N ATOM 1254 CA VAL A 89 27.128 19.380 7.657 1.00 0.00 C ATOM 1255 C VAL A 89 26.536 18.230 6.847 1.00 0.00 C ATOM 1256 O VAL A 89 25.315 18.063 6.782 1.00 0.00 O ATOM 1257 CB VAL A 89 27.588 20.503 6.702 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.455 20.937 5.782 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.117 21.690 7.494 1.00 0.00 C ATOM 0 H VAL A 89 29.151 19.239 8.176 1.00 0.00 H new ATOM 0 HA VAL A 89 26.363 19.778 8.324 1.00 0.00 H new ATOM 0 HB VAL A 89 28.394 20.111 6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.807 21.729 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.124 20.086 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.622 21.307 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.437 22.473 6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.329 22.076 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.964 21.373 8.102 1.00 0.00 H new ATOM 1269 N LEU A 90 27.413 17.435 6.247 1.00 0.00 N ATOM 1270 CA LEU A 90 27.008 16.311 5.423 1.00 0.00 C ATOM 1271 C LEU A 90 26.136 15.344 6.219 1.00 0.00 C ATOM 1272 O LEU A 90 25.053 14.963 5.771 1.00 0.00 O ATOM 1273 CB LEU A 90 28.257 15.605 4.902 1.00 0.00 C ATOM 1274 CG LEU A 90 28.078 14.752 3.641 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.342 13.455 3.945 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.349 15.536 2.556 1.00 0.00 C ATOM 0 H LEU A 90 28.423 17.554 6.320 1.00 0.00 H new ATOM 0 HA LEU A 90 26.417 16.673 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.017 16.359 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.645 14.966 5.695 1.00 0.00 H new ATOM 0 HG LEU A 90 29.072 14.495 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.233 12.875 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.909 12.877 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.356 13.683 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.233 14.911 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.366 15.834 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 90 27.926 16.425 2.300 1.00 0.00 H new ATOM 1288 N ASN A 91 26.609 14.960 7.402 1.00 0.00 N ATOM 1289 CA ASN A 91 25.864 14.037 8.257 1.00 0.00 C ATOM 1290 C ASN A 91 24.507 14.614 8.637 1.00 0.00 C ATOM 1291 O ASN A 91 23.517 13.884 8.712 1.00 0.00 O ATOM 1292 CB ASN A 91 26.647 13.676 9.525 1.00 0.00 C ATOM 1293 CG ASN A 91 27.700 12.611 9.285 1.00 0.00 C ATOM 1294 OD1 ASN A 91 27.398 11.418 9.276 1.00 0.00 O ATOM 1295 ND2 ASN A 91 28.943 13.027 9.112 1.00 0.00 N ATOM 0 H ASN A 91 27.500 15.271 7.790 1.00 0.00 H new ATOM 0 HA ASN A 91 25.712 13.126 7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.127 14.573 9.917 1.00 0.00 H new ATOM 0 HB3 ASN A 91 25.952 13.327 10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 91 29.692 12.350 8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.153 14.025 9.126 1.00 0.00 H new ATOM 1302 N THR A 92 24.461 15.924 8.864 1.00 0.00 N ATOM 1303 CA THR A 92 23.210 16.598 9.183 1.00 0.00 C ATOM 1304 C THR A 92 22.213 16.448 8.033 1.00 0.00 C ATOM 1305 O THR A 92 21.067 16.047 8.240 1.00 0.00 O ATOM 1306 CB THR A 92 23.436 18.095 9.478 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.344 18.250 10.578 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.119 18.786 9.803 1.00 0.00 C ATOM 0 H THR A 92 25.275 16.537 8.833 1.00 0.00 H new ATOM 0 HA THR A 92 22.804 16.128 10.078 1.00 0.00 H new ATOM 0 HB THR A 92 23.863 18.556 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.255 18.046 10.281 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.302 19.841 10.008 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.441 18.694 8.955 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.670 18.319 10.680 1.00 0.00 H new ATOM 1316 N ILE A 93 22.668 16.753 6.822 1.00 0.00 N ATOM 1317 CA ILE A 93 21.833 16.628 5.632 1.00 0.00 C ATOM 1318 C ILE A 93 21.352 15.191 5.463 1.00 0.00 C ATOM 1319 O ILE A 93 20.161 14.946 5.264 1.00 0.00 O ATOM 1320 CB ILE A 93 22.594 17.065 4.358 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.051 18.524 4.476 1.00 0.00 C ATOM 1322 CG2 ILE A 93 21.725 16.879 3.119 1.00 0.00 C ATOM 1323 CD1 ILE A 93 21.916 19.514 4.650 1.00 0.00 C ATOM 0 H ILE A 93 23.613 17.090 6.638 1.00 0.00 H new ATOM 0 HA ILE A 93 20.975 17.286 5.768 1.00 0.00 H new ATOM 0 HB ILE A 93 23.476 16.433 4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.731 18.614 5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.618 18.790 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.280 17.193 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.450 15.829 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 93 20.822 17.483 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.322 20.523 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.247 19.455 3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.362 19.277 5.558 1.00 0.00 H new ATOM 1335 N GLY A 94 22.284 14.252 5.569 1.00 0.00 N ATOM 1336 CA GLY A 94 21.957 12.850 5.393 1.00 0.00 C ATOM 1337 C GLY A 94 20.938 12.352 6.390 1.00 0.00 C ATOM 1338 O GLY A 94 19.957 11.710 6.016 1.00 0.00 O ATOM 0 H GLY A 94 23.266 14.438 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.575 12.696 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.867 12.256 5.484 1.00 0.00 H new ATOM 1342 N ALA A 95 21.159 12.665 7.650 1.00 0.00 N ATOM 1343 CA ALA A 95 20.291 12.192 8.719 1.00 0.00 C ATOM 1344 C ALA A 95 18.897 12.784 8.591 1.00 0.00 C ATOM 1345 O ALA A 95 17.897 12.064 8.625 1.00 0.00 O ATOM 1346 CB ALA A 95 20.888 12.533 10.073 1.00 0.00 C ATOM 0 H ALA A 95 21.935 13.248 7.964 1.00 0.00 H new ATOM 0 HA ALA A 95 20.208 11.108 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.228 12.173 10.863 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.864 12.057 10.171 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.001 13.614 10.159 1.00 0.00 H new ATOM 1352 N CYS A 96 18.840 14.096 8.419 1.00 0.00 N ATOM 1353 CA CYS A 96 17.573 14.799 8.332 1.00 0.00 C ATOM 1354 C CYS A 96 16.786 14.388 7.093 1.00 0.00 C ATOM 1355 O CYS A 96 15.566 14.256 7.153 1.00 0.00 O ATOM 1356 CB CYS A 96 17.806 16.306 8.341 1.00 0.00 C ATOM 1357 SG CYS A 96 18.468 16.937 9.916 1.00 0.00 S ATOM 0 H CYS A 96 19.661 14.696 8.337 1.00 0.00 H new ATOM 0 HA CYS A 96 16.979 14.526 9.204 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.497 16.562 7.538 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.865 16.811 8.125 1.00 0.00 H new ATOM 1362 N LEU A 97 17.477 14.172 5.980 1.00 0.00 N ATOM 1363 CA LEU A 97 16.808 13.774 4.747 1.00 0.00 C ATOM 1364 C LEU A 97 16.147 12.411 4.914 1.00 0.00 C ATOM 1365 O LEU A 97 14.997 12.216 4.515 1.00 0.00 O ATOM 1366 CB LEU A 97 17.788 13.746 3.581 1.00 0.00 C ATOM 1367 CG LEU A 97 17.152 13.473 2.218 1.00 0.00 C ATOM 1368 CD1 LEU A 97 16.000 14.434 1.949 1.00 0.00 C ATOM 1369 CD2 LEU A 97 18.196 13.599 1.134 1.00 0.00 C ATOM 0 H LEU A 97 18.490 14.264 5.905 1.00 0.00 H new ATOM 0 HA LEU A 97 16.037 14.512 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.309 14.703 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.541 12.982 3.775 1.00 0.00 H new ATOM 0 HG LEU A 97 16.753 12.459 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 97 15.566 14.217 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 97 15.238 14.314 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.371 15.459 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 97 17.739 13.404 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 97 18.610 14.607 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 97 18.993 12.877 1.311 1.00 0.00 H new ATOM 1381 N ARG A 98 16.875 11.482 5.532 1.00 0.00 N ATOM 1382 CA ARG A 98 16.372 10.129 5.760 1.00 0.00 C ATOM 1383 C ARG A 98 15.066 10.155 6.548 1.00 0.00 C ATOM 1384 O ARG A 98 14.045 9.633 6.097 1.00 0.00 O ATOM 1385 CB ARG A 98 17.406 9.291 6.516 1.00 0.00 C ATOM 1386 CG ARG A 98 18.642 8.952 5.702 1.00 0.00 C ATOM 1387 CD ARG A 98 19.712 8.305 6.568 1.00 0.00 C ATOM 1388 NE ARG A 98 20.894 7.923 5.793 1.00 0.00 N ATOM 1389 CZ ARG A 98 22.144 7.968 6.260 1.00 0.00 C ATOM 1390 NH1 ARG A 98 22.387 8.389 7.499 1.00 0.00 N ATOM 1391 NH2 ARG A 98 23.155 7.582 5.487 1.00 0.00 N ATOM 0 H ARG A 98 17.818 11.643 5.885 1.00 0.00 H new ATOM 0 HA ARG A 98 16.185 9.678 4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.711 9.831 7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.936 8.365 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.372 8.278 4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.039 9.858 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.005 8.997 7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.298 7.422 7.055 1.00 0.00 H new ATOM 0 HE ARG A 98 20.754 7.602 4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.615 8.680 8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 98 23.345 8.420 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.975 7.252 4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 98 24.110 7.616 5.842 1.00 0.00 H new ATOM 1405 N GLU A 99 15.103 10.778 7.717 1.00 0.00 N ATOM 1406 CA GLU A 99 13.935 10.826 8.587 1.00 0.00 C ATOM 1407 C GLU A 99 12.785 11.590 7.939 1.00 0.00 C ATOM 1408 O GLU A 99 11.635 11.176 8.036 1.00 0.00 O ATOM 1409 CB GLU A 99 14.284 11.450 9.939 1.00 0.00 C ATOM 1410 CG GLU A 99 14.933 12.817 9.845 1.00 0.00 C ATOM 1411 CD GLU A 99 15.206 13.420 11.203 1.00 0.00 C ATOM 1412 OE1 GLU A 99 16.215 13.038 11.835 1.00 0.00 O ATOM 1413 OE2 GLU A 99 14.397 14.258 11.656 1.00 0.00 O ATOM 0 H GLU A 99 15.926 11.256 8.085 1.00 0.00 H new ATOM 0 HA GLU A 99 13.611 9.798 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.374 11.532 10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.955 10.778 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.869 12.735 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.285 13.485 9.277 1.00 0.00 H new ATOM 1420 N SER A 100 13.098 12.691 7.273 1.00 0.00 N ATOM 1421 CA SER A 100 12.076 13.518 6.637 1.00 0.00 C ATOM 1422 C SER A 100 11.260 12.723 5.619 1.00 0.00 C ATOM 1423 O SER A 100 10.068 12.980 5.432 1.00 0.00 O ATOM 1424 CB SER A 100 12.714 14.732 5.967 1.00 0.00 C ATOM 1425 OG SER A 100 13.315 15.581 6.927 1.00 0.00 O ATOM 0 H SER A 100 14.051 13.035 7.157 1.00 0.00 H new ATOM 0 HA SER A 100 11.396 13.858 7.418 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.463 14.403 5.247 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.957 15.285 5.410 1.00 0.00 H new ATOM 0 HG SER A 100 14.138 15.166 7.261 1.00 0.00 H new ATOM 1431 N MET A 101 11.893 11.746 4.978 1.00 0.00 N ATOM 1432 CA MET A 101 11.204 10.918 3.995 1.00 0.00 C ATOM 1433 C MET A 101 10.155 10.038 4.668 1.00 0.00 C ATOM 1434 O MET A 101 9.042 9.874 4.155 1.00 0.00 O ATOM 1435 CB MET A 101 12.197 10.051 3.220 1.00 0.00 C ATOM 1436 CG MET A 101 13.110 10.840 2.294 1.00 0.00 C ATOM 1437 SD MET A 101 14.219 9.784 1.342 1.00 0.00 S ATOM 1438 CE MET A 101 13.039 8.773 0.445 1.00 0.00 C ATOM 0 H MET A 101 12.875 11.509 5.120 1.00 0.00 H new ATOM 0 HA MET A 101 10.702 11.583 3.292 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.809 9.493 3.929 1.00 0.00 H new ATOM 0 HB3 MET A 101 11.644 9.319 2.632 1.00 0.00 H new ATOM 0 HG2 MET A 101 12.502 11.432 1.610 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.700 11.541 2.884 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.515 8.360 -0.444 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.697 7.959 1.084 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.187 9.385 0.149 1.00 0.00 H new ATOM 1448 N MET A 102 10.496 9.493 5.830 1.00 0.00 N ATOM 1449 CA MET A 102 9.566 8.640 6.560 1.00 0.00 C ATOM 1450 C MET A 102 8.601 9.485 7.385 1.00 0.00 C ATOM 1451 O MET A 102 7.540 9.012 7.786 1.00 0.00 O ATOM 1452 CB MET A 102 10.310 7.641 7.450 1.00 0.00 C ATOM 1453 CG MET A 102 10.923 8.245 8.700 1.00 0.00 C ATOM 1454 SD MET A 102 11.835 7.035 9.674 1.00 0.00 S ATOM 1455 CE MET A 102 10.646 5.697 9.735 1.00 0.00 C ATOM 0 H MET A 102 11.400 9.625 6.283 1.00 0.00 H new ATOM 0 HA MET A 102 8.990 8.070 5.831 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.619 6.852 7.745 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.100 7.170 6.864 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.592 9.057 8.417 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.134 8.681 9.314 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.864 5.055 10.588 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.641 6.107 9.837 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.708 5.113 8.816 1.00 0.00 H new ATOM 1465 N GLN A 103 8.977 10.737 7.636 1.00 0.00 N ATOM 1466 CA GLN A 103 8.086 11.693 8.277 1.00 0.00 C ATOM 1467 C GLN A 103 6.989 12.107 7.308 1.00 0.00 C ATOM 1468 O GLN A 103 5.936 12.602 7.713 1.00 0.00 O ATOM 1469 CB GLN A 103 8.857 12.930 8.740 1.00 0.00 C ATOM 1470 CG GLN A 103 9.707 12.708 9.984 1.00 0.00 C ATOM 1471 CD GLN A 103 8.878 12.335 11.199 1.00 0.00 C ATOM 1472 OE1 GLN A 103 7.713 12.715 11.313 1.00 0.00 O ATOM 1473 NE2 GLN A 103 9.473 11.596 12.119 1.00 0.00 N ATOM 0 H GLN A 103 9.897 11.111 7.403 1.00 0.00 H new ATOM 0 HA GLN A 103 7.641 11.215 9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.502 13.267 7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.147 13.733 8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 103 10.432 11.919 9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 103 10.273 13.614 10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.440 11.300 11.988 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.965 11.321 12.960 1.00 0.00 H new ATOM 1482 N ALA A 104 7.257 11.921 6.024 1.00 0.00 N ATOM 1483 CA ALA A 104 6.274 12.189 4.995 1.00 0.00 C ATOM 1484 C ALA A 104 5.322 11.011 4.854 1.00 0.00 C ATOM 1485 O ALA A 104 4.156 11.104 5.231 1.00 0.00 O ATOM 1486 CB ALA A 104 6.960 12.485 3.670 1.00 0.00 C ATOM 0 H ALA A 104 8.153 11.584 5.673 1.00 0.00 H new ATOM 0 HA ALA A 104 5.696 13.066 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.207 12.684 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.604 13.357 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.561 11.626 3.371 1.00 0.00 H new ATOM 1492 N THR A 105 5.835 9.893 4.343 1.00 0.00 N ATOM 1493 CA THR A 105 5.008 8.711 4.102 1.00 0.00 C ATOM 1494 C THR A 105 5.793 7.621 3.363 1.00 0.00 C ATOM 1495 O THR A 105 5.482 6.434 3.475 1.00 0.00 O ATOM 1496 CB THR A 105 3.740 9.079 3.284 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.821 7.979 3.242 1.00 0.00 O ATOM 1498 CG2 THR A 105 4.106 9.488 1.864 1.00 0.00 C ATOM 0 H THR A 105 6.816 9.780 4.088 1.00 0.00 H new ATOM 0 HA THR A 105 4.707 8.325 5.076 1.00 0.00 H new ATOM 0 HB THR A 105 3.263 9.922 3.783 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.030 8.234 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.200 9.740 1.313 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.766 10.355 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.614 8.662 1.367 1.00 0.00 H new ATOM 1506 N GLY A 106 6.834 8.021 2.635 1.00 0.00 N ATOM 1507 CA GLY A 106 7.544 7.092 1.773 1.00 0.00 C ATOM 1508 C GLY A 106 8.605 6.277 2.489 1.00 0.00 C ATOM 1509 O GLY A 106 9.362 5.555 1.841 1.00 0.00 O ATOM 0 H GLY A 106 7.198 8.974 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.824 6.412 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.014 7.650 0.963 1.00 0.00 H new ATOM 1513 N SER A 107 8.660 6.391 3.816 1.00 0.00 N ATOM 1514 CA SER A 107 9.636 5.659 4.623 1.00 0.00 C ATOM 1515 C SER A 107 11.063 6.095 4.263 1.00 0.00 C ATOM 1516 O SER A 107 11.260 7.128 3.624 1.00 0.00 O ATOM 1517 CB SER A 107 9.457 4.144 4.431 1.00 0.00 C ATOM 1518 OG SER A 107 10.246 3.408 5.351 1.00 0.00 O ATOM 0 H SER A 107 8.035 6.988 4.358 1.00 0.00 H new ATOM 0 HA SER A 107 9.467 5.891 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.407 3.881 4.559 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.733 3.870 3.413 1.00 0.00 H new ATOM 0 HG SER A 107 10.109 2.449 5.205 1.00 0.00 H new ATOM 1524 N VAL A 108 12.050 5.324 4.693 1.00 0.00 N ATOM 1525 CA VAL A 108 13.442 5.635 4.411 1.00 0.00 C ATOM 1526 C VAL A 108 13.984 4.676 3.364 1.00 0.00 C ATOM 1527 O VAL A 108 14.268 3.513 3.660 1.00 0.00 O ATOM 1528 CB VAL A 108 14.328 5.552 5.674 1.00 0.00 C ATOM 1529 CG1 VAL A 108 15.747 6.012 5.368 1.00 0.00 C ATOM 1530 CG2 VAL A 108 13.736 6.368 6.811 1.00 0.00 C ATOM 0 H VAL A 108 11.911 4.475 5.241 1.00 0.00 H new ATOM 0 HA VAL A 108 13.473 6.661 4.043 1.00 0.00 H new ATOM 0 HB VAL A 108 14.364 4.509 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.354 5.945 6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.177 5.376 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.728 7.045 5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.380 6.292 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.658 7.412 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.745 5.986 7.055 1.00 0.00 H new ATOM 1540 N ASP A 109 14.093 5.163 2.140 1.00 0.00 N ATOM 1541 CA ASP A 109 14.633 4.368 1.041 1.00 0.00 C ATOM 1542 C ASP A 109 16.132 4.148 1.235 1.00 0.00 C ATOM 1543 O ASP A 109 16.789 4.886 1.971 1.00 0.00 O ATOM 1544 CB ASP A 109 14.359 5.048 -0.302 1.00 0.00 C ATOM 1545 CG ASP A 109 14.697 4.154 -1.478 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.835 3.358 -1.891 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.835 4.238 -1.981 1.00 0.00 O ATOM 0 H ASP A 109 13.815 6.109 1.878 1.00 0.00 H new ATOM 0 HA ASP A 109 14.136 3.398 1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.308 5.333 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.942 5.967 -0.367 1.00 0.00 H new ATOM 1552 N ASN A 110 16.675 3.137 0.573 1.00 0.00 N ATOM 1553 CA ASN A 110 18.061 2.745 0.793 1.00 0.00 C ATOM 1554 C ASN A 110 18.901 2.899 -0.470 1.00 0.00 C ATOM 1555 O ASN A 110 20.092 2.578 -0.475 1.00 0.00 O ATOM 1556 CB ASN A 110 18.132 1.302 1.292 1.00 0.00 C ATOM 1557 CG ASN A 110 17.569 1.141 2.693 1.00 0.00 C ATOM 1558 OD1 ASN A 110 18.291 1.266 3.681 1.00 0.00 O ATOM 1559 ND2 ASN A 110 16.278 0.852 2.789 1.00 0.00 N ATOM 0 H ASN A 110 16.180 2.574 -0.119 1.00 0.00 H new ATOM 0 HA ASN A 110 18.472 3.412 1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 110 17.582 0.657 0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 110 19.170 0.968 1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.851 0.725 3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.713 0.757 1.945 1.00 0.00 H new ATOM 1566 N ALA A 111 18.289 3.388 -1.533 1.00 0.00 N ATOM 1567 CA ALA A 111 18.995 3.603 -2.787 1.00 0.00 C ATOM 1568 C ALA A 111 18.912 5.066 -3.201 1.00 0.00 C ATOM 1569 O ALA A 111 19.927 5.694 -3.489 1.00 0.00 O ATOM 1570 CB ALA A 111 18.426 2.704 -3.875 1.00 0.00 C ATOM 0 H ALA A 111 17.302 3.645 -1.555 1.00 0.00 H new ATOM 0 HA ALA A 111 20.045 3.348 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.964 2.876 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 111 18.536 1.661 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 111 17.370 2.931 -4.019 1.00 0.00 H new ATOM 1576 N PHE A 112 17.700 5.605 -3.192 1.00 0.00 N ATOM 1577 CA PHE A 112 17.464 6.998 -3.551 1.00 0.00 C ATOM 1578 C PHE A 112 18.219 7.931 -2.612 1.00 0.00 C ATOM 1579 O PHE A 112 19.099 8.671 -3.043 1.00 0.00 O ATOM 1580 CB PHE A 112 15.959 7.303 -3.513 1.00 0.00 C ATOM 1581 CG PHE A 112 15.626 8.768 -3.622 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.647 9.416 -4.848 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.284 9.494 -2.492 1.00 0.00 C ATOM 1584 CE1 PHE A 112 15.342 10.764 -4.939 1.00 0.00 C ATOM 1585 CE2 PHE A 112 14.980 10.839 -2.577 1.00 0.00 C ATOM 1586 CZ PHE A 112 15.004 11.473 -3.802 1.00 0.00 C ATOM 0 H PHE A 112 16.856 5.092 -2.937 1.00 0.00 H new ATOM 0 HA PHE A 112 17.832 7.163 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.470 6.769 -4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.544 6.915 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.904 8.864 -5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.255 9.001 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.368 11.261 -5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.724 11.393 -1.686 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.759 12.522 -3.872 1.00 0.00 H new ATOM 1596 N THR A 113 17.884 7.866 -1.329 1.00 0.00 N ATOM 1597 CA THR A 113 18.482 8.729 -0.325 1.00 0.00 C ATOM 1598 C THR A 113 19.996 8.538 -0.274 1.00 0.00 C ATOM 1599 O THR A 113 20.750 9.471 0.012 1.00 0.00 O ATOM 1600 CB THR A 113 17.876 8.410 1.048 1.00 0.00 C ATOM 1601 OG1 THR A 113 16.545 7.904 0.868 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.832 9.650 1.922 1.00 0.00 C ATOM 0 H THR A 113 17.192 7.215 -0.959 1.00 0.00 H new ATOM 0 HA THR A 113 18.275 9.766 -0.590 1.00 0.00 H new ATOM 0 HB THR A 113 18.499 7.664 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 113 15.917 8.653 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.398 9.398 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 113 18.843 10.030 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 113 17.222 10.414 1.439 1.00 0.00 H new ATOM 1610 N ASN A 114 20.429 7.326 -0.584 1.00 0.00 N ATOM 1611 CA ASN A 114 21.841 6.976 -0.565 1.00 0.00 C ATOM 1612 C ASN A 114 22.577 7.582 -1.757 1.00 0.00 C ATOM 1613 O ASN A 114 23.651 8.160 -1.604 1.00 0.00 O ATOM 1614 CB ASN A 114 21.995 5.453 -0.568 1.00 0.00 C ATOM 1615 CG ASN A 114 23.439 5.004 -0.609 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.332 5.667 -0.077 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.678 3.869 -1.247 1.00 0.00 N ATOM 0 H ASN A 114 19.814 6.559 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 114 22.284 7.384 0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.518 5.044 0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.468 5.042 -1.429 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.631 3.512 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.909 3.352 -1.673 1.00 0.00 H new ATOM 1624 N GLU A 115 22.003 7.459 -2.944 1.00 0.00 N ATOM 1625 CA GLU A 115 22.618 7.974 -4.127 1.00 0.00 C ATOM 1626 C GLU A 115 22.541 9.501 -4.152 1.00 0.00 C ATOM 1627 O GLU A 115 23.433 10.164 -4.680 1.00 0.00 O ATOM 1628 CB GLU A 115 21.940 7.349 -5.332 1.00 0.00 C ATOM 1629 CG GLU A 115 22.755 7.483 -6.580 1.00 0.00 C ATOM 1630 CD GLU A 115 22.358 6.497 -7.657 1.00 0.00 C ATOM 1631 OE1 GLU A 115 22.733 5.309 -7.546 1.00 0.00 O ATOM 1632 OE2 GLU A 115 21.687 6.901 -8.626 1.00 0.00 O ATOM 0 H GLU A 115 21.105 7.001 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 115 23.677 7.716 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.755 6.293 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.969 7.820 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 115 22.651 8.496 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 115 23.808 7.341 -6.336 1.00 0.00 H new ATOM 1639 N VAL A 116 21.480 10.052 -3.563 1.00 0.00 N ATOM 1640 CA VAL A 116 21.397 11.493 -3.331 1.00 0.00 C ATOM 1641 C VAL A 116 22.562 11.938 -2.451 1.00 0.00 C ATOM 1642 O VAL A 116 23.209 12.939 -2.732 1.00 0.00 O ATOM 1643 CB VAL A 116 20.056 11.897 -2.671 1.00 0.00 C ATOM 1644 CG1 VAL A 116 20.082 13.350 -2.221 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.897 11.670 -3.630 1.00 0.00 C ATOM 0 H VAL A 116 20.669 9.525 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 116 21.450 11.990 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 116 19.916 11.268 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.127 13.606 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 116 20.883 13.492 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.254 13.995 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.964 11.960 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.044 12.271 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.852 10.616 -3.903 1.00 0.00 H new ATOM 1655 N MET A 117 22.837 11.164 -1.404 1.00 0.00 N ATOM 1656 CA MET A 117 23.992 11.406 -0.543 1.00 0.00 C ATOM 1657 C MET A 117 25.270 11.474 -1.360 1.00 0.00 C ATOM 1658 O MET A 117 26.033 12.429 -1.244 1.00 0.00 O ATOM 1659 CB MET A 117 24.103 10.309 0.520 1.00 0.00 C ATOM 1660 CG MET A 117 23.187 10.502 1.720 1.00 0.00 C ATOM 1661 SD MET A 117 23.868 11.612 2.978 1.00 0.00 S ATOM 1662 CE MET A 117 23.682 13.225 2.213 1.00 0.00 C ATOM 0 H MET A 117 22.272 10.360 -1.130 1.00 0.00 H new ATOM 0 HA MET A 117 23.850 12.366 -0.046 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.878 9.348 0.058 1.00 0.00 H new ATOM 0 HB3 MET A 117 25.134 10.261 0.869 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.231 10.897 1.377 1.00 0.00 H new ATOM 0 HG3 MET A 117 22.986 9.531 2.174 1.00 0.00 H new ATOM 0 HE1 MET A 117 23.613 13.989 2.987 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.545 13.428 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 117 22.776 13.238 1.608 1.00 0.00 H new ATOM 1672 N GLN A 118 25.486 10.467 -2.197 1.00 0.00 N ATOM 1673 CA GLN A 118 26.657 10.419 -3.065 1.00 0.00 C ATOM 1674 C GLN A 118 26.725 11.665 -3.951 1.00 0.00 C ATOM 1675 O GLN A 118 27.792 12.252 -4.134 1.00 0.00 O ATOM 1676 CB GLN A 118 26.613 9.153 -3.919 1.00 0.00 C ATOM 1677 CG GLN A 118 27.819 8.968 -4.823 1.00 0.00 C ATOM 1678 CD GLN A 118 27.809 7.626 -5.525 1.00 0.00 C ATOM 1679 OE1 GLN A 118 27.289 6.641 -4.998 1.00 0.00 O ATOM 1680 NE2 GLN A 118 28.368 7.579 -6.721 1.00 0.00 N ATOM 0 H GLN A 118 24.861 9.667 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 118 27.554 10.398 -2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.530 8.288 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.713 9.174 -4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.839 9.765 -5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.731 9.060 -4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.788 8.418 -7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.380 6.704 -7.244 1.00 0.00 H new ATOM 1689 N LEU A 119 25.575 12.068 -4.478 1.00 0.00 N ATOM 1690 CA LEU A 119 25.484 13.264 -5.305 1.00 0.00 C ATOM 1691 C LEU A 119 25.805 14.522 -4.506 1.00 0.00 C ATOM 1692 O LEU A 119 26.609 15.337 -4.941 1.00 0.00 O ATOM 1693 CB LEU A 119 24.094 13.371 -5.931 1.00 0.00 C ATOM 1694 CG LEU A 119 23.875 12.489 -7.159 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.400 12.156 -7.323 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.394 13.186 -8.406 1.00 0.00 C ATOM 0 H LEU A 119 24.689 11.581 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 119 26.225 13.177 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.351 13.111 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.916 14.409 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 119 24.427 11.560 -7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.265 11.527 -8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 119 22.047 11.625 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.830 13.077 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.232 12.547 -9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.863 14.128 -8.544 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.460 13.384 -8.295 1.00 0.00 H new ATOM 1708 N VAL A 120 25.189 14.670 -3.335 1.00 0.00 N ATOM 1709 CA VAL A 120 25.424 15.840 -2.486 1.00 0.00 C ATOM 1710 C VAL A 120 26.909 15.984 -2.164 1.00 0.00 C ATOM 1711 O VAL A 120 27.461 17.082 -2.219 1.00 0.00 O ATOM 1712 CB VAL A 120 24.619 15.766 -1.167 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.937 16.950 -0.265 1.00 0.00 C ATOM 1714 CG2 VAL A 120 23.129 15.712 -1.454 1.00 0.00 C ATOM 0 H VAL A 120 24.525 13.997 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 120 25.086 16.711 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 120 24.910 14.853 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.357 16.873 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 120 26.000 16.949 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.681 17.877 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.579 15.660 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.831 16.607 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.906 14.830 -2.054 1.00 0.00 H new ATOM 1724 N LYS A 121 27.544 14.863 -1.853 1.00 0.00 N ATOM 1725 CA LYS A 121 28.973 14.833 -1.551 1.00 0.00 C ATOM 1726 C LYS A 121 29.803 15.314 -2.748 1.00 0.00 C ATOM 1727 O LYS A 121 30.698 16.148 -2.609 1.00 0.00 O ATOM 1728 CB LYS A 121 29.386 13.405 -1.170 1.00 0.00 C ATOM 1729 CG LYS A 121 28.794 12.912 0.146 1.00 0.00 C ATOM 1730 CD LYS A 121 28.577 11.405 0.124 1.00 0.00 C ATOM 1731 CE LYS A 121 28.337 10.840 1.514 1.00 0.00 C ATOM 1732 NZ LYS A 121 28.211 9.356 1.499 1.00 0.00 N ATOM 0 H LYS A 121 27.089 13.952 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 121 29.163 15.507 -0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 121 29.084 12.727 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.473 13.358 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 121 29.460 13.174 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.845 13.416 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.724 11.172 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 121 29.448 10.921 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 121 29.159 11.127 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 121 27.430 11.277 1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 28.048 9.012 2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 27.410 9.082 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 29.086 8.937 1.125 1.00 0.00 H new ATOM 1746 N MET A 122 29.472 14.803 -3.925 1.00 0.00 N ATOM 1747 CA MET A 122 30.256 15.053 -5.131 1.00 0.00 C ATOM 1748 C MET A 122 29.911 16.396 -5.785 1.00 0.00 C ATOM 1749 O MET A 122 30.756 17.010 -6.446 1.00 0.00 O ATOM 1750 CB MET A 122 30.055 13.879 -6.106 1.00 0.00 C ATOM 1751 CG MET A 122 30.514 14.136 -7.533 1.00 0.00 C ATOM 1752 SD MET A 122 29.177 14.725 -8.594 1.00 0.00 S ATOM 1753 CE MET A 122 28.053 13.324 -8.548 1.00 0.00 C ATOM 0 H MET A 122 28.658 14.207 -4.073 1.00 0.00 H new ATOM 0 HA MET A 122 31.308 15.121 -4.855 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.590 13.011 -5.720 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.997 13.619 -6.123 1.00 0.00 H new ATOM 0 HG2 MET A 122 31.318 14.872 -7.526 1.00 0.00 H new ATOM 0 HG3 MET A 122 30.926 13.217 -7.950 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.389 13.362 -9.411 1.00 0.00 H new ATOM 0 HE2 MET A 122 28.626 12.397 -8.571 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.461 13.362 -7.633 1.00 0.00 H new ATOM 1763 N LEU A 123 28.693 16.874 -5.574 1.00 0.00 N ATOM 1764 CA LEU A 123 28.232 18.106 -6.210 1.00 0.00 C ATOM 1765 C LEU A 123 28.474 19.318 -5.319 1.00 0.00 C ATOM 1766 O LEU A 123 27.915 20.392 -5.551 1.00 0.00 O ATOM 1767 CB LEU A 123 26.743 18.014 -6.557 1.00 0.00 C ATOM 1768 CG LEU A 123 26.387 17.025 -7.671 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.879 16.906 -7.817 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.011 17.455 -8.993 1.00 0.00 C ATOM 0 H LEU A 123 28.004 16.429 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 123 28.807 18.231 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.194 17.734 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.394 19.004 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 123 26.789 16.049 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.645 16.199 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.450 16.552 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.459 17.881 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.746 16.739 -9.771 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.639 18.442 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.095 17.492 -8.889 1.00 0.00 H new ATOM 1782 N SER A 124 29.307 19.151 -4.305 1.00 0.00 N ATOM 1783 CA SER A 124 29.651 20.252 -3.428 1.00 0.00 C ATOM 1784 C SER A 124 31.160 20.451 -3.394 1.00 0.00 C ATOM 1785 O SER A 124 31.668 21.477 -3.850 1.00 0.00 O ATOM 1786 CB SER A 124 29.109 19.992 -2.024 1.00 0.00 C ATOM 1787 OG SER A 124 29.435 18.683 -1.600 1.00 0.00 O ATOM 0 H SER A 124 29.755 18.265 -4.071 1.00 0.00 H new ATOM 0 HA SER A 124 29.196 21.165 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.524 20.720 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 124 28.027 20.124 -2.016 1.00 0.00 H new ATOM 0 HG SER A 124 28.615 18.154 -1.511 1.00 0.00 H new ATOM 1793 N ALA A 125 31.874 19.453 -2.881 1.00 0.00 N ATOM 1794 CA ALA A 125 33.323 19.537 -2.746 1.00 0.00 C ATOM 1795 C ALA A 125 33.919 18.203 -2.325 1.00 0.00 C ATOM 1796 O ALA A 125 33.615 17.691 -1.247 1.00 0.00 O ATOM 1797 CB ALA A 125 33.700 20.606 -1.731 1.00 0.00 C ATOM 0 H ALA A 125 31.471 18.576 -2.552 1.00 0.00 H new ATOM 0 HA ALA A 125 33.729 19.803 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.785 20.656 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.318 21.572 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.267 20.357 -0.762 1.00 0.00 H new