USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 546 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 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 104 THR OG1 : rot -169:sc= 0.0507 USER MOD Set 2.1: A 58 ASN : amide:sc= 0.411 K(o=0.42,f=-8.3!) USER MOD Set 2.2: A 60 THR OG1 : rot 77:sc= 0.0089 USER MOD Single : A 28 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.024) USER MOD Single : A 31 SER OG : rot 74:sc= 1.19 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 97:sc= 1.27 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.145! C(o=0.14!,f=-4.6!) USER MOD Single : A 54 MET CE :methyl 170:sc= -1.88 (180deg=-2.25!) USER MOD Single : A 56 THR OG1 : rot 56:sc= -0.0862 USER MOD Single : A 57 SER OG : rot -25:sc= 0.0815 USER MOD Single : A 61 THR OG1 : rot 69:sc= 0.236 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 8:sc= 1.22 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.00799 K(o=-0.008,f=-2.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -42:sc= 1.23 USER MOD Single : A 81 GLN : amide:sc= 0.278 X(o=0.28,f=-0.19) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 174:sc= 1.33 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -155:sc= -0.537 (180deg=-1.13) USER MOD Single : A 105 SER OG : rot 180:sc= -0.926 USER MOD Single : A 106 ASN : amide:sc= 0.399 K(o=0.4,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 -0.014 -6.566 0.856 1.00 0.00 N ATOM 33 CA ASP A 25 1.224 -6.628 1.635 1.00 0.00 C ATOM 34 C ASP A 25 1.615 -5.255 2.189 1.00 0.00 C ATOM 35 O ASP A 25 2.588 -5.123 2.925 1.00 0.00 O ATOM 36 CB ASP A 25 2.354 -7.188 0.761 1.00 0.00 C ATOM 37 CG ASP A 25 3.570 -7.610 1.565 1.00 0.00 C ATOM 38 OD1 ASP A 25 3.496 -8.645 2.258 1.00 0.00 O ATOM 39 OD2 ASP A 25 4.606 -6.915 1.504 1.00 0.00 O ATOM 0 HA ASP A 25 1.056 -7.288 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.981 -8.044 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.651 -6.434 0.032 1.00 0.00 H new ATOM 44 N GLY A 26 0.822 -4.245 1.876 1.00 0.00 N ATOM 45 CA GLY A 26 1.162 -2.888 2.235 1.00 0.00 C ATOM 46 C GLY A 26 0.669 -1.916 1.194 1.00 0.00 C ATOM 47 O GLY A 26 0.797 -2.172 -0.002 1.00 0.00 O ATOM 0 H GLY A 26 -0.061 -4.343 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.724 -2.643 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.243 -2.796 2.341 1.00 0.00 H new ATOM 51 N VAL A 27 0.085 -0.815 1.633 1.00 0.00 N ATOM 52 CA VAL A 27 -0.448 0.171 0.708 1.00 0.00 C ATOM 53 C VAL A 27 0.658 1.074 0.182 1.00 0.00 C ATOM 54 O VAL A 27 1.594 1.423 0.901 1.00 0.00 O ATOM 55 CB VAL A 27 -1.572 1.026 1.338 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.782 0.164 1.665 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.079 1.745 2.583 1.00 0.00 C ATOM 0 H VAL A 27 -0.032 -0.581 2.619 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.884 -0.385 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.870 1.779 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.562 0.784 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.159 -0.296 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.494 -0.615 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.890 2.339 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.745 1.013 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.249 2.400 2.320 1.00 0.00 H new ATOM 67 N GLN A 28 0.556 1.427 -1.084 1.00 0.00 N ATOM 68 CA GLN A 28 1.543 2.278 -1.719 1.00 0.00 C ATOM 69 C GLN A 28 0.912 3.592 -2.154 1.00 0.00 C ATOM 70 O GLN A 28 -0.293 3.671 -2.366 1.00 0.00 O ATOM 71 CB GLN A 28 2.179 1.558 -2.916 1.00 0.00 C ATOM 72 CG GLN A 28 3.031 2.462 -3.799 1.00 0.00 C ATOM 73 CD GLN A 28 3.806 1.712 -4.858 1.00 0.00 C ATOM 74 OE1 GLN A 28 4.027 2.221 -5.957 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.244 0.511 -4.532 1.00 0.00 N ATOM 0 H GLN A 28 -0.206 1.136 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 28 2.328 2.500 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.797 0.739 -2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.389 1.114 -3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.387 3.196 -4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.730 3.015 -3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.038 0.126 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.788 -0.033 -5.202 1.00 0.00 H new ATOM 84 N ILE A 29 1.732 4.620 -2.271 1.00 0.00 N ATOM 85 CA ILE A 29 1.266 5.919 -2.719 1.00 0.00 C ATOM 86 C ILE A 29 1.175 5.934 -4.236 1.00 0.00 C ATOM 87 O ILE A 29 2.190 5.893 -4.934 1.00 0.00 O ATOM 88 CB ILE A 29 2.203 7.062 -2.262 1.00 0.00 C ATOM 89 CG1 ILE A 29 2.397 7.034 -0.744 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.652 8.415 -2.703 1.00 0.00 C ATOM 91 CD1 ILE A 29 1.114 7.224 0.034 1.00 0.00 C ATOM 0 H ILE A 29 2.729 4.580 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 29 0.285 6.085 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 29 3.174 6.912 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.846 6.082 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.102 7.816 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.324 9.207 -2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.571 8.438 -3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.667 8.568 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.328 7.193 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.674 8.188 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.414 6.428 -0.219 1.00 0.00 H new ATOM 103 N ASP A 30 -0.042 5.977 -4.740 1.00 0.00 N ATOM 104 CA ASP A 30 -0.271 6.007 -6.173 1.00 0.00 C ATOM 105 C ASP A 30 0.159 7.349 -6.728 1.00 0.00 C ATOM 106 O ASP A 30 1.095 7.433 -7.518 1.00 0.00 O ATOM 107 CB ASP A 30 -1.747 5.771 -6.483 1.00 0.00 C ATOM 108 CG ASP A 30 -2.033 5.668 -7.971 1.00 0.00 C ATOM 109 OD1 ASP A 30 -2.187 6.720 -8.627 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.124 4.533 -8.485 1.00 0.00 O ATOM 0 H ASP A 30 -0.892 5.992 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 30 0.315 5.214 -6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.073 4.854 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.336 6.586 -6.061 1.00 0.00 H new ATOM 115 N SER A 31 -0.513 8.401 -6.281 1.00 0.00 N ATOM 116 CA SER A 31 -0.213 9.742 -6.753 1.00 0.00 C ATOM 117 C SER A 31 -0.514 10.774 -5.673 1.00 0.00 C ATOM 118 O SER A 31 -1.410 10.582 -4.853 1.00 0.00 O ATOM 119 CB SER A 31 -1.041 10.067 -8.002 1.00 0.00 C ATOM 120 OG SER A 31 -0.897 9.071 -9.004 1.00 0.00 O ATOM 0 H SER A 31 -1.266 8.351 -5.595 1.00 0.00 H new ATOM 0 HA SER A 31 0.848 9.780 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.092 10.158 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.732 11.033 -8.402 1.00 0.00 H new ATOM 0 HG SER A 31 -1.395 8.269 -8.742 1.00 0.00 H new ATOM 126 N VAL A 32 0.244 11.855 -5.679 1.00 0.00 N ATOM 127 CA VAL A 32 -0.010 12.989 -4.804 1.00 0.00 C ATOM 128 C VAL A 32 -0.391 14.191 -5.656 1.00 0.00 C ATOM 129 O VAL A 32 0.419 14.682 -6.444 1.00 0.00 O ATOM 130 CB VAL A 32 1.222 13.335 -3.938 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.967 14.579 -3.100 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.595 12.167 -3.039 1.00 0.00 C ATOM 0 H VAL A 32 1.053 11.973 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.823 12.725 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 32 2.055 13.537 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.850 14.801 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.753 15.422 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.115 14.406 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.465 12.433 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.758 11.932 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.830 11.297 -3.652 1.00 0.00 H new ATOM 142 N VAL A 33 -1.629 14.642 -5.522 1.00 0.00 N ATOM 143 CA VAL A 33 -2.142 15.715 -6.356 1.00 0.00 C ATOM 144 C VAL A 33 -1.580 17.071 -5.927 1.00 0.00 C ATOM 145 O VAL A 33 -1.191 17.253 -4.773 1.00 0.00 O ATOM 146 CB VAL A 33 -3.685 15.761 -6.318 1.00 0.00 C ATOM 147 CG1 VAL A 33 -4.266 14.377 -6.547 1.00 0.00 C ATOM 148 CG2 VAL A 33 -4.195 16.353 -5.009 1.00 0.00 C ATOM 0 H VAL A 33 -2.297 14.280 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.819 15.509 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.018 16.414 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.354 14.430 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.948 14.005 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.914 13.701 -5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.285 16.370 -5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.848 15.744 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.817 17.369 -4.898 1.00 0.00 H new ATOM 158 N PRO A 34 -1.496 18.026 -6.866 1.00 0.00 N ATOM 159 CA PRO A 34 -1.127 19.404 -6.550 1.00 0.00 C ATOM 160 C PRO A 34 -2.234 20.101 -5.765 1.00 0.00 C ATOM 161 O PRO A 34 -3.351 20.276 -6.262 1.00 0.00 O ATOM 162 CB PRO A 34 -0.936 20.055 -7.922 1.00 0.00 C ATOM 163 CG PRO A 34 -1.752 19.227 -8.858 1.00 0.00 C ATOM 164 CD PRO A 34 -1.728 17.829 -8.306 1.00 0.00 C ATOM 0 HA PRO A 34 -0.236 19.468 -5.925 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.272 21.092 -7.917 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.114 20.061 -8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.773 19.603 -8.922 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.338 19.255 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.667 17.309 -8.493 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.937 17.232 -8.761 1.00 0.00 H new ATOM 172 N GLY A 35 -1.928 20.485 -4.538 1.00 0.00 N ATOM 173 CA GLY A 35 -2.943 21.025 -3.662 1.00 0.00 C ATOM 174 C GLY A 35 -3.511 19.944 -2.777 1.00 0.00 C ATOM 175 O GLY A 35 -3.079 18.797 -2.866 1.00 0.00 O ATOM 0 H GLY A 35 -0.994 20.432 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.516 21.818 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.740 21.474 -4.254 1.00 0.00 H new ATOM 179 N SER A 36 -4.467 20.301 -1.922 1.00 0.00 N ATOM 180 CA SER A 36 -5.079 19.343 -0.999 1.00 0.00 C ATOM 181 C SER A 36 -4.075 18.905 0.083 1.00 0.00 C ATOM 182 O SER A 36 -2.884 19.218 -0.001 1.00 0.00 O ATOM 183 CB SER A 36 -5.625 18.135 -1.769 1.00 0.00 C ATOM 184 OG SER A 36 -6.543 18.542 -2.774 1.00 0.00 O ATOM 0 H SER A 36 -4.837 21.249 -1.848 1.00 0.00 H new ATOM 0 HA SER A 36 -5.914 19.832 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.800 17.588 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.117 17.451 -1.078 1.00 0.00 H new ATOM 0 HG SER A 36 -6.876 17.754 -3.252 1.00 0.00 H new ATOM 190 N PRO A 37 -4.541 18.216 1.139 1.00 0.00 N ATOM 191 CA PRO A 37 -3.662 17.735 2.214 1.00 0.00 C ATOM 192 C PRO A 37 -2.660 16.684 1.733 1.00 0.00 C ATOM 193 O PRO A 37 -2.895 16.012 0.726 1.00 0.00 O ATOM 194 CB PRO A 37 -4.631 17.120 3.227 1.00 0.00 C ATOM 195 CG PRO A 37 -5.860 16.810 2.449 1.00 0.00 C ATOM 196 CD PRO A 37 -5.953 17.867 1.389 1.00 0.00 C ATOM 0 HA PRO A 37 -3.052 18.541 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.212 16.220 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.844 17.814 4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.801 15.816 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.741 16.821 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.441 17.493 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.527 18.729 1.729 1.00 0.00 H new ATOM 204 N ALA A 38 -1.535 16.580 2.457 1.00 0.00 N ATOM 205 CA ALA A 38 -0.482 15.587 2.192 1.00 0.00 C ATOM 206 C ALA A 38 0.383 15.971 0.993 1.00 0.00 C ATOM 207 O ALA A 38 1.455 15.398 0.779 1.00 0.00 O ATOM 208 CB ALA A 38 -1.067 14.193 1.994 1.00 0.00 C ATOM 0 H ALA A 38 -1.329 17.188 3.250 1.00 0.00 H new ATOM 0 HA ALA A 38 0.158 15.573 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.262 13.485 1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.606 13.893 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.753 14.203 1.147 1.00 0.00 H new ATOM 214 N SER A 39 -0.075 16.960 0.237 1.00 0.00 N ATOM 215 CA SER A 39 0.589 17.375 -0.992 1.00 0.00 C ATOM 216 C SER A 39 1.985 17.939 -0.716 1.00 0.00 C ATOM 217 O SER A 39 2.895 17.802 -1.536 1.00 0.00 O ATOM 218 CB SER A 39 -0.273 18.421 -1.704 1.00 0.00 C ATOM 219 OG SER A 39 0.187 18.670 -3.020 1.00 0.00 O ATOM 0 H SER A 39 -0.915 17.496 0.457 1.00 0.00 H new ATOM 0 HA SER A 39 0.711 16.499 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.307 18.078 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.264 19.350 -1.133 1.00 0.00 H new ATOM 0 HG SER A 39 -0.334 18.135 -3.655 1.00 0.00 H new ATOM 225 N LYS A 40 2.155 18.550 0.446 1.00 0.00 N ATOM 226 CA LYS A 40 3.408 19.207 0.784 1.00 0.00 C ATOM 227 C LYS A 40 4.218 18.368 1.766 1.00 0.00 C ATOM 228 O LYS A 40 5.155 18.865 2.398 1.00 0.00 O ATOM 229 CB LYS A 40 3.119 20.589 1.373 1.00 0.00 C ATOM 230 CG LYS A 40 3.710 21.740 0.571 1.00 0.00 C ATOM 231 CD LYS A 40 5.222 21.823 0.729 1.00 0.00 C ATOM 232 CE LYS A 40 5.611 22.163 2.161 1.00 0.00 C ATOM 233 NZ LYS A 40 7.085 22.240 2.344 1.00 0.00 N ATOM 0 H LYS A 40 1.440 18.605 1.172 1.00 0.00 H new ATOM 0 HA LYS A 40 4.000 19.319 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.040 20.725 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.511 20.629 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.461 21.614 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.259 22.678 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.672 20.872 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.619 22.580 0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.162 23.116 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.203 21.409 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.300 22.474 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.513 21.323 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.474 22.977 1.722 1.00 0.00 H new ATOM 247 N VAL A 41 3.869 17.091 1.888 1.00 0.00 N ATOM 248 CA VAL A 41 4.544 16.213 2.835 1.00 0.00 C ATOM 249 C VAL A 41 5.095 14.962 2.152 1.00 0.00 C ATOM 250 O VAL A 41 6.285 14.662 2.258 1.00 0.00 O ATOM 251 CB VAL A 41 3.606 15.793 3.992 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.371 15.004 5.042 1.00 0.00 C ATOM 253 CG2 VAL A 41 2.936 17.008 4.617 1.00 0.00 C ATOM 0 H VAL A 41 3.128 16.645 1.347 1.00 0.00 H new ATOM 0 HA VAL A 41 5.376 16.785 3.245 1.00 0.00 H new ATOM 0 HB VAL A 41 2.827 15.152 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.694 14.718 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.793 14.108 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.175 15.620 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.282 16.686 5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.698 17.681 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.348 17.528 3.861 1.00 0.00 H new ATOM 263 N LEU A 42 4.236 14.242 1.442 1.00 0.00 N ATOM 264 CA LEU A 42 4.618 12.955 0.875 1.00 0.00 C ATOM 265 C LEU A 42 5.027 13.077 -0.587 1.00 0.00 C ATOM 266 O LEU A 42 4.973 14.153 -1.179 1.00 0.00 O ATOM 267 CB LEU A 42 3.483 11.930 1.009 1.00 0.00 C ATOM 268 CG LEU A 42 3.254 11.377 2.419 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.585 12.408 3.306 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.425 10.103 2.365 1.00 0.00 C ATOM 0 H LEU A 42 3.276 14.525 1.246 1.00 0.00 H new ATOM 0 HA LEU A 42 5.480 12.607 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.558 12.392 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.691 11.095 0.340 1.00 0.00 H new ATOM 0 HG LEU A 42 4.227 11.140 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.434 11.989 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.218 13.293 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.621 12.685 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.273 9.725 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.459 10.317 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.949 9.353 1.772 1.00 0.00 H new ATOM 282 N THR A 43 5.446 11.957 -1.149 1.00 0.00 N ATOM 283 CA THR A 43 5.875 11.889 -2.534 1.00 0.00 C ATOM 284 C THR A 43 5.270 10.647 -3.193 1.00 0.00 C ATOM 285 O THR A 43 5.265 9.568 -2.595 1.00 0.00 O ATOM 286 CB THR A 43 7.417 11.840 -2.613 1.00 0.00 C ATOM 287 OG1 THR A 43 7.969 12.926 -1.856 1.00 0.00 O ATOM 288 CG2 THR A 43 7.908 11.927 -4.052 1.00 0.00 C ATOM 0 H THR A 43 5.498 11.066 -0.655 1.00 0.00 H new ATOM 0 HA THR A 43 5.532 12.779 -3.062 1.00 0.00 H new ATOM 0 HB THR A 43 7.745 10.886 -2.200 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.947 12.895 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.997 11.890 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.508 11.090 -4.624 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.571 12.864 -4.495 1.00 0.00 H new ATOM 296 N PRO A 44 4.717 10.786 -4.411 1.00 0.00 N ATOM 297 CA PRO A 44 4.114 9.659 -5.125 1.00 0.00 C ATOM 298 C PRO A 44 5.121 8.560 -5.434 1.00 0.00 C ATOM 299 O PRO A 44 6.263 8.833 -5.811 1.00 0.00 O ATOM 300 CB PRO A 44 3.586 10.277 -6.422 1.00 0.00 C ATOM 301 CG PRO A 44 4.318 11.568 -6.572 1.00 0.00 C ATOM 302 CD PRO A 44 4.625 12.040 -5.181 1.00 0.00 C ATOM 0 HA PRO A 44 3.340 9.179 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.769 9.621 -7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.509 10.439 -6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.234 11.432 -7.148 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.712 12.299 -7.106 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.557 12.604 -5.144 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.842 12.693 -4.795 1.00 0.00 H new ATOM 310 N GLY A 45 4.684 7.319 -5.276 1.00 0.00 N ATOM 311 CA GLY A 45 5.550 6.189 -5.555 1.00 0.00 C ATOM 312 C GLY A 45 6.064 5.487 -4.308 1.00 0.00 C ATOM 313 O GLY A 45 6.600 4.381 -4.400 1.00 0.00 O ATOM 0 H GLY A 45 3.746 7.073 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.007 5.470 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.401 6.532 -6.144 1.00 0.00 H new ATOM 317 N LEU A 46 5.906 6.110 -3.144 1.00 0.00 N ATOM 318 CA LEU A 46 6.428 5.536 -1.905 1.00 0.00 C ATOM 319 C LEU A 46 5.499 4.446 -1.371 1.00 0.00 C ATOM 320 O LEU A 46 4.337 4.367 -1.760 1.00 0.00 O ATOM 321 CB LEU A 46 6.600 6.625 -0.839 1.00 0.00 C ATOM 322 CG LEU A 46 7.446 7.827 -1.258 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.604 8.793 -0.095 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.804 7.376 -1.766 1.00 0.00 C ATOM 0 H LEU A 46 5.426 7.003 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 46 7.398 5.093 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.613 6.982 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.051 6.175 0.045 1.00 0.00 H new ATOM 0 HG LEU A 46 6.934 8.343 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.209 9.644 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.622 9.143 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.095 8.285 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.390 8.247 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.327 6.836 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.671 6.721 -2.627 1.00 0.00 H new ATOM 336 N VAL A 47 6.010 3.624 -0.465 1.00 0.00 N ATOM 337 CA VAL A 47 5.211 2.565 0.151 1.00 0.00 C ATOM 338 C VAL A 47 4.966 2.876 1.627 1.00 0.00 C ATOM 339 O VAL A 47 5.875 3.310 2.329 1.00 0.00 O ATOM 340 CB VAL A 47 5.905 1.188 0.030 1.00 0.00 C ATOM 341 CG1 VAL A 47 5.023 0.075 0.577 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.290 0.903 -1.415 1.00 0.00 C ATOM 0 H VAL A 47 6.975 3.667 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 47 4.260 2.523 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 47 6.814 1.221 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.539 -0.880 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.809 0.264 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.089 0.043 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.777 -0.070 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.395 0.901 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.975 1.674 -1.768 1.00 0.00 H new ATOM 352 N ILE A 48 3.744 2.655 2.088 1.00 0.00 N ATOM 353 CA ILE A 48 3.377 2.933 3.476 1.00 0.00 C ATOM 354 C ILE A 48 3.554 1.696 4.353 1.00 0.00 C ATOM 355 O ILE A 48 2.999 0.632 4.074 1.00 0.00 O ATOM 356 CB ILE A 48 1.919 3.422 3.592 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.692 4.644 2.698 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.579 3.745 5.043 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.257 5.128 2.692 1.00 0.00 C ATOM 0 H ILE A 48 2.983 2.282 1.520 1.00 0.00 H new ATOM 0 HA ILE A 48 4.045 3.722 3.822 1.00 0.00 H new ATOM 0 HB ILE A 48 1.258 2.624 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.339 5.455 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.989 4.399 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.547 4.089 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.702 2.850 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.245 4.527 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.168 5.996 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.394 4.332 2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.038 5.405 3.704 1.00 0.00 H new ATOM 371 N GLU A 49 4.328 1.858 5.414 1.00 0.00 N ATOM 372 CA GLU A 49 4.541 0.808 6.394 1.00 0.00 C ATOM 373 C GLU A 49 3.329 0.706 7.304 1.00 0.00 C ATOM 374 O GLU A 49 2.726 -0.361 7.456 1.00 0.00 O ATOM 375 CB GLU A 49 5.782 1.137 7.229 1.00 0.00 C ATOM 376 CG GLU A 49 6.132 0.099 8.286 1.00 0.00 C ATOM 377 CD GLU A 49 6.505 -1.244 7.698 1.00 0.00 C ATOM 378 OE1 GLU A 49 7.657 -1.392 7.240 1.00 0.00 O ATOM 379 OE2 GLU A 49 5.657 -2.160 7.707 1.00 0.00 O ATOM 0 H GLU A 49 4.827 2.724 5.619 1.00 0.00 H new ATOM 0 HA GLU A 49 4.688 -0.143 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.633 1.254 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.628 2.098 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.962 0.468 8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.283 -0.028 8.957 1.00 0.00 H new ATOM 386 N SER A 50 2.966 1.832 7.890 1.00 0.00 N ATOM 387 CA SER A 50 1.876 1.869 8.850 1.00 0.00 C ATOM 388 C SER A 50 1.354 3.283 9.049 1.00 0.00 C ATOM 389 O SER A 50 2.061 4.264 8.797 1.00 0.00 O ATOM 390 CB SER A 50 2.333 1.276 10.187 1.00 0.00 C ATOM 391 OG SER A 50 3.628 1.733 10.541 1.00 0.00 O ATOM 0 H SER A 50 3.410 2.734 7.718 1.00 0.00 H new ATOM 0 HA SER A 50 1.058 1.268 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.624 1.548 10.969 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.335 0.188 10.122 1.00 0.00 H new ATOM 0 HG SER A 50 3.891 1.339 11.399 1.00 0.00 H new ATOM 397 N ILE A 51 0.103 3.374 9.484 1.00 0.00 N ATOM 398 CA ILE A 51 -0.516 4.654 9.797 1.00 0.00 C ATOM 399 C ILE A 51 -1.008 4.641 11.237 1.00 0.00 C ATOM 400 O ILE A 51 -1.999 3.983 11.554 1.00 0.00 O ATOM 401 CB ILE A 51 -1.704 4.976 8.861 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.249 5.021 7.399 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.351 6.301 9.261 1.00 0.00 C ATOM 404 CD1 ILE A 51 -2.363 5.352 6.431 1.00 0.00 C ATOM 0 H ILE A 51 -0.506 2.569 9.629 1.00 0.00 H new ATOM 0 HA ILE A 51 0.241 5.425 9.654 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.444 4.182 8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.456 5.762 7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.820 4.056 7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.186 6.515 8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.715 6.233 10.286 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.615 7.102 9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.969 5.367 5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.146 4.598 6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.777 6.330 6.674 1.00 0.00 H new ATOM 416 N ASN A 52 -0.305 5.363 12.107 1.00 0.00 N ATOM 417 CA ASN A 52 -0.614 5.355 13.532 1.00 0.00 C ATOM 418 C ASN A 52 -0.440 3.922 14.048 1.00 0.00 C ATOM 419 O ASN A 52 0.361 3.165 13.500 1.00 0.00 O ATOM 420 CB ASN A 52 -2.038 5.893 13.773 1.00 0.00 C ATOM 421 CG ASN A 52 -2.322 6.252 15.224 1.00 0.00 C ATOM 422 OD1 ASN A 52 -2.826 5.431 15.994 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.006 7.476 15.608 1.00 0.00 N ATOM 0 H ASN A 52 0.481 5.960 11.849 1.00 0.00 H new ATOM 0 HA ASN A 52 0.063 6.011 14.080 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.192 6.776 13.153 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.759 5.144 13.446 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.178 7.769 16.570 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.590 8.128 14.943 1.00 0.00 H new ATOM 430 N GLY A 53 -1.161 3.545 15.094 1.00 0.00 N ATOM 431 CA GLY A 53 -1.051 2.198 15.626 1.00 0.00 C ATOM 432 C GLY A 53 -1.720 1.149 14.745 1.00 0.00 C ATOM 433 O GLY A 53 -1.874 -0.004 15.153 1.00 0.00 O ATOM 0 H GLY A 53 -1.821 4.147 15.586 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.003 1.946 15.744 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.499 2.169 16.619 1.00 0.00 H new ATOM 437 N MET A 54 -2.128 1.547 13.544 1.00 0.00 N ATOM 438 CA MET A 54 -2.743 0.626 12.599 1.00 0.00 C ATOM 439 C MET A 54 -1.860 0.460 11.366 1.00 0.00 C ATOM 440 O MET A 54 -1.778 1.357 10.525 1.00 0.00 O ATOM 441 CB MET A 54 -4.131 1.117 12.167 1.00 0.00 C ATOM 442 CG MET A 54 -5.123 1.295 13.307 1.00 0.00 C ATOM 443 SD MET A 54 -4.847 2.803 14.262 1.00 0.00 S ATOM 444 CE MET A 54 -5.069 4.047 12.989 1.00 0.00 C ATOM 0 H MET A 54 -2.043 2.505 13.203 1.00 0.00 H new ATOM 0 HA MET A 54 -2.853 -0.335 13.101 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.020 2.069 11.648 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.545 0.409 11.449 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.134 1.310 12.901 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.060 0.434 13.973 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.107 5.035 13.448 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.234 4.004 12.289 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.000 3.859 12.455 1.00 0.00 H new ATOM 454 N PRO A 55 -1.171 -0.679 11.242 1.00 0.00 N ATOM 455 CA PRO A 55 -0.339 -0.957 10.077 1.00 0.00 C ATOM 456 C PRO A 55 -1.175 -1.295 8.847 1.00 0.00 C ATOM 457 O PRO A 55 -2.073 -2.138 8.898 1.00 0.00 O ATOM 458 CB PRO A 55 0.494 -2.156 10.513 1.00 0.00 C ATOM 459 CG PRO A 55 -0.341 -2.852 11.534 1.00 0.00 C ATOM 460 CD PRO A 55 -1.142 -1.778 12.225 1.00 0.00 C ATOM 0 HA PRO A 55 0.263 -0.097 9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.715 -2.811 9.670 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.450 -1.842 10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.997 -3.586 11.066 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.284 -3.391 12.246 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.147 -2.123 12.471 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.674 -1.468 13.159 1.00 0.00 H new ATOM 468 N THR A 56 -0.878 -0.642 7.738 1.00 0.00 N ATOM 469 CA THR A 56 -1.652 -0.828 6.529 1.00 0.00 C ATOM 470 C THR A 56 -0.983 -1.812 5.578 1.00 0.00 C ATOM 471 O THR A 56 -0.371 -1.423 4.583 1.00 0.00 O ATOM 472 CB THR A 56 -1.881 0.506 5.809 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.645 1.228 5.737 1.00 0.00 O ATOM 474 CG2 THR A 56 -2.927 1.343 6.531 1.00 0.00 C ATOM 0 H THR A 56 -0.107 0.020 7.652 1.00 0.00 H new ATOM 0 HA THR A 56 -2.615 -1.240 6.831 1.00 0.00 H new ATOM 0 HB THR A 56 -2.246 0.299 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.033 0.674 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.070 2.284 6.000 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.870 0.798 6.564 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.591 1.548 7.547 1.00 0.00 H new ATOM 482 N SER A 57 -1.087 -3.087 5.910 1.00 0.00 N ATOM 483 CA SER A 57 -0.575 -4.149 5.060 1.00 0.00 C ATOM 484 C SER A 57 -1.649 -4.580 4.067 1.00 0.00 C ATOM 485 O SER A 57 -1.390 -5.311 3.117 1.00 0.00 O ATOM 486 CB SER A 57 -0.123 -5.335 5.915 1.00 0.00 C ATOM 487 OG SER A 57 0.472 -6.347 5.123 1.00 0.00 O ATOM 0 H SER A 57 -1.526 -3.415 6.771 1.00 0.00 H new ATOM 0 HA SER A 57 0.286 -3.779 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.589 -4.993 6.666 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.979 -5.746 6.451 1.00 0.00 H new ATOM 0 HG SER A 57 0.127 -6.291 4.208 1.00 0.00 H new ATOM 493 N ASN A 58 -2.865 -4.131 4.305 1.00 0.00 N ATOM 494 CA ASN A 58 -3.987 -4.513 3.474 1.00 0.00 C ATOM 495 C ASN A 58 -4.739 -3.263 3.035 1.00 0.00 C ATOM 496 O ASN A 58 -4.396 -2.152 3.445 1.00 0.00 O ATOM 497 CB ASN A 58 -4.916 -5.425 4.278 1.00 0.00 C ATOM 498 CG ASN A 58 -5.853 -6.245 3.425 1.00 0.00 C ATOM 499 OD1 ASN A 58 -6.940 -5.797 3.059 1.00 0.00 O ATOM 500 ND2 ASN A 58 -5.439 -7.457 3.115 1.00 0.00 N ATOM 0 H ASN A 58 -3.101 -3.499 5.070 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.633 -5.045 2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.312 -6.097 4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.504 -4.815 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.028 -8.068 2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.530 -7.784 3.441 1.00 0.00 H new ATOM 507 N LEU A 59 -5.771 -3.439 2.231 1.00 0.00 N ATOM 508 CA LEU A 59 -6.599 -2.323 1.811 1.00 0.00 C ATOM 509 C LEU A 59 -7.743 -2.131 2.795 1.00 0.00 C ATOM 510 O LEU A 59 -8.156 -1.006 3.077 1.00 0.00 O ATOM 511 CB LEU A 59 -7.131 -2.543 0.395 1.00 0.00 C ATOM 512 CG LEU A 59 -6.488 -1.659 -0.679 1.00 0.00 C ATOM 513 CD1 LEU A 59 -7.129 -1.908 -2.039 1.00 0.00 C ATOM 514 CD2 LEU A 59 -6.593 -0.188 -0.297 1.00 0.00 C ATOM 0 H LEU A 59 -6.056 -4.344 1.856 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.990 -1.419 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.980 -3.588 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.207 -2.366 0.395 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.432 -1.921 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.657 -1.270 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.996 -2.953 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.193 -1.679 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.131 0.423 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.643 0.088 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.081 -0.021 0.650 1.00 0.00 H new ATOM 526 N THR A 60 -8.229 -3.238 3.343 1.00 0.00 N ATOM 527 CA THR A 60 -9.273 -3.194 4.351 1.00 0.00 C ATOM 528 C THR A 60 -8.769 -2.480 5.603 1.00 0.00 C ATOM 529 O THR A 60 -9.496 -1.702 6.215 1.00 0.00 O ATOM 530 CB THR A 60 -9.746 -4.614 4.724 1.00 0.00 C ATOM 531 OG1 THR A 60 -10.098 -5.335 3.536 1.00 0.00 O ATOM 532 CG2 THR A 60 -10.941 -4.570 5.665 1.00 0.00 C ATOM 0 H THR A 60 -7.914 -4.178 3.103 1.00 0.00 H new ATOM 0 HA THR A 60 -10.117 -2.645 3.933 1.00 0.00 H new ATOM 0 HB THR A 60 -8.927 -5.119 5.235 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.283 -5.638 3.084 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.250 -5.587 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.665 -4.046 6.580 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.766 -4.046 5.182 1.00 0.00 H new ATOM 540 N THR A 61 -7.509 -2.726 5.957 1.00 0.00 N ATOM 541 CA THR A 61 -6.897 -2.070 7.106 1.00 0.00 C ATOM 542 C THR A 61 -6.805 -0.565 6.875 1.00 0.00 C ATOM 543 O THR A 61 -7.027 0.226 7.786 1.00 0.00 O ATOM 544 CB THR A 61 -5.492 -2.641 7.396 1.00 0.00 C ATOM 545 OG1 THR A 61 -4.719 -2.684 6.188 1.00 0.00 O ATOM 546 CG2 THR A 61 -5.589 -4.036 7.993 1.00 0.00 C ATOM 0 H THR A 61 -6.895 -3.374 5.464 1.00 0.00 H new ATOM 0 HA THR A 61 -7.531 -2.262 7.972 1.00 0.00 H new ATOM 0 HB THR A 61 -5.000 -1.988 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.509 -1.771 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.587 -4.418 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.151 -3.994 8.926 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.099 -4.697 7.292 1.00 0.00 H new ATOM 554 N TYR A 62 -6.505 -0.185 5.637 1.00 0.00 N ATOM 555 CA TYR A 62 -6.427 1.219 5.259 1.00 0.00 C ATOM 556 C TYR A 62 -7.803 1.863 5.370 1.00 0.00 C ATOM 557 O TYR A 62 -7.949 2.969 5.892 1.00 0.00 O ATOM 558 CB TYR A 62 -5.887 1.345 3.828 1.00 0.00 C ATOM 559 CG TYR A 62 -5.835 2.763 3.300 1.00 0.00 C ATOM 560 CD1 TYR A 62 -4.860 3.656 3.730 1.00 0.00 C ATOM 561 CD2 TYR A 62 -6.762 3.206 2.365 1.00 0.00 C ATOM 562 CE1 TYR A 62 -4.812 4.948 3.243 1.00 0.00 C ATOM 563 CE2 TYR A 62 -6.720 4.496 1.872 1.00 0.00 C ATOM 564 CZ TYR A 62 -5.746 5.364 2.315 1.00 0.00 C ATOM 565 OH TYR A 62 -5.702 6.650 1.828 1.00 0.00 O ATOM 0 H TYR A 62 -6.311 -0.835 4.875 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.746 1.736 5.935 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.884 0.921 3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.510 0.746 3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.128 3.335 4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.529 2.530 2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.048 5.629 3.586 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.447 4.822 1.143 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.428 6.781 1.183 1.00 0.00 H new ATOM 575 N SER A 63 -8.810 1.151 4.888 1.00 0.00 N ATOM 576 CA SER A 63 -10.179 1.632 4.930 1.00 0.00 C ATOM 577 C SER A 63 -10.653 1.767 6.375 1.00 0.00 C ATOM 578 O SER A 63 -11.200 2.799 6.771 1.00 0.00 O ATOM 579 CB SER A 63 -11.092 0.668 4.165 1.00 0.00 C ATOM 580 OG SER A 63 -12.362 1.247 3.907 1.00 0.00 O ATOM 0 H SER A 63 -8.701 0.231 4.460 1.00 0.00 H new ATOM 0 HA SER A 63 -10.220 2.614 4.459 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.620 0.389 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.219 -0.248 4.741 1.00 0.00 H new ATOM 0 HG SER A 63 -12.920 0.607 3.416 1.00 0.00 H new ATOM 586 N ALA A 64 -10.417 0.725 7.164 1.00 0.00 N ATOM 587 CA ALA A 64 -10.868 0.696 8.546 1.00 0.00 C ATOM 588 C ALA A 64 -10.165 1.753 9.387 1.00 0.00 C ATOM 589 O ALA A 64 -10.738 2.283 10.339 1.00 0.00 O ATOM 590 CB ALA A 64 -10.652 -0.683 9.143 1.00 0.00 C ATOM 0 H ALA A 64 -9.915 -0.112 6.867 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.934 0.923 8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.994 -0.689 10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.215 -1.420 8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.591 -0.932 9.110 1.00 0.00 H new ATOM 596 N ALA A 65 -8.927 2.059 9.030 1.00 0.00 N ATOM 597 CA ALA A 65 -8.160 3.058 9.751 1.00 0.00 C ATOM 598 C ALA A 65 -8.664 4.452 9.418 1.00 0.00 C ATOM 599 O ALA A 65 -8.875 5.274 10.309 1.00 0.00 O ATOM 600 CB ALA A 65 -6.681 2.935 9.423 1.00 0.00 C ATOM 0 H ALA A 65 -8.435 1.630 8.247 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.289 2.888 10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.122 3.692 9.973 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.326 1.944 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.532 3.080 8.353 1.00 0.00 H new ATOM 606 N LEU A 66 -8.889 4.696 8.133 1.00 0.00 N ATOM 607 CA LEU A 66 -9.322 6.004 7.656 1.00 0.00 C ATOM 608 C LEU A 66 -10.649 6.384 8.300 1.00 0.00 C ATOM 609 O LEU A 66 -10.833 7.509 8.763 1.00 0.00 O ATOM 610 CB LEU A 66 -9.466 5.976 6.129 1.00 0.00 C ATOM 611 CG LEU A 66 -9.138 7.285 5.402 1.00 0.00 C ATOM 612 CD1 LEU A 66 -9.107 7.061 3.900 1.00 0.00 C ATOM 613 CD2 LEU A 66 -10.146 8.371 5.742 1.00 0.00 C ATOM 0 H LEU A 66 -8.778 3.999 7.397 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.575 6.749 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.818 5.193 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.490 5.694 5.885 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.154 7.615 5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.873 7.999 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.345 6.320 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.081 6.703 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.887 9.287 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.143 8.048 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.132 8.557 6.816 1.00 0.00 H new ATOM 625 N LYS A 67 -11.556 5.420 8.353 1.00 0.00 N ATOM 626 CA LYS A 67 -12.888 5.641 8.904 1.00 0.00 C ATOM 627 C LYS A 67 -12.846 6.008 10.390 1.00 0.00 C ATOM 628 O LYS A 67 -13.781 6.619 10.906 1.00 0.00 O ATOM 629 CB LYS A 67 -13.754 4.400 8.689 1.00 0.00 C ATOM 630 CG LYS A 67 -14.087 4.149 7.228 1.00 0.00 C ATOM 631 CD LYS A 67 -14.821 2.832 7.020 1.00 0.00 C ATOM 632 CE LYS A 67 -16.124 2.775 7.803 1.00 0.00 C ATOM 633 NZ LYS A 67 -16.955 1.609 7.403 1.00 0.00 N ATOM 0 H LYS A 67 -11.394 4.470 8.019 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.326 6.488 8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.236 3.529 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.681 4.509 9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.701 4.968 6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.167 4.146 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.030 2.697 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.178 2.007 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.906 2.718 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.686 3.695 7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.835 1.603 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.184 1.677 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.428 0.730 7.580 1.00 0.00 H new ATOM 647 N THR A 68 -11.769 5.641 11.076 1.00 0.00 N ATOM 648 CA THR A 68 -11.638 5.958 12.492 1.00 0.00 C ATOM 649 C THR A 68 -10.908 7.285 12.706 1.00 0.00 C ATOM 650 O THR A 68 -10.918 7.837 13.805 1.00 0.00 O ATOM 651 CB THR A 68 -10.924 4.837 13.277 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.658 4.515 12.680 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.792 3.588 13.344 1.00 0.00 C ATOM 0 H THR A 68 -10.982 5.129 10.679 1.00 0.00 H new ATOM 0 HA THR A 68 -12.653 6.049 12.878 1.00 0.00 H new ATOM 0 HB THR A 68 -10.750 5.203 14.289 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.459 5.159 11.968 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.269 2.811 13.902 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.731 3.824 13.844 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.998 3.233 12.334 1.00 0.00 H new ATOM 661 N ILE A 69 -10.272 7.796 11.656 1.00 0.00 N ATOM 662 CA ILE A 69 -9.532 9.049 11.758 1.00 0.00 C ATOM 663 C ILE A 69 -10.497 10.233 11.725 1.00 0.00 C ATOM 664 O ILE A 69 -11.465 10.237 10.965 1.00 0.00 O ATOM 665 CB ILE A 69 -8.488 9.203 10.626 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.570 7.977 10.560 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.661 10.470 10.823 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.830 7.685 11.852 1.00 0.00 C ATOM 0 H ILE A 69 -10.254 7.366 10.731 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.996 9.031 12.707 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.027 9.283 9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.166 7.105 10.290 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.842 8.125 9.762 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.933 10.559 10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.319 11.339 10.815 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.139 10.419 11.778 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.203 6.803 11.721 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.205 8.539 12.114 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.550 7.503 12.650 1.00 0.00 H new ATOM 680 N SER A 70 -10.237 11.225 12.562 1.00 0.00 N ATOM 681 CA SER A 70 -11.104 12.386 12.661 1.00 0.00 C ATOM 682 C SER A 70 -10.691 13.466 11.656 1.00 0.00 C ATOM 683 O SER A 70 -9.601 13.409 11.080 1.00 0.00 O ATOM 684 CB SER A 70 -11.041 12.943 14.083 1.00 0.00 C ATOM 685 OG SER A 70 -11.162 11.902 15.043 1.00 0.00 O ATOM 0 H SER A 70 -9.429 11.248 13.184 1.00 0.00 H new ATOM 0 HA SER A 70 -12.125 12.082 12.429 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.098 13.470 14.230 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.839 13.671 14.228 1.00 0.00 H new ATOM 0 HG SER A 70 -11.117 12.282 15.945 1.00 0.00 H new ATOM 691 N VAL A 71 -11.571 14.439 11.445 1.00 0.00 N ATOM 692 CA VAL A 71 -11.288 15.565 10.563 1.00 0.00 C ATOM 693 C VAL A 71 -10.276 16.510 11.211 1.00 0.00 C ATOM 694 O VAL A 71 -10.402 16.844 12.390 1.00 0.00 O ATOM 695 CB VAL A 71 -12.576 16.352 10.233 1.00 0.00 C ATOM 696 CG1 VAL A 71 -12.269 17.553 9.348 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.606 15.453 9.566 1.00 0.00 C ATOM 0 H VAL A 71 -12.494 14.470 11.877 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.873 15.162 9.639 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.993 16.715 11.172 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.192 18.090 9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.576 18.217 9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.819 17.212 8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.503 16.030 9.344 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.194 15.052 8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.860 14.631 10.236 1.00 0.00 H new ATOM 707 N GLY A 72 -9.273 16.928 10.443 1.00 0.00 N ATOM 708 CA GLY A 72 -8.270 17.845 10.957 1.00 0.00 C ATOM 709 C GLY A 72 -7.356 17.179 11.964 1.00 0.00 C ATOM 710 O GLY A 72 -6.806 17.832 12.849 1.00 0.00 O ATOM 0 H GLY A 72 -9.137 16.647 9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.676 18.234 10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.763 18.698 11.423 1.00 0.00 H new ATOM 714 N GLU A 73 -7.194 15.875 11.821 1.00 0.00 N ATOM 715 CA GLU A 73 -6.391 15.098 12.745 1.00 0.00 C ATOM 716 C GLU A 73 -5.010 14.865 12.158 1.00 0.00 C ATOM 717 O GLU A 73 -4.841 14.838 10.939 1.00 0.00 O ATOM 718 CB GLU A 73 -7.072 13.764 13.047 1.00 0.00 C ATOM 719 CG GLU A 73 -6.380 12.940 14.119 1.00 0.00 C ATOM 720 CD GLU A 73 -6.203 13.705 15.415 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.125 13.680 16.261 1.00 0.00 O ATOM 722 OE2 GLU A 73 -5.141 14.332 15.597 1.00 0.00 O ATOM 0 H GLU A 73 -7.612 15.330 11.067 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.289 15.652 13.678 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.099 13.955 13.358 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.121 13.178 12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.960 12.037 14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.404 12.620 13.753 1.00 0.00 H new ATOM 729 N VAL A 74 -4.028 14.696 13.024 1.00 0.00 N ATOM 730 CA VAL A 74 -2.662 14.477 12.588 1.00 0.00 C ATOM 731 C VAL A 74 -2.256 13.033 12.844 1.00 0.00 C ATOM 732 O VAL A 74 -2.106 12.610 13.993 1.00 0.00 O ATOM 733 CB VAL A 74 -1.671 15.424 13.301 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.244 15.194 12.816 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.079 16.874 13.103 1.00 0.00 C ATOM 0 H VAL A 74 -4.152 14.706 14.036 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.623 14.690 11.520 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.702 15.201 14.367 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.431 15.874 13.335 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.049 14.165 13.022 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.190 15.378 11.743 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.369 17.525 13.613 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.086 17.108 12.038 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.076 17.031 13.516 1.00 0.00 H new ATOM 745 N ILE A 75 -2.074 12.286 11.769 1.00 0.00 N ATOM 746 CA ILE A 75 -1.732 10.884 11.865 1.00 0.00 C ATOM 747 C ILE A 75 -0.295 10.642 11.424 1.00 0.00 C ATOM 748 O ILE A 75 0.274 11.413 10.647 1.00 0.00 O ATOM 749 CB ILE A 75 -2.693 10.009 11.033 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.848 10.574 9.615 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.042 9.917 11.730 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.739 9.742 8.718 1.00 0.00 C ATOM 0 H ILE A 75 -2.159 12.634 10.814 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.831 10.599 12.912 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.274 9.006 10.949 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.254 11.583 9.679 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.862 10.656 9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.716 9.298 11.138 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.912 9.471 12.716 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.466 10.916 11.836 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.799 10.206 7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.324 8.739 8.622 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.737 9.681 9.152 1.00 0.00 H new ATOM 764 N ASN A 76 0.283 9.576 11.945 1.00 0.00 N ATOM 765 CA ASN A 76 1.654 9.205 11.642 1.00 0.00 C ATOM 766 C ASN A 76 1.699 8.188 10.516 1.00 0.00 C ATOM 767 O ASN A 76 1.226 7.064 10.666 1.00 0.00 O ATOM 768 CB ASN A 76 2.310 8.622 12.895 1.00 0.00 C ATOM 769 CG ASN A 76 3.678 8.025 12.628 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.421 8.489 11.766 1.00 0.00 O ATOM 771 ND2 ASN A 76 4.014 6.984 13.375 1.00 0.00 N ATOM 0 H ASN A 76 -0.185 8.941 12.592 1.00 0.00 H new ATOM 0 HA ASN A 76 2.197 10.094 11.322 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.403 9.405 13.647 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.660 7.853 13.314 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.921 6.535 13.246 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.366 6.631 14.079 1.00 0.00 H new ATOM 778 N ILE A 77 2.262 8.588 9.391 1.00 0.00 N ATOM 779 CA ILE A 77 2.416 7.686 8.264 1.00 0.00 C ATOM 780 C ILE A 77 3.887 7.405 8.021 1.00 0.00 C ATOM 781 O ILE A 77 4.631 8.247 7.515 1.00 0.00 O ATOM 782 CB ILE A 77 1.763 8.245 6.980 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.252 8.393 7.182 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.053 7.340 5.791 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.489 8.869 5.950 1.00 0.00 C ATOM 0 H ILE A 77 2.620 9.530 9.233 1.00 0.00 H new ATOM 0 HA ILE A 77 1.903 6.757 8.514 1.00 0.00 H new ATOM 0 HB ILE A 77 2.189 9.226 6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.159 7.432 7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.071 9.095 7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.584 7.752 4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.130 7.274 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.653 6.345 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.553 8.949 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.107 9.845 5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.341 8.157 5.138 1.00 0.00 H new ATOM 797 N THR A 78 4.300 6.222 8.417 1.00 0.00 N ATOM 798 CA THR A 78 5.663 5.781 8.222 1.00 0.00 C ATOM 799 C THR A 78 5.777 5.084 6.877 1.00 0.00 C ATOM 800 O THR A 78 5.024 4.157 6.596 1.00 0.00 O ATOM 801 CB THR A 78 6.089 4.819 9.349 1.00 0.00 C ATOM 802 OG1 THR A 78 5.723 5.370 10.619 1.00 0.00 O ATOM 803 CG2 THR A 78 7.588 4.569 9.323 1.00 0.00 C ATOM 0 H THR A 78 3.702 5.539 8.883 1.00 0.00 H new ATOM 0 HA THR A 78 6.323 6.648 8.244 1.00 0.00 H new ATOM 0 HB THR A 78 5.578 3.869 9.193 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.994 4.755 11.333 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.857 3.887 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.867 4.127 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.117 5.513 9.455 1.00 0.00 H new ATOM 811 N THR A 79 6.686 5.547 6.036 1.00 0.00 N ATOM 812 CA THR A 79 6.839 4.974 4.713 1.00 0.00 C ATOM 813 C THR A 79 8.217 4.350 4.540 1.00 0.00 C ATOM 814 O THR A 79 9.093 4.493 5.399 1.00 0.00 O ATOM 815 CB THR A 79 6.613 6.021 3.599 1.00 0.00 C ATOM 816 OG1 THR A 79 7.595 7.061 3.684 1.00 0.00 O ATOM 817 CG2 THR A 79 5.221 6.627 3.691 1.00 0.00 C ATOM 0 H THR A 79 7.325 6.314 6.245 1.00 0.00 H new ATOM 0 HA THR A 79 6.077 4.200 4.622 1.00 0.00 H new ATOM 0 HB THR A 79 6.708 5.511 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.724 7.313 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.090 7.360 2.895 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.474 5.840 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.100 7.116 4.658 1.00 0.00 H new ATOM 825 N ASP A 80 8.390 3.664 3.420 1.00 0.00 N ATOM 826 CA ASP A 80 9.659 3.041 3.054 1.00 0.00 C ATOM 827 C ASP A 80 10.795 4.064 3.021 1.00 0.00 C ATOM 828 O ASP A 80 11.938 3.746 3.352 1.00 0.00 O ATOM 829 CB ASP A 80 9.507 2.362 1.684 1.00 0.00 C ATOM 830 CG ASP A 80 10.829 2.000 1.034 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.337 0.887 1.278 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.346 2.816 0.247 1.00 0.00 O ATOM 0 H ASP A 80 7.650 3.521 2.733 1.00 0.00 H new ATOM 0 HA ASP A 80 9.915 2.297 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.910 1.458 1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.954 3.025 1.019 1.00 0.00 H new ATOM 837 N GLN A 81 10.475 5.297 2.650 1.00 0.00 N ATOM 838 CA GLN A 81 11.495 6.327 2.490 1.00 0.00 C ATOM 839 C GLN A 81 11.501 7.323 3.646 1.00 0.00 C ATOM 840 O GLN A 81 12.090 8.401 3.543 1.00 0.00 O ATOM 841 CB GLN A 81 11.298 7.061 1.166 1.00 0.00 C ATOM 842 CG GLN A 81 11.633 6.220 -0.056 1.00 0.00 C ATOM 843 CD GLN A 81 13.092 5.820 -0.104 1.00 0.00 C ATOM 844 OE1 GLN A 81 13.927 6.549 -0.637 1.00 0.00 O ATOM 845 NE2 GLN A 81 13.407 4.648 0.426 1.00 0.00 N ATOM 0 H GLN A 81 9.523 5.608 2.455 1.00 0.00 H new ATOM 0 HA GLN A 81 12.463 5.825 2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.262 7.392 1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.920 7.956 1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.014 5.323 -0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.384 6.780 -0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.684 4.073 0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.373 4.320 0.401 1.00 0.00 H new ATOM 854 N GLY A 82 10.870 6.964 4.751 1.00 0.00 N ATOM 855 CA GLY A 82 10.917 7.818 5.922 1.00 0.00 C ATOM 856 C GLY A 82 9.579 7.972 6.617 1.00 0.00 C ATOM 857 O GLY A 82 8.549 7.516 6.123 1.00 0.00 O ATOM 0 H GLY A 82 10.330 6.105 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.639 7.410 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.280 8.803 5.628 1.00 0.00 H new ATOM 861 N THR A 83 9.601 8.616 7.771 1.00 0.00 N ATOM 862 CA THR A 83 8.400 8.840 8.555 1.00 0.00 C ATOM 863 C THR A 83 7.871 10.254 8.321 1.00 0.00 C ATOM 864 O THR A 83 8.581 11.233 8.559 1.00 0.00 O ATOM 865 CB THR A 83 8.696 8.643 10.053 1.00 0.00 C ATOM 866 OG1 THR A 83 9.385 7.402 10.252 1.00 0.00 O ATOM 867 CG2 THR A 83 7.415 8.644 10.868 1.00 0.00 C ATOM 0 H THR A 83 10.449 8.997 8.190 1.00 0.00 H new ATOM 0 HA THR A 83 7.645 8.119 8.241 1.00 0.00 H new ATOM 0 HB THR A 83 9.320 9.472 10.387 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.573 7.282 11.206 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.654 8.503 11.922 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.901 9.596 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.769 7.833 10.531 1.00 0.00 H new ATOM 875 N PHE A 84 6.635 10.363 7.855 1.00 0.00 N ATOM 876 CA PHE A 84 6.062 11.662 7.539 1.00 0.00 C ATOM 877 C PHE A 84 4.880 11.976 8.445 1.00 0.00 C ATOM 878 O PHE A 84 4.271 11.081 9.032 1.00 0.00 O ATOM 879 CB PHE A 84 5.624 11.719 6.074 1.00 0.00 C ATOM 880 CG PHE A 84 6.764 11.593 5.101 1.00 0.00 C ATOM 881 CD1 PHE A 84 7.548 12.691 4.793 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.052 10.379 4.501 1.00 0.00 C ATOM 883 CE1 PHE A 84 8.598 12.582 3.901 1.00 0.00 C ATOM 884 CE2 PHE A 84 8.101 10.262 3.608 1.00 0.00 C ATOM 885 CZ PHE A 84 8.875 11.367 3.309 1.00 0.00 C ATOM 0 H PHE A 84 6.013 9.572 7.688 1.00 0.00 H new ATOM 0 HA PHE A 84 6.835 12.412 7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.907 10.920 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.106 12.661 5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.337 13.644 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.450 9.513 4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.201 13.447 3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.315 9.310 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 84 9.696 11.280 2.613 1.00 0.00 H new ATOM 895 N HIS A 85 4.568 13.257 8.555 1.00 0.00 N ATOM 896 CA HIS A 85 3.463 13.709 9.383 1.00 0.00 C ATOM 897 C HIS A 85 2.278 14.041 8.497 1.00 0.00 C ATOM 898 O HIS A 85 2.403 14.835 7.566 1.00 0.00 O ATOM 899 CB HIS A 85 3.854 14.953 10.183 1.00 0.00 C ATOM 900 CG HIS A 85 5.184 14.861 10.868 1.00 0.00 C ATOM 901 ND1 HIS A 85 6.304 15.526 10.418 1.00 0.00 N ATOM 902 CD2 HIS A 85 5.572 14.182 11.972 1.00 0.00 C ATOM 903 CE1 HIS A 85 7.321 15.264 11.216 1.00 0.00 C ATOM 904 NE2 HIS A 85 6.903 14.453 12.166 1.00 0.00 N ATOM 0 H HIS A 85 5.069 14.006 8.077 1.00 0.00 H new ATOM 0 HA HIS A 85 3.204 12.912 10.080 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.864 15.812 9.512 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.086 15.143 10.933 1.00 0.00 H new ATOM 0 HD2 HIS A 85 4.951 13.546 12.585 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.325 15.649 11.109 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.477 14.085 12.925 1.00 0.00 H new ATOM 913 N LEU A 86 1.139 13.446 8.778 1.00 0.00 N ATOM 914 CA LEU A 86 -0.033 13.645 7.950 1.00 0.00 C ATOM 915 C LEU A 86 -1.106 14.373 8.734 1.00 0.00 C ATOM 916 O LEU A 86 -1.358 14.066 9.892 1.00 0.00 O ATOM 917 CB LEU A 86 -0.559 12.293 7.468 1.00 0.00 C ATOM 918 CG LEU A 86 -1.227 12.264 6.090 1.00 0.00 C ATOM 919 CD1 LEU A 86 -2.552 13.001 6.096 1.00 0.00 C ATOM 920 CD2 LEU A 86 -0.299 12.853 5.048 1.00 0.00 C ATOM 0 H LEU A 86 0.998 12.821 9.572 1.00 0.00 H new ATOM 0 HA LEU A 86 0.239 14.250 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.273 11.589 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.277 11.927 8.202 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.431 11.223 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.996 12.959 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.225 12.533 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.388 14.041 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.784 12.827 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.066 13.885 5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.622 12.271 5.011 1.00 0.00 H new ATOM 932 N LYS A 87 -1.730 15.332 8.092 1.00 0.00 N ATOM 933 CA LYS A 87 -2.831 16.061 8.695 1.00 0.00 C ATOM 934 C LYS A 87 -4.025 16.021 7.759 1.00 0.00 C ATOM 935 O LYS A 87 -3.968 16.541 6.641 1.00 0.00 O ATOM 936 CB LYS A 87 -2.431 17.506 9.017 1.00 0.00 C ATOM 937 CG LYS A 87 -3.479 18.254 9.828 1.00 0.00 C ATOM 938 CD LYS A 87 -2.920 19.538 10.422 1.00 0.00 C ATOM 939 CE LYS A 87 -3.940 20.218 11.324 1.00 0.00 C ATOM 940 NZ LYS A 87 -3.346 21.342 12.097 1.00 0.00 N ATOM 0 H LYS A 87 -1.495 15.630 7.145 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.098 15.586 9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.491 17.501 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.252 18.042 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.332 18.489 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.846 17.612 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.018 19.315 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.631 20.217 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.766 20.592 10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.358 19.485 12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.077 21.775 12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.575 20.983 12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.970 22.055 11.440 1.00 0.00 H new ATOM 954 N THR A 88 -5.092 15.382 8.214 1.00 0.00 N ATOM 955 CA THR A 88 -6.254 15.136 7.380 1.00 0.00 C ATOM 956 C THR A 88 -7.007 16.424 7.063 1.00 0.00 C ATOM 957 O THR A 88 -7.119 17.322 7.901 1.00 0.00 O ATOM 958 CB THR A 88 -7.198 14.116 8.043 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.619 14.577 9.335 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.500 12.773 8.189 1.00 0.00 C ATOM 0 H THR A 88 -5.175 15.022 9.165 1.00 0.00 H new ATOM 0 HA THR A 88 -5.893 14.721 6.439 1.00 0.00 H new ATOM 0 HB THR A 88 -8.075 14.003 7.406 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.298 13.968 9.694 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.177 12.060 8.659 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.211 12.404 7.205 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.611 12.891 8.808 1.00 0.00 H new ATOM 968 N GLY A 89 -7.512 16.508 5.840 1.00 0.00 N ATOM 969 CA GLY A 89 -8.204 17.694 5.398 1.00 0.00 C ATOM 970 C GLY A 89 -9.635 17.755 5.889 1.00 0.00 C ATOM 971 O GLY A 89 -10.032 17.011 6.790 1.00 0.00 O ATOM 0 H GLY A 89 -7.452 15.766 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.666 18.575 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.197 17.729 4.309 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.822 12.846 7.695 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.399 12.795 7.370 1.00 0.00 C ATOM 1103 C ALA A 98 -10.202 12.825 5.859 1.00 0.00 C ATOM 1104 O ALA A 98 -10.117 11.791 5.200 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.734 11.572 7.991 1.00 0.00 C ATOM 0 HA ALA A 98 -9.918 13.675 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.675 11.562 7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.841 11.611 9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.209 10.667 7.611 1.00 0.00 H new ATOM 1111 N TYR A 99 -10.146 14.026 5.314 1.00 0.00 N ATOM 1112 CA TYR A 99 -10.122 14.205 3.873 1.00 0.00 C ATOM 1113 C TYR A 99 -8.707 14.010 3.339 1.00 0.00 C ATOM 1114 O TYR A 99 -7.785 14.717 3.739 1.00 0.00 O ATOM 1115 CB TYR A 99 -10.643 15.601 3.526 1.00 0.00 C ATOM 1116 CG TYR A 99 -11.060 15.788 2.083 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -12.330 15.417 1.659 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -10.195 16.351 1.151 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -12.728 15.601 0.350 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -10.588 16.544 -0.162 1.00 0.00 C ATOM 1121 CZ TYR A 99 -11.856 16.164 -0.557 1.00 0.00 C ATOM 1122 OH TYR A 99 -12.258 16.357 -1.859 1.00 0.00 O ATOM 0 H TYR A 99 -10.116 14.894 5.848 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.765 13.460 3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -11.496 15.824 4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.868 16.331 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.018 14.977 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.201 16.642 1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -13.719 15.305 0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -9.908 16.989 -0.873 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.528 16.764 -2.370 1.00 0.00 H new ATOM 1132 N MET A 100 -8.541 13.037 2.454 1.00 0.00 N ATOM 1133 CA MET A 100 -7.235 12.745 1.873 1.00 0.00 C ATOM 1134 C MET A 100 -7.105 13.386 0.498 1.00 0.00 C ATOM 1135 O MET A 100 -8.102 13.575 -0.202 1.00 0.00 O ATOM 1136 CB MET A 100 -7.023 11.232 1.759 1.00 0.00 C ATOM 1137 CG MET A 100 -7.012 10.506 3.097 1.00 0.00 C ATOM 1138 SD MET A 100 -5.681 11.057 4.181 1.00 0.00 S ATOM 1139 CE MET A 100 -5.951 9.999 5.600 1.00 0.00 C ATOM 0 H MET A 100 -9.294 12.435 2.121 1.00 0.00 H new ATOM 0 HA MET A 100 -6.472 13.161 2.531 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.811 10.811 1.135 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.078 11.045 1.248 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.968 10.660 3.597 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.912 9.435 2.923 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.544 10.476 6.492 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.020 9.834 5.733 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.453 9.042 5.441 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.878 13.714 0.112 1.00 0.00 N ATOM 1150 CA GLY A 101 -5.655 14.333 -1.180 1.00 0.00 C ATOM 1151 C GLY A 101 -4.661 13.565 -2.029 1.00 0.00 C ATOM 1152 O GLY A 101 -3.990 14.140 -2.882 1.00 0.00 O ATOM 0 H GLY A 101 -5.037 13.563 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.603 14.405 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.293 15.351 -1.034 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.560 12.267 -1.790 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.645 11.419 -2.544 1.00 0.00 C ATOM 1158 C ILE A 102 -4.323 10.117 -2.933 1.00 0.00 C ATOM 1159 O ILE A 102 -5.353 9.744 -2.372 1.00 0.00 O ATOM 1160 CB ILE A 102 -2.356 11.089 -1.752 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.687 10.265 -0.504 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.620 12.367 -1.371 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.470 9.731 0.218 1.00 0.00 C ATOM 0 H ILE A 102 -5.101 11.775 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.366 11.982 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.703 10.495 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.264 10.882 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.323 9.428 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.717 12.115 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.349 12.914 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.266 12.988 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.786 9.159 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.903 9.086 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.843 10.563 0.538 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.740 9.442 -3.901 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.216 8.139 -4.331 1.00 0.00 C ATOM 1177 C ARG A 103 -3.320 7.057 -3.751 1.00 0.00 C ATOM 1178 O ARG A 103 -2.118 7.272 -3.590 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.220 8.067 -5.859 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.228 8.998 -6.515 1.00 0.00 C ATOM 1181 CD ARG A 103 -6.644 8.473 -6.367 1.00 0.00 C ATOM 1182 NE ARG A 103 -7.631 9.370 -6.967 1.00 0.00 N ATOM 1183 CZ ARG A 103 -7.999 9.339 -8.247 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -7.409 8.504 -9.093 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -8.945 10.163 -8.678 1.00 0.00 N ATOM 0 H ARG A 103 -2.924 9.778 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.234 7.985 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.223 8.309 -6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.433 7.043 -6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.157 9.989 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.988 9.109 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.716 7.491 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.872 8.340 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.068 10.067 -6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.670 7.882 -8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.694 8.484 -10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -9.387 10.816 -8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.231 10.144 -9.657 1.00 0.00 H new ATOM 1199 N THR A 104 -3.891 5.905 -3.432 1.00 0.00 N ATOM 1200 CA THR A 104 -3.124 4.810 -2.863 1.00 0.00 C ATOM 1201 C THR A 104 -3.410 3.491 -3.579 1.00 0.00 C ATOM 1202 O THR A 104 -4.467 3.310 -4.187 1.00 0.00 O ATOM 1203 CB THR A 104 -3.417 4.649 -1.357 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.830 4.691 -1.124 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.728 5.736 -0.545 1.00 0.00 C ATOM 0 H THR A 104 -4.883 5.705 -3.558 1.00 0.00 H new ATOM 0 HA THR A 104 -2.071 5.059 -2.998 1.00 0.00 H new ATOM 0 HB THR A 104 -3.026 3.683 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.001 4.763 -0.162 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.952 5.597 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.650 5.677 -0.698 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.087 6.713 -0.867 1.00 0.00 H new ATOM 1213 N SER A 105 -2.448 2.585 -3.527 1.00 0.00 N ATOM 1214 CA SER A 105 -2.610 1.253 -4.077 1.00 0.00 C ATOM 1215 C SER A 105 -2.364 0.213 -2.987 1.00 0.00 C ATOM 1216 O SER A 105 -1.920 0.553 -1.896 1.00 0.00 O ATOM 1217 CB SER A 105 -1.655 1.050 -5.256 1.00 0.00 C ATOM 1218 OG SER A 105 -0.337 1.444 -4.919 1.00 0.00 O ATOM 0 H SER A 105 -1.536 2.753 -3.103 1.00 0.00 H new ATOM 0 HA SER A 105 -3.629 1.134 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.659 0.002 -5.555 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.002 1.627 -6.113 1.00 0.00 H new ATOM 0 HG SER A 105 0.253 1.303 -5.688 1.00 0.00 H new ATOM 1224 N ASN A 106 -2.649 -1.043 -3.280 1.00 0.00 N ATOM 1225 CA ASN A 106 -2.534 -2.103 -2.283 1.00 0.00 C ATOM 1226 C ASN A 106 -1.358 -3.025 -2.571 1.00 0.00 C ATOM 1227 O ASN A 106 -1.170 -4.030 -1.882 1.00 0.00 O ATOM 1228 CB ASN A 106 -3.831 -2.909 -2.211 1.00 0.00 C ATOM 1229 CG ASN A 106 -4.263 -3.490 -3.548 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.904 -2.985 -4.614 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -5.073 -4.534 -3.500 1.00 0.00 N ATOM 0 H ASN A 106 -2.962 -1.358 -4.198 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.354 -1.628 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.705 -3.721 -1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.626 -2.269 -1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.422 -4.949 -4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.348 -4.925 -2.599 1.00 0.00 H new