USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 530 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 8 ASN : amide:sc= 0.089 K(o=0.12,f=-0.46) USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.0271 USER MOD Set 2.1: A 53 SER OG : rot 102:sc= 1.57 USER MOD Set 2.2: A 56 THR OG1 : rot 87:sc= 0.821 USER MOD Set 3.1: A 37 SER OG : rot 118:sc= 0.714 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.714 X(o=1.4,f=1.2) USER MOD Single : A 1 LEU N :NH3+ -171:sc= 0.515 (180deg=0.315) USER MOD Single : A 2 THR OG1 : rot 41:sc= 0.57 USER MOD Single : A 3 GLN : amide:sc= -0.661 K(o=-0.66,f=-7!) USER MOD Single : A 5 THR OG1 : rot 36:sc= 1.33 USER MOD Single : A 12 MET CE :methyl 141:sc= 0 (180deg=-0.582) USER MOD Single : A 15 ASN : amide:sc= -0.0869 K(o=-0.087,f=-2.6!) USER MOD Single : A 16 SER OG : rot 95:sc= 0.162 USER MOD Single : A 19 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 20 SER OG : rot -78:sc= 0.627 USER MOD Single : A 26 SER OG : rot -41:sc= 0.758 USER MOD Single : A 27 LYS NZ :NH3+ 132:sc= 0.552 (180deg=-0.123) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.426) USER MOD Single : A 33 SER OG : rot 151:sc= 0.114 USER MOD Single : A 41 SER OG : rot 16:sc= 0.872 USER MOD Single : A 42 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 169:sc= 0 (180deg=-0.186) USER MOD Single : A 71 SER OG : rot 27:sc= 0.521 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.215 -17.313 -0.275 1.00 0.00 N ATOM 2 CA LEU A 1 5.336 -16.872 -1.677 1.00 0.00 C ATOM 3 C LEU A 1 5.715 -15.389 -1.762 1.00 0.00 C ATOM 4 O LEU A 1 5.719 -14.691 -0.749 1.00 0.00 O ATOM 5 CB LEU A 1 4.048 -17.161 -2.465 1.00 0.00 C ATOM 6 CG LEU A 1 3.561 -18.619 -2.398 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.240 -18.736 -3.166 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.585 -19.594 -2.992 1.00 0.00 C ATOM 0 H1 LEU A 1 5.109 -18.347 -0.244 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.069 -17.036 0.251 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.382 -16.867 0.159 1.00 0.00 H new ATOM 0 HA LEU A 1 6.141 -17.447 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.257 -16.511 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.211 -16.895 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 1 3.424 -18.884 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.885 -19.766 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.497 -18.078 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.397 -18.447 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.200 -20.612 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.763 -19.342 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.520 -19.522 -2.437 1.00 0.00 H new ATOM 22 N THR A 2 6.054 -14.919 -2.970 1.00 0.00 N ATOM 23 CA THR A 2 6.557 -13.574 -3.221 1.00 0.00 C ATOM 24 C THR A 2 5.892 -13.001 -4.476 1.00 0.00 C ATOM 25 O THR A 2 6.279 -13.348 -5.591 1.00 0.00 O ATOM 26 CB THR A 2 8.086 -13.617 -3.372 1.00 0.00 C ATOM 27 OG1 THR A 2 8.464 -14.543 -4.370 1.00 0.00 O ATOM 28 CG2 THR A 2 8.777 -14.002 -2.060 1.00 0.00 C ATOM 0 H THR A 2 5.982 -15.483 -3.817 1.00 0.00 H new ATOM 0 HA THR A 2 6.314 -12.924 -2.380 1.00 0.00 H new ATOM 0 HB THR A 2 8.402 -12.613 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.847 -14.477 -5.128 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.857 -14.021 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.530 -13.271 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.437 -14.989 -1.745 1.00 0.00 H new ATOM 36 N GLN A 3 4.894 -12.127 -4.289 1.00 0.00 N ATOM 37 CA GLN A 3 4.161 -11.454 -5.358 1.00 0.00 C ATOM 38 C GLN A 3 4.216 -9.941 -5.128 1.00 0.00 C ATOM 39 O GLN A 3 4.649 -9.484 -4.071 1.00 0.00 O ATOM 40 CB GLN A 3 2.708 -11.958 -5.411 1.00 0.00 C ATOM 41 CG GLN A 3 2.551 -13.283 -6.174 1.00 0.00 C ATOM 42 CD GLN A 3 3.242 -14.477 -5.515 1.00 0.00 C ATOM 43 OE1 GLN A 3 3.271 -14.593 -4.294 1.00 0.00 O ATOM 44 NE2 GLN A 3 3.802 -15.377 -6.324 1.00 0.00 N ATOM 0 H GLN A 3 4.568 -11.864 -3.359 1.00 0.00 H new ATOM 0 HA GLN A 3 4.622 -11.680 -6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.338 -12.087 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.085 -11.199 -5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.489 -13.505 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.950 -13.158 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.760 -15.250 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.273 -16.192 -5.932 1.00 0.00 H new ATOM 53 N GLU A 4 3.785 -9.169 -6.134 1.00 0.00 N ATOM 54 CA GLU A 4 3.794 -7.713 -6.120 1.00 0.00 C ATOM 55 C GLU A 4 2.431 -7.187 -6.572 1.00 0.00 C ATOM 56 O GLU A 4 1.759 -7.825 -7.382 1.00 0.00 O ATOM 57 CB GLU A 4 4.917 -7.183 -7.021 1.00 0.00 C ATOM 58 CG GLU A 4 6.288 -7.742 -6.617 1.00 0.00 C ATOM 59 CD GLU A 4 7.417 -7.062 -7.386 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.688 -5.881 -7.078 1.00 0.00 O ATOM 61 OE2 GLU A 4 7.989 -7.733 -8.272 1.00 0.00 O ATOM 0 H GLU A 4 3.412 -9.557 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 4 3.982 -7.360 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.707 -7.450 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.940 -6.094 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.439 -7.601 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.314 -8.816 -6.804 1.00 0.00 H new ATOM 68 N THR A 5 2.026 -6.030 -6.034 1.00 0.00 N ATOM 69 CA THR A 5 0.752 -5.383 -6.321 1.00 0.00 C ATOM 70 C THR A 5 0.943 -3.867 -6.275 1.00 0.00 C ATOM 71 O THR A 5 1.779 -3.371 -5.520 1.00 0.00 O ATOM 72 CB THR A 5 -0.325 -5.868 -5.330 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.573 -5.267 -5.598 1.00 0.00 O ATOM 74 CG2 THR A 5 0.018 -5.566 -3.867 1.00 0.00 C ATOM 0 H THR A 5 2.596 -5.508 -5.369 1.00 0.00 H new ATOM 0 HA THR A 5 0.407 -5.651 -7.320 1.00 0.00 H new ATOM 0 HB THR A 5 -0.368 -6.948 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.680 -5.153 -6.565 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.781 -5.933 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.953 -6.060 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.126 -4.490 -3.733 1.00 0.00 H new ATOM 82 N VAL A 6 0.166 -3.141 -7.087 1.00 0.00 N ATOM 83 CA VAL A 6 0.135 -1.687 -7.107 1.00 0.00 C ATOM 84 C VAL A 6 -1.295 -1.256 -6.794 1.00 0.00 C ATOM 85 O VAL A 6 -2.240 -1.729 -7.427 1.00 0.00 O ATOM 86 CB VAL A 6 0.615 -1.126 -8.458 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.782 0.398 -8.364 1.00 0.00 C ATOM 88 CG2 VAL A 6 1.960 -1.737 -8.873 1.00 0.00 C ATOM 0 H VAL A 6 -0.471 -3.565 -7.762 1.00 0.00 H new ATOM 0 HA VAL A 6 0.820 -1.287 -6.360 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.137 -1.382 -9.204 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.122 0.787 -9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.174 0.854 -8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.517 0.637 -7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.269 -1.319 -9.831 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.712 -1.509 -8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.855 -2.818 -8.966 1.00 0.00 H new ATOM 98 N ILE A 7 -1.436 -0.363 -5.810 1.00 0.00 N ATOM 99 CA ILE A 7 -2.707 0.150 -5.329 1.00 0.00 C ATOM 100 C ILE A 7 -2.664 1.669 -5.485 1.00 0.00 C ATOM 101 O ILE A 7 -1.729 2.302 -5.004 1.00 0.00 O ATOM 102 CB ILE A 7 -2.912 -0.286 -3.861 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.768 -1.817 -3.739 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.281 0.178 -3.344 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.053 -2.356 -2.334 1.00 0.00 C ATOM 0 H ILE A 7 -0.637 0.031 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.551 -0.243 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.145 0.184 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.448 -2.294 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.756 -2.101 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.405 -0.139 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.342 1.265 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.069 -0.262 -3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.931 -3.439 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.357 -1.909 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.074 -2.104 -2.048 1.00 0.00 H new ATOM 117 N ASN A 8 -3.663 2.256 -6.152 1.00 0.00 N ATOM 118 CA ASN A 8 -3.832 3.702 -6.240 1.00 0.00 C ATOM 119 C ASN A 8 -4.192 4.225 -4.852 1.00 0.00 C ATOM 120 O ASN A 8 -5.062 3.652 -4.200 1.00 0.00 O ATOM 121 CB ASN A 8 -4.960 4.076 -7.212 1.00 0.00 C ATOM 122 CG ASN A 8 -4.916 3.304 -8.527 1.00 0.00 C ATOM 123 OD1 ASN A 8 -4.151 3.642 -9.426 1.00 0.00 O ATOM 124 ND2 ASN A 8 -5.750 2.267 -8.637 1.00 0.00 N ATOM 0 H ASN A 8 -4.382 1.731 -6.650 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.904 4.142 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.920 3.897 -6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.905 5.144 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.770 1.717 -9.496 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.367 2.025 -7.862 1.00 0.00 H new ATOM 131 N ILE A 9 -3.532 5.299 -4.408 1.00 0.00 N ATOM 132 CA ILE A 9 -3.759 5.934 -3.119 1.00 0.00 C ATOM 133 C ILE A 9 -3.902 7.429 -3.386 1.00 0.00 C ATOM 134 O ILE A 9 -2.918 8.166 -3.351 1.00 0.00 O ATOM 135 CB ILE A 9 -2.609 5.630 -2.137 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.362 4.117 -2.009 1.00 0.00 C ATOM 137 CG2 ILE A 9 -2.935 6.234 -0.761 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.234 3.783 -1.030 1.00 0.00 C ATOM 0 H ILE A 9 -2.805 5.759 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.661 5.547 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.697 6.081 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.280 3.630 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.119 3.708 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.122 6.019 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.055 7.313 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.860 5.799 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.104 2.702 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.307 4.244 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.486 4.164 -0.041 1.00 0.00 H new ATOM 150 N ASP A 10 -5.133 7.872 -3.655 1.00 0.00 N ATOM 151 CA ASP A 10 -5.434 9.277 -3.895 1.00 0.00 C ATOM 152 C ASP A 10 -6.012 9.898 -2.623 1.00 0.00 C ATOM 153 O ASP A 10 -6.405 9.193 -1.694 1.00 0.00 O ATOM 154 CB ASP A 10 -6.359 9.422 -5.110 1.00 0.00 C ATOM 155 CG ASP A 10 -5.703 8.864 -6.371 1.00 0.00 C ATOM 156 OD1 ASP A 10 -4.958 9.635 -7.014 1.00 0.00 O ATOM 157 OD2 ASP A 10 -5.954 7.676 -6.667 1.00 0.00 O ATOM 0 H ASP A 10 -5.948 7.261 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.522 9.823 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.296 8.898 -4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.606 10.473 -5.260 1.00 0.00 H new ATOM 162 N GLY A 11 -6.031 11.234 -2.579 1.00 0.00 N ATOM 163 CA GLY A 11 -6.428 11.994 -1.405 1.00 0.00 C ATOM 164 C GLY A 11 -5.285 12.153 -0.397 1.00 0.00 C ATOM 165 O GLY A 11 -5.542 12.509 0.751 1.00 0.00 O ATOM 0 H GLY A 11 -5.766 11.819 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.776 12.980 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.269 11.497 -0.921 1.00 0.00 H new ATOM 169 N MET A 12 -4.030 11.915 -0.812 1.00 0.00 N ATOM 170 CA MET A 12 -2.865 12.222 0.005 1.00 0.00 C ATOM 171 C MET A 12 -2.575 13.716 -0.112 1.00 0.00 C ATOM 172 O MET A 12 -2.421 14.235 -1.216 1.00 0.00 O ATOM 173 CB MET A 12 -1.646 11.398 -0.426 1.00 0.00 C ATOM 174 CG MET A 12 -1.815 9.911 -0.100 1.00 0.00 C ATOM 175 SD MET A 12 -0.268 8.965 -0.041 1.00 0.00 S ATOM 176 CE MET A 12 0.102 8.820 -1.802 1.00 0.00 C ATOM 0 H MET A 12 -3.805 11.507 -1.719 1.00 0.00 H new ATOM 0 HA MET A 12 -3.074 11.962 1.043 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.487 11.519 -1.498 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.755 11.780 0.073 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.318 9.819 0.863 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.471 9.462 -0.846 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.175 8.931 -1.959 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.218 7.842 -2.162 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.427 9.599 -2.350 1.00 0.00 H new ATOM 186 N THR A 13 -2.513 14.400 1.034 1.00 0.00 N ATOM 187 CA THR A 13 -2.346 15.842 1.106 1.00 0.00 C ATOM 188 C THR A 13 -0.868 16.226 1.019 1.00 0.00 C ATOM 189 O THR A 13 -0.535 17.206 0.354 1.00 0.00 O ATOM 190 CB THR A 13 -2.979 16.380 2.399 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.425 15.745 3.533 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.499 16.178 2.401 1.00 0.00 C ATOM 0 H THR A 13 -2.579 13.954 1.949 1.00 0.00 H new ATOM 0 HA THR A 13 -2.855 16.295 0.255 1.00 0.00 H new ATOM 0 HB THR A 13 -2.764 17.448 2.442 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.917 16.569 3.329 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.937 16.707 1.555 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.725 15.115 2.321 1.00 0.00 H new ATOM 200 N CYS A 14 0.014 15.472 1.689 1.00 0.00 N ATOM 201 CA CYS A 14 1.433 15.809 1.773 1.00 0.00 C ATOM 202 C CYS A 14 2.266 14.568 2.120 1.00 0.00 C ATOM 203 O CYS A 14 1.732 13.469 2.265 1.00 0.00 O ATOM 204 CB CYS A 14 1.637 16.935 2.802 1.00 0.00 C ATOM 205 SG CYS A 14 1.435 16.355 4.499 1.00 0.00 S ATOM 0 H CYS A 14 -0.239 14.617 2.184 1.00 0.00 H new ATOM 0 HA CYS A 14 1.776 16.166 0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.634 17.359 2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.924 17.736 2.607 1.00 0.00 H new ATOM 210 N ASN A 15 3.584 14.764 2.257 1.00 0.00 N ATOM 211 CA ASN A 15 4.572 13.729 2.546 1.00 0.00 C ATOM 212 C ASN A 15 4.293 12.957 3.840 1.00 0.00 C ATOM 213 O ASN A 15 4.680 11.796 3.950 1.00 0.00 O ATOM 214 CB ASN A 15 5.980 14.343 2.578 1.00 0.00 C ATOM 215 CG ASN A 15 6.189 15.311 3.746 1.00 0.00 C ATOM 216 OD1 ASN A 15 5.330 16.138 4.040 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.338 15.214 4.418 1.00 0.00 N ATOM 0 H ASN A 15 4.003 15.689 2.165 1.00 0.00 H new ATOM 0 HA ASN A 15 4.502 12.998 1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.717 13.543 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.161 14.870 1.641 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.524 15.838 5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.030 14.515 4.147 1.00 0.00 H new ATOM 224 N SER A 16 3.634 13.580 4.823 1.00 0.00 N ATOM 225 CA SER A 16 3.226 12.918 6.056 1.00 0.00 C ATOM 226 C SER A 16 2.390 11.670 5.762 1.00 0.00 C ATOM 227 O SER A 16 2.580 10.641 6.408 1.00 0.00 O ATOM 228 CB SER A 16 2.452 13.896 6.944 1.00 0.00 C ATOM 229 OG SER A 16 3.217 15.063 7.158 1.00 0.00 O ATOM 0 H SER A 16 3.369 14.564 4.780 1.00 0.00 H new ATOM 0 HA SER A 16 4.122 12.596 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.503 14.154 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.217 13.425 7.899 1.00 0.00 H new ATOM 0 HG SER A 16 2.961 15.747 6.504 1.00 0.00 H new ATOM 235 N CYS A 17 1.479 11.755 4.783 1.00 0.00 N ATOM 236 CA CYS A 17 0.653 10.628 4.372 1.00 0.00 C ATOM 237 C CYS A 17 1.534 9.505 3.828 1.00 0.00 C ATOM 238 O CYS A 17 1.416 8.368 4.273 1.00 0.00 O ATOM 239 CB CYS A 17 -0.375 11.057 3.324 1.00 0.00 C ATOM 240 SG CYS A 17 -1.486 12.390 3.828 1.00 0.00 S ATOM 0 H CYS A 17 1.299 12.611 4.258 1.00 0.00 H new ATOM 0 HA CYS A 17 0.111 10.262 5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.156 11.370 2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.976 10.189 3.053 1.00 0.00 H new ATOM 245 N VAL A 18 2.423 9.832 2.880 1.00 0.00 N ATOM 246 CA VAL A 18 3.349 8.884 2.269 1.00 0.00 C ATOM 247 C VAL A 18 4.094 8.102 3.353 1.00 0.00 C ATOM 248 O VAL A 18 4.049 6.874 3.376 1.00 0.00 O ATOM 249 CB VAL A 18 4.326 9.624 1.334 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.365 8.676 0.724 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.577 10.313 0.189 1.00 0.00 C ATOM 0 H VAL A 18 2.516 10.780 2.514 1.00 0.00 H new ATOM 0 HA VAL A 18 2.787 8.169 1.668 1.00 0.00 H new ATOM 0 HB VAL A 18 4.835 10.366 1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.033 9.239 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.944 8.209 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.858 7.905 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.290 10.827 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.035 9.567 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.871 11.036 0.599 1.00 0.00 H new ATOM 261 N GLN A 19 4.768 8.831 4.249 1.00 0.00 N ATOM 262 CA GLN A 19 5.582 8.274 5.319 1.00 0.00 C ATOM 263 C GLN A 19 4.752 7.391 6.253 1.00 0.00 C ATOM 264 O GLN A 19 5.147 6.260 6.530 1.00 0.00 O ATOM 265 CB GLN A 19 6.248 9.418 6.092 1.00 0.00 C ATOM 266 CG GLN A 19 7.316 10.113 5.237 1.00 0.00 C ATOM 267 CD GLN A 19 7.791 11.408 5.888 1.00 0.00 C ATOM 268 OE1 GLN A 19 8.904 11.485 6.400 1.00 0.00 O ATOM 269 NE2 GLN A 19 6.939 12.434 5.863 1.00 0.00 N ATOM 0 H GLN A 19 4.758 9.851 4.244 1.00 0.00 H new ATOM 0 HA GLN A 19 6.351 7.638 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.493 10.143 6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.703 9.029 7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.164 9.443 5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.910 10.328 4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.023 12.326 5.427 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.203 13.327 6.280 1.00 0.00 H new ATOM 278 N SER A 20 3.614 7.901 6.742 1.00 0.00 N ATOM 279 CA SER A 20 2.769 7.186 7.690 1.00 0.00 C ATOM 280 C SER A 20 2.251 5.873 7.099 1.00 0.00 C ATOM 281 O SER A 20 2.380 4.830 7.735 1.00 0.00 O ATOM 282 CB SER A 20 1.627 8.082 8.182 1.00 0.00 C ATOM 283 OG SER A 20 0.812 8.508 7.112 1.00 0.00 O ATOM 0 H SER A 20 3.258 8.822 6.487 1.00 0.00 H new ATOM 0 HA SER A 20 3.378 6.924 8.555 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.023 7.538 8.908 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.039 8.950 8.696 1.00 0.00 H new ATOM 0 HG SER A 20 1.254 9.242 6.636 1.00 0.00 H new ATOM 289 N ILE A 21 1.677 5.919 5.890 1.00 0.00 N ATOM 290 CA ILE A 21 1.167 4.740 5.199 1.00 0.00 C ATOM 291 C ILE A 21 2.294 3.724 5.026 1.00 0.00 C ATOM 292 O ILE A 21 2.133 2.568 5.405 1.00 0.00 O ATOM 293 CB ILE A 21 0.543 5.124 3.846 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.674 6.049 4.037 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.103 3.868 3.077 1.00 0.00 C ATOM 296 CD1 ILE A 21 -1.041 6.734 2.718 1.00 0.00 C ATOM 0 H ILE A 21 1.555 6.785 5.364 1.00 0.00 H new ATOM 0 HA ILE A 21 0.378 4.286 5.799 1.00 0.00 H new ATOM 0 HB ILE A 21 1.305 5.654 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.523 5.471 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.451 6.801 4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.336 4.161 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.968 3.229 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.636 3.322 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.903 7.383 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.197 7.329 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.285 5.978 1.971 1.00 0.00 H new ATOM 308 N GLU A 22 3.428 4.152 4.459 1.00 0.00 N ATOM 309 CA GLU A 22 4.572 3.288 4.210 1.00 0.00 C ATOM 310 C GLU A 22 5.004 2.577 5.498 1.00 0.00 C ATOM 311 O GLU A 22 5.160 1.358 5.507 1.00 0.00 O ATOM 312 CB GLU A 22 5.699 4.119 3.581 1.00 0.00 C ATOM 313 CG GLU A 22 6.794 3.245 2.967 1.00 0.00 C ATOM 314 CD GLU A 22 7.785 4.096 2.179 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.467 4.397 1.007 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.838 4.435 2.761 1.00 0.00 O ATOM 0 H GLU A 22 3.572 5.117 4.160 1.00 0.00 H new ATOM 0 HA GLU A 22 4.303 2.501 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.282 4.768 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.137 4.766 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.318 2.703 3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.346 2.499 2.311 1.00 0.00 H new ATOM 323 N GLY A 23 5.169 3.340 6.585 1.00 0.00 N ATOM 324 CA GLY A 23 5.547 2.831 7.894 1.00 0.00 C ATOM 325 C GLY A 23 4.559 1.789 8.419 1.00 0.00 C ATOM 326 O GLY A 23 4.961 0.680 8.762 1.00 0.00 O ATOM 0 H GLY A 23 5.039 4.352 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.541 2.389 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.607 3.659 8.600 1.00 0.00 H new ATOM 330 N VAL A 24 3.270 2.138 8.487 1.00 0.00 N ATOM 331 CA VAL A 24 2.228 1.263 9.013 1.00 0.00 C ATOM 332 C VAL A 24 2.144 -0.028 8.194 1.00 0.00 C ATOM 333 O VAL A 24 2.242 -1.120 8.751 1.00 0.00 O ATOM 334 CB VAL A 24 0.887 2.021 9.056 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.296 1.088 9.347 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.926 3.100 10.148 1.00 0.00 C ATOM 0 H VAL A 24 2.922 3.045 8.175 1.00 0.00 H new ATOM 0 HA VAL A 24 2.476 0.971 10.033 1.00 0.00 H new ATOM 0 HB VAL A 24 0.746 2.469 8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.219 1.667 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.361 0.329 8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.149 0.605 10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.026 3.630 10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.103 2.632 11.116 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.729 3.806 9.934 1.00 0.00 H new ATOM 346 N ILE A 25 1.957 0.098 6.876 1.00 0.00 N ATOM 347 CA ILE A 25 1.729 -1.029 5.985 1.00 0.00 C ATOM 348 C ILE A 25 2.949 -1.958 5.931 1.00 0.00 C ATOM 349 O ILE A 25 2.769 -3.174 5.910 1.00 0.00 O ATOM 350 CB ILE A 25 1.273 -0.536 4.598 1.00 0.00 C ATOM 351 CG1 ILE A 25 -0.031 0.290 4.653 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.102 -1.711 3.624 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.283 -0.490 5.072 1.00 0.00 C ATOM 0 H ILE A 25 1.961 0.999 6.399 1.00 0.00 H new ATOM 0 HA ILE A 25 0.916 -1.635 6.385 1.00 0.00 H new ATOM 0 HB ILE A 25 2.063 0.123 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.111 1.117 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.207 0.727 3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.780 -1.335 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.052 -2.233 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.352 -2.400 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.143 0.179 5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.460 -1.301 4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.137 -0.904 6.070 1.00 0.00 H new ATOM 365 N SER A 26 4.178 -1.418 5.931 1.00 0.00 N ATOM 366 CA SER A 26 5.395 -2.231 5.924 1.00 0.00 C ATOM 367 C SER A 26 5.439 -3.240 7.078 1.00 0.00 C ATOM 368 O SER A 26 6.024 -4.311 6.930 1.00 0.00 O ATOM 369 CB SER A 26 6.653 -1.353 5.930 1.00 0.00 C ATOM 370 OG SER A 26 6.764 -0.610 7.123 1.00 0.00 O ATOM 0 H SER A 26 4.351 -0.413 5.936 1.00 0.00 H new ATOM 0 HA SER A 26 5.374 -2.803 4.997 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.536 -1.981 5.809 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.626 -0.673 5.079 1.00 0.00 H new ATOM 0 HG SER A 26 5.882 -0.267 7.378 1.00 0.00 H new ATOM 376 N LYS A 27 4.823 -2.902 8.219 1.00 0.00 N ATOM 377 CA LYS A 27 4.858 -3.707 9.433 1.00 0.00 C ATOM 378 C LYS A 27 3.715 -4.729 9.486 1.00 0.00 C ATOM 379 O LYS A 27 3.667 -5.522 10.425 1.00 0.00 O ATOM 380 CB LYS A 27 4.813 -2.770 10.649 1.00 0.00 C ATOM 381 CG LYS A 27 6.056 -1.872 10.708 1.00 0.00 C ATOM 382 CD LYS A 27 5.882 -0.790 11.780 1.00 0.00 C ATOM 383 CE LYS A 27 7.109 0.124 11.870 1.00 0.00 C ATOM 384 NZ LYS A 27 7.341 0.869 10.620 1.00 0.00 N ATOM 0 H LYS A 27 4.279 -2.045 8.319 1.00 0.00 H new ATOM 0 HA LYS A 27 5.784 -4.283 9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.917 -2.151 10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.744 -3.360 11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.937 -2.474 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.223 -1.407 9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.999 -0.192 11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.708 -1.261 12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.976 0.828 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.990 -0.475 12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.499 1.873 10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.177 0.484 10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.510 0.776 10.001 1.00 0.00 H new ATOM 398 N LYS A 28 2.803 -4.738 8.501 1.00 0.00 N ATOM 399 CA LYS A 28 1.718 -5.711 8.444 1.00 0.00 C ATOM 400 C LYS A 28 2.292 -7.077 8.042 1.00 0.00 C ATOM 401 O LYS A 28 2.954 -7.153 7.006 1.00 0.00 O ATOM 402 CB LYS A 28 0.655 -5.268 7.428 1.00 0.00 C ATOM 403 CG LYS A 28 -0.001 -3.927 7.779 1.00 0.00 C ATOM 404 CD LYS A 28 -0.962 -4.021 8.969 1.00 0.00 C ATOM 405 CE LYS A 28 -1.599 -2.652 9.220 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.541 -2.697 10.351 1.00 0.00 N ATOM 0 H LYS A 28 2.803 -4.072 7.729 1.00 0.00 H new ATOM 0 HA LYS A 28 1.246 -5.784 9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.114 -5.192 6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.116 -6.035 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.776 -3.197 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.544 -3.556 6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.735 -4.762 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.426 -4.353 9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.819 -1.918 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.122 -2.322 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.956 -1.754 10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.298 -3.380 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.036 -2.989 11.212 1.00 0.00 H new ATOM 420 N PRO A 29 2.057 -8.150 8.823 1.00 0.00 N ATOM 421 CA PRO A 29 2.492 -9.502 8.494 1.00 0.00 C ATOM 422 C PRO A 29 2.132 -9.890 7.058 1.00 0.00 C ATOM 423 O PRO A 29 0.955 -9.923 6.703 1.00 0.00 O ATOM 424 CB PRO A 29 1.810 -10.420 9.513 1.00 0.00 C ATOM 425 CG PRO A 29 1.669 -9.515 10.734 1.00 0.00 C ATOM 426 CD PRO A 29 1.377 -8.150 10.110 1.00 0.00 C ATOM 0 HA PRO A 29 3.578 -9.585 8.547 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.842 -10.773 9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.412 -11.303 9.730 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.861 -9.842 11.389 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.579 -9.500 11.334 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.305 -7.998 9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.742 -7.343 10.745 1.00 0.00 H new ATOM 434 N GLY A 30 3.155 -10.168 6.241 1.00 0.00 N ATOM 435 CA GLY A 30 3.005 -10.508 4.837 1.00 0.00 C ATOM 436 C GLY A 30 3.700 -9.499 3.932 1.00 0.00 C ATOM 437 O GLY A 30 4.258 -9.895 2.911 1.00 0.00 O ATOM 0 H GLY A 30 4.126 -10.160 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.417 -11.501 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.945 -10.552 4.585 1.00 0.00 H new ATOM 441 N VAL A 31 3.672 -8.210 4.294 1.00 0.00 N ATOM 442 CA VAL A 31 4.319 -7.166 3.513 1.00 0.00 C ATOM 443 C VAL A 31 5.835 -7.273 3.678 1.00 0.00 C ATOM 444 O VAL A 31 6.338 -7.357 4.797 1.00 0.00 O ATOM 445 CB VAL A 31 3.804 -5.774 3.916 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.481 -4.686 3.070 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.291 -5.693 3.691 1.00 0.00 C ATOM 0 H VAL A 31 3.201 -7.870 5.133 1.00 0.00 H new ATOM 0 HA VAL A 31 4.072 -7.303 2.460 1.00 0.00 H new ATOM 0 HB VAL A 31 4.037 -5.616 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.105 -3.707 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.559 -4.723 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.260 -4.854 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.933 -4.704 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.070 -5.867 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.792 -6.450 4.296 1.00 0.00 H new ATOM 457 N LYS A 32 6.547 -7.262 2.547 1.00 0.00 N ATOM 458 CA LYS A 32 7.995 -7.233 2.475 1.00 0.00 C ATOM 459 C LYS A 32 8.407 -5.757 2.448 1.00 0.00 C ATOM 460 O LYS A 32 8.342 -5.083 3.475 1.00 0.00 O ATOM 461 CB LYS A 32 8.442 -8.004 1.221 1.00 0.00 C ATOM 462 CG LYS A 32 8.116 -9.502 1.280 1.00 0.00 C ATOM 463 CD LYS A 32 8.151 -10.128 -0.121 1.00 0.00 C ATOM 464 CE LYS A 32 9.482 -9.881 -0.840 1.00 0.00 C ATOM 465 NZ LYS A 32 9.517 -10.547 -2.151 1.00 0.00 N ATOM 0 H LYS A 32 6.106 -7.274 1.627 1.00 0.00 H new ATOM 0 HA LYS A 32 8.473 -7.714 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.961 -7.569 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.517 -7.878 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.833 -10.009 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.130 -9.646 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.979 -11.201 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.337 -9.718 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.633 -8.809 -0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.303 -10.246 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.162 -10.033 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.852 -11.525 -2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.562 -10.555 -2.562 1.00 0.00 H new ATOM 479 N SER A 33 8.813 -5.252 1.278 1.00 0.00 N ATOM 480 CA SER A 33 9.066 -3.844 1.019 1.00 0.00 C ATOM 481 C SER A 33 7.788 -3.171 0.510 1.00 0.00 C ATOM 482 O SER A 33 6.883 -3.834 0.002 1.00 0.00 O ATOM 483 CB SER A 33 10.196 -3.727 -0.008 1.00 0.00 C ATOM 484 OG SER A 33 9.873 -4.479 -1.158 1.00 0.00 O ATOM 0 H SER A 33 8.978 -5.840 0.461 1.00 0.00 H new ATOM 0 HA SER A 33 9.367 -3.340 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.350 -2.682 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.131 -4.086 0.423 1.00 0.00 H new ATOM 0 HG SER A 33 10.292 -4.070 -1.944 1.00 0.00 H new ATOM 490 N ILE A 34 7.729 -1.842 0.640 1.00 0.00 N ATOM 491 CA ILE A 34 6.662 -1.019 0.091 1.00 0.00 C ATOM 492 C ILE A 34 7.214 0.368 -0.238 1.00 0.00 C ATOM 493 O ILE A 34 7.921 0.960 0.577 1.00 0.00 O ATOM 494 CB ILE A 34 5.443 -0.975 1.034 1.00 0.00 C ATOM 495 CG1 ILE A 34 4.419 0.043 0.498 1.00 0.00 C ATOM 496 CG2 ILE A 34 5.827 -0.689 2.492 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.090 0.024 1.253 1.00 0.00 C ATOM 0 H ILE A 34 8.437 -1.304 1.140 1.00 0.00 H new ATOM 0 HA ILE A 34 6.298 -1.463 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 34 4.988 -1.965 1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.848 1.043 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.232 -0.162 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.928 -0.670 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.497 -1.470 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.329 0.276 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.417 0.765 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.640 -0.965 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.265 0.259 2.303 1.00 0.00 H new ATOM 509 N ARG A 35 6.876 0.873 -1.432 1.00 0.00 N ATOM 510 CA ARG A 35 7.228 2.205 -1.902 1.00 0.00 C ATOM 511 C ARG A 35 5.945 2.999 -2.153 1.00 0.00 C ATOM 512 O ARG A 35 5.248 2.744 -3.134 1.00 0.00 O ATOM 513 CB ARG A 35 8.063 2.114 -3.190 1.00 0.00 C ATOM 514 CG ARG A 35 9.411 1.392 -3.033 1.00 0.00 C ATOM 515 CD ARG A 35 10.279 1.930 -1.889 1.00 0.00 C ATOM 516 NE ARG A 35 10.332 3.399 -1.886 1.00 0.00 N ATOM 517 CZ ARG A 35 10.409 4.174 -0.790 1.00 0.00 C ATOM 518 NH1 ARG A 35 10.572 3.640 0.429 1.00 0.00 N ATOM 519 NH2 ARG A 35 10.317 5.504 -0.916 1.00 0.00 N ATOM 0 H ARG A 35 6.333 0.343 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 35 7.827 2.712 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.477 1.599 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.248 3.123 -3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.226 0.331 -2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.967 1.475 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.882 1.579 -0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.289 1.530 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 35 10.308 3.870 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.640 2.628 0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.628 4.246 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.190 5.921 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.374 6.100 -0.090 1.00 0.00 H new ATOM 533 N VAL A 36 5.643 3.960 -1.271 1.00 0.00 N ATOM 534 CA VAL A 36 4.524 4.885 -1.420 1.00 0.00 C ATOM 535 C VAL A 36 5.044 6.174 -2.064 1.00 0.00 C ATOM 536 O VAL A 36 6.181 6.572 -1.810 1.00 0.00 O ATOM 537 CB VAL A 36 3.848 5.131 -0.056 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.569 5.966 -0.208 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.467 3.807 0.617 1.00 0.00 C ATOM 0 H VAL A 36 6.183 4.115 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 36 3.757 4.463 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 36 4.571 5.670 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.117 6.121 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.815 6.931 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.865 5.440 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.992 4.010 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.774 3.260 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.364 3.208 0.775 1.00 0.00 H new ATOM 549 N SER A 37 4.223 6.817 -2.907 1.00 0.00 N ATOM 550 CA SER A 37 4.600 8.019 -3.642 1.00 0.00 C ATOM 551 C SER A 37 3.404 8.961 -3.775 1.00 0.00 C ATOM 552 O SER A 37 2.344 8.545 -4.236 1.00 0.00 O ATOM 553 CB SER A 37 5.125 7.620 -5.026 1.00 0.00 C ATOM 554 OG SER A 37 5.379 8.767 -5.813 1.00 0.00 O ATOM 0 H SER A 37 3.269 6.508 -3.095 1.00 0.00 H new ATOM 0 HA SER A 37 5.384 8.544 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.039 7.036 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.396 6.983 -5.527 1.00 0.00 H new ATOM 0 HG SER A 37 6.332 8.805 -6.038 1.00 0.00 H new ATOM 560 N LEU A 38 3.596 10.231 -3.389 1.00 0.00 N ATOM 561 CA LEU A 38 2.632 11.309 -3.581 1.00 0.00 C ATOM 562 C LEU A 38 2.547 11.677 -5.062 1.00 0.00 C ATOM 563 O LEU A 38 1.449 11.816 -5.598 1.00 0.00 O ATOM 564 CB LEU A 38 3.041 12.521 -2.729 1.00 0.00 C ATOM 565 CG LEU A 38 2.128 13.751 -2.879 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.692 13.458 -2.429 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.692 14.893 -2.026 1.00 0.00 C ATOM 0 H LEU A 38 4.450 10.538 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 38 1.644 10.980 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.056 12.222 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.059 12.807 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 38 2.101 14.024 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.082 14.353 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.278 12.651 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.693 13.161 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.053 15.771 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.726 14.584 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.699 15.137 -2.365 1.00 0.00 H new ATOM 579 N ALA A 39 3.708 11.828 -5.714 1.00 0.00 N ATOM 580 CA ALA A 39 3.821 12.189 -7.122 1.00 0.00 C ATOM 581 C ALA A 39 2.983 11.266 -8.008 1.00 0.00 C ATOM 582 O ALA A 39 2.267 11.740 -8.888 1.00 0.00 O ATOM 583 CB ALA A 39 5.294 12.154 -7.540 1.00 0.00 C ATOM 0 H ALA A 39 4.612 11.698 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 39 3.432 13.199 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.380 12.424 -8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.860 12.863 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.691 11.150 -7.389 1.00 0.00 H new ATOM 589 N ASN A 40 3.064 9.954 -7.760 1.00 0.00 N ATOM 590 CA ASN A 40 2.300 8.948 -8.487 1.00 0.00 C ATOM 591 C ASN A 40 0.944 8.682 -7.821 1.00 0.00 C ATOM 592 O ASN A 40 0.064 8.110 -8.461 1.00 0.00 O ATOM 593 CB ASN A 40 3.114 7.653 -8.578 1.00 0.00 C ATOM 594 CG ASN A 40 4.400 7.835 -9.380 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.411 7.634 -10.592 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.491 8.211 -8.710 1.00 0.00 N ATOM 0 H ASN A 40 3.670 9.562 -7.040 1.00 0.00 H new ATOM 0 HA ASN A 40 2.103 9.325 -9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.360 7.309 -7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.506 6.876 -9.041 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.374 8.341 -9.204 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.442 8.368 -7.703 1.00 0.00 H new ATOM 603 N SER A 41 0.772 9.086 -6.552 1.00 0.00 N ATOM 604 CA SER A 41 -0.429 8.868 -5.755 1.00 0.00 C ATOM 605 C SER A 41 -0.773 7.379 -5.719 1.00 0.00 C ATOM 606 O SER A 41 -1.862 6.974 -6.123 1.00 0.00 O ATOM 607 CB SER A 41 -1.585 9.744 -6.258 1.00 0.00 C ATOM 608 OG SER A 41 -1.271 11.109 -6.073 1.00 0.00 O ATOM 0 H SER A 41 1.496 9.591 -6.042 1.00 0.00 H new ATOM 0 HA SER A 41 -0.242 9.175 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.771 9.545 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.501 9.497 -5.721 1.00 0.00 H new ATOM 0 HG SER A 41 -0.311 11.204 -5.903 1.00 0.00 H new ATOM 614 N ASN A 42 0.177 6.565 -5.241 1.00 0.00 N ATOM 615 CA ASN A 42 0.049 5.115 -5.218 1.00 0.00 C ATOM 616 C ASN A 42 0.940 4.488 -4.147 1.00 0.00 C ATOM 617 O ASN A 42 1.751 5.169 -3.519 1.00 0.00 O ATOM 618 CB ASN A 42 0.328 4.526 -6.614 1.00 0.00 C ATOM 619 CG ASN A 42 1.800 4.567 -7.034 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.635 5.198 -6.391 1.00 0.00 O ATOM 621 ND2 ASN A 42 2.125 3.879 -8.129 1.00 0.00 N ATOM 0 H ASN A 42 1.060 6.904 -4.858 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.979 4.870 -4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.014 3.491 -6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.263 5.071 -7.350 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.091 3.866 -8.455 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.407 3.365 -8.640 1.00 0.00 H new ATOM 628 N GLY A 43 0.770 3.173 -3.970 1.00 0.00 N ATOM 629 CA GLY A 43 1.558 2.311 -3.112 1.00 0.00 C ATOM 630 C GLY A 43 1.926 1.060 -3.900 1.00 0.00 C ATOM 631 O GLY A 43 1.043 0.294 -4.285 1.00 0.00 O ATOM 0 H GLY A 43 0.033 2.662 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.458 2.828 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.993 2.045 -2.219 1.00 0.00 H new ATOM 635 N THR A 44 3.229 0.862 -4.131 1.00 0.00 N ATOM 636 CA THR A 44 3.786 -0.291 -4.821 1.00 0.00 C ATOM 637 C THR A 44 4.289 -1.243 -3.740 1.00 0.00 C ATOM 638 O THR A 44 5.339 -1.002 -3.146 1.00 0.00 O ATOM 639 CB THR A 44 4.910 0.175 -5.760 1.00 0.00 C ATOM 640 OG1 THR A 44 4.372 1.058 -6.724 1.00 0.00 O ATOM 641 CG2 THR A 44 5.570 -1.003 -6.485 1.00 0.00 C ATOM 0 H THR A 44 3.942 1.526 -3.830 1.00 0.00 H new ATOM 0 HA THR A 44 3.050 -0.803 -5.441 1.00 0.00 H new ATOM 0 HB THR A 44 5.668 0.672 -5.155 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.085 1.360 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.359 -0.632 -7.139 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.998 -1.687 -5.753 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.823 -1.529 -7.080 1.00 0.00 H new ATOM 649 N VAL A 45 3.516 -2.303 -3.475 1.00 0.00 N ATOM 650 CA VAL A 45 3.710 -3.201 -2.347 1.00 0.00 C ATOM 651 C VAL A 45 4.230 -4.553 -2.836 1.00 0.00 C ATOM 652 O VAL A 45 3.666 -5.129 -3.765 1.00 0.00 O ATOM 653 CB VAL A 45 2.380 -3.393 -1.589 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.651 -3.993 -0.204 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.586 -2.088 -1.438 1.00 0.00 C ATOM 0 H VAL A 45 2.720 -2.560 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 45 4.444 -2.763 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 45 1.771 -4.074 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.708 -4.126 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.144 -4.959 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.295 -3.321 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.661 -2.286 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.182 -1.362 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.351 -1.689 -2.425 1.00 0.00 H new ATOM 665 N GLU A 46 5.290 -5.059 -2.194 1.00 0.00 N ATOM 666 CA GLU A 46 5.771 -6.423 -2.365 1.00 0.00 C ATOM 667 C GLU A 46 5.264 -7.206 -1.156 1.00 0.00 C ATOM 668 O GLU A 46 5.401 -6.729 -0.032 1.00 0.00 O ATOM 669 CB GLU A 46 7.299 -6.445 -2.473 1.00 0.00 C ATOM 670 CG GLU A 46 7.775 -5.540 -3.618 1.00 0.00 C ATOM 671 CD GLU A 46 9.197 -5.871 -4.062 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.405 -7.028 -4.491 1.00 0.00 O ATOM 673 OE2 GLU A 46 10.054 -4.965 -3.973 1.00 0.00 O ATOM 0 H GLU A 46 5.843 -4.517 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 46 5.403 -6.873 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.740 -6.113 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.642 -7.466 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.098 -5.644 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.729 -4.499 -3.299 1.00 0.00 H new ATOM 680 N TYR A 47 4.644 -8.373 -1.375 1.00 0.00 N ATOM 681 CA TYR A 47 3.924 -9.083 -0.325 1.00 0.00 C ATOM 682 C TYR A 47 3.914 -10.601 -0.526 1.00 0.00 C ATOM 683 O TYR A 47 4.369 -11.107 -1.552 1.00 0.00 O ATOM 684 CB TYR A 47 2.489 -8.539 -0.250 1.00 0.00 C ATOM 685 CG TYR A 47 1.594 -9.015 -1.381 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.774 -8.518 -2.686 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.594 -9.973 -1.135 1.00 0.00 C ATOM 688 CE1 TYR A 47 1.005 -9.027 -3.745 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.190 -10.462 -2.193 1.00 0.00 C ATOM 690 CZ TYR A 47 0.024 -10.000 -3.501 1.00 0.00 C ATOM 691 OH TYR A 47 -0.721 -10.495 -4.530 1.00 0.00 O ATOM 0 H TYR A 47 4.631 -8.844 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 47 4.447 -8.907 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.047 -8.836 0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.522 -7.450 -0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.504 -7.745 -2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.429 -10.333 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.169 -8.668 -4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.959 -11.195 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.353 -11.161 -4.186 1.00 0.00 H new ATOM 701 N ASP A 48 3.359 -11.307 0.469 1.00 0.00 N ATOM 702 CA ASP A 48 3.119 -12.743 0.462 1.00 0.00 C ATOM 703 C ASP A 48 1.604 -13.008 0.520 1.00 0.00 C ATOM 704 O ASP A 48 1.004 -12.771 1.568 1.00 0.00 O ATOM 705 CB ASP A 48 3.830 -13.370 1.670 1.00 0.00 C ATOM 706 CG ASP A 48 3.621 -14.882 1.786 1.00 0.00 C ATOM 707 OD1 ASP A 48 3.118 -15.487 0.814 1.00 0.00 O ATOM 708 OD2 ASP A 48 3.974 -15.413 2.861 1.00 0.00 O ATOM 0 H ASP A 48 3.054 -10.866 1.336 1.00 0.00 H new ATOM 0 HA ASP A 48 3.512 -13.190 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.898 -13.163 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.472 -12.891 2.581 1.00 0.00 H new ATOM 713 N PRO A 49 0.988 -13.512 -0.569 1.00 0.00 N ATOM 714 CA PRO A 49 -0.399 -13.966 -0.638 1.00 0.00 C ATOM 715 C PRO A 49 -0.882 -14.770 0.571 1.00 0.00 C ATOM 716 O PRO A 49 -2.026 -14.614 0.994 1.00 0.00 O ATOM 717 CB PRO A 49 -0.494 -14.799 -1.916 1.00 0.00 C ATOM 718 CG PRO A 49 0.493 -14.086 -2.832 1.00 0.00 C ATOM 719 CD PRO A 49 1.615 -13.696 -1.868 1.00 0.00 C ATOM 0 HA PRO A 49 -1.054 -13.095 -0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.216 -15.839 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.503 -14.802 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.851 -14.738 -3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.047 -13.214 -3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.379 -14.472 -1.825 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.109 -12.781 -2.195 1.00 0.00 H new ATOM 727 N LEU A 50 -0.018 -15.635 1.116 1.00 0.00 N ATOM 728 CA LEU A 50 -0.355 -16.513 2.229 1.00 0.00 C ATOM 729 C LEU A 50 -0.723 -15.728 3.495 1.00 0.00 C ATOM 730 O LEU A 50 -1.521 -16.213 4.295 1.00 0.00 O ATOM 731 CB LEU A 50 0.819 -17.460 2.522 1.00 0.00 C ATOM 732 CG LEU A 50 1.281 -18.304 1.320 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.502 -19.131 1.738 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.178 -19.242 0.816 1.00 0.00 C ATOM 0 H LEU A 50 0.942 -15.742 0.789 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.232 -17.091 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.663 -16.870 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.533 -18.132 3.331 1.00 0.00 H new ATOM 0 HG LEU A 50 1.532 -17.625 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.839 -19.734 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.304 -18.463 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.232 -19.785 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.549 -19.817 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.115 -19.922 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.686 -18.654 0.506 1.00 0.00 H new ATOM 746 N LEU A 51 -0.136 -14.538 3.682 1.00 0.00 N ATOM 747 CA LEU A 51 -0.237 -13.752 4.906 1.00 0.00 C ATOM 748 C LEU A 51 -1.091 -12.493 4.712 1.00 0.00 C ATOM 749 O LEU A 51 -1.819 -12.112 5.627 1.00 0.00 O ATOM 750 CB LEU A 51 1.176 -13.399 5.382 1.00 0.00 C ATOM 751 CG LEU A 51 2.023 -14.623 5.777 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.457 -14.173 6.076 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.460 -15.344 7.009 1.00 0.00 C ATOM 0 H LEU A 51 0.435 -14.090 2.965 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.742 -14.347 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.690 -12.853 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.104 -12.727 6.238 1.00 0.00 H new ATOM 0 HG LEU A 51 2.002 -15.321 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.059 -15.038 6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.884 -13.706 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.450 -13.455 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.091 -16.200 7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.442 -14.658 7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.447 -15.687 6.798 1.00 0.00 H new ATOM 765 N THR A 52 -1.014 -11.848 3.541 1.00 0.00 N ATOM 766 CA THR A 52 -1.828 -10.684 3.196 1.00 0.00 C ATOM 767 C THR A 52 -2.175 -10.733 1.707 1.00 0.00 C ATOM 768 O THR A 52 -1.653 -11.579 0.987 1.00 0.00 O ATOM 769 CB THR A 52 -1.096 -9.391 3.593 1.00 0.00 C ATOM 770 OG1 THR A 52 -1.988 -8.296 3.547 1.00 0.00 O ATOM 771 CG2 THR A 52 0.104 -9.098 2.687 1.00 0.00 C ATOM 0 H THR A 52 -0.374 -12.127 2.798 1.00 0.00 H new ATOM 0 HA THR A 52 -2.765 -10.698 3.753 1.00 0.00 H new ATOM 0 HB THR A 52 -0.724 -9.535 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.514 -7.477 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.586 -8.175 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.816 -9.921 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.236 -8.990 1.657 1.00 0.00 H new ATOM 779 N SER A 53 -3.060 -9.843 1.240 1.00 0.00 N ATOM 780 CA SER A 53 -3.544 -9.844 -0.136 1.00 0.00 C ATOM 781 C SER A 53 -3.904 -8.418 -0.581 1.00 0.00 C ATOM 782 O SER A 53 -4.095 -7.559 0.278 1.00 0.00 O ATOM 783 CB SER A 53 -4.731 -10.811 -0.237 1.00 0.00 C ATOM 784 OG SER A 53 -5.865 -10.277 0.412 1.00 0.00 O ATOM 0 H SER A 53 -3.459 -9.100 1.814 1.00 0.00 H new ATOM 0 HA SER A 53 -2.764 -10.189 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.962 -11.003 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.466 -11.768 0.212 1.00 0.00 H new ATOM 0 HG SER A 53 -6.482 -9.911 -0.256 1.00 0.00 H new ATOM 790 N PRO A 54 -4.003 -8.141 -1.896 1.00 0.00 N ATOM 791 CA PRO A 54 -4.290 -6.813 -2.430 1.00 0.00 C ATOM 792 C PRO A 54 -5.488 -6.123 -1.772 1.00 0.00 C ATOM 793 O PRO A 54 -5.381 -4.966 -1.374 1.00 0.00 O ATOM 794 CB PRO A 54 -4.493 -7.003 -3.935 1.00 0.00 C ATOM 795 CG PRO A 54 -3.591 -8.196 -4.238 1.00 0.00 C ATOM 796 CD PRO A 54 -3.773 -9.068 -2.996 1.00 0.00 C ATOM 0 HA PRO A 54 -3.461 -6.140 -2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.535 -7.208 -4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.200 -6.118 -4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.895 -8.715 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.552 -7.896 -4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.615 -9.750 -3.116 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.890 -9.680 -2.814 1.00 0.00 H new ATOM 804 N GLU A 55 -6.621 -6.826 -1.650 1.00 0.00 N ATOM 805 CA GLU A 55 -7.830 -6.293 -1.035 1.00 0.00 C ATOM 806 C GLU A 55 -7.652 -6.017 0.464 1.00 0.00 C ATOM 807 O GLU A 55 -8.264 -5.085 0.982 1.00 0.00 O ATOM 808 CB GLU A 55 -9.059 -7.174 -1.319 1.00 0.00 C ATOM 809 CG GLU A 55 -8.932 -8.649 -0.912 1.00 0.00 C ATOM 810 CD GLU A 55 -8.310 -9.495 -2.020 1.00 0.00 C ATOM 811 OE1 GLU A 55 -7.065 -9.597 -2.029 1.00 0.00 O ATOM 812 OE2 GLU A 55 -9.090 -10.023 -2.842 1.00 0.00 O ATOM 0 H GLU A 55 -6.719 -7.786 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.017 -5.328 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.917 -6.746 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.276 -7.128 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.323 -8.726 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.918 -9.043 -0.664 1.00 0.00 H new ATOM 819 N THR A 56 -6.822 -6.804 1.162 1.00 0.00 N ATOM 820 CA THR A 56 -6.534 -6.587 2.576 1.00 0.00 C ATOM 821 C THR A 56 -5.733 -5.294 2.742 1.00 0.00 C ATOM 822 O THR A 56 -6.066 -4.458 3.579 1.00 0.00 O ATOM 823 CB THR A 56 -5.780 -7.791 3.164 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.481 -8.988 2.898 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.612 -7.658 4.681 1.00 0.00 C ATOM 0 H THR A 56 -6.336 -7.605 0.759 1.00 0.00 H new ATOM 0 HA THR A 56 -7.471 -6.488 3.124 1.00 0.00 H new ATOM 0 HB THR A 56 -4.797 -7.816 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.212 -9.337 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.075 -8.525 5.065 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.048 -6.753 4.907 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.593 -7.601 5.152 1.00 0.00 H new ATOM 833 N LEU A 57 -4.680 -5.138 1.931 1.00 0.00 N ATOM 834 CA LEU A 57 -3.812 -3.968 1.926 1.00 0.00 C ATOM 835 C LEU A 57 -4.620 -2.713 1.590 1.00 0.00 C ATOM 836 O LEU A 57 -4.527 -1.710 2.294 1.00 0.00 O ATOM 837 CB LEU A 57 -2.673 -4.186 0.920 1.00 0.00 C ATOM 838 CG LEU A 57 -1.759 -5.367 1.292 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.924 -5.774 0.073 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.833 -5.016 2.460 1.00 0.00 C ATOM 0 H LEU A 57 -4.406 -5.842 1.246 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.378 -3.826 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.097 -4.360 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.075 -3.277 0.855 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.391 -6.198 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.277 -6.610 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.587 -6.071 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.313 -4.930 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.202 -5.874 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.205 -4.169 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.431 -4.756 3.333 1.00 0.00 H new ATOM 852 N ARG A 58 -5.429 -2.787 0.526 1.00 0.00 N ATOM 853 CA ARG A 58 -6.383 -1.757 0.139 1.00 0.00 C ATOM 854 C ARG A 58 -7.265 -1.378 1.331 1.00 0.00 C ATOM 855 O ARG A 58 -7.423 -0.196 1.624 1.00 0.00 O ATOM 856 CB ARG A 58 -7.222 -2.283 -1.032 1.00 0.00 C ATOM 857 CG ARG A 58 -8.259 -1.268 -1.525 1.00 0.00 C ATOM 858 CD ARG A 58 -9.080 -1.840 -2.683 1.00 0.00 C ATOM 859 NE ARG A 58 -9.821 -3.042 -2.280 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.557 -3.801 -3.107 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.663 -3.497 -4.408 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.194 -4.876 -2.625 1.00 0.00 N ATOM 0 H ARG A 58 -5.433 -3.590 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.857 -0.856 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.560 -2.548 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.732 -3.196 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.923 -0.993 -0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.756 -0.356 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.779 -1.085 -3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.418 -2.082 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.773 -3.321 -1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.181 -2.680 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.226 -4.083 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.118 -5.113 -1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.755 -5.458 -3.247 1.00 0.00 H new ATOM 876 N GLY A 59 -7.827 -2.382 2.016 1.00 0.00 N ATOM 877 CA GLY A 59 -8.653 -2.206 3.200 1.00 0.00 C ATOM 878 C GLY A 59 -7.931 -1.420 4.295 1.00 0.00 C ATOM 879 O GLY A 59 -8.505 -0.495 4.864 1.00 0.00 O ATOM 0 H GLY A 59 -7.712 -3.360 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.571 -1.686 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.943 -3.183 3.587 1.00 0.00 H new ATOM 883 N ALA A 60 -6.677 -1.782 4.590 1.00 0.00 N ATOM 884 CA ALA A 60 -5.868 -1.119 5.605 1.00 0.00 C ATOM 885 C ALA A 60 -5.638 0.355 5.255 1.00 0.00 C ATOM 886 O ALA A 60 -5.822 1.226 6.101 1.00 0.00 O ATOM 887 CB ALA A 60 -4.543 -1.865 5.782 1.00 0.00 C ATOM 0 H ALA A 60 -6.196 -2.551 4.123 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.407 -1.142 6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.943 -1.365 6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.742 -2.891 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.000 -1.872 4.837 1.00 0.00 H new ATOM 893 N ILE A 61 -5.246 0.638 4.008 1.00 0.00 N ATOM 894 CA ILE A 61 -5.024 1.998 3.527 1.00 0.00 C ATOM 895 C ILE A 61 -6.327 2.807 3.615 1.00 0.00 C ATOM 896 O ILE A 61 -6.319 3.959 4.046 1.00 0.00 O ATOM 897 CB ILE A 61 -4.460 1.957 2.094 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.086 1.259 2.051 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.318 3.383 1.543 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.764 0.712 0.656 1.00 0.00 C ATOM 0 H ILE A 61 -5.074 -0.078 3.302 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.289 2.499 4.157 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.158 1.389 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.311 1.964 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.071 0.443 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.919 3.343 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.295 3.867 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.640 3.953 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.787 0.229 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.524 -0.014 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.752 1.532 -0.062 1.00 0.00 H new ATOM 912 N GLU A 62 -7.450 2.200 3.213 1.00 0.00 N ATOM 913 CA GLU A 62 -8.768 2.814 3.286 1.00 0.00 C ATOM 914 C GLU A 62 -9.131 3.147 4.736 1.00 0.00 C ATOM 915 O GLU A 62 -9.680 4.215 4.996 1.00 0.00 O ATOM 916 CB GLU A 62 -9.803 1.888 2.635 1.00 0.00 C ATOM 917 CG GLU A 62 -11.153 2.585 2.448 1.00 0.00 C ATOM 918 CD GLU A 62 -12.115 1.695 1.668 1.00 0.00 C ATOM 919 OE1 GLU A 62 -12.828 0.909 2.330 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.117 1.811 0.423 1.00 0.00 O ATOM 0 H GLU A 62 -7.462 1.257 2.824 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.760 3.755 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.431 1.551 1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.935 1.000 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.581 2.827 3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.011 3.527 1.919 1.00 0.00 H new ATOM 927 N ASP A 63 -8.816 2.243 5.673 1.00 0.00 N ATOM 928 CA ASP A 63 -9.049 2.441 7.097 1.00 0.00 C ATOM 929 C ASP A 63 -8.257 3.641 7.626 1.00 0.00 C ATOM 930 O ASP A 63 -8.793 4.415 8.416 1.00 0.00 O ATOM 931 CB ASP A 63 -8.722 1.157 7.870 1.00 0.00 C ATOM 932 CG ASP A 63 -9.024 1.308 9.358 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.217 1.189 9.712 1.00 0.00 O ATOM 934 OD2 ASP A 63 -8.057 1.542 10.116 1.00 0.00 O ATOM 0 H ASP A 63 -8.387 1.344 5.453 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.105 2.666 7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.301 0.328 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.670 0.908 7.735 1.00 0.00 H new ATOM 939 N MET A 64 -6.999 3.810 7.189 1.00 0.00 N ATOM 940 CA MET A 64 -6.212 4.995 7.521 1.00 0.00 C ATOM 941 C MET A 64 -6.908 6.265 7.016 1.00 0.00 C ATOM 942 O MET A 64 -6.928 7.266 7.729 1.00 0.00 O ATOM 943 CB MET A 64 -4.778 4.892 6.983 1.00 0.00 C ATOM 944 CG MET A 64 -3.982 3.790 7.691 1.00 0.00 C ATOM 945 SD MET A 64 -2.249 3.646 7.175 1.00 0.00 S ATOM 946 CE MET A 64 -1.581 5.173 7.885 1.00 0.00 C ATOM 0 H MET A 64 -6.509 3.134 6.603 1.00 0.00 H new ATOM 0 HA MET A 64 -6.142 5.055 8.607 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.805 4.690 5.912 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.271 5.848 7.114 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.012 3.974 8.765 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.478 2.835 7.517 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.492 5.153 7.833 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.956 6.029 7.324 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.893 5.257 8.926 1.00 0.00 H new ATOM 956 N GLY A 65 -7.490 6.215 5.808 1.00 0.00 N ATOM 957 CA GLY A 65 -8.371 7.256 5.290 1.00 0.00 C ATOM 958 C GLY A 65 -7.860 7.831 3.975 1.00 0.00 C ATOM 959 O GLY A 65 -7.571 9.024 3.901 1.00 0.00 O ATOM 0 H GLY A 65 -7.356 5.438 5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.370 6.846 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.460 8.055 6.026 1.00 0.00 H new ATOM 963 N PHE A 66 -7.763 6.987 2.939 1.00 0.00 N ATOM 964 CA PHE A 66 -7.383 7.396 1.592 1.00 0.00 C ATOM 965 C PHE A 66 -8.221 6.643 0.561 1.00 0.00 C ATOM 966 O PHE A 66 -8.800 5.600 0.865 1.00 0.00 O ATOM 967 CB PHE A 66 -5.887 7.153 1.373 1.00 0.00 C ATOM 968 CG PHE A 66 -5.015 7.875 2.378 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.709 9.234 2.189 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.540 7.200 3.518 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.974 9.932 3.162 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.813 7.899 4.495 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.535 9.266 4.321 1.00 0.00 C ATOM 0 H PHE A 66 -7.950 5.988 3.021 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.575 8.462 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.687 6.083 1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.616 7.475 0.368 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.039 9.742 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.735 6.145 3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.746 10.978 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.467 7.386 5.380 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.984 9.805 5.077 1.00 0.00 H new ATOM 983 N ASP A 67 -8.277 7.178 -0.663 1.00 0.00 N ATOM 984 CA ASP A 67 -8.996 6.574 -1.773 1.00 0.00 C ATOM 985 C ASP A 67 -8.160 5.415 -2.314 1.00 0.00 C ATOM 986 O ASP A 67 -7.332 5.606 -3.204 1.00 0.00 O ATOM 987 CB ASP A 67 -9.270 7.629 -2.849 1.00 0.00 C ATOM 988 CG ASP A 67 -10.101 8.791 -2.311 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.329 8.597 -2.174 1.00 0.00 O ATOM 990 OD2 ASP A 67 -9.494 9.852 -2.046 1.00 0.00 O ATOM 0 H ASP A 67 -7.816 8.055 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.961 6.187 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.324 8.008 -3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.793 7.166 -3.686 1.00 0.00 H new ATOM 995 N ALA A 68 -8.383 4.221 -1.751 1.00 0.00 N ATOM 996 CA ALA A 68 -7.603 3.025 -2.022 1.00 0.00 C ATOM 997 C ALA A 68 -8.343 2.143 -3.028 1.00 0.00 C ATOM 998 O ALA A 68 -9.422 1.637 -2.720 1.00 0.00 O ATOM 999 CB ALA A 68 -7.356 2.282 -0.707 1.00 0.00 C ATOM 0 H ALA A 68 -9.133 4.065 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.640 3.293 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.771 1.383 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.810 2.929 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.311 2.004 -0.261 1.00 0.00 H new ATOM 1005 N THR A 69 -7.767 1.959 -4.223 1.00 0.00 N ATOM 1006 CA THR A 69 -8.308 1.095 -5.271 1.00 0.00 C ATOM 1007 C THR A 69 -7.154 0.367 -5.959 1.00 0.00 C ATOM 1008 O THR A 69 -6.060 0.912 -6.052 1.00 0.00 O ATOM 1009 CB THR A 69 -9.116 1.911 -6.294 1.00 0.00 C ATOM 1010 OG1 THR A 69 -8.293 2.879 -6.910 1.00 0.00 O ATOM 1011 CG2 THR A 69 -10.328 2.604 -5.662 1.00 0.00 C ATOM 0 H THR A 69 -6.895 2.417 -4.490 1.00 0.00 H new ATOM 0 HA THR A 69 -8.984 0.368 -4.822 1.00 0.00 H new ATOM 0 HB THR A 69 -9.485 1.206 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.819 3.390 -7.560 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.865 3.167 -6.426 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.991 1.855 -5.230 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.991 3.284 -4.880 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.383 -0.858 -6.446 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.343 -1.645 -7.100 1.00 0.00 C ATOM 1021 C LEU A 70 -6.055 -1.104 -8.503 1.00 0.00 C ATOM 1022 O LEU A 70 -6.971 -0.659 -9.194 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.757 -3.122 -7.186 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.163 -3.754 -5.844 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.466 -5.241 -6.053 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -6.073 -3.607 -4.776 1.00 0.00 C ATOM 0 H LEU A 70 -8.289 -1.325 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.436 -1.567 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.591 -3.212 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.929 -3.694 -7.606 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.048 -3.226 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.754 -5.691 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.282 -5.349 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.578 -5.743 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.409 -4.069 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.161 -4.097 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.873 -2.549 -4.603 1.00 0.00 H new ATOM 1038 N SER A 71 -4.784 -1.160 -8.920 1.00 0.00 N ATOM 1039 CA SER A 71 -4.341 -0.898 -10.288 1.00 0.00 C ATOM 1040 C SER A 71 -3.719 -2.162 -10.888 1.00 0.00 C ATOM 1041 O SER A 71 -3.960 -2.461 -12.056 1.00 0.00 O ATOM 1042 CB SER A 71 -3.371 0.291 -10.347 1.00 0.00 C ATOM 1043 OG SER A 71 -2.560 0.375 -9.197 1.00 0.00 O ATOM 0 H SER A 71 -4.015 -1.396 -8.293 1.00 0.00 H new ATOM 0 HA SER A 71 -5.210 -0.625 -10.886 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.738 0.198 -11.230 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.938 1.215 -10.458 1.00 0.00 H new ATOM 0 HG SER A 71 -2.461 -0.516 -8.801 1.00 0.00 H new ATOM 1049 N ASP A 72 -2.930 -2.900 -10.096 1.00 0.00 N ATOM 1050 CA ASP A 72 -2.333 -4.170 -10.487 1.00 0.00 C ATOM 1051 C ASP A 72 -2.392 -5.119 -9.294 1.00 0.00 C ATOM 1052 O ASP A 72 -1.895 -4.706 -8.226 1.00 0.00 O ATOM 1053 CB ASP A 72 -0.887 -3.943 -10.940 1.00 0.00 C ATOM 1054 CG ASP A 72 -0.187 -5.256 -11.280 1.00 0.00 C ATOM 1055 OD1 ASP A 72 -0.499 -5.805 -12.358 1.00 0.00 O ATOM 1056 OD2 ASP A 72 0.651 -5.685 -10.456 1.00 0.00 O ATOM 1057 OXT ASP A 72 -2.928 -6.235 -9.467 1.00 0.00 O ATOM 0 H ASP A 72 -2.688 -2.619 -9.146 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.880 -4.610 -11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.878 -3.290 -11.812 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.335 -3.430 -10.152 1.00 0.00 H new TER 1062 ASP A 72 HETATM 1063 AG AG A 73 -0.124 14.419 4.323 1.00 0.00 AG