USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 753 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 14 ASN :FLIP amide:sc= -6.15! C(o=-6.2!,f=-5.3!) USER MOD Set 1.2: A 104 THR OG1 : rot -44:sc= 0.855 USER MOD Set 2.1: A 97 THR OG1 : rot 90:sc= -2.29! USER MOD Set 2.2: A 101 TYR OH : rot 0:sc= -0.726! USER MOD Set 2.3: A 108 ASN : amide:sc= -8.85! C(o=-12!,f=-12!) USER MOD Single : A 6 ASN : amide:sc=-0.00418 K(o=-0.0042,f=-1.4) USER MOD Single : A 7 THR OG1 : rot 158:sc= -5.92! USER MOD Single : A 10 SER OG : rot -162:sc= -3.69! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.568 F(o=-1.9,f=-0.57) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 69:sc= 1.3 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 29 THR OG1 : rot 55:sc= 0.501 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -1.25 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 36 GLN : amide:sc= -3.33! C(o=-3.3!,f=-4.3!) USER MOD Single : A 37 MET CE :methyl -154:sc= -2.54! (180deg=-5.53!) USER MOD Single : A 39 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.34) USER MOD Single : A 40 MET CE :methyl -165:sc= 0 (180deg=-0.0653) USER MOD Single : A 41 SER OG : rot -86:sc= -1.66! USER MOD Single : A 45 ASN : amide:sc= -5.06! C(o=-5.1!,f=-6.5!) USER MOD Single : A 46 THR OG1 : rot -149:sc= -0.175 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -112:sc= -0.897 (180deg=-4.56!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 68 MET CE :methyl 155:sc= -0.146 (180deg=-0.973) USER MOD Single : A 72 SER OG : rot 180:sc= -0.659 USER MOD Single : A 73 SER OG : rot 79:sc= 0.464 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -4.2! C(o=-4.2!,f=-5.8!) USER MOD Single : A 88 THR OG1 : rot 170:sc= -0.808 USER MOD Single : A 89 THR OG1 : rot 95:sc=0.000539 USER MOD Single : A 90 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 98 SER OG : rot -36:sc= 0.155 USER MOD Single : A 102 GLN : amide:sc= -0.0723 K(o=-0.072,f=-0.69) USER MOD Single : A 103 THR OG1 : rot -68:sc= -0.0103 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 130:sc= -0.156 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 -14.386 7.329 -5.210 1.00 0.00 N ATOM 62 CA ASN A 6 -15.044 8.520 -4.602 1.00 0.00 C ATOM 63 C ASN A 6 -14.122 9.129 -3.542 1.00 0.00 C ATOM 64 O ASN A 6 -14.262 10.278 -3.172 1.00 0.00 O ATOM 65 CB ASN A 6 -16.359 8.096 -3.947 1.00 0.00 C ATOM 66 CG ASN A 6 -17.290 7.505 -5.008 1.00 0.00 C ATOM 67 OD1 ASN A 6 -17.114 7.741 -6.186 1.00 0.00 O ATOM 68 ND2 ASN A 6 -18.280 6.740 -4.636 1.00 0.00 N ATOM 0 HA ASN A 6 -15.244 9.259 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -16.168 7.361 -3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -16.833 8.953 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -18.906 6.340 -5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -18.428 6.542 -3.646 1.00 0.00 H new ATOM 75 N THR A 7 -13.184 8.369 -3.050 1.00 0.00 N ATOM 76 CA THR A 7 -12.259 8.906 -2.012 1.00 0.00 C ATOM 77 C THR A 7 -10.969 8.079 -1.997 1.00 0.00 C ATOM 78 O THR A 7 -10.951 6.937 -2.413 1.00 0.00 O ATOM 79 CB THR A 7 -12.933 8.830 -0.639 1.00 0.00 C ATOM 80 OG1 THR A 7 -11.942 8.857 0.371 1.00 0.00 O ATOM 81 CG2 THR A 7 -13.729 7.533 -0.523 1.00 0.00 C ATOM 0 H THR A 7 -13.017 7.400 -3.321 1.00 0.00 H new ATOM 0 HA THR A 7 -12.020 9.944 -2.242 1.00 0.00 H new ATOM 0 HB THR A 7 -13.606 9.680 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.341 9.163 1.212 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.206 7.485 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 7 -14.492 7.504 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 7 -13.058 6.682 -0.642 1.00 0.00 H new ATOM 89 N PRO A 8 -9.867 8.674 -1.511 1.00 0.00 N ATOM 90 CA PRO A 8 -8.561 7.999 -1.442 1.00 0.00 C ATOM 91 C PRO A 8 -8.557 6.801 -0.484 1.00 0.00 C ATOM 92 O PRO A 8 -7.903 5.807 -0.735 1.00 0.00 O ATOM 93 CB PRO A 8 -7.625 9.090 -0.921 1.00 0.00 C ATOM 94 CG PRO A 8 -8.522 10.036 -0.202 1.00 0.00 C ATOM 95 CD PRO A 8 -9.799 10.052 -0.990 1.00 0.00 C ATOM 0 HA PRO A 8 -8.274 7.587 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.867 8.678 -0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.098 9.585 -1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.697 9.709 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.081 11.031 -0.148 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.659 10.293 -0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.772 10.789 -1.793 1.00 0.00 H new ATOM 103 N TRP A 9 -9.274 6.872 0.605 1.00 0.00 N ATOM 104 CA TRP A 9 -9.285 5.716 1.549 1.00 0.00 C ATOM 105 C TRP A 9 -10.323 4.691 1.089 1.00 0.00 C ATOM 106 O TRP A 9 -10.664 3.771 1.805 1.00 0.00 O ATOM 107 CB TRP A 9 -9.623 6.191 2.965 1.00 0.00 C ATOM 108 CG TRP A 9 -10.983 6.805 2.987 1.00 0.00 C ATOM 109 CD1 TRP A 9 -12.136 6.137 3.223 1.00 0.00 C ATOM 110 CD2 TRP A 9 -11.352 8.195 2.776 1.00 0.00 C ATOM 111 NE1 TRP A 9 -13.190 7.033 3.166 1.00 0.00 N ATOM 112 CE2 TRP A 9 -12.756 8.315 2.892 1.00 0.00 C ATOM 113 CE3 TRP A 9 -10.609 9.351 2.494 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -13.400 9.544 2.734 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -11.250 10.588 2.335 1.00 0.00 C ATOM 116 CH2 TRP A 9 -12.645 10.686 2.454 1.00 0.00 C ATOM 0 H TRP A 9 -9.846 7.670 0.880 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.297 5.257 1.558 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.583 5.351 3.658 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -8.882 6.917 3.301 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.220 5.079 3.423 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -14.167 6.778 3.309 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.535 9.288 2.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -14.474 9.611 2.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -10.667 11.471 2.120 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -13.133 11.641 2.330 1.00 0.00 H new ATOM 127 N SER A 10 -10.820 4.835 -0.110 1.00 0.00 N ATOM 128 CA SER A 10 -11.822 3.863 -0.625 1.00 0.00 C ATOM 129 C SER A 10 -11.125 2.903 -1.590 1.00 0.00 C ATOM 130 O SER A 10 -11.611 1.825 -1.873 1.00 0.00 O ATOM 131 CB SER A 10 -12.932 4.613 -1.364 1.00 0.00 C ATOM 132 OG SER A 10 -13.954 4.974 -0.447 1.00 0.00 O ATOM 0 H SER A 10 -10.574 5.586 -0.755 1.00 0.00 H new ATOM 0 HA SER A 10 -12.258 3.306 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.527 5.505 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.344 3.987 -2.155 1.00 0.00 H new ATOM 0 HG SER A 10 -14.774 5.189 -0.939 1.00 0.00 H new ATOM 138 N SER A 11 -9.985 3.290 -2.096 1.00 0.00 N ATOM 139 CA SER A 11 -9.245 2.412 -3.044 1.00 0.00 C ATOM 140 C SER A 11 -7.873 2.077 -2.458 1.00 0.00 C ATOM 141 O SER A 11 -7.359 2.782 -1.612 1.00 0.00 O ATOM 142 CB SER A 11 -9.061 3.141 -4.375 1.00 0.00 C ATOM 143 OG SER A 11 -10.331 3.389 -4.959 1.00 0.00 O ATOM 0 H SER A 11 -9.533 4.181 -1.892 1.00 0.00 H new ATOM 0 HA SER A 11 -9.809 1.494 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.532 4.081 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.450 2.541 -5.049 1.00 0.00 H new ATOM 0 HG SER A 11 -10.213 3.858 -5.811 1.00 0.00 H new ATOM 149 N LYS A 12 -7.275 1.010 -2.903 1.00 0.00 N ATOM 150 CA LYS A 12 -5.934 0.632 -2.374 1.00 0.00 C ATOM 151 C LYS A 12 -4.869 1.564 -2.952 1.00 0.00 C ATOM 152 O LYS A 12 -3.954 1.976 -2.268 1.00 0.00 O ATOM 153 CB LYS A 12 -5.617 -0.809 -2.773 1.00 0.00 C ATOM 154 CG LYS A 12 -4.771 -1.462 -1.680 1.00 0.00 C ATOM 155 CD LYS A 12 -4.551 -2.939 -2.018 1.00 0.00 C ATOM 156 CE LYS A 12 -3.852 -3.051 -3.373 1.00 0.00 C ATOM 157 NZ LYS A 12 -2.925 -4.218 -3.357 1.00 0.00 N ATOM 0 H LYS A 12 -7.656 0.382 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.939 0.719 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.540 -1.370 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.081 -0.826 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.812 -0.951 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.270 -1.369 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.948 -3.414 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.506 -3.464 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.590 -3.170 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.299 -2.136 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.449 -4.296 -4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.214 -4.086 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.465 -5.088 -3.172 1.00 0.00 H new ATOM 171 N ALA A 13 -4.977 1.894 -4.208 1.00 0.00 N ATOM 172 CA ALA A 13 -3.965 2.792 -4.831 1.00 0.00 C ATOM 173 C ALA A 13 -4.256 4.244 -4.442 1.00 0.00 C ATOM 174 O ALA A 13 -3.356 5.033 -4.232 1.00 0.00 O ATOM 175 CB ALA A 13 -4.029 2.648 -6.353 1.00 0.00 C ATOM 0 H ALA A 13 -5.722 1.581 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.970 2.518 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.289 3.304 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.819 1.615 -6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.024 2.922 -6.703 1.00 0.00 H new ATOM 181 N ASN A 14 -5.507 4.604 -4.349 1.00 0.00 N ATOM 182 CA ASN A 14 -5.853 6.006 -3.976 1.00 0.00 C ATOM 183 C ASN A 14 -5.554 6.242 -2.494 1.00 0.00 C ATOM 184 O ASN A 14 -5.253 7.344 -2.079 1.00 0.00 O ATOM 185 CB ASN A 14 -7.340 6.253 -4.236 1.00 0.00 C ATOM 186 CG ASN A 14 -7.542 7.695 -4.708 1.00 0.00 C ATOM 187 OD1 ASN A 14 -8.451 7.951 -5.608 1.00 0.00 O flip ATOM 188 ND2 ASN A 14 -6.867 8.596 -4.253 1.00 0.00 N flip ATOM 0 H ASN A 14 -6.304 3.989 -4.515 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.255 6.691 -4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.709 5.557 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.914 6.073 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.156 8.396 -3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.011 9.553 -4.574 1.00 0.00 H new ATOM 195 N ALA A 15 -5.647 5.220 -1.690 1.00 0.00 N ATOM 196 CA ALA A 15 -5.385 5.387 -0.231 1.00 0.00 C ATOM 197 C ALA A 15 -3.891 5.588 0.020 1.00 0.00 C ATOM 198 O ALA A 15 -3.482 6.512 0.695 1.00 0.00 O ATOM 199 CB ALA A 15 -5.861 4.139 0.514 1.00 0.00 C ATOM 0 H ALA A 15 -5.894 4.274 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.925 6.263 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.671 4.257 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.930 4.002 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.322 3.267 0.144 1.00 0.00 H new ATOM 205 N ASP A 16 -3.073 4.725 -0.509 1.00 0.00 N ATOM 206 CA ASP A 16 -1.605 4.856 -0.292 1.00 0.00 C ATOM 207 C ASP A 16 -1.139 6.249 -0.724 1.00 0.00 C ATOM 208 O ASP A 16 -0.405 6.914 -0.019 1.00 0.00 O ATOM 209 CB ASP A 16 -0.872 3.788 -1.109 1.00 0.00 C ATOM 210 CG ASP A 16 -0.856 4.188 -2.586 1.00 0.00 C ATOM 211 OD1 ASP A 16 -0.016 4.994 -2.953 1.00 0.00 O ATOM 212 OD2 ASP A 16 -1.683 3.682 -3.325 1.00 0.00 O ATOM 0 H ASP A 16 -3.357 3.932 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.382 4.719 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.148 3.673 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.365 2.823 -0.989 1.00 0.00 H new ATOM 217 N ALA A 17 -1.556 6.697 -1.876 1.00 0.00 N ATOM 218 CA ALA A 17 -1.131 8.046 -2.347 1.00 0.00 C ATOM 219 C ALA A 17 -1.564 9.104 -1.329 1.00 0.00 C ATOM 220 O ALA A 17 -0.836 10.032 -1.037 1.00 0.00 O ATOM 221 CB ALA A 17 -1.781 8.343 -3.700 1.00 0.00 C ATOM 0 H ALA A 17 -2.172 6.189 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.046 8.067 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.470 9.329 -4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.471 7.591 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.866 8.320 -3.595 1.00 0.00 H new ATOM 227 N PHE A 18 -2.744 8.974 -0.786 1.00 0.00 N ATOM 228 CA PHE A 18 -3.223 9.976 0.211 1.00 0.00 C ATOM 229 C PHE A 18 -2.324 9.945 1.451 1.00 0.00 C ATOM 230 O PHE A 18 -2.044 10.964 2.049 1.00 0.00 O ATOM 231 CB PHE A 18 -4.663 9.646 0.612 1.00 0.00 C ATOM 232 CG PHE A 18 -5.224 10.780 1.436 1.00 0.00 C ATOM 233 CD1 PHE A 18 -5.851 11.861 0.804 1.00 0.00 C ATOM 234 CD2 PHE A 18 -5.111 10.756 2.830 1.00 0.00 C ATOM 235 CE1 PHE A 18 -6.364 12.917 1.566 1.00 0.00 C ATOM 236 CE2 PHE A 18 -5.623 11.812 3.592 1.00 0.00 C ATOM 237 CZ PHE A 18 -6.249 12.893 2.959 1.00 0.00 C ATOM 0 H PHE A 18 -3.398 8.218 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.187 10.971 -0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.274 9.491 -0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.690 8.718 1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.939 11.880 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.628 9.922 3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.848 13.750 1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.535 11.793 4.668 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.643 13.708 3.547 1.00 0.00 H new ATOM 247 N ILE A 19 -1.873 8.786 1.845 1.00 0.00 N ATOM 248 CA ILE A 19 -0.998 8.696 3.049 1.00 0.00 C ATOM 249 C ILE A 19 0.384 9.273 2.727 1.00 0.00 C ATOM 250 O ILE A 19 1.011 9.905 3.554 1.00 0.00 O ATOM 251 CB ILE A 19 -0.848 7.231 3.462 1.00 0.00 C ATOM 252 CG1 ILE A 19 -2.231 6.603 3.632 1.00 0.00 C ATOM 253 CG2 ILE A 19 -0.084 7.150 4.786 1.00 0.00 C ATOM 254 CD1 ILE A 19 -3.099 7.511 4.504 1.00 0.00 C ATOM 0 H ILE A 19 -2.072 7.897 1.386 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.448 9.263 3.863 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.298 6.692 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.699 6.460 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.141 5.618 4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.023 6.106 5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.903 7.596 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.634 7.690 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.086 7.064 4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.632 7.631 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.199 8.486 4.027 1.00 0.00 H new ATOM 266 N ASN A 20 0.865 9.051 1.537 1.00 0.00 N ATOM 267 CA ASN A 20 2.210 9.575 1.162 1.00 0.00 C ATOM 268 C ASN A 20 2.176 11.103 1.080 1.00 0.00 C ATOM 269 O ASN A 20 3.018 11.782 1.635 1.00 0.00 O ATOM 270 CB ASN A 20 2.610 9.005 -0.201 1.00 0.00 C ATOM 271 CG ASN A 20 2.564 7.477 -0.148 1.00 0.00 C ATOM 272 OD1 ASN A 20 1.972 6.821 -1.108 1.00 0.00 O flip ATOM 273 ND2 ASN A 20 3.072 6.874 0.775 1.00 0.00 N flip ATOM 0 H ASN A 20 0.385 8.528 0.805 1.00 0.00 H new ATOM 0 HA ASN A 20 2.934 9.275 1.919 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.935 9.373 -0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.612 9.340 -0.467 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.535 7.386 1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.036 5.855 0.800 1.00 0.00 H new ATOM 280 N SER A 21 1.217 11.651 0.385 1.00 0.00 N ATOM 281 CA SER A 21 1.138 13.135 0.257 1.00 0.00 C ATOM 282 C SER A 21 0.872 13.770 1.625 1.00 0.00 C ATOM 283 O SER A 21 1.286 14.880 1.894 1.00 0.00 O ATOM 284 CB SER A 21 0.003 13.501 -0.702 1.00 0.00 C ATOM 285 OG SER A 21 0.272 14.764 -1.293 1.00 0.00 O ATOM 0 H SER A 21 0.483 11.135 -0.101 1.00 0.00 H new ATOM 0 HA SER A 21 2.085 13.510 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.094 12.739 -1.475 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.945 13.533 -0.165 1.00 0.00 H new ATOM 0 HG SER A 21 -0.454 14.998 -1.908 1.00 0.00 H new ATOM 291 N PHE A 22 0.179 13.082 2.491 1.00 0.00 N ATOM 292 CA PHE A 22 -0.115 13.659 3.835 1.00 0.00 C ATOM 293 C PHE A 22 1.190 13.881 4.604 1.00 0.00 C ATOM 294 O PHE A 22 1.443 14.952 5.119 1.00 0.00 O ATOM 295 CB PHE A 22 -1.008 12.698 4.621 1.00 0.00 C ATOM 296 CG PHE A 22 -1.259 13.260 6.000 1.00 0.00 C ATOM 297 CD1 PHE A 22 -0.317 13.067 7.017 1.00 0.00 C ATOM 298 CD2 PHE A 22 -2.431 13.979 6.260 1.00 0.00 C ATOM 299 CE1 PHE A 22 -0.547 13.590 8.295 1.00 0.00 C ATOM 300 CE2 PHE A 22 -2.663 14.502 7.539 1.00 0.00 C ATOM 301 CZ PHE A 22 -1.720 14.308 8.555 1.00 0.00 C ATOM 0 H PHE A 22 -0.196 12.148 2.327 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.626 14.614 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.953 12.553 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.532 11.721 4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.588 12.514 6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.157 14.131 5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.180 13.440 9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.569 15.054 7.741 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.898 14.713 9.540 1.00 0.00 H new ATOM 311 N ILE A 23 2.017 12.876 4.694 1.00 0.00 N ATOM 312 CA ILE A 23 3.300 13.030 5.439 1.00 0.00 C ATOM 313 C ILE A 23 4.151 14.127 4.794 1.00 0.00 C ATOM 314 O ILE A 23 4.555 15.073 5.441 1.00 0.00 O ATOM 315 CB ILE A 23 4.070 11.711 5.403 1.00 0.00 C ATOM 316 CG1 ILE A 23 3.198 10.592 5.977 1.00 0.00 C ATOM 317 CG2 ILE A 23 5.345 11.844 6.236 1.00 0.00 C ATOM 318 CD1 ILE A 23 3.933 9.257 5.847 1.00 0.00 C ATOM 0 H ILE A 23 1.861 11.955 4.284 1.00 0.00 H new ATOM 0 HA ILE A 23 3.082 13.303 6.471 1.00 0.00 H new ATOM 0 HB ILE A 23 4.332 11.472 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.971 10.794 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.247 10.549 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.896 10.904 6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.967 12.639 5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.083 12.084 7.266 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.313 8.459 6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.138 9.055 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.873 9.304 6.397 1.00 0.00 H new ATOM 330 N SER A 24 4.436 14.003 3.527 1.00 0.00 N ATOM 331 CA SER A 24 5.269 15.033 2.844 1.00 0.00 C ATOM 332 C SER A 24 4.585 16.397 2.936 1.00 0.00 C ATOM 333 O SER A 24 5.232 17.424 3.002 1.00 0.00 O ATOM 334 CB SER A 24 5.443 14.655 1.372 1.00 0.00 C ATOM 335 OG SER A 24 6.022 13.360 1.280 1.00 0.00 O ATOM 0 H SER A 24 4.128 13.232 2.934 1.00 0.00 H new ATOM 0 HA SER A 24 6.244 15.083 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.478 14.670 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.078 15.385 0.871 1.00 0.00 H new ATOM 0 HG SER A 24 6.132 13.117 0.337 1.00 0.00 H new ATOM 341 N ALA A 25 3.282 16.420 2.933 1.00 0.00 N ATOM 342 CA ALA A 25 2.559 17.721 3.013 1.00 0.00 C ATOM 343 C ALA A 25 2.571 18.235 4.455 1.00 0.00 C ATOM 344 O ALA A 25 2.828 19.396 4.705 1.00 0.00 O ATOM 345 CB ALA A 25 1.113 17.525 2.552 1.00 0.00 C ATOM 0 H ALA A 25 2.685 15.594 2.879 1.00 0.00 H new ATOM 0 HA ALA A 25 3.054 18.449 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.581 18.475 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.105 17.166 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.622 16.795 3.195 1.00 0.00 H new ATOM 351 N ALA A 26 2.288 17.385 5.404 1.00 0.00 N ATOM 352 CA ALA A 26 2.274 17.831 6.827 1.00 0.00 C ATOM 353 C ALA A 26 3.690 18.201 7.275 1.00 0.00 C ATOM 354 O ALA A 26 3.883 19.084 8.088 1.00 0.00 O ATOM 355 CB ALA A 26 1.746 16.700 7.710 1.00 0.00 C ATOM 0 H ALA A 26 2.066 16.401 5.256 1.00 0.00 H new ATOM 0 HA ALA A 26 1.628 18.704 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.735 17.025 8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.734 16.439 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.392 15.828 7.609 1.00 0.00 H new ATOM 361 N SER A 27 4.681 17.528 6.761 1.00 0.00 N ATOM 362 CA SER A 27 6.081 17.837 7.169 1.00 0.00 C ATOM 363 C SER A 27 6.445 19.265 6.751 1.00 0.00 C ATOM 364 O SER A 27 7.285 19.902 7.356 1.00 0.00 O ATOM 365 CB SER A 27 7.036 16.850 6.494 1.00 0.00 C ATOM 366 OG SER A 27 6.723 15.529 6.912 1.00 0.00 O ATOM 0 H SER A 27 4.583 16.778 6.077 1.00 0.00 H new ATOM 0 HA SER A 27 6.166 17.749 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.952 16.930 5.410 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.067 17.090 6.753 1.00 0.00 H new ATOM 0 HG SER A 27 5.855 15.266 6.541 1.00 0.00 H new ATOM 372 N ASN A 28 5.829 19.772 5.718 1.00 0.00 N ATOM 373 CA ASN A 28 6.153 21.155 5.265 1.00 0.00 C ATOM 374 C ASN A 28 5.020 22.112 5.644 1.00 0.00 C ATOM 375 O ASN A 28 5.012 23.260 5.246 1.00 0.00 O ATOM 376 CB ASN A 28 6.340 21.164 3.746 1.00 0.00 C ATOM 377 CG ASN A 28 7.544 20.298 3.374 1.00 0.00 C ATOM 378 OD1 ASN A 28 8.517 20.246 4.101 1.00 0.00 O ATOM 379 ND2 ASN A 28 7.523 19.611 2.265 1.00 0.00 N ATOM 0 H ASN A 28 5.117 19.290 5.169 1.00 0.00 H new ATOM 0 HA ASN A 28 7.073 21.481 5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.442 20.787 3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.490 22.184 3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.322 19.031 2.009 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.707 19.654 1.654 1.00 0.00 H new ATOM 386 N THR A 29 4.059 21.657 6.401 1.00 0.00 N ATOM 387 CA THR A 29 2.934 22.557 6.785 1.00 0.00 C ATOM 388 C THR A 29 3.238 23.236 8.124 1.00 0.00 C ATOM 389 O THR A 29 3.607 24.393 8.170 1.00 0.00 O ATOM 390 CB THR A 29 1.643 21.744 6.905 1.00 0.00 C ATOM 391 OG1 THR A 29 1.458 20.977 5.724 1.00 0.00 O ATOM 392 CG2 THR A 29 0.460 22.694 7.092 1.00 0.00 C ATOM 0 H THR A 29 4.004 20.707 6.768 1.00 0.00 H new ATOM 0 HA THR A 29 2.813 23.321 6.017 1.00 0.00 H new ATOM 0 HB THR A 29 1.709 21.076 7.764 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.253 20.427 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.460 22.116 7.178 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.605 23.282 7.998 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.391 23.362 6.234 1.00 0.00 H new ATOM 400 N GLY A 30 3.079 22.534 9.212 1.00 0.00 N ATOM 401 CA GLY A 30 3.352 23.150 10.541 1.00 0.00 C ATOM 402 C GLY A 30 4.845 23.050 10.860 1.00 0.00 C ATOM 403 O GLY A 30 5.653 23.786 10.330 1.00 0.00 O ATOM 0 H GLY A 30 2.772 21.562 9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.040 24.194 10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.771 22.645 11.313 1.00 0.00 H new ATOM 407 N SER A 31 5.215 22.149 11.726 1.00 0.00 N ATOM 408 CA SER A 31 6.654 22.003 12.082 1.00 0.00 C ATOM 409 C SER A 31 7.054 20.529 11.998 1.00 0.00 C ATOM 410 O SER A 31 7.922 20.155 11.235 1.00 0.00 O ATOM 411 CB SER A 31 6.883 22.514 13.507 1.00 0.00 C ATOM 412 OG SER A 31 6.187 23.739 13.688 1.00 0.00 O ATOM 0 H SER A 31 4.583 21.507 12.203 1.00 0.00 H new ATOM 0 HA SER A 31 7.260 22.584 11.387 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.536 21.776 14.230 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.948 22.659 13.686 1.00 0.00 H new ATOM 0 HG SER A 31 6.332 24.066 14.601 1.00 0.00 H new ATOM 418 N PHE A 32 6.428 19.689 12.776 1.00 0.00 N ATOM 419 CA PHE A 32 6.774 18.241 12.740 1.00 0.00 C ATOM 420 C PHE A 32 8.297 18.085 12.718 1.00 0.00 C ATOM 421 O PHE A 32 8.915 18.090 11.673 1.00 0.00 O ATOM 422 CB PHE A 32 6.177 17.605 11.482 1.00 0.00 C ATOM 423 CG PHE A 32 4.747 17.195 11.752 1.00 0.00 C ATOM 424 CD1 PHE A 32 4.441 16.428 12.885 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.727 17.577 10.870 1.00 0.00 C ATOM 426 CE1 PHE A 32 3.119 16.045 13.136 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.404 17.191 11.121 1.00 0.00 C ATOM 428 CZ PHE A 32 2.100 16.425 12.254 1.00 0.00 C ATOM 0 H PHE A 32 5.692 19.943 13.435 1.00 0.00 H new ATOM 0 HA PHE A 32 6.369 17.746 13.623 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.213 18.311 10.653 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.766 16.736 11.187 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.227 16.133 13.565 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.961 18.169 9.997 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.884 15.456 14.010 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.618 17.484 10.441 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.080 16.128 12.447 1.00 0.00 H new ATOM 438 N SER A 33 8.906 17.950 13.864 1.00 0.00 N ATOM 439 CA SER A 33 10.387 17.799 13.907 1.00 0.00 C ATOM 440 C SER A 33 10.799 16.556 13.117 1.00 0.00 C ATOM 441 O SER A 33 10.001 15.674 12.869 1.00 0.00 O ATOM 442 CB SER A 33 10.844 17.655 15.360 1.00 0.00 C ATOM 443 OG SER A 33 10.551 16.345 15.821 1.00 0.00 O ATOM 0 H SER A 33 8.442 17.938 14.772 1.00 0.00 H new ATOM 0 HA SER A 33 10.853 18.680 13.465 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.914 17.848 15.437 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.341 18.393 15.985 1.00 0.00 H new ATOM 0 HG SER A 33 10.845 16.252 16.751 1.00 0.00 H new ATOM 449 N GLN A 34 12.039 16.480 12.718 1.00 0.00 N ATOM 450 CA GLN A 34 12.500 15.294 11.943 1.00 0.00 C ATOM 451 C GLN A 34 12.139 14.018 12.704 1.00 0.00 C ATOM 452 O GLN A 34 11.693 13.045 12.128 1.00 0.00 O ATOM 453 CB GLN A 34 14.017 15.368 11.756 1.00 0.00 C ATOM 454 CG GLN A 34 14.363 16.581 10.891 1.00 0.00 C ATOM 455 CD GLN A 34 15.879 16.665 10.709 1.00 0.00 C ATOM 456 OE1 GLN A 34 16.625 16.011 11.412 1.00 0.00 O ATOM 457 NE2 GLN A 34 16.372 17.446 9.787 1.00 0.00 N ATOM 0 H GLN A 34 12.752 17.187 12.895 1.00 0.00 H new ATOM 0 HA GLN A 34 12.014 15.283 10.967 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.511 15.445 12.725 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.381 14.455 11.285 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.874 16.500 9.920 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.992 17.492 11.360 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.747 17.995 9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.382 17.507 9.657 1.00 0.00 H new ATOM 466 N ASP A 35 12.324 14.014 13.996 1.00 0.00 N ATOM 467 CA ASP A 35 11.988 12.802 14.792 1.00 0.00 C ATOM 468 C ASP A 35 10.512 12.453 14.587 1.00 0.00 C ATOM 469 O ASP A 35 10.137 11.298 14.540 1.00 0.00 O ATOM 470 CB ASP A 35 12.244 13.077 16.275 1.00 0.00 C ATOM 471 CG ASP A 35 12.156 11.765 17.059 1.00 0.00 C ATOM 472 OD1 ASP A 35 12.018 10.730 16.429 1.00 0.00 O ATOM 473 OD2 ASP A 35 12.227 11.818 18.275 1.00 0.00 O ATOM 0 H ASP A 35 12.693 14.798 14.534 1.00 0.00 H new ATOM 0 HA ASP A 35 12.610 11.969 14.465 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.228 13.527 16.408 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.513 13.790 16.655 1.00 0.00 H new ATOM 478 N GLN A 36 9.671 13.444 14.461 1.00 0.00 N ATOM 479 CA GLN A 36 8.223 13.169 14.254 1.00 0.00 C ATOM 480 C GLN A 36 8.014 12.583 12.858 1.00 0.00 C ATOM 481 O GLN A 36 7.141 11.768 12.639 1.00 0.00 O ATOM 482 CB GLN A 36 7.434 14.472 14.388 1.00 0.00 C ATOM 483 CG GLN A 36 7.593 15.018 15.809 1.00 0.00 C ATOM 484 CD GLN A 36 7.163 13.949 16.816 1.00 0.00 C ATOM 485 OE1 GLN A 36 6.088 13.393 16.707 1.00 0.00 O ATOM 486 NE2 GLN A 36 7.962 13.638 17.799 1.00 0.00 N ATOM 0 H GLN A 36 9.925 14.431 14.493 1.00 0.00 H new ATOM 0 HA GLN A 36 7.874 12.457 15.002 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.792 15.203 13.663 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.381 14.296 14.170 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.630 15.304 15.986 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.988 15.916 15.935 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.864 14.105 17.890 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.685 12.928 18.477 1.00 0.00 H new ATOM 495 N MET A 37 8.814 12.991 11.911 1.00 0.00 N ATOM 496 CA MET A 37 8.665 12.455 10.530 1.00 0.00 C ATOM 497 C MET A 37 8.944 10.951 10.540 1.00 0.00 C ATOM 498 O MET A 37 8.374 10.199 9.775 1.00 0.00 O ATOM 499 CB MET A 37 9.661 13.154 9.603 1.00 0.00 C ATOM 500 CG MET A 37 9.293 14.635 9.487 1.00 0.00 C ATOM 501 SD MET A 37 10.400 15.443 8.305 1.00 0.00 S ATOM 502 CE MET A 37 9.710 17.110 8.455 1.00 0.00 C ATOM 0 H MET A 37 9.563 13.672 12.035 1.00 0.00 H new ATOM 0 HA MET A 37 7.651 12.636 10.174 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.673 13.049 9.993 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.648 12.686 8.618 1.00 0.00 H new ATOM 0 HG2 MET A 37 8.258 14.739 9.161 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.370 15.117 10.462 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.895 17.664 7.535 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.636 17.045 8.630 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.183 17.626 9.291 1.00 0.00 H new ATOM 512 N GLU A 38 9.815 10.507 11.405 1.00 0.00 N ATOM 513 CA GLU A 38 10.126 9.053 11.467 1.00 0.00 C ATOM 514 C GLU A 38 8.876 8.284 11.896 1.00 0.00 C ATOM 515 O GLU A 38 8.533 7.267 11.325 1.00 0.00 O ATOM 516 CB GLU A 38 11.244 8.814 12.484 1.00 0.00 C ATOM 517 CG GLU A 38 11.721 7.364 12.390 1.00 0.00 C ATOM 518 CD GLU A 38 12.859 7.137 13.386 1.00 0.00 C ATOM 519 OE1 GLU A 38 13.217 8.080 14.071 1.00 0.00 O ATOM 520 OE2 GLU A 38 13.353 6.023 13.448 1.00 0.00 O ATOM 0 H GLU A 38 10.324 11.089 12.071 1.00 0.00 H new ATOM 0 HA GLU A 38 10.448 8.707 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.074 9.494 12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.884 9.025 13.491 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.896 6.684 12.603 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.061 7.146 11.377 1.00 0.00 H new ATOM 527 N ASN A 39 8.190 8.763 12.898 1.00 0.00 N ATOM 528 CA ASN A 39 6.960 8.062 13.360 1.00 0.00 C ATOM 529 C ASN A 39 5.997 7.907 12.184 1.00 0.00 C ATOM 530 O ASN A 39 5.353 6.889 12.024 1.00 0.00 O ATOM 531 CB ASN A 39 6.291 8.877 14.470 1.00 0.00 C ATOM 532 CG ASN A 39 7.283 9.081 15.618 1.00 0.00 C ATOM 533 OD1 ASN A 39 7.403 10.169 16.147 1.00 0.00 O ATOM 534 ND2 ASN A 39 8.004 8.073 16.027 1.00 0.00 N ATOM 0 H ASN A 39 8.429 9.609 13.416 1.00 0.00 H new ATOM 0 HA ASN A 39 7.223 7.078 13.747 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.964 9.841 14.082 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.402 8.360 14.830 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.668 8.198 16.791 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.903 7.160 15.583 1.00 0.00 H new ATOM 541 N MET A 40 5.902 8.907 11.354 1.00 0.00 N ATOM 542 CA MET A 40 4.990 8.814 10.181 1.00 0.00 C ATOM 543 C MET A 40 5.383 7.596 9.346 1.00 0.00 C ATOM 544 O MET A 40 4.557 6.955 8.730 1.00 0.00 O ATOM 545 CB MET A 40 5.116 10.081 9.332 1.00 0.00 C ATOM 546 CG MET A 40 4.627 11.286 10.139 1.00 0.00 C ATOM 547 SD MET A 40 4.604 12.752 9.078 1.00 0.00 S ATOM 548 CE MET A 40 4.053 13.932 10.334 1.00 0.00 C ATOM 0 H MET A 40 6.416 9.784 11.437 1.00 0.00 H new ATOM 0 HA MET A 40 3.959 8.713 10.520 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.153 10.228 9.031 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.530 9.979 8.419 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.629 11.093 10.533 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.281 11.454 10.995 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.714 14.848 9.849 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.232 13.499 10.905 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.880 14.162 11.005 1.00 0.00 H new ATOM 558 N SER A 41 6.645 7.270 9.329 1.00 0.00 N ATOM 559 CA SER A 41 7.104 6.091 8.546 1.00 0.00 C ATOM 560 C SER A 41 6.616 4.810 9.224 1.00 0.00 C ATOM 561 O SER A 41 6.490 3.775 8.599 1.00 0.00 O ATOM 562 CB SER A 41 8.632 6.085 8.479 1.00 0.00 C ATOM 563 OG SER A 41 9.159 5.619 9.712 1.00 0.00 O ATOM 0 H SER A 41 7.381 7.772 9.826 1.00 0.00 H new ATOM 0 HA SER A 41 6.699 6.145 7.536 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.968 5.445 7.663 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.001 7.089 8.270 1.00 0.00 H new ATOM 0 HG SER A 41 9.242 6.369 10.337 1.00 0.00 H new ATOM 569 N LEU A 42 6.345 4.867 10.499 1.00 0.00 N ATOM 570 CA LEU A 42 5.872 3.650 11.217 1.00 0.00 C ATOM 571 C LEU A 42 4.350 3.562 11.126 1.00 0.00 C ATOM 572 O LEU A 42 3.771 2.500 11.249 1.00 0.00 O ATOM 573 CB LEU A 42 6.291 3.731 12.686 1.00 0.00 C ATOM 574 CG LEU A 42 7.782 3.413 12.810 1.00 0.00 C ATOM 575 CD1 LEU A 42 8.600 4.658 12.463 1.00 0.00 C ATOM 576 CD2 LEU A 42 8.094 2.981 14.244 1.00 0.00 C ATOM 0 H LEU A 42 6.431 5.704 11.075 1.00 0.00 H new ATOM 0 HA LEU A 42 6.314 2.764 10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.087 4.727 13.079 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.708 3.028 13.281 1.00 0.00 H new ATOM 0 HG LEU A 42 8.039 2.606 12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.663 4.432 12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.378 4.966 11.441 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.343 5.465 13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.156 2.754 14.333 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.836 3.787 14.931 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.512 2.093 14.491 1.00 0.00 H new ATOM 588 N ILE A 43 3.693 4.668 10.914 1.00 0.00 N ATOM 589 CA ILE A 43 2.208 4.645 10.819 1.00 0.00 C ATOM 590 C ILE A 43 1.769 5.415 9.571 1.00 0.00 C ATOM 591 O ILE A 43 2.357 6.412 9.206 1.00 0.00 O ATOM 592 CB ILE A 43 1.612 5.297 12.070 1.00 0.00 C ATOM 593 CG1 ILE A 43 1.730 4.330 13.251 1.00 0.00 C ATOM 594 CG2 ILE A 43 0.136 5.625 11.831 1.00 0.00 C ATOM 595 CD1 ILE A 43 1.333 5.049 14.542 1.00 0.00 C ATOM 0 H ILE A 43 4.121 5.587 10.802 1.00 0.00 H new ATOM 0 HA ILE A 43 1.857 3.616 10.748 1.00 0.00 H new ATOM 0 HB ILE A 43 2.155 6.216 12.290 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.087 3.465 13.092 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.751 3.958 13.329 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.283 6.089 12.724 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.048 6.313 10.990 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.409 4.708 11.609 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.417 4.360 15.383 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.995 5.900 14.703 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.304 5.399 14.462 1.00 0.00 H new ATOM 607 N GLY A 44 0.746 4.953 8.909 1.00 0.00 N ATOM 608 CA GLY A 44 0.280 5.650 7.678 1.00 0.00 C ATOM 609 C GLY A 44 0.847 4.920 6.463 1.00 0.00 C ATOM 610 O GLY A 44 0.199 4.075 5.877 1.00 0.00 O ATOM 0 H GLY A 44 0.212 4.123 9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.809 5.661 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.610 6.689 7.683 1.00 0.00 H new ATOM 614 N ASN A 45 2.059 5.222 6.087 1.00 0.00 N ATOM 615 CA ASN A 45 2.663 4.523 4.923 1.00 0.00 C ATOM 616 C ASN A 45 2.739 3.031 5.244 1.00 0.00 C ATOM 617 O ASN A 45 2.707 2.190 4.368 1.00 0.00 O ATOM 618 CB ASN A 45 4.070 5.067 4.663 1.00 0.00 C ATOM 619 CG ASN A 45 3.974 6.508 4.155 1.00 0.00 C ATOM 620 OD1 ASN A 45 2.905 6.971 3.808 1.00 0.00 O ATOM 621 ND2 ASN A 45 5.052 7.239 4.098 1.00 0.00 N ATOM 0 H ASN A 45 2.653 5.920 6.534 1.00 0.00 H new ATOM 0 HA ASN A 45 2.055 4.686 4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.660 5.031 5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.582 4.445 3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.999 8.201 3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.948 6.849 4.389 1.00 0.00 H new ATOM 628 N THR A 46 2.824 2.701 6.505 1.00 0.00 N ATOM 629 CA THR A 46 2.886 1.268 6.900 1.00 0.00 C ATOM 630 C THR A 46 1.533 0.618 6.609 1.00 0.00 C ATOM 631 O THR A 46 1.452 -0.534 6.230 1.00 0.00 O ATOM 632 CB THR A 46 3.195 1.160 8.395 1.00 0.00 C ATOM 633 OG1 THR A 46 4.407 1.845 8.677 1.00 0.00 O ATOM 634 CG2 THR A 46 3.335 -0.312 8.784 1.00 0.00 C ATOM 0 H THR A 46 2.853 3.365 7.279 1.00 0.00 H new ATOM 0 HA THR A 46 3.670 0.762 6.336 1.00 0.00 H new ATOM 0 HB THR A 46 2.383 1.608 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.862 1.410 9.428 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.555 -0.388 9.849 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.404 -0.836 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.146 -0.764 8.213 1.00 0.00 H new ATOM 642 N LEU A 47 0.471 1.355 6.781 1.00 0.00 N ATOM 643 CA LEU A 47 -0.882 0.795 6.513 1.00 0.00 C ATOM 644 C LEU A 47 -0.916 0.209 5.101 1.00 0.00 C ATOM 645 O LEU A 47 -1.518 -0.818 4.859 1.00 0.00 O ATOM 646 CB LEU A 47 -1.923 1.909 6.631 1.00 0.00 C ATOM 647 CG LEU A 47 -1.886 2.494 8.045 1.00 0.00 C ATOM 648 CD1 LEU A 47 -3.017 3.514 8.204 1.00 0.00 C ATOM 649 CD2 LEU A 47 -2.067 1.371 9.068 1.00 0.00 C ATOM 0 H LEU A 47 0.483 2.325 7.097 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.106 0.011 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.721 2.690 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.917 1.517 6.414 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.926 2.984 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.992 3.931 9.211 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.890 4.315 7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.976 3.023 8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.041 1.788 10.075 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.026 0.880 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.263 0.643 8.956 1.00 0.00 H new ATOM 661 N MET A 48 -0.272 0.853 4.166 1.00 0.00 N ATOM 662 CA MET A 48 -0.266 0.331 2.771 1.00 0.00 C ATOM 663 C MET A 48 0.188 -1.130 2.783 1.00 0.00 C ATOM 664 O MET A 48 -0.358 -1.964 2.089 1.00 0.00 O ATOM 665 CB MET A 48 0.698 1.159 1.919 1.00 0.00 C ATOM 666 CG MET A 48 0.587 0.726 0.457 1.00 0.00 C ATOM 667 SD MET A 48 1.790 1.644 -0.536 1.00 0.00 S ATOM 668 CE MET A 48 1.335 0.951 -2.145 1.00 0.00 C ATOM 0 H MET A 48 0.250 1.718 4.308 1.00 0.00 H new ATOM 0 HA MET A 48 -1.269 0.400 2.350 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.465 2.220 2.014 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.720 1.024 2.273 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.768 -0.345 0.369 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.422 0.910 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.965 1.387 -2.920 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.476 -0.130 -2.129 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.290 1.178 -2.356 1.00 0.00 H new ATOM 678 N ALA A 49 1.179 -1.445 3.571 1.00 0.00 N ATOM 679 CA ALA A 49 1.661 -2.852 3.631 1.00 0.00 C ATOM 680 C ALA A 49 0.524 -3.747 4.124 1.00 0.00 C ATOM 681 O ALA A 49 0.429 -4.904 3.763 1.00 0.00 O ATOM 682 CB ALA A 49 2.843 -2.947 4.598 1.00 0.00 C ATOM 0 H ALA A 49 1.675 -0.789 4.175 1.00 0.00 H new ATOM 0 HA ALA A 49 1.981 -3.175 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.196 -3.977 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.650 -2.302 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.527 -2.629 5.592 1.00 0.00 H new ATOM 688 N ALA A 50 -0.343 -3.218 4.943 1.00 0.00 N ATOM 689 CA ALA A 50 -1.478 -4.034 5.456 1.00 0.00 C ATOM 690 C ALA A 50 -2.416 -4.372 4.297 1.00 0.00 C ATOM 691 O ALA A 50 -2.954 -5.458 4.215 1.00 0.00 O ATOM 692 CB ALA A 50 -2.241 -3.235 6.514 1.00 0.00 C ATOM 0 H ALA A 50 -0.314 -2.255 5.279 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.099 -4.954 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.072 -3.831 6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.570 -2.987 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.625 -2.317 6.070 1.00 0.00 H new ATOM 698 N MET A 51 -2.613 -3.448 3.395 1.00 0.00 N ATOM 699 CA MET A 51 -3.512 -3.716 2.238 1.00 0.00 C ATOM 700 C MET A 51 -3.016 -4.954 1.490 1.00 0.00 C ATOM 701 O MET A 51 -3.788 -5.691 0.909 1.00 0.00 O ATOM 702 CB MET A 51 -3.505 -2.511 1.298 1.00 0.00 C ATOM 703 CG MET A 51 -3.943 -1.263 2.067 1.00 0.00 C ATOM 704 SD MET A 51 -3.818 0.188 0.992 1.00 0.00 S ATOM 705 CE MET A 51 -4.542 1.382 2.142 1.00 0.00 C ATOM 0 H MET A 51 -2.190 -2.520 3.410 1.00 0.00 H new ATOM 0 HA MET A 51 -4.527 -3.889 2.595 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.507 -2.365 0.884 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.176 -2.688 0.458 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.968 -1.381 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.317 -1.129 2.950 1.00 0.00 H new ATOM 0 HE1 MET A 51 -5.507 1.715 1.761 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.679 0.912 3.116 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.876 2.239 2.243 1.00 0.00 H new ATOM 876 N LEU A 63 -11.717 -0.769 4.512 1.00 0.00 N ATOM 877 CA LEU A 63 -10.743 0.318 4.203 1.00 0.00 C ATOM 878 C LEU A 63 -11.144 1.592 4.949 1.00 0.00 C ATOM 879 O LEU A 63 -10.312 2.281 5.507 1.00 0.00 O ATOM 880 CB LEU A 63 -10.734 0.582 2.696 1.00 0.00 C ATOM 881 CG LEU A 63 -9.473 1.361 2.315 1.00 0.00 C ATOM 882 CD1 LEU A 63 -8.236 0.596 2.786 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.425 1.525 0.795 1.00 0.00 C ATOM 0 HA LEU A 63 -9.746 0.014 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.768 -0.362 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.622 1.147 2.411 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.491 2.342 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.339 1.152 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.273 0.475 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.213 -0.385 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.529 2.079 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.405 0.542 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.307 2.070 0.460 1.00 0.00 H new ATOM 895 N GLN A 64 -12.409 1.911 4.968 1.00 0.00 N ATOM 896 CA GLN A 64 -12.852 3.140 5.685 1.00 0.00 C ATOM 897 C GLN A 64 -12.379 3.077 7.137 1.00 0.00 C ATOM 898 O GLN A 64 -12.097 4.086 7.753 1.00 0.00 O ATOM 899 CB GLN A 64 -14.379 3.234 5.644 1.00 0.00 C ATOM 900 CG GLN A 64 -14.826 3.573 4.221 1.00 0.00 C ATOM 901 CD GLN A 64 -16.353 3.548 4.143 1.00 0.00 C ATOM 902 OE1 GLN A 64 -17.008 2.983 4.996 1.00 0.00 O ATOM 903 NE2 GLN A 64 -16.952 4.141 3.146 1.00 0.00 N ATOM 0 H GLN A 64 -13.153 1.376 4.520 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.425 4.019 5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.822 2.290 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.727 3.999 6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.453 4.557 3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.404 2.857 3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.402 4.615 2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -17.970 4.130 3.083 1.00 0.00 H new ATOM 912 N ALA A 65 -12.279 1.898 7.688 1.00 0.00 N ATOM 913 CA ALA A 65 -11.812 1.774 9.097 1.00 0.00 C ATOM 914 C ALA A 65 -10.344 2.197 9.173 1.00 0.00 C ATOM 915 O ALA A 65 -9.879 2.692 10.180 1.00 0.00 O ATOM 916 CB ALA A 65 -11.956 0.323 9.562 1.00 0.00 C ATOM 0 H ALA A 65 -12.500 1.017 7.224 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.413 2.415 9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.614 0.236 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.002 0.023 9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.355 -0.325 8.924 1.00 0.00 H new ATOM 922 N LEU A 66 -9.613 2.011 8.106 1.00 0.00 N ATOM 923 CA LEU A 66 -8.177 2.407 8.105 1.00 0.00 C ATOM 924 C LEU A 66 -8.074 3.930 8.018 1.00 0.00 C ATOM 925 O LEU A 66 -7.313 4.554 8.732 1.00 0.00 O ATOM 926 CB LEU A 66 -7.476 1.778 6.897 1.00 0.00 C ATOM 927 CG LEU A 66 -5.977 2.080 6.960 1.00 0.00 C ATOM 928 CD1 LEU A 66 -5.202 0.955 6.272 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.693 3.405 6.248 1.00 0.00 C ATOM 0 H LEU A 66 -9.950 1.601 7.235 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.701 2.060 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.640 0.700 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.898 2.172 5.973 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.664 2.153 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.134 1.169 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.404 0.011 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.515 0.882 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.625 3.621 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.005 3.332 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.246 4.207 6.737 1.00 0.00 H new ATOM 941 N ASP A 67 -8.836 4.535 7.147 1.00 0.00 N ATOM 942 CA ASP A 67 -8.785 6.018 7.015 1.00 0.00 C ATOM 943 C ASP A 67 -8.886 6.654 8.403 1.00 0.00 C ATOM 944 O ASP A 67 -8.184 7.594 8.718 1.00 0.00 O ATOM 945 CB ASP A 67 -9.955 6.496 6.153 1.00 0.00 C ATOM 946 CG ASP A 67 -9.613 7.853 5.537 1.00 0.00 C ATOM 947 OD1 ASP A 67 -8.436 8.154 5.427 1.00 0.00 O ATOM 948 OD2 ASP A 67 -10.537 8.571 5.186 1.00 0.00 O ATOM 0 H ASP A 67 -9.491 4.066 6.522 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.845 6.308 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.162 5.770 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.858 6.577 6.759 1.00 0.00 H new ATOM 953 N MET A 68 -9.756 6.148 9.232 1.00 0.00 N ATOM 954 CA MET A 68 -9.907 6.722 10.600 1.00 0.00 C ATOM 955 C MET A 68 -8.611 6.515 11.390 1.00 0.00 C ATOM 956 O MET A 68 -8.123 7.415 12.044 1.00 0.00 O ATOM 957 CB MET A 68 -11.060 6.023 11.323 1.00 0.00 C ATOM 958 CG MET A 68 -12.364 6.272 10.564 1.00 0.00 C ATOM 959 SD MET A 68 -13.744 5.548 11.484 1.00 0.00 S ATOM 960 CE MET A 68 -13.780 6.757 12.830 1.00 0.00 C ATOM 0 H MET A 68 -10.370 5.361 9.022 1.00 0.00 H new ATOM 0 HA MET A 68 -10.118 7.788 10.523 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.865 4.953 11.391 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.144 6.397 12.343 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.522 7.342 10.433 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.307 5.833 9.568 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.780 6.789 13.263 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.061 6.469 13.597 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.521 7.742 12.441 1.00 0.00 H new ATOM 970 N ALA A 69 -8.052 5.337 11.336 1.00 0.00 N ATOM 971 CA ALA A 69 -6.791 5.078 12.086 1.00 0.00 C ATOM 972 C ALA A 69 -5.731 6.096 11.664 1.00 0.00 C ATOM 973 O ALA A 69 -5.057 6.684 12.488 1.00 0.00 O ATOM 974 CB ALA A 69 -6.292 3.665 11.775 1.00 0.00 C ATOM 0 H ALA A 69 -8.413 4.544 10.806 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.979 5.169 13.156 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.369 3.476 12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.047 2.938 12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.103 3.573 10.705 1.00 0.00 H new ATOM 980 N PHE A 70 -5.579 6.309 10.387 1.00 0.00 N ATOM 981 CA PHE A 70 -4.564 7.289 9.909 1.00 0.00 C ATOM 982 C PHE A 70 -4.783 8.630 10.612 1.00 0.00 C ATOM 983 O PHE A 70 -3.846 9.314 10.972 1.00 0.00 O ATOM 984 CB PHE A 70 -4.712 7.473 8.398 1.00 0.00 C ATOM 985 CG PHE A 70 -3.645 8.416 7.898 1.00 0.00 C ATOM 986 CD1 PHE A 70 -2.390 7.918 7.531 1.00 0.00 C ATOM 987 CD2 PHE A 70 -3.911 9.786 7.799 1.00 0.00 C ATOM 988 CE1 PHE A 70 -1.399 8.790 7.066 1.00 0.00 C ATOM 989 CE2 PHE A 70 -2.920 10.659 7.334 1.00 0.00 C ATOM 990 CZ PHE A 70 -1.664 10.161 6.966 1.00 0.00 C ATOM 0 H PHE A 70 -6.114 5.846 9.652 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.563 6.921 10.135 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.627 6.510 7.894 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.700 7.869 8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.186 6.860 7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.880 10.170 8.081 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.430 8.405 6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.124 11.717 7.259 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.900 10.834 6.605 1.00 0.00 H new ATOM 1000 N ALA A 71 -6.016 9.011 10.806 1.00 0.00 N ATOM 1001 CA ALA A 71 -6.303 10.308 11.481 1.00 0.00 C ATOM 1002 C ALA A 71 -5.930 10.212 12.963 1.00 0.00 C ATOM 1003 O ALA A 71 -5.400 11.140 13.540 1.00 0.00 O ATOM 1004 CB ALA A 71 -7.792 10.627 11.352 1.00 0.00 C ATOM 0 H ALA A 71 -6.839 8.478 10.525 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.716 11.098 11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.005 11.576 11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.059 10.698 10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.376 9.835 11.821 1.00 0.00 H new ATOM 1010 N SER A 72 -6.208 9.099 13.584 1.00 0.00 N ATOM 1011 CA SER A 72 -5.874 8.949 15.030 1.00 0.00 C ATOM 1012 C SER A 72 -4.354 8.896 15.204 1.00 0.00 C ATOM 1013 O SER A 72 -3.806 9.474 16.121 1.00 0.00 O ATOM 1014 CB SER A 72 -6.495 7.657 15.566 1.00 0.00 C ATOM 1015 OG SER A 72 -6.304 7.587 16.971 1.00 0.00 O ATOM 0 H SER A 72 -6.651 8.287 13.154 1.00 0.00 H new ATOM 0 HA SER A 72 -6.271 9.800 15.583 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.559 7.628 15.331 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.038 6.794 15.083 1.00 0.00 H new ATOM 0 HG SER A 72 -6.703 6.760 17.315 1.00 0.00 H new ATOM 1021 N SER A 73 -3.669 8.206 14.333 1.00 0.00 N ATOM 1022 CA SER A 73 -2.186 8.116 14.454 1.00 0.00 C ATOM 1023 C SER A 73 -1.561 9.471 14.125 1.00 0.00 C ATOM 1024 O SER A 73 -0.717 9.969 14.843 1.00 0.00 O ATOM 1025 CB SER A 73 -1.658 7.062 13.479 1.00 0.00 C ATOM 1026 OG SER A 73 -2.429 5.875 13.601 1.00 0.00 O ATOM 0 H SER A 73 -4.072 7.701 13.544 1.00 0.00 H new ATOM 0 HA SER A 73 -1.923 7.834 15.474 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.709 7.438 12.457 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.609 6.850 13.688 1.00 0.00 H new ATOM 0 HG SER A 73 -3.274 5.983 13.117 1.00 0.00 H new ATOM 1032 N VAL A 74 -1.969 10.071 13.044 1.00 0.00 N ATOM 1033 CA VAL A 74 -1.401 11.394 12.665 1.00 0.00 C ATOM 1034 C VAL A 74 -1.630 12.395 13.799 1.00 0.00 C ATOM 1035 O VAL A 74 -0.812 13.256 14.055 1.00 0.00 O ATOM 1036 CB VAL A 74 -2.085 11.898 11.393 1.00 0.00 C ATOM 1037 CG1 VAL A 74 -1.906 10.868 10.275 1.00 0.00 C ATOM 1038 CG2 VAL A 74 -3.577 12.104 11.662 1.00 0.00 C ATOM 0 H VAL A 74 -2.673 9.702 12.405 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.331 11.290 12.485 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.637 12.844 11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.393 11.227 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.843 10.721 10.082 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.354 9.921 10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.064 12.463 10.755 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.026 11.158 11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.705 12.838 12.458 1.00 0.00 H new ATOM 1048 N ALA A 75 -2.737 12.290 14.482 1.00 0.00 N ATOM 1049 CA ALA A 75 -3.019 13.236 15.599 1.00 0.00 C ATOM 1050 C ALA A 75 -2.109 12.911 16.785 1.00 0.00 C ATOM 1051 O ALA A 75 -1.671 13.789 17.502 1.00 0.00 O ATOM 1052 CB ALA A 75 -4.481 13.099 16.026 1.00 0.00 C ATOM 0 H ALA A 75 -3.459 11.589 14.315 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.832 14.257 15.266 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.688 13.790 16.843 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.130 13.331 15.181 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.669 12.078 16.359 1.00 0.00 H new ATOM 1058 N GLN A 76 -1.822 11.656 16.999 1.00 0.00 N ATOM 1059 CA GLN A 76 -0.942 11.276 18.141 1.00 0.00 C ATOM 1060 C GLN A 76 0.508 11.636 17.810 1.00 0.00 C ATOM 1061 O GLN A 76 1.226 12.176 18.627 1.00 0.00 O ATOM 1062 CB GLN A 76 -1.051 9.769 18.388 1.00 0.00 C ATOM 1063 CG GLN A 76 -0.304 9.406 19.674 1.00 0.00 C ATOM 1064 CD GLN A 76 -0.300 7.887 19.850 1.00 0.00 C ATOM 1065 OE1 GLN A 76 0.289 7.174 19.061 1.00 0.00 O ATOM 1066 NE2 GLN A 76 -0.937 7.356 20.859 1.00 0.00 N ATOM 0 H GLN A 76 -2.159 10.877 16.433 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.254 11.815 19.036 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.098 9.478 18.469 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.632 9.220 17.544 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.719 9.780 19.631 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.782 9.881 20.531 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.431 7.954 21.521 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.940 6.344 20.985 1.00 0.00 H new ATOM 1075 N ILE A 77 0.944 11.341 16.615 1.00 0.00 N ATOM 1076 CA ILE A 77 2.347 11.668 16.231 1.00 0.00 C ATOM 1077 C ILE A 77 2.599 13.161 16.441 1.00 0.00 C ATOM 1078 O ILE A 77 3.595 13.560 17.011 1.00 0.00 O ATOM 1079 CB ILE A 77 2.565 11.321 14.756 1.00 0.00 C ATOM 1080 CG1 ILE A 77 2.424 9.811 14.558 1.00 0.00 C ATOM 1081 CG2 ILE A 77 3.967 11.761 14.331 1.00 0.00 C ATOM 1082 CD1 ILE A 77 2.477 9.487 13.063 1.00 0.00 C ATOM 0 H ILE A 77 0.389 10.888 15.889 1.00 0.00 H new ATOM 0 HA ILE A 77 3.036 11.091 16.849 1.00 0.00 H new ATOM 0 HB ILE A 77 1.821 11.837 14.149 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.223 9.288 15.083 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.482 9.464 14.983 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.123 11.514 13.281 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.068 12.837 14.470 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.710 11.245 14.939 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.377 8.411 12.920 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.662 9.999 12.551 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.430 9.820 12.652 1.00 0.00 H new ATOM 1094 N ALA A 78 1.704 13.986 15.980 1.00 0.00 N ATOM 1095 CA ALA A 78 1.885 15.456 16.145 1.00 0.00 C ATOM 1096 C ALA A 78 1.513 15.867 17.570 1.00 0.00 C ATOM 1097 O ALA A 78 2.279 16.511 18.260 1.00 0.00 O ATOM 1098 CB ALA A 78 0.982 16.191 15.154 1.00 0.00 C ATOM 0 H ALA A 78 0.852 13.706 15.494 1.00 0.00 H new ATOM 0 HA ALA A 78 2.927 15.714 15.956 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.112 17.267 15.272 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.248 15.903 14.137 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.058 15.928 15.346 1.00 0.00 H new ATOM 1104 N ALA A 79 0.344 15.502 18.020 1.00 0.00 N ATOM 1105 CA ALA A 79 -0.070 15.878 19.401 1.00 0.00 C ATOM 1106 C ALA A 79 0.950 15.328 20.398 1.00 0.00 C ATOM 1107 O ALA A 79 1.165 15.887 21.455 1.00 0.00 O ATOM 1108 CB ALA A 79 -1.448 15.287 19.702 1.00 0.00 C ATOM 0 H ALA A 79 -0.341 14.961 17.492 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.118 16.964 19.486 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.749 15.563 20.713 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.174 15.675 18.988 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.404 14.201 19.620 1.00 0.00 H new ATOM 1114 N SER A 80 1.583 14.237 20.066 1.00 0.00 N ATOM 1115 CA SER A 80 2.593 13.652 20.990 1.00 0.00 C ATOM 1116 C SER A 80 3.819 14.566 21.043 1.00 0.00 C ATOM 1117 O SER A 80 4.606 14.515 21.967 1.00 0.00 O ATOM 1118 CB SER A 80 3.009 12.270 20.482 1.00 0.00 C ATOM 1119 OG SER A 80 4.111 11.797 21.243 1.00 0.00 O ATOM 0 H SER A 80 1.444 13.726 19.194 1.00 0.00 H new ATOM 0 HA SER A 80 2.164 13.557 21.988 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.173 11.575 20.562 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.279 12.325 19.427 1.00 0.00 H new ATOM 0 HG SER A 80 4.376 10.911 20.919 1.00 0.00 H new ATOM 1125 N GLN A 81 3.986 15.405 20.055 1.00 0.00 N ATOM 1126 CA GLN A 81 5.159 16.324 20.045 1.00 0.00 C ATOM 1127 C GLN A 81 5.193 17.127 21.346 1.00 0.00 C ATOM 1128 O GLN A 81 6.242 17.512 21.823 1.00 0.00 O ATOM 1129 CB GLN A 81 5.045 17.283 18.858 1.00 0.00 C ATOM 1130 CG GLN A 81 5.210 16.504 17.553 1.00 0.00 C ATOM 1131 CD GLN A 81 5.274 17.483 16.379 1.00 0.00 C ATOM 1132 OE1 GLN A 81 6.342 17.900 15.977 1.00 0.00 O ATOM 1133 NE2 GLN A 81 4.167 17.873 15.810 1.00 0.00 N ATOM 0 H GLN A 81 3.360 15.493 19.255 1.00 0.00 H new ATOM 0 HA GLN A 81 6.075 15.740 19.956 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.077 17.785 18.874 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.807 18.059 18.929 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.118 15.902 17.589 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.376 15.815 17.421 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.270 17.523 16.147 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.198 18.527 15.028 1.00 0.00 H new ATOM 1142 N GLY A 82 4.052 17.385 21.925 1.00 0.00 N ATOM 1143 CA GLY A 82 4.020 18.165 23.194 1.00 0.00 C ATOM 1144 C GLY A 82 4.114 19.658 22.876 1.00 0.00 C ATOM 1145 O GLY A 82 4.344 20.475 23.747 1.00 0.00 O ATOM 0 H GLY A 82 3.141 17.089 21.574 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.100 17.955 23.739 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.847 17.866 23.838 1.00 0.00 H new ATOM 1149 N GLY A 83 3.938 20.023 21.636 1.00 0.00 N ATOM 1150 CA GLY A 83 4.017 21.464 21.263 1.00 0.00 C ATOM 1151 C GLY A 83 2.605 22.041 21.157 1.00 0.00 C ATOM 1152 O GLY A 83 1.669 21.527 21.737 1.00 0.00 O ATOM 0 H GLY A 83 3.743 19.385 20.864 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.591 22.013 22.010 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.540 21.577 20.313 1.00 0.00 H new ATOM 1156 N ASP A 84 2.440 23.106 20.420 1.00 0.00 N ATOM 1157 CA ASP A 84 1.085 23.710 20.279 1.00 0.00 C ATOM 1158 C ASP A 84 0.203 22.788 19.436 1.00 0.00 C ATOM 1159 O ASP A 84 0.256 22.802 18.224 1.00 0.00 O ATOM 1160 CB ASP A 84 1.200 25.073 19.593 1.00 0.00 C ATOM 1161 CG ASP A 84 -0.155 25.782 19.639 1.00 0.00 C ATOM 1162 OD1 ASP A 84 -1.050 25.264 20.286 1.00 0.00 O ATOM 1163 OD2 ASP A 84 -0.274 26.830 19.025 1.00 0.00 O ATOM 0 H ASP A 84 3.184 23.583 19.910 1.00 0.00 H new ATOM 0 HA ASP A 84 0.640 23.838 21.266 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.957 25.680 20.090 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.521 24.946 18.559 1.00 0.00 H new ATOM 1168 N LEU A 85 -0.608 21.986 20.068 1.00 0.00 N ATOM 1169 CA LEU A 85 -1.492 21.065 19.299 1.00 0.00 C ATOM 1170 C LEU A 85 -2.371 21.879 18.346 1.00 0.00 C ATOM 1171 O LEU A 85 -2.954 21.349 17.420 1.00 0.00 O ATOM 1172 CB LEU A 85 -2.379 20.285 20.271 1.00 0.00 C ATOM 1173 CG LEU A 85 -3.152 19.209 19.507 1.00 0.00 C ATOM 1174 CD1 LEU A 85 -3.463 18.041 20.446 1.00 0.00 C ATOM 1175 CD2 LEU A 85 -4.461 19.801 18.979 1.00 0.00 C ATOM 0 H LEU A 85 -0.697 21.928 21.082 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.882 20.369 18.724 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.768 19.826 21.048 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.073 20.962 20.769 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.550 18.853 18.671 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.014 17.274 19.902 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.531 17.620 20.824 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.066 18.397 21.282 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.013 19.035 18.434 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.063 20.156 19.815 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.240 20.634 18.311 1.00 0.00 H new ATOM 1187 N GLY A 86 -2.471 23.161 18.566 1.00 0.00 N ATOM 1188 CA GLY A 86 -3.315 24.006 17.674 1.00 0.00 C ATOM 1189 C GLY A 86 -2.714 24.034 16.265 1.00 0.00 C ATOM 1190 O GLY A 86 -3.423 24.005 15.280 1.00 0.00 O ATOM 0 H GLY A 86 -2.005 23.660 19.324 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.331 23.612 17.638 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.380 25.019 18.072 1.00 0.00 H new ATOM 1194 N VAL A 87 -1.414 24.095 16.161 1.00 0.00 N ATOM 1195 CA VAL A 87 -0.778 24.129 14.813 1.00 0.00 C ATOM 1196 C VAL A 87 -0.946 22.770 14.132 1.00 0.00 C ATOM 1197 O VAL A 87 -1.159 22.689 12.938 1.00 0.00 O ATOM 1198 CB VAL A 87 0.713 24.454 14.954 1.00 0.00 C ATOM 1199 CG1 VAL A 87 1.467 23.224 15.466 1.00 0.00 C ATOM 1200 CG2 VAL A 87 1.275 24.862 13.590 1.00 0.00 C ATOM 0 H VAL A 87 -0.767 24.123 16.949 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.258 24.898 14.207 1.00 0.00 H new ATOM 0 HB VAL A 87 0.837 25.273 15.663 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.526 23.461 15.564 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.069 22.932 16.438 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.343 22.402 14.761 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.336 25.094 13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.146 24.042 12.883 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.744 25.741 13.226 1.00 0.00 H new ATOM 1210 N THR A 88 -0.855 21.701 14.874 1.00 0.00 N ATOM 1211 CA THR A 88 -1.015 20.361 14.249 1.00 0.00 C ATOM 1212 C THR A 88 -2.308 20.349 13.440 1.00 0.00 C ATOM 1213 O THR A 88 -2.411 19.695 12.421 1.00 0.00 O ATOM 1214 CB THR A 88 -1.084 19.284 15.331 1.00 0.00 C ATOM 1215 OG1 THR A 88 0.170 19.201 15.996 1.00 0.00 O ATOM 1216 CG2 THR A 88 -1.411 17.938 14.683 1.00 0.00 C ATOM 0 H THR A 88 -0.678 21.698 15.879 1.00 0.00 H new ATOM 0 HA THR A 88 -0.163 20.157 13.600 1.00 0.00 H new ATOM 0 HB THR A 88 -1.860 19.538 16.053 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.083 18.632 16.789 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.461 17.167 15.452 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.372 18.004 14.172 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.634 17.682 13.963 1.00 0.00 H new ATOM 1224 N THR A 89 -3.294 21.082 13.878 1.00 0.00 N ATOM 1225 CA THR A 89 -4.572 21.125 13.122 1.00 0.00 C ATOM 1226 C THR A 89 -4.281 21.654 11.720 1.00 0.00 C ATOM 1227 O THR A 89 -4.709 21.094 10.729 1.00 0.00 O ATOM 1228 CB THR A 89 -5.560 22.056 13.832 1.00 0.00 C ATOM 1229 OG1 THR A 89 -5.630 21.708 15.208 1.00 0.00 O ATOM 1230 CG2 THR A 89 -6.945 21.916 13.197 1.00 0.00 C ATOM 0 H THR A 89 -3.268 21.651 14.724 1.00 0.00 H new ATOM 0 HA THR A 89 -5.009 20.128 13.064 1.00 0.00 H new ATOM 0 HB THR A 89 -5.222 23.088 13.734 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.014 22.272 15.720 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.646 22.579 13.704 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.890 22.184 12.142 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.287 20.885 13.293 1.00 0.00 H new ATOM 1238 N ASN A 90 -3.539 22.724 11.630 1.00 0.00 N ATOM 1239 CA ASN A 90 -3.200 23.285 10.295 1.00 0.00 C ATOM 1240 C ASN A 90 -2.214 22.346 9.595 1.00 0.00 C ATOM 1241 O ASN A 90 -2.229 22.201 8.390 1.00 0.00 O ATOM 1242 CB ASN A 90 -2.554 24.662 10.466 1.00 0.00 C ATOM 1243 CG ASN A 90 -3.524 25.597 11.191 1.00 0.00 C ATOM 1244 OD1 ASN A 90 -3.150 26.271 12.130 1.00 0.00 O ATOM 1245 ND2 ASN A 90 -4.765 25.668 10.791 1.00 0.00 N ATOM 0 H ASN A 90 -3.153 23.233 12.425 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.107 23.383 9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.627 24.572 11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.293 25.076 9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.419 26.289 11.267 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.080 25.102 10.003 1.00 0.00 H new ATOM 1252 N ALA A 91 -1.357 21.709 10.348 1.00 0.00 N ATOM 1253 CA ALA A 91 -0.366 20.779 9.734 1.00 0.00 C ATOM 1254 C ALA A 91 -1.076 19.516 9.245 1.00 0.00 C ATOM 1255 O ALA A 91 -1.038 19.185 8.077 1.00 0.00 O ATOM 1256 CB ALA A 91 0.686 20.395 10.778 1.00 0.00 C ATOM 0 H ALA A 91 -1.301 21.793 11.363 1.00 0.00 H new ATOM 0 HA ALA A 91 0.116 21.273 8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.411 19.715 10.331 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.197 21.292 11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.200 19.904 11.621 1.00 0.00 H new ATOM 1262 N ILE A 92 -1.722 18.808 10.129 1.00 0.00 N ATOM 1263 CA ILE A 92 -2.431 17.564 9.717 1.00 0.00 C ATOM 1264 C ILE A 92 -3.550 17.913 8.733 1.00 0.00 C ATOM 1265 O ILE A 92 -3.752 17.237 7.744 1.00 0.00 O ATOM 1266 CB ILE A 92 -3.031 16.889 10.952 1.00 0.00 C ATOM 1267 CG1 ILE A 92 -1.906 16.410 11.870 1.00 0.00 C ATOM 1268 CG2 ILE A 92 -3.880 15.692 10.518 1.00 0.00 C ATOM 1269 CD1 ILE A 92 -2.506 15.696 13.083 1.00 0.00 C ATOM 0 H ILE A 92 -1.790 19.037 11.121 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.725 16.886 9.237 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.657 17.603 11.487 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.243 15.735 11.329 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.302 17.257 12.195 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.307 15.211 11.398 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.683 16.033 9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.255 14.978 9.982 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.704 15.354 13.738 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.151 16.385 13.628 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.091 14.839 12.748 1.00 0.00 H new ATOM 1281 N ALA A 93 -4.279 18.961 8.998 1.00 0.00 N ATOM 1282 CA ALA A 93 -5.389 19.348 8.079 1.00 0.00 C ATOM 1283 C ALA A 93 -4.822 19.704 6.703 1.00 0.00 C ATOM 1284 O ALA A 93 -5.257 19.188 5.692 1.00 0.00 O ATOM 1285 CB ALA A 93 -6.127 20.558 8.653 1.00 0.00 C ATOM 0 H ALA A 93 -4.156 19.566 9.810 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.080 18.511 7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.938 20.841 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.537 20.304 9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.433 21.392 8.756 1.00 0.00 H new ATOM 1291 N ASP A 94 -3.859 20.581 6.652 1.00 0.00 N ATOM 1292 CA ASP A 94 -3.274 20.965 5.336 1.00 0.00 C ATOM 1293 C ASP A 94 -2.792 19.708 4.610 1.00 0.00 C ATOM 1294 O ASP A 94 -3.112 19.483 3.460 1.00 0.00 O ATOM 1295 CB ASP A 94 -2.092 21.909 5.557 1.00 0.00 C ATOM 1296 CG ASP A 94 -1.789 22.662 4.261 1.00 0.00 C ATOM 1297 OD1 ASP A 94 -2.518 22.469 3.302 1.00 0.00 O ATOM 1298 OD2 ASP A 94 -0.831 23.418 4.249 1.00 0.00 O ATOM 0 H ASP A 94 -3.452 21.048 7.462 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.031 21.468 4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.322 22.615 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.216 21.343 5.874 1.00 0.00 H new ATOM 1303 N ALA A 95 -2.026 18.888 5.272 1.00 0.00 N ATOM 1304 CA ALA A 95 -1.525 17.647 4.621 1.00 0.00 C ATOM 1305 C ALA A 95 -2.711 16.831 4.104 1.00 0.00 C ATOM 1306 O ALA A 95 -2.702 16.340 2.993 1.00 0.00 O ATOM 1307 CB ALA A 95 -0.741 16.817 5.639 1.00 0.00 C ATOM 0 H ALA A 95 -1.725 19.024 6.237 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.873 17.911 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.374 15.908 5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.103 17.398 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.393 16.552 6.472 1.00 0.00 H new ATOM 1313 N LEU A 96 -3.732 16.680 4.903 1.00 0.00 N ATOM 1314 CA LEU A 96 -4.918 15.893 4.459 1.00 0.00 C ATOM 1315 C LEU A 96 -5.668 16.662 3.370 1.00 0.00 C ATOM 1316 O LEU A 96 -6.238 16.081 2.468 1.00 0.00 O ATOM 1317 CB LEU A 96 -5.850 15.661 5.651 1.00 0.00 C ATOM 1318 CG LEU A 96 -6.093 14.160 5.818 1.00 0.00 C ATOM 1319 CD1 LEU A 96 -5.626 13.717 7.204 1.00 0.00 C ATOM 1320 CD2 LEU A 96 -7.586 13.861 5.664 1.00 0.00 C ATOM 0 H LEU A 96 -3.796 17.068 5.844 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.587 14.934 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.408 16.073 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.796 16.179 5.494 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.534 13.618 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.800 12.647 7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.562 13.926 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.183 14.261 7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.757 12.791 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.146 14.405 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.919 14.174 4.674 1.00 0.00 H new ATOM 1332 N THR A 97 -5.680 17.964 3.451 1.00 0.00 N ATOM 1333 CA THR A 97 -6.401 18.770 2.426 1.00 0.00 C ATOM 1334 C THR A 97 -5.676 18.676 1.081 1.00 0.00 C ATOM 1335 O THR A 97 -6.278 18.420 0.058 1.00 0.00 O ATOM 1336 CB THR A 97 -6.454 20.231 2.877 1.00 0.00 C ATOM 1337 OG1 THR A 97 -7.139 20.316 4.119 1.00 0.00 O ATOM 1338 CG2 THR A 97 -7.192 21.065 1.828 1.00 0.00 C ATOM 0 H THR A 97 -5.221 18.505 4.184 1.00 0.00 H new ATOM 0 HA THR A 97 -7.414 18.383 2.312 1.00 0.00 H new ATOM 0 HB THR A 97 -5.440 20.613 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.496 20.228 4.854 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.229 22.106 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.667 20.999 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.207 20.686 1.710 1.00 0.00 H new ATOM 1346 N SER A 98 -4.389 18.888 1.073 1.00 0.00 N ATOM 1347 CA SER A 98 -3.630 18.817 -0.208 1.00 0.00 C ATOM 1348 C SER A 98 -3.725 17.407 -0.792 1.00 0.00 C ATOM 1349 O SER A 98 -3.760 17.223 -1.992 1.00 0.00 O ATOM 1350 CB SER A 98 -2.162 19.161 0.049 1.00 0.00 C ATOM 1351 OG SER A 98 -1.568 18.141 0.838 1.00 0.00 O ATOM 0 H SER A 98 -3.830 19.107 1.897 1.00 0.00 H new ATOM 0 HA SER A 98 -4.056 19.529 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.630 19.260 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.086 20.121 0.560 1.00 0.00 H new ATOM 0 HG SER A 98 -2.222 17.807 1.487 1.00 0.00 H new ATOM 1357 N ALA A 99 -3.762 16.408 0.045 1.00 0.00 N ATOM 1358 CA ALA A 99 -3.848 15.010 -0.466 1.00 0.00 C ATOM 1359 C ALA A 99 -5.229 14.771 -1.082 1.00 0.00 C ATOM 1360 O ALA A 99 -5.358 14.169 -2.129 1.00 0.00 O ATOM 1361 CB ALA A 99 -3.627 14.032 0.689 1.00 0.00 C ATOM 0 H ALA A 99 -3.736 16.498 1.061 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.083 14.855 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.690 13.009 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.642 14.200 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.392 14.189 1.450 1.00 0.00 H new ATOM 1367 N PHE A 100 -6.262 15.240 -0.438 1.00 0.00 N ATOM 1368 CA PHE A 100 -7.636 15.041 -0.980 1.00 0.00 C ATOM 1369 C PHE A 100 -7.661 15.391 -2.470 1.00 0.00 C ATOM 1370 O PHE A 100 -8.075 14.606 -3.299 1.00 0.00 O ATOM 1371 CB PHE A 100 -8.606 15.963 -0.237 1.00 0.00 C ATOM 1372 CG PHE A 100 -9.401 15.170 0.771 1.00 0.00 C ATOM 1373 CD1 PHE A 100 -10.424 14.314 0.343 1.00 0.00 C ATOM 1374 CD2 PHE A 100 -9.121 15.296 2.137 1.00 0.00 C ATOM 1375 CE1 PHE A 100 -11.165 13.585 1.282 1.00 0.00 C ATOM 1376 CE2 PHE A 100 -9.860 14.567 3.075 1.00 0.00 C ATOM 1377 CZ PHE A 100 -10.883 13.713 2.649 1.00 0.00 C ATOM 0 H PHE A 100 -6.214 15.754 0.442 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.929 14.000 -0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.053 16.756 0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -9.279 16.444 -0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.641 14.216 -0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.333 15.957 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.953 12.924 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.641 14.664 4.128 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.455 13.152 3.373 1.00 0.00 H new ATOM 1387 N TYR A 101 -7.233 16.575 -2.810 1.00 0.00 N ATOM 1388 CA TYR A 101 -7.242 17.000 -4.238 1.00 0.00 C ATOM 1389 C TYR A 101 -6.162 16.254 -5.026 1.00 0.00 C ATOM 1390 O TYR A 101 -6.319 15.975 -6.199 1.00 0.00 O ATOM 1391 CB TYR A 101 -6.983 18.504 -4.302 1.00 0.00 C ATOM 1392 CG TYR A 101 -7.775 19.183 -3.209 1.00 0.00 C ATOM 1393 CD1 TYR A 101 -9.131 18.877 -3.039 1.00 0.00 C ATOM 1394 CD2 TYR A 101 -7.156 20.113 -2.364 1.00 0.00 C ATOM 1395 CE1 TYR A 101 -9.869 19.500 -2.026 1.00 0.00 C ATOM 1396 CE2 TYR A 101 -7.895 20.738 -1.351 1.00 0.00 C ATOM 1397 CZ TYR A 101 -9.252 20.431 -1.182 1.00 0.00 C ATOM 1398 OH TYR A 101 -9.980 21.046 -0.184 1.00 0.00 O ATOM 0 H TYR A 101 -6.875 17.271 -2.156 1.00 0.00 H new ATOM 0 HA TYR A 101 -8.211 16.767 -4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.919 18.709 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -7.273 18.896 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.608 18.159 -3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.110 20.348 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -10.914 19.262 -1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.419 21.456 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.904 20.721 -0.206 1.00 0.00 H new ATOM 1408 N GLN A 102 -5.066 15.937 -4.399 1.00 0.00 N ATOM 1409 CA GLN A 102 -3.976 15.219 -5.120 1.00 0.00 C ATOM 1410 C GLN A 102 -4.293 13.722 -5.199 1.00 0.00 C ATOM 1411 O GLN A 102 -3.722 13.003 -5.996 1.00 0.00 O ATOM 1412 CB GLN A 102 -2.658 15.413 -4.367 1.00 0.00 C ATOM 1413 CG GLN A 102 -2.362 16.908 -4.236 1.00 0.00 C ATOM 1414 CD GLN A 102 -1.773 17.431 -5.547 1.00 0.00 C ATOM 1415 OE1 GLN A 102 -0.899 16.813 -6.124 1.00 0.00 O ATOM 1416 NE2 GLN A 102 -2.218 18.552 -6.045 1.00 0.00 N ATOM 0 H GLN A 102 -4.876 16.143 -3.418 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.892 15.622 -6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.720 14.956 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.846 14.916 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.276 17.450 -3.994 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -1.663 17.080 -3.417 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.951 19.070 -5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.833 18.910 -6.919 1.00 0.00 H new ATOM 1425 N THR A 103 -5.179 13.240 -4.373 1.00 0.00 N ATOM 1426 CA THR A 103 -5.495 11.784 -4.401 1.00 0.00 C ATOM 1427 C THR A 103 -6.808 11.520 -5.145 1.00 0.00 C ATOM 1428 O THR A 103 -6.841 10.785 -6.112 1.00 0.00 O ATOM 1429 CB THR A 103 -5.617 11.268 -2.968 1.00 0.00 C ATOM 1430 OG1 THR A 103 -6.594 12.030 -2.273 1.00 0.00 O ATOM 1431 CG2 THR A 103 -4.267 11.397 -2.262 1.00 0.00 C ATOM 0 H THR A 103 -5.695 13.787 -3.684 1.00 0.00 H new ATOM 0 HA THR A 103 -4.691 11.266 -4.924 1.00 0.00 H new ATOM 0 HB THR A 103 -5.918 10.220 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.263 12.943 -2.140 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.354 11.029 -1.240 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.519 10.811 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.963 12.444 -2.246 1.00 0.00 H new ATOM 1439 N THR A 104 -7.899 12.087 -4.696 1.00 0.00 N ATOM 1440 CA THR A 104 -9.196 11.823 -5.386 1.00 0.00 C ATOM 1441 C THR A 104 -9.880 13.136 -5.784 1.00 0.00 C ATOM 1442 O THR A 104 -10.409 13.259 -6.871 1.00 0.00 O ATOM 1443 CB THR A 104 -10.110 11.039 -4.442 1.00 0.00 C ATOM 1444 OG1 THR A 104 -9.591 9.728 -4.265 1.00 0.00 O ATOM 1445 CG2 THR A 104 -11.515 10.956 -5.039 1.00 0.00 C ATOM 0 H THR A 104 -7.948 12.713 -3.892 1.00 0.00 H new ATOM 0 HA THR A 104 -9.003 11.248 -6.291 1.00 0.00 H new ATOM 0 HB THR A 104 -10.158 11.546 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.306 9.369 -5.131 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.164 10.397 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.913 11.962 -5.175 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.471 10.450 -6.003 1.00 0.00 H new ATOM 1453 N GLY A 105 -9.882 14.117 -4.924 1.00 0.00 N ATOM 1454 CA GLY A 105 -10.541 15.408 -5.278 1.00 0.00 C ATOM 1455 C GLY A 105 -11.845 15.561 -4.489 1.00 0.00 C ATOM 1456 O GLY A 105 -12.873 15.912 -5.032 1.00 0.00 O ATOM 0 H GLY A 105 -9.459 14.082 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.872 16.240 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.747 15.440 -6.348 1.00 0.00 H new ATOM 1460 N VAL A 106 -11.809 15.304 -3.210 1.00 0.00 N ATOM 1461 CA VAL A 106 -13.044 15.436 -2.386 1.00 0.00 C ATOM 1462 C VAL A 106 -12.859 16.566 -1.373 1.00 0.00 C ATOM 1463 O VAL A 106 -11.786 17.119 -1.234 1.00 0.00 O ATOM 1464 CB VAL A 106 -13.300 14.128 -1.639 1.00 0.00 C ATOM 1465 CG1 VAL A 106 -14.729 14.121 -1.094 1.00 0.00 C ATOM 1466 CG2 VAL A 106 -13.113 12.951 -2.599 1.00 0.00 C ATOM 0 H VAL A 106 -10.977 15.008 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 106 -13.891 15.659 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 106 -12.597 14.038 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.911 13.188 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -14.862 14.960 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -15.434 14.210 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.295 12.016 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -13.816 13.041 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.094 12.956 -2.986 1.00 0.00 H new ATOM 1476 N VAL A 107 -13.896 16.914 -0.661 1.00 0.00 N ATOM 1477 CA VAL A 107 -13.771 18.007 0.343 1.00 0.00 C ATOM 1478 C VAL A 107 -12.973 17.500 1.546 1.00 0.00 C ATOM 1479 O VAL A 107 -13.356 16.550 2.201 1.00 0.00 O ATOM 1480 CB VAL A 107 -15.164 18.439 0.805 1.00 0.00 C ATOM 1481 CG1 VAL A 107 -15.794 19.350 -0.251 1.00 0.00 C ATOM 1482 CG2 VAL A 107 -16.043 17.201 1.003 1.00 0.00 C ATOM 0 H VAL A 107 -14.821 16.490 -0.731 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.258 18.857 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.082 18.980 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.786 19.657 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.169 20.232 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -15.876 18.811 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -17.036 17.508 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.125 16.659 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -15.595 16.554 1.757 1.00 0.00 H new ATOM 1492 N ASN A 108 -11.869 18.126 1.844 1.00 0.00 N ATOM 1493 CA ASN A 108 -11.050 17.684 3.007 1.00 0.00 C ATOM 1494 C ASN A 108 -11.776 18.030 4.307 1.00 0.00 C ATOM 1495 O ASN A 108 -11.552 17.427 5.339 1.00 0.00 O ATOM 1496 CB ASN A 108 -9.696 18.393 2.974 1.00 0.00 C ATOM 1497 CG ASN A 108 -9.899 19.887 3.235 1.00 0.00 C ATOM 1498 OD1 ASN A 108 -10.015 20.306 4.369 1.00 0.00 O ATOM 1499 ND2 ASN A 108 -9.947 20.713 2.225 1.00 0.00 N ATOM 0 H ASN A 108 -11.498 18.926 1.332 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.898 16.606 2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -9.032 17.968 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -9.218 18.243 2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -10.082 21.711 2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -9.849 20.361 1.273 1.00 0.00 H new ATOM 1506 N SER A 109 -12.637 19.004 4.262 1.00 0.00 N ATOM 1507 CA SER A 109 -13.379 19.414 5.486 1.00 0.00 C ATOM 1508 C SER A 109 -14.128 18.218 6.080 1.00 0.00 C ATOM 1509 O SER A 109 -14.346 18.146 7.270 1.00 0.00 O ATOM 1510 CB SER A 109 -14.385 20.508 5.126 1.00 0.00 C ATOM 1511 OG SER A 109 -14.995 20.999 6.311 1.00 0.00 O ATOM 0 H SER A 109 -12.861 19.539 3.423 1.00 0.00 H new ATOM 0 HA SER A 109 -12.667 19.789 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.883 21.320 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.144 20.112 4.451 1.00 0.00 H new ATOM 0 HG SER A 109 -15.639 21.701 6.081 1.00 0.00 H new ATOM 1517 N ARG A 110 -14.542 17.288 5.266 1.00 0.00 N ATOM 1518 CA ARG A 110 -15.294 16.118 5.807 1.00 0.00 C ATOM 1519 C ARG A 110 -14.373 15.248 6.666 1.00 0.00 C ATOM 1520 O ARG A 110 -14.668 14.961 7.809 1.00 0.00 O ATOM 1521 CB ARG A 110 -15.834 15.282 4.646 1.00 0.00 C ATOM 1522 CG ARG A 110 -16.764 16.140 3.788 1.00 0.00 C ATOM 1523 CD ARG A 110 -18.131 16.241 4.467 1.00 0.00 C ATOM 1524 NE ARG A 110 -19.082 16.950 3.567 1.00 0.00 N ATOM 1525 CZ ARG A 110 -20.185 17.455 4.048 1.00 0.00 C ATOM 1526 NH1 ARG A 110 -21.160 16.666 4.410 1.00 0.00 N ATOM 1527 NH2 ARG A 110 -20.313 18.747 4.168 1.00 0.00 N ATOM 0 H ARG A 110 -14.395 17.285 4.257 1.00 0.00 H new ATOM 0 HA ARG A 110 -16.118 16.481 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -15.009 14.905 4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -16.372 14.414 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -16.338 17.134 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -16.870 15.701 2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -18.508 15.245 4.699 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -18.041 16.776 5.412 1.00 0.00 H new ATOM 0 HE ARG A 110 -18.871 17.041 2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -21.059 15.655 4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -22.022 17.060 4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -19.551 19.363 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -21.175 19.141 4.544 1.00 0.00 H new ATOM 1541 N PHE A 111 -13.267 14.820 6.126 1.00 0.00 N ATOM 1542 CA PHE A 111 -12.337 13.963 6.914 1.00 0.00 C ATOM 1543 C PHE A 111 -11.571 14.812 7.931 1.00 0.00 C ATOM 1544 O PHE A 111 -11.554 14.521 9.111 1.00 0.00 O ATOM 1545 CB PHE A 111 -11.344 13.284 5.966 1.00 0.00 C ATOM 1546 CG PHE A 111 -10.483 12.301 6.730 1.00 0.00 C ATOM 1547 CD1 PHE A 111 -10.768 11.997 8.069 1.00 0.00 C ATOM 1548 CD2 PHE A 111 -9.395 11.692 6.094 1.00 0.00 C ATOM 1549 CE1 PHE A 111 -9.966 11.088 8.768 1.00 0.00 C ATOM 1550 CE2 PHE A 111 -8.593 10.782 6.794 1.00 0.00 C ATOM 1551 CZ PHE A 111 -8.879 10.481 8.130 1.00 0.00 C ATOM 0 H PHE A 111 -12.966 15.026 5.173 1.00 0.00 H new ATOM 0 HA PHE A 111 -12.915 13.207 7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -11.883 12.767 5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -10.715 14.035 5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.608 12.465 8.561 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.174 11.924 5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.186 10.855 9.799 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -7.754 10.313 6.302 1.00 0.00 H new ATOM 0 HZ PHE A 111 -8.260 9.779 8.669 1.00 0.00 H new ATOM 1561 N ILE A 112 -10.923 15.849 7.478 1.00 0.00 N ATOM 1562 CA ILE A 112 -10.137 16.711 8.405 1.00 0.00 C ATOM 1563 C ILE A 112 -11.029 17.242 9.532 1.00 0.00 C ATOM 1564 O ILE A 112 -10.570 17.490 10.630 1.00 0.00 O ATOM 1565 CB ILE A 112 -9.555 17.886 7.617 1.00 0.00 C ATOM 1566 CG1 ILE A 112 -8.487 17.370 6.650 1.00 0.00 C ATOM 1567 CG2 ILE A 112 -8.925 18.889 8.584 1.00 0.00 C ATOM 1568 CD1 ILE A 112 -7.884 18.546 5.880 1.00 0.00 C ATOM 0 H ILE A 112 -10.904 16.138 6.500 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.334 16.121 8.847 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.350 18.376 7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.707 16.844 7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -8.926 16.654 5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.511 19.726 8.022 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.685 19.256 9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.130 18.401 9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -7.123 18.178 5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -8.668 19.053 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -7.430 19.246 6.582 1.00 0.00 H new ATOM 1580 N SER A 113 -12.295 17.428 9.275 1.00 0.00 N ATOM 1581 CA SER A 113 -13.200 17.951 10.340 1.00 0.00 C ATOM 1582 C SER A 113 -13.173 17.019 11.555 1.00 0.00 C ATOM 1583 O SER A 113 -13.049 17.457 12.681 1.00 0.00 O ATOM 1584 CB SER A 113 -14.629 18.042 9.803 1.00 0.00 C ATOM 1585 OG SER A 113 -15.540 18.118 10.890 1.00 0.00 O ATOM 0 H SER A 113 -12.741 17.241 8.377 1.00 0.00 H new ATOM 0 HA SER A 113 -12.858 18.942 10.639 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.734 18.920 9.165 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.853 17.171 9.187 1.00 0.00 H new ATOM 0 HG SER A 113 -16.456 18.178 10.546 1.00 0.00 H new ATOM 1591 N GLU A 114 -13.296 15.739 11.338 1.00 0.00 N ATOM 1592 CA GLU A 114 -13.288 14.784 12.484 1.00 0.00 C ATOM 1593 C GLU A 114 -11.873 14.673 13.060 1.00 0.00 C ATOM 1594 O GLU A 114 -11.687 14.561 14.254 1.00 0.00 O ATOM 1595 CB GLU A 114 -13.748 13.406 12.000 1.00 0.00 C ATOM 1596 CG GLU A 114 -13.936 12.480 13.203 1.00 0.00 C ATOM 1597 CD GLU A 114 -14.340 11.088 12.714 1.00 0.00 C ATOM 1598 OE1 GLU A 114 -14.462 10.915 11.512 1.00 0.00 O ATOM 1599 OE2 GLU A 114 -14.521 10.217 13.549 1.00 0.00 O ATOM 0 H GLU A 114 -13.402 15.312 10.418 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.964 15.147 13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -14.683 13.496 11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.012 12.985 11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.012 12.421 13.779 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.701 12.880 13.868 1.00 0.00 H new ATOM 1606 N ILE A 115 -10.876 14.696 12.220 1.00 0.00 N ATOM 1607 CA ILE A 115 -9.476 14.585 12.722 1.00 0.00 C ATOM 1608 C ILE A 115 -9.199 15.691 13.743 1.00 0.00 C ATOM 1609 O ILE A 115 -8.645 15.450 14.796 1.00 0.00 O ATOM 1610 CB ILE A 115 -8.502 14.722 11.550 1.00 0.00 C ATOM 1611 CG1 ILE A 115 -8.839 13.679 10.484 1.00 0.00 C ATOM 1612 CG2 ILE A 115 -7.074 14.502 12.048 1.00 0.00 C ATOM 1613 CD1 ILE A 115 -7.842 13.789 9.330 1.00 0.00 C ATOM 0 H ILE A 115 -10.969 14.787 11.208 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.343 13.614 13.199 1.00 0.00 H new ATOM 0 HB ILE A 115 -8.586 15.720 11.120 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.804 12.678 10.915 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.854 13.833 10.118 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -6.379 14.599 11.214 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.835 15.246 12.808 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.988 13.504 12.477 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -8.082 13.046 8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -7.899 14.786 8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.833 13.614 9.703 1.00 0.00 H new ATOM 1625 N ARG A 116 -9.575 16.902 13.437 1.00 0.00 N ATOM 1626 CA ARG A 116 -9.326 18.020 14.389 1.00 0.00 C ATOM 1627 C ARG A 116 -9.919 17.678 15.756 1.00 0.00 C ATOM 1628 O ARG A 116 -9.265 17.796 16.773 1.00 0.00 O ATOM 1629 CB ARG A 116 -9.975 19.295 13.851 1.00 0.00 C ATOM 1630 CG ARG A 116 -9.207 19.764 12.617 1.00 0.00 C ATOM 1631 CD ARG A 116 -9.607 21.204 12.284 1.00 0.00 C ATOM 1632 NE ARG A 116 -8.964 21.616 11.005 1.00 0.00 N ATOM 1633 CZ ARG A 116 -9.554 22.488 10.231 1.00 0.00 C ATOM 1634 NH1 ARG A 116 -10.600 22.138 9.534 1.00 0.00 N ATOM 1635 NH2 ARG A 116 -9.096 23.707 10.154 1.00 0.00 N ATOM 0 H ARG A 116 -10.043 17.165 12.570 1.00 0.00 H new ATOM 0 HA ARG A 116 -8.252 18.174 14.495 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -11.018 19.107 13.596 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.969 20.072 14.616 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -8.134 19.706 12.800 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -9.422 19.111 11.771 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -10.691 21.281 12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -9.302 21.873 13.089 1.00 0.00 H new ATOM 0 HE ARG A 116 -8.065 21.218 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -10.957 21.184 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -11.061 22.818 8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.277 23.980 10.698 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.557 24.388 9.550 1.00 0.00 H new ATOM 1649 N SER A 117 -11.148 17.248 15.790 1.00 0.00 N ATOM 1650 CA SER A 117 -11.772 16.894 17.093 1.00 0.00 C ATOM 1651 C SER A 117 -10.948 15.789 17.756 1.00 0.00 C ATOM 1652 O SER A 117 -10.838 15.722 18.964 1.00 0.00 O ATOM 1653 CB SER A 117 -13.201 16.399 16.860 1.00 0.00 C ATOM 1654 OG SER A 117 -13.925 17.372 16.122 1.00 0.00 O ATOM 0 H SER A 117 -11.747 17.127 14.973 1.00 0.00 H new ATOM 0 HA SER A 117 -11.798 17.772 17.739 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.186 15.453 16.318 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.692 16.211 17.815 1.00 0.00 H new ATOM 0 HG SER A 117 -14.840 17.054 15.971 1.00 0.00 H new ATOM 1660 N LEU A 118 -10.374 14.920 16.971 1.00 0.00 N ATOM 1661 CA LEU A 118 -9.560 13.812 17.546 1.00 0.00 C ATOM 1662 C LEU A 118 -8.223 14.350 18.062 1.00 0.00 C ATOM 1663 O LEU A 118 -7.750 13.951 19.107 1.00 0.00 O ATOM 1664 CB LEU A 118 -9.302 12.761 16.465 1.00 0.00 C ATOM 1665 CG LEU A 118 -10.636 12.184 15.990 1.00 0.00 C ATOM 1666 CD1 LEU A 118 -10.377 11.104 14.935 1.00 0.00 C ATOM 1667 CD2 LEU A 118 -11.378 11.570 17.178 1.00 0.00 C ATOM 0 H LEU A 118 -10.434 14.929 15.953 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.105 13.364 18.377 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.768 13.209 15.627 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.669 11.966 16.859 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.242 12.979 15.555 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.327 10.692 14.595 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.848 11.542 14.088 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.771 10.309 15.369 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.329 11.159 16.840 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.773 10.775 17.613 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.562 12.338 17.929 1.00 0.00 H new ATOM 1679 N ILE A 119 -7.601 15.248 17.343 1.00 0.00 N ATOM 1680 CA ILE A 119 -6.293 15.789 17.811 1.00 0.00 C ATOM 1681 C ILE A 119 -6.479 16.485 19.161 1.00 0.00 C ATOM 1682 O ILE A 119 -5.606 16.461 20.007 1.00 0.00 O ATOM 1683 CB ILE A 119 -5.751 16.791 16.791 1.00 0.00 C ATOM 1684 CG1 ILE A 119 -5.670 16.127 15.415 1.00 0.00 C ATOM 1685 CG2 ILE A 119 -4.354 17.244 17.220 1.00 0.00 C ATOM 1686 CD1 ILE A 119 -5.463 17.199 14.343 1.00 0.00 C ATOM 0 H ILE A 119 -7.940 15.627 16.459 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.585 14.968 17.920 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.416 17.653 16.739 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -4.848 15.411 15.392 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -6.584 15.569 15.214 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.965 17.959 16.495 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -4.410 17.716 18.201 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -3.691 16.380 17.270 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.405 16.727 13.362 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.300 17.897 14.361 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.536 17.738 14.541 1.00 0.00 H new ATOM 1698 N GLY A 120 -7.607 17.103 19.372 1.00 0.00 N ATOM 1699 CA GLY A 120 -7.845 17.797 20.669 1.00 0.00 C ATOM 1700 C GLY A 120 -8.004 16.757 21.779 1.00 0.00 C ATOM 1701 O GLY A 120 -7.637 16.986 22.915 1.00 0.00 O ATOM 0 H GLY A 120 -8.375 17.158 18.703 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -7.013 18.463 20.896 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -8.740 18.416 20.604 1.00 0.00 H new ATOM 1705 N MET A 121 -8.549 15.615 21.461 1.00 0.00 N ATOM 1706 CA MET A 121 -8.732 14.562 22.500 1.00 0.00 C ATOM 1707 C MET A 121 -7.362 14.074 22.977 1.00 0.00 C ATOM 1708 O MET A 121 -7.139 13.882 24.156 1.00 0.00 O ATOM 1709 CB MET A 121 -9.513 13.389 21.907 1.00 0.00 C ATOM 1710 CG MET A 121 -9.825 12.374 23.009 1.00 0.00 C ATOM 1711 SD MET A 121 -10.630 10.923 22.285 1.00 0.00 S ATOM 1712 CE MET A 121 -9.183 10.270 21.417 1.00 0.00 C ATOM 0 H MET A 121 -8.875 15.365 20.527 1.00 0.00 H new ATOM 0 HA MET A 121 -9.285 14.976 23.343 1.00 0.00 H new ATOM 0 HB2 MET A 121 -10.438 13.746 21.454 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.933 12.915 21.115 1.00 0.00 H new ATOM 0 HG2 MET A 121 -8.907 12.078 23.516 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.473 12.825 23.761 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.064 9.212 21.652 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.319 10.390 20.342 1.00 0.00 H new ATOM 0 HE3 MET A 121 -8.293 10.814 21.733 1.00 0.00 H new ATOM 1722 N PHE A 122 -6.444 13.874 22.073 1.00 0.00 N ATOM 1723 CA PHE A 122 -5.090 13.400 22.479 1.00 0.00 C ATOM 1724 C PHE A 122 -4.427 14.456 23.365 1.00 0.00 C ATOM 1725 O PHE A 122 -3.617 14.145 24.218 1.00 0.00 O ATOM 1726 CB PHE A 122 -4.234 13.167 21.232 1.00 0.00 C ATOM 1727 CG PHE A 122 -4.852 12.074 20.394 1.00 0.00 C ATOM 1728 CD1 PHE A 122 -4.687 10.733 20.759 1.00 0.00 C ATOM 1729 CD2 PHE A 122 -5.592 12.402 19.252 1.00 0.00 C ATOM 1730 CE1 PHE A 122 -5.263 9.720 19.982 1.00 0.00 C ATOM 1731 CE2 PHE A 122 -6.168 11.390 18.475 1.00 0.00 C ATOM 1732 CZ PHE A 122 -6.003 10.049 18.840 1.00 0.00 C ATOM 0 H PHE A 122 -6.572 14.018 21.071 1.00 0.00 H new ATOM 0 HA PHE A 122 -5.182 12.466 23.033 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.160 14.087 20.652 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.220 12.889 21.520 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.116 10.479 21.640 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.719 13.437 18.970 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.136 8.685 20.264 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.739 11.644 17.594 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.447 9.268 18.241 1.00 0.00 H new ATOM 1742 N ALA A 123 -4.764 15.702 23.173 1.00 0.00 N ATOM 1743 CA ALA A 123 -4.154 16.777 24.005 1.00 0.00 C ATOM 1744 C ALA A 123 -4.641 16.641 25.448 1.00 0.00 C ATOM 1745 O ALA A 123 -3.928 16.940 26.386 1.00 0.00 O ATOM 1746 CB ALA A 123 -4.564 18.144 23.454 1.00 0.00 C ATOM 0 H ALA A 123 -5.436 16.022 22.475 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.068 16.686 23.978 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.118 18.930 24.063 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -4.217 18.241 22.425 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -5.650 18.236 23.481 1.00 0.00 H new