USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 684 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 27 HIS : no HD1:sc= -0.242 X(o=-0.96,f=-0.73) USER MOD Set 1.2: A 57 TYR OH : rot 144:sc= -0.715 USER MOD Set 2.1: A 48 THR OG1 : rot 128:sc= 0.272 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0817 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -3.36 K(o=-3.4,f=-5.4!) USER MOD Single : A 15 SER OG : rot -28:sc= 0.192 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0234) USER MOD Single : A 24 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.27) USER MOD Single : A 26 MET CE :methyl -146:sc= 0 (180deg=-0.00141) USER MOD Single : A 28 CYS SG : rot 180:sc= -1.71! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.53! C(o=-1.5!,f=-0.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.751 K(o=-0.75,f=0.88) USER MOD Single : A 37 GLN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.69) USER MOD Single : A 46 MET CE :methyl -131:sc= -0.525 (180deg=-2.23) USER MOD Single : A 66 ASN : amide:sc= -6.01! C(o=-6!,f=-10!) USER MOD Single : A 69 CYS SG : rot 67:sc=0.000721 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.98 K(o=-3,f=-8.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 162:sc= -0.346 (180deg=-0.862) USER MOD Single : A 84 SER OG : rot 48:sc= 0.56 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.160 -0.949 -15.835 1.00 0.00 N ATOM 2 CA GLY A 1 -20.689 -0.755 -17.193 1.00 0.00 C ATOM 3 C GLY A 1 -19.246 -1.184 -17.374 1.00 0.00 C ATOM 4 O GLY A 1 -18.617 -1.679 -16.440 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.074 -1.445 -15.852 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.468 -1.516 -15.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.277 -0.025 -15.373 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.321 -1.320 -17.878 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.788 0.297 -17.462 1.00 0.00 H new ATOM 8 N SER A 2 -18.722 -0.995 -18.581 1.00 0.00 N ATOM 9 CA SER A 2 -17.345 -1.371 -18.883 1.00 0.00 C ATOM 10 C SER A 2 -16.383 -0.782 -17.856 1.00 0.00 C ATOM 11 O SER A 2 -16.664 0.251 -17.248 1.00 0.00 O ATOM 12 CB SER A 2 -16.962 -0.900 -20.287 1.00 0.00 C ATOM 13 OG SER A 2 -17.657 -1.636 -21.279 1.00 0.00 O ATOM 0 H SER A 2 -19.229 -0.584 -19.365 1.00 0.00 H new ATOM 0 HA SER A 2 -17.273 -2.458 -18.840 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.188 0.161 -20.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.888 -1.013 -20.432 1.00 0.00 H new ATOM 0 HG SER A 2 -17.396 -1.315 -22.167 1.00 0.00 H new ATOM 19 N SER A 3 -15.247 -1.446 -17.670 1.00 0.00 N ATOM 20 CA SER A 3 -14.244 -0.991 -16.714 1.00 0.00 C ATOM 21 C SER A 3 -13.403 0.137 -17.305 1.00 0.00 C ATOM 22 O SER A 3 -13.271 0.256 -18.522 1.00 0.00 O ATOM 23 CB SER A 3 -13.339 -2.153 -16.300 1.00 0.00 C ATOM 24 OG SER A 3 -12.583 -2.628 -17.400 1.00 0.00 O ATOM 0 H SER A 3 -14.998 -2.300 -18.168 1.00 0.00 H new ATOM 0 HA SER A 3 -14.763 -0.612 -15.833 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.667 -1.829 -15.506 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.945 -2.963 -15.894 1.00 0.00 H new ATOM 0 HG SER A 3 -12.012 -3.369 -17.109 1.00 0.00 H new ATOM 30 N GLY A 4 -12.836 0.964 -16.432 1.00 0.00 N ATOM 31 CA GLY A 4 -12.015 2.072 -16.884 1.00 0.00 C ATOM 32 C GLY A 4 -11.832 3.132 -15.817 1.00 0.00 C ATOM 33 O GLY A 4 -10.722 3.350 -15.332 1.00 0.00 O ATOM 0 H GLY A 4 -12.931 0.886 -15.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.039 1.696 -17.189 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.472 2.523 -17.765 1.00 0.00 H new ATOM 37 N SER A 5 -12.924 3.795 -15.450 1.00 0.00 N ATOM 38 CA SER A 5 -12.879 4.842 -14.436 1.00 0.00 C ATOM 39 C SER A 5 -12.349 4.296 -13.114 1.00 0.00 C ATOM 40 O SER A 5 -12.577 3.135 -12.774 1.00 0.00 O ATOM 41 CB SER A 5 -14.270 5.445 -14.232 1.00 0.00 C ATOM 42 OG SER A 5 -15.190 4.464 -13.786 1.00 0.00 O ATOM 0 H SER A 5 -13.851 3.626 -15.840 1.00 0.00 H new ATOM 0 HA SER A 5 -12.201 5.621 -14.784 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.216 6.255 -13.504 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.622 5.880 -15.167 1.00 0.00 H new ATOM 0 HG SER A 5 -16.071 4.874 -13.661 1.00 0.00 H new ATOM 48 N SER A 6 -11.641 5.142 -12.372 1.00 0.00 N ATOM 49 CA SER A 6 -11.076 4.744 -11.089 1.00 0.00 C ATOM 50 C SER A 6 -10.539 3.317 -11.150 1.00 0.00 C ATOM 51 O SER A 6 -10.866 2.482 -10.308 1.00 0.00 O ATOM 52 CB SER A 6 -12.130 4.858 -9.986 1.00 0.00 C ATOM 53 OG SER A 6 -12.482 6.211 -9.754 1.00 0.00 O ATOM 0 H SER A 6 -11.445 6.107 -12.638 1.00 0.00 H new ATOM 0 HA SER A 6 -10.248 5.415 -10.861 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.018 4.291 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.747 4.416 -9.066 1.00 0.00 H new ATOM 0 HG SER A 6 -13.158 6.256 -9.046 1.00 0.00 H new ATOM 59 N GLY A 7 -9.712 3.045 -12.155 1.00 0.00 N ATOM 60 CA GLY A 7 -9.143 1.719 -12.309 1.00 0.00 C ATOM 61 C GLY A 7 -8.405 1.257 -11.068 1.00 0.00 C ATOM 62 O GLY A 7 -8.579 0.124 -10.621 1.00 0.00 O ATOM 0 H GLY A 7 -9.426 3.719 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.938 1.010 -12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.458 1.717 -13.157 1.00 0.00 H new ATOM 66 N MET A 8 -7.579 2.136 -10.511 1.00 0.00 N ATOM 67 CA MET A 8 -6.812 1.811 -9.314 1.00 0.00 C ATOM 68 C MET A 8 -7.735 1.396 -8.173 1.00 0.00 C ATOM 69 O MET A 8 -7.843 0.213 -7.848 1.00 0.00 O ATOM 70 CB MET A 8 -5.960 3.007 -8.887 1.00 0.00 C ATOM 71 CG MET A 8 -4.552 2.986 -9.459 1.00 0.00 C ATOM 72 SD MET A 8 -3.845 4.637 -9.625 1.00 0.00 S ATOM 73 CE MET A 8 -2.469 4.531 -8.483 1.00 0.00 C ATOM 0 H MET A 8 -7.424 3.078 -10.869 1.00 0.00 H new ATOM 0 HA MET A 8 -6.156 0.973 -9.550 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.456 3.926 -9.199 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.901 3.030 -7.799 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.911 2.384 -8.815 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.568 2.502 -10.435 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.931 5.479 -8.473 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.843 4.315 -7.482 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.795 3.734 -8.798 1.00 0.00 H new ATOM 83 N ILE A 9 -8.398 2.376 -7.568 1.00 0.00 N ATOM 84 CA ILE A 9 -9.312 2.111 -6.464 1.00 0.00 C ATOM 85 C ILE A 9 -10.188 0.897 -6.754 1.00 0.00 C ATOM 86 O ILE A 9 -10.325 0.004 -5.918 1.00 0.00 O ATOM 87 CB ILE A 9 -10.217 3.325 -6.179 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.368 4.549 -5.826 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.191 3.007 -5.054 1.00 0.00 C ATOM 90 CD1 ILE A 9 -8.971 5.376 -7.029 1.00 0.00 C ATOM 0 H ILE A 9 -8.319 3.360 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.697 1.911 -5.587 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.791 3.551 -7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.923 5.178 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.467 4.219 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.823 3.874 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.814 2.159 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.635 2.759 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.371 6.226 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.388 4.762 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.867 5.736 -7.535 1.00 0.00 H new ATOM 102 N ALA A 10 -10.776 0.869 -7.945 1.00 0.00 N ATOM 103 CA ALA A 10 -11.635 -0.238 -8.347 1.00 0.00 C ATOM 104 C ALA A 10 -10.900 -1.570 -8.240 1.00 0.00 C ATOM 105 O ALA A 10 -11.279 -2.436 -7.453 1.00 0.00 O ATOM 106 CB ALA A 10 -12.141 -0.024 -9.767 1.00 0.00 C ATOM 0 H ALA A 10 -10.673 1.600 -8.649 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.488 -0.269 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.781 -0.858 -10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.711 0.904 -9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.294 0.035 -10.450 1.00 0.00 H new ATOM 112 N ALA A 11 -9.848 -1.725 -9.037 1.00 0.00 N ATOM 113 CA ALA A 11 -9.060 -2.951 -9.031 1.00 0.00 C ATOM 114 C ALA A 11 -8.766 -3.408 -7.606 1.00 0.00 C ATOM 115 O ALA A 11 -9.112 -4.523 -7.217 1.00 0.00 O ATOM 116 CB ALA A 11 -7.763 -2.749 -9.800 1.00 0.00 C ATOM 0 H ALA A 11 -9.522 -1.017 -9.695 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.643 -3.730 -9.522 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.185 -3.673 -9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.990 -2.477 -10.831 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.184 -1.952 -9.334 1.00 0.00 H new ATOM 122 N TYR A 12 -8.126 -2.538 -6.832 1.00 0.00 N ATOM 123 CA TYR A 12 -7.782 -2.854 -5.450 1.00 0.00 C ATOM 124 C TYR A 12 -9.025 -3.242 -4.655 1.00 0.00 C ATOM 125 O TYR A 12 -9.006 -4.199 -3.882 1.00 0.00 O ATOM 126 CB TYR A 12 -7.093 -1.659 -4.789 1.00 0.00 C ATOM 127 CG TYR A 12 -5.814 -1.240 -5.479 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.801 -2.159 -5.726 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.619 0.075 -5.884 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.631 -1.780 -6.355 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.453 0.462 -6.515 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.462 -0.468 -6.748 1.00 0.00 C ATOM 133 OH TYR A 12 -2.299 -0.087 -7.376 1.00 0.00 O ATOM 0 H TYR A 12 -7.835 -1.609 -7.138 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.097 -3.702 -5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.782 -0.815 -4.776 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.872 -1.906 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.931 -3.187 -5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.392 0.807 -5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.853 -2.506 -6.538 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.318 1.488 -6.824 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.340 0.869 -7.588 1.00 0.00 H new ATOM 143 N GLU A 13 -10.104 -2.491 -4.852 1.00 0.00 N ATOM 144 CA GLU A 13 -11.357 -2.756 -4.154 1.00 0.00 C ATOM 145 C GLU A 13 -11.787 -4.209 -4.340 1.00 0.00 C ATOM 146 O GLU A 13 -11.886 -4.966 -3.376 1.00 0.00 O ATOM 147 CB GLU A 13 -12.456 -1.819 -4.658 1.00 0.00 C ATOM 148 CG GLU A 13 -13.690 -1.797 -3.772 1.00 0.00 C ATOM 149 CD GLU A 13 -14.488 -3.084 -3.851 1.00 0.00 C ATOM 150 OE1 GLU A 13 -15.078 -3.351 -4.919 1.00 0.00 O ATOM 151 OE2 GLU A 13 -14.523 -3.823 -2.845 1.00 0.00 O ATOM 0 H GLU A 13 -10.136 -1.695 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.196 -2.576 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.054 -0.808 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.747 -2.121 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.388 -1.624 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.326 -0.961 -4.062 1.00 0.00 H new ATOM 158 N ASN A 14 -12.041 -4.589 -5.588 1.00 0.00 N ATOM 159 CA ASN A 14 -12.462 -5.950 -5.901 1.00 0.00 C ATOM 160 C ASN A 14 -11.395 -6.958 -5.486 1.00 0.00 C ATOM 161 O ASN A 14 -11.705 -8.012 -4.930 1.00 0.00 O ATOM 162 CB ASN A 14 -12.751 -6.084 -7.398 1.00 0.00 C ATOM 163 CG ASN A 14 -11.501 -6.374 -8.205 1.00 0.00 C ATOM 164 OD1 ASN A 14 -10.831 -5.459 -8.684 1.00 0.00 O ATOM 165 ND2 ASN A 14 -11.181 -7.654 -8.359 1.00 0.00 N ATOM 0 H ASN A 14 -11.963 -3.974 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.373 -6.161 -5.341 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.475 -6.883 -7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -13.209 -5.164 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -10.350 -7.911 -8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.766 -8.379 -7.944 1.00 0.00 H new ATOM 172 N SER A 15 -10.137 -6.627 -5.759 1.00 0.00 N ATOM 173 CA SER A 15 -9.024 -7.505 -5.417 1.00 0.00 C ATOM 174 C SER A 15 -9.072 -7.892 -3.942 1.00 0.00 C ATOM 175 O SER A 15 -9.416 -7.079 -3.084 1.00 0.00 O ATOM 176 CB SER A 15 -7.692 -6.821 -5.733 1.00 0.00 C ATOM 177 OG SER A 15 -7.382 -5.835 -4.764 1.00 0.00 O ATOM 0 H SER A 15 -9.863 -5.757 -6.216 1.00 0.00 H new ATOM 0 HA SER A 15 -9.110 -8.411 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.896 -7.565 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.741 -6.362 -6.721 1.00 0.00 H new ATOM 0 HG SER A 15 -8.212 -5.477 -4.384 1.00 0.00 H new ATOM 183 N LYS A 16 -8.723 -9.142 -3.654 1.00 0.00 N ATOM 184 CA LYS A 16 -8.724 -9.640 -2.284 1.00 0.00 C ATOM 185 C LYS A 16 -7.311 -9.654 -1.709 1.00 0.00 C ATOM 186 O LYS A 16 -6.329 -9.653 -2.451 1.00 0.00 O ATOM 187 CB LYS A 16 -9.321 -11.049 -2.232 1.00 0.00 C ATOM 188 CG LYS A 16 -8.521 -12.077 -3.013 1.00 0.00 C ATOM 189 CD LYS A 16 -8.847 -13.493 -2.567 1.00 0.00 C ATOM 190 CE LYS A 16 -10.141 -13.990 -3.192 1.00 0.00 C ATOM 191 NZ LYS A 16 -9.936 -14.460 -4.591 1.00 0.00 N ATOM 0 H LYS A 16 -8.436 -9.828 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.336 -8.970 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.389 -11.368 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.338 -11.018 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.732 -11.972 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.456 -11.889 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.029 -14.159 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.931 -13.523 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.546 -14.804 -2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.880 -13.189 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.841 -14.791 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.574 -13.676 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.250 -15.241 -4.598 1.00 0.00 H new ATOM 205 N TRP A 17 -7.217 -9.668 -0.384 1.00 0.00 N ATOM 206 CA TRP A 17 -5.924 -9.683 0.290 1.00 0.00 C ATOM 207 C TRP A 17 -5.152 -10.956 -0.042 1.00 0.00 C ATOM 208 O TRP A 17 -5.741 -11.965 -0.429 1.00 0.00 O ATOM 209 CB TRP A 17 -6.112 -9.566 1.803 1.00 0.00 C ATOM 210 CG TRP A 17 -4.820 -9.537 2.562 1.00 0.00 C ATOM 211 CD1 TRP A 17 -4.094 -8.431 2.903 1.00 0.00 C ATOM 212 CD2 TRP A 17 -4.101 -10.665 3.073 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.967 -8.804 3.595 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.949 -10.168 3.713 1.00 0.00 C ATOM 215 CE3 TRP A 17 -4.320 -12.045 3.054 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -2.019 -11.005 4.326 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -3.397 -12.874 3.662 1.00 0.00 C ATOM 218 CH2 TRP A 17 -2.258 -12.352 4.292 1.00 0.00 C ATOM 0 H TRP A 17 -8.020 -9.669 0.244 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.348 -8.828 -0.064 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.675 -8.659 2.023 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.712 -10.406 2.153 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.366 -7.413 2.664 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.259 -8.168 3.961 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.195 -12.456 2.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.141 -10.605 4.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.555 -13.942 3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.556 -13.026 4.759 1.00 0.00 H new ATOM 229 N GLU A 18 -3.833 -10.901 0.114 1.00 0.00 N ATOM 230 CA GLU A 18 -2.983 -12.051 -0.171 1.00 0.00 C ATOM 231 C GLU A 18 -1.665 -11.955 0.593 1.00 0.00 C ATOM 232 O GLU A 18 -1.070 -10.885 0.722 1.00 0.00 O ATOM 233 CB GLU A 18 -2.708 -12.152 -1.672 1.00 0.00 C ATOM 234 CG GLU A 18 -1.355 -12.758 -2.004 1.00 0.00 C ATOM 235 CD GLU A 18 -1.063 -12.753 -3.492 1.00 0.00 C ATOM 236 OE1 GLU A 18 -1.918 -13.232 -4.267 1.00 0.00 O ATOM 237 OE2 GLU A 18 0.021 -12.271 -3.882 1.00 0.00 O ATOM 0 H GLU A 18 -3.331 -10.074 0.436 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.509 -12.948 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.490 -12.753 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.768 -11.156 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.575 -12.203 -1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.319 -13.783 -1.634 1.00 0.00 H new ATOM 244 N PRO A 19 -1.198 -13.100 1.112 1.00 0.00 N ATOM 245 CA PRO A 19 0.053 -13.172 1.872 1.00 0.00 C ATOM 246 C PRO A 19 1.280 -12.957 0.992 1.00 0.00 C ATOM 247 O PRO A 19 1.789 -13.896 0.379 1.00 0.00 O ATOM 248 CB PRO A 19 0.044 -14.595 2.437 1.00 0.00 C ATOM 249 CG PRO A 19 -0.809 -15.371 1.494 1.00 0.00 C ATOM 250 CD PRO A 19 -1.855 -14.413 0.997 1.00 0.00 C ATOM 0 HA PRO A 19 0.111 -12.396 2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.052 -15.007 2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.362 -14.617 3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.218 -15.766 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.267 -16.224 1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.142 -14.630 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.763 -14.462 1.598 1.00 0.00 H new ATOM 258 N VAL A 20 1.750 -11.715 0.933 1.00 0.00 N ATOM 259 CA VAL A 20 2.917 -11.377 0.128 1.00 0.00 C ATOM 260 C VAL A 20 3.945 -10.606 0.948 1.00 0.00 C ATOM 261 O VAL A 20 3.676 -9.502 1.423 1.00 0.00 O ATOM 262 CB VAL A 20 2.527 -10.540 -1.104 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.674 -9.349 -0.692 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.769 -10.083 -1.853 1.00 0.00 C ATOM 0 H VAL A 20 1.340 -10.926 1.433 1.00 0.00 H new ATOM 0 HA VAL A 20 3.354 -12.318 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 20 1.937 -11.165 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.408 -8.769 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.766 -9.703 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.236 -8.720 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.474 -9.493 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.388 -9.475 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.336 -10.954 -2.182 1.00 0.00 H new ATOM 274 N LYS A 21 5.126 -11.194 1.111 1.00 0.00 N ATOM 275 CA LYS A 21 6.197 -10.562 1.872 1.00 0.00 C ATOM 276 C LYS A 21 6.727 -9.330 1.146 1.00 0.00 C ATOM 277 O LYS A 21 7.258 -9.431 0.040 1.00 0.00 O ATOM 278 CB LYS A 21 7.336 -11.556 2.110 1.00 0.00 C ATOM 279 CG LYS A 21 8.416 -11.033 3.041 1.00 0.00 C ATOM 280 CD LYS A 21 7.982 -11.107 4.495 1.00 0.00 C ATOM 281 CE LYS A 21 8.334 -12.451 5.114 1.00 0.00 C ATOM 282 NZ LYS A 21 9.785 -12.551 5.436 1.00 0.00 N ATOM 0 H LYS A 21 5.365 -12.108 0.726 1.00 0.00 H new ATOM 0 HA LYS A 21 5.790 -10.248 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.924 -12.475 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.788 -11.814 1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.329 -11.613 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.652 -10.001 2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.462 -10.308 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.906 -10.944 4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.750 -12.597 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.059 -13.251 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.964 -13.430 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.337 -12.557 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.069 -11.736 6.017 1.00 0.00 H new ATOM 296 N TRP A 22 6.581 -8.170 1.775 1.00 0.00 N ATOM 297 CA TRP A 22 7.047 -6.918 1.188 1.00 0.00 C ATOM 298 C TRP A 22 8.547 -6.745 1.397 1.00 0.00 C ATOM 299 O TRP A 22 9.022 -6.689 2.531 1.00 0.00 O ATOM 300 CB TRP A 22 6.294 -5.734 1.798 1.00 0.00 C ATOM 301 CG TRP A 22 4.809 -5.814 1.610 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.877 -6.108 2.563 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.087 -5.599 0.392 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.618 -6.089 2.012 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.720 -5.778 0.682 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.461 -5.271 -0.913 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.730 -5.641 -0.287 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.477 -5.135 -1.874 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.125 -5.319 -1.557 1.00 0.00 C ATOM 0 H TRP A 22 6.144 -8.069 2.691 1.00 0.00 H new ATOM 0 HA TRP A 22 6.850 -6.951 0.116 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.516 -5.682 2.864 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.660 -4.810 1.351 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.097 -6.324 3.598 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.749 -6.276 2.512 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.501 -5.126 -1.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.687 -5.784 -0.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.755 -4.883 -2.887 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.380 -5.204 -2.330 1.00 0.00 H new ATOM 320 N GLU A 23 9.288 -6.659 0.297 1.00 0.00 N ATOM 321 CA GLU A 23 10.735 -6.493 0.362 1.00 0.00 C ATOM 322 C GLU A 23 11.117 -5.019 0.264 1.00 0.00 C ATOM 323 O GLU A 23 10.367 -4.206 -0.273 1.00 0.00 O ATOM 324 CB GLU A 23 11.413 -7.282 -0.761 1.00 0.00 C ATOM 325 CG GLU A 23 11.095 -8.767 -0.737 1.00 0.00 C ATOM 326 CD GLU A 23 12.193 -9.608 -1.359 1.00 0.00 C ATOM 327 OE1 GLU A 23 12.198 -9.754 -2.599 1.00 0.00 O ATOM 328 OE2 GLU A 23 13.047 -10.121 -0.606 1.00 0.00 O ATOM 0 H GLU A 23 8.910 -6.702 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 23 11.076 -6.877 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.106 -6.868 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.492 -7.149 -0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.939 -9.085 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.161 -8.944 -1.270 1.00 0.00 H new ATOM 335 N ASN A 24 12.291 -4.682 0.790 1.00 0.00 N ATOM 336 CA ASN A 24 12.774 -3.306 0.764 1.00 0.00 C ATOM 337 C ASN A 24 12.921 -2.808 -0.671 1.00 0.00 C ATOM 338 O ASN A 24 13.332 -3.555 -1.559 1.00 0.00 O ATOM 339 CB ASN A 24 14.115 -3.200 1.492 1.00 0.00 C ATOM 340 CG ASN A 24 14.152 -4.032 2.760 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.760 -5.101 2.796 1.00 0.00 O ATOM 342 ND2 ASN A 24 13.498 -3.542 3.807 1.00 0.00 N ATOM 0 H ASN A 24 12.925 -5.343 1.239 1.00 0.00 H new ATOM 0 HA ASN A 24 12.041 -2.681 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.914 -3.524 0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.309 -2.156 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.486 -4.057 4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.008 -2.651 3.731 1.00 0.00 H new ATOM 349 N ASP A 25 12.583 -1.542 -0.890 1.00 0.00 N ATOM 350 CA ASP A 25 12.679 -0.943 -2.216 1.00 0.00 C ATOM 351 C ASP A 25 11.622 -1.522 -3.151 1.00 0.00 C ATOM 352 O ASP A 25 11.931 -1.953 -4.261 1.00 0.00 O ATOM 353 CB ASP A 25 14.074 -1.168 -2.801 1.00 0.00 C ATOM 354 CG ASP A 25 14.365 -0.252 -3.973 1.00 0.00 C ATOM 355 OD1 ASP A 25 14.059 -0.640 -5.119 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.900 0.853 -3.744 1.00 0.00 O ATOM 0 H ASP A 25 12.240 -0.911 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 25 12.504 0.128 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.821 -1.007 -2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.167 -2.205 -3.123 1.00 0.00 H new ATOM 361 N MET A 26 10.374 -1.529 -2.693 1.00 0.00 N ATOM 362 CA MET A 26 9.272 -2.055 -3.490 1.00 0.00 C ATOM 363 C MET A 26 8.124 -1.053 -3.560 1.00 0.00 C ATOM 364 O MET A 26 8.111 -0.058 -2.833 1.00 0.00 O ATOM 365 CB MET A 26 8.774 -3.377 -2.901 1.00 0.00 C ATOM 366 CG MET A 26 9.542 -4.591 -3.399 1.00 0.00 C ATOM 367 SD MET A 26 8.709 -6.144 -3.016 1.00 0.00 S ATOM 368 CE MET A 26 7.498 -6.212 -4.335 1.00 0.00 C ATOM 0 H MET A 26 10.101 -1.177 -1.775 1.00 0.00 H new ATOM 0 HA MET A 26 9.640 -2.231 -4.501 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.847 -3.332 -1.814 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.719 -3.500 -3.145 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.678 -4.513 -4.478 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.536 -4.596 -2.952 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.586 -6.684 -3.968 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.272 -5.201 -4.674 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.898 -6.793 -5.166 1.00 0.00 H new ATOM 378 N HIS A 27 7.163 -1.320 -4.438 1.00 0.00 N ATOM 379 CA HIS A 27 6.011 -0.440 -4.602 1.00 0.00 C ATOM 380 C HIS A 27 4.718 -1.167 -4.245 1.00 0.00 C ATOM 381 O HIS A 27 4.551 -2.346 -4.557 1.00 0.00 O ATOM 382 CB HIS A 27 5.939 0.079 -6.038 1.00 0.00 C ATOM 383 CG HIS A 27 6.873 1.218 -6.311 1.00 0.00 C ATOM 384 ND1 HIS A 27 6.651 2.152 -7.301 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.036 1.571 -5.716 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.638 3.030 -7.304 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.492 2.700 -6.351 1.00 0.00 N ATOM 0 H HIS A 27 7.159 -2.138 -5.047 1.00 0.00 H new ATOM 0 HA HIS A 27 6.131 0.405 -3.925 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.166 -0.738 -6.723 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.918 0.398 -6.250 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.516 1.060 -4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.731 3.874 -7.972 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.350 3.202 -6.124 1.00 0.00 H new ATOM 395 N CYS A 28 3.807 -0.455 -3.590 1.00 0.00 N ATOM 396 CA CYS A 28 2.529 -1.033 -3.190 1.00 0.00 C ATOM 397 C CYS A 28 1.457 0.046 -3.072 1.00 0.00 C ATOM 398 O CYS A 28 1.732 1.231 -3.260 1.00 0.00 O ATOM 399 CB CYS A 28 2.674 -1.772 -1.859 1.00 0.00 C ATOM 400 SG CYS A 28 3.278 -0.739 -0.503 1.00 0.00 S ATOM 0 H CYS A 28 3.930 0.522 -3.325 1.00 0.00 H new ATOM 0 HA CYS A 28 2.222 -1.742 -3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.707 -2.190 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.356 -2.611 -1.994 1.00 0.00 H new ATOM 0 HG CYS A 28 3.365 -1.452 0.580 1.00 0.00 H new ATOM 406 N ALA A 29 0.235 -0.373 -2.761 1.00 0.00 N ATOM 407 CA ALA A 29 -0.878 0.558 -2.617 1.00 0.00 C ATOM 408 C ALA A 29 -1.508 0.451 -1.233 1.00 0.00 C ATOM 409 O ALA A 29 -1.991 -0.612 -0.840 1.00 0.00 O ATOM 410 CB ALA A 29 -1.921 0.304 -3.696 1.00 0.00 C ATOM 0 H ALA A 29 -0.010 -1.351 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.490 1.570 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.746 1.006 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.469 0.439 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.296 -0.716 -3.607 1.00 0.00 H new ATOM 416 N VAL A 30 -1.500 1.557 -0.497 1.00 0.00 N ATOM 417 CA VAL A 30 -2.072 1.587 0.844 1.00 0.00 C ATOM 418 C VAL A 30 -3.512 2.088 0.817 1.00 0.00 C ATOM 419 O VAL A 30 -3.880 2.907 -0.025 1.00 0.00 O ATOM 420 CB VAL A 30 -1.246 2.484 1.786 1.00 0.00 C ATOM 421 CG1 VAL A 30 -1.091 3.878 1.197 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.892 2.546 3.163 1.00 0.00 C ATOM 0 H VAL A 30 -1.104 2.444 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.054 0.564 1.219 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.252 2.050 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.505 4.497 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.582 3.812 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.075 4.325 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.296 3.184 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.898 2.956 3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.945 1.543 3.585 1.00 0.00 H new ATOM 432 N LYS A 31 -4.323 1.590 1.744 1.00 0.00 N ATOM 433 CA LYS A 31 -5.723 1.987 1.829 1.00 0.00 C ATOM 434 C LYS A 31 -5.950 2.937 3.000 1.00 0.00 C ATOM 435 O LYS A 31 -5.824 2.547 4.161 1.00 0.00 O ATOM 436 CB LYS A 31 -6.616 0.753 1.980 1.00 0.00 C ATOM 437 CG LYS A 31 -7.978 1.057 2.579 1.00 0.00 C ATOM 438 CD LYS A 31 -8.854 -0.184 2.633 1.00 0.00 C ATOM 439 CE LYS A 31 -9.922 -0.066 3.709 1.00 0.00 C ATOM 440 NZ LYS A 31 -10.752 -1.298 3.804 1.00 0.00 N ATOM 0 H LYS A 31 -4.034 0.910 2.447 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.983 2.507 0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.753 0.293 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.107 0.022 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.853 1.459 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.473 1.827 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.328 -0.338 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.235 -1.060 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.448 0.128 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.563 0.788 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.468 -1.178 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.225 -1.469 2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.144 -2.109 4.036 1.00 0.00 H new ATOM 454 N ILE A 32 -6.285 4.184 2.688 1.00 0.00 N ATOM 455 CA ILE A 32 -6.531 5.189 3.715 1.00 0.00 C ATOM 456 C ILE A 32 -7.840 4.916 4.448 1.00 0.00 C ATOM 457 O ILE A 32 -8.832 4.518 3.838 1.00 0.00 O ATOM 458 CB ILE A 32 -6.577 6.607 3.116 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.355 6.849 2.228 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.647 7.647 4.224 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.456 8.103 1.389 1.00 0.00 C ATOM 0 H ILE A 32 -6.392 4.523 1.732 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.702 5.129 4.421 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.473 6.697 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.467 6.913 2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.219 5.991 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.679 8.644 3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.545 7.484 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.767 7.559 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.555 8.210 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.325 8.034 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.561 8.970 2.041 1.00 0.00 H new ATOM 473 N GLN A 33 -7.835 5.134 5.759 1.00 0.00 N ATOM 474 CA GLN A 33 -9.023 4.913 6.574 1.00 0.00 C ATOM 475 C GLN A 33 -10.040 6.032 6.370 1.00 0.00 C ATOM 476 O GLN A 33 -11.061 5.842 5.709 1.00 0.00 O ATOM 477 CB GLN A 33 -8.642 4.818 8.053 1.00 0.00 C ATOM 478 CG GLN A 33 -7.961 3.510 8.423 1.00 0.00 C ATOM 479 CD GLN A 33 -6.885 3.112 7.432 1.00 0.00 C ATOM 480 OE1 GLN A 33 -7.163 2.465 6.422 1.00 0.00 O ATOM 481 NE2 GLN A 33 -5.646 3.498 7.716 1.00 0.00 N ATOM 0 H GLN A 33 -7.022 5.463 6.279 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.477 3.973 6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.979 5.646 8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.540 4.935 8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.520 3.603 9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.709 2.719 8.479 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.460 4.033 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.880 3.259 7.086 1.00 0.00 H new ATOM 490 N ASP A 34 -9.754 7.196 6.942 1.00 0.00 N ATOM 491 CA ASP A 34 -10.643 8.346 6.822 1.00 0.00 C ATOM 492 C ASP A 34 -10.955 8.641 5.358 1.00 0.00 C ATOM 493 O ASP A 34 -12.091 8.957 5.006 1.00 0.00 O ATOM 494 CB ASP A 34 -10.014 9.575 7.480 1.00 0.00 C ATOM 495 CG ASP A 34 -10.111 9.535 8.992 1.00 0.00 C ATOM 496 OD1 ASP A 34 -9.237 8.909 9.626 1.00 0.00 O ATOM 497 OD2 ASP A 34 -11.062 10.131 9.542 1.00 0.00 O ATOM 0 H ASP A 34 -8.913 7.369 7.494 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.576 8.108 7.333 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.966 9.644 7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.508 10.474 7.111 1.00 0.00 H new ATOM 502 N LYS A 35 -9.938 8.536 4.509 1.00 0.00 N ATOM 503 CA LYS A 35 -10.103 8.791 3.083 1.00 0.00 C ATOM 504 C LYS A 35 -10.482 7.513 2.342 1.00 0.00 C ATOM 505 O LYS A 35 -10.169 6.410 2.787 1.00 0.00 O ATOM 506 CB LYS A 35 -8.814 9.370 2.495 1.00 0.00 C ATOM 507 CG LYS A 35 -9.043 10.258 1.284 1.00 0.00 C ATOM 508 CD LYS A 35 -9.489 11.653 1.692 1.00 0.00 C ATOM 509 CE LYS A 35 -9.047 12.697 0.679 1.00 0.00 C ATOM 510 NZ LYS A 35 -9.975 13.862 0.642 1.00 0.00 N ATOM 0 H LYS A 35 -8.991 8.276 4.784 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.909 9.514 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.300 9.945 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.152 8.550 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.124 10.325 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.798 9.808 0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.574 11.675 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.076 11.897 2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.043 13.041 0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.994 12.243 -0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.639 14.551 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.928 13.538 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.006 14.311 1.580 1.00 0.00 H new ATOM 524 N ASN A 36 -11.157 7.670 1.207 1.00 0.00 N ATOM 525 CA ASN A 36 -11.578 6.528 0.404 1.00 0.00 C ATOM 526 C ASN A 36 -10.739 6.417 -0.866 1.00 0.00 C ATOM 527 O ASN A 36 -11.222 5.960 -1.902 1.00 0.00 O ATOM 528 CB ASN A 36 -13.059 6.651 0.041 1.00 0.00 C ATOM 529 CG ASN A 36 -13.684 5.312 -0.300 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.307 4.670 -1.281 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.645 4.884 0.510 1.00 0.00 N ATOM 0 H ASN A 36 -11.424 8.577 0.823 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.430 5.625 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.599 7.099 0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.167 7.326 -0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.103 3.990 0.331 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.926 5.449 1.312 1.00 0.00 H new ATOM 538 N GLN A 37 -9.482 6.838 -0.777 1.00 0.00 N ATOM 539 CA GLN A 37 -8.577 6.786 -1.919 1.00 0.00 C ATOM 540 C GLN A 37 -7.390 5.873 -1.631 1.00 0.00 C ATOM 541 O GLN A 37 -7.020 5.665 -0.476 1.00 0.00 O ATOM 542 CB GLN A 37 -8.082 8.191 -2.268 1.00 0.00 C ATOM 543 CG GLN A 37 -9.061 8.988 -3.116 1.00 0.00 C ATOM 544 CD GLN A 37 -8.434 10.230 -3.717 1.00 0.00 C ATOM 545 OE1 GLN A 37 -8.810 11.354 -3.381 1.00 0.00 O ATOM 546 NE2 GLN A 37 -7.474 10.035 -4.613 1.00 0.00 N ATOM 0 H GLN A 37 -9.067 7.219 0.073 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.126 6.380 -2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.885 8.737 -1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.134 8.111 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.442 8.354 -3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.915 9.277 -2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.194 9.086 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.017 10.834 -5.053 1.00 0.00 H new ATOM 555 N TRP A 38 -6.797 5.331 -2.689 1.00 0.00 N ATOM 556 CA TRP A 38 -5.652 4.439 -2.550 1.00 0.00 C ATOM 557 C TRP A 38 -4.369 5.126 -3.004 1.00 0.00 C ATOM 558 O TRP A 38 -4.215 5.460 -4.178 1.00 0.00 O ATOM 559 CB TRP A 38 -5.874 3.160 -3.359 1.00 0.00 C ATOM 560 CG TRP A 38 -6.884 2.238 -2.747 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.239 2.410 -2.716 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.620 1.001 -2.075 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.833 1.355 -2.066 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.861 0.477 -1.664 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.457 0.285 -1.783 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.969 -0.729 -0.976 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.565 -0.911 -1.100 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.813 -1.409 -0.703 1.00 0.00 C ATOM 0 H TRP A 38 -7.090 5.494 -3.652 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.550 4.180 -1.496 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.199 3.427 -4.365 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.925 2.633 -3.459 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.766 3.252 -3.140 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.835 1.244 -1.908 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.490 0.660 -2.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.930 -1.114 -0.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.672 -1.472 -0.868 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.864 -2.348 -0.171 1.00 0.00 H new ATOM 579 N ARG A 39 -3.450 5.333 -2.066 1.00 0.00 N ATOM 580 CA ARG A 39 -2.180 5.982 -2.371 1.00 0.00 C ATOM 581 C ARG A 39 -1.041 4.967 -2.385 1.00 0.00 C ATOM 582 O ARG A 39 -0.938 4.122 -1.496 1.00 0.00 O ATOM 583 CB ARG A 39 -1.886 7.080 -1.347 1.00 0.00 C ATOM 584 CG ARG A 39 -2.457 8.436 -1.728 1.00 0.00 C ATOM 585 CD ARG A 39 -1.972 9.529 -0.788 1.00 0.00 C ATOM 586 NE ARG A 39 -2.241 9.207 0.611 1.00 0.00 N ATOM 587 CZ ARG A 39 -2.203 10.103 1.591 1.00 0.00 C ATOM 588 NH1 ARG A 39 -1.909 11.368 1.326 1.00 0.00 N ATOM 589 NH2 ARG A 39 -2.460 9.733 2.839 1.00 0.00 N ATOM 0 H ARG A 39 -3.561 5.061 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.257 6.429 -3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.293 6.782 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.807 7.171 -1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.168 8.679 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.546 8.393 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.901 9.677 -0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.460 10.470 -1.044 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.470 8.242 0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.711 11.656 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.881 12.054 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.687 8.760 3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.431 10.421 3.591 1.00 0.00 H new ATOM 603 N ARG A 40 -0.189 5.056 -3.401 1.00 0.00 N ATOM 604 CA ARG A 40 0.942 4.145 -3.532 1.00 0.00 C ATOM 605 C ARG A 40 2.105 4.591 -2.651 1.00 0.00 C ATOM 606 O ARG A 40 2.294 5.782 -2.411 1.00 0.00 O ATOM 607 CB ARG A 40 1.394 4.066 -4.991 1.00 0.00 C ATOM 608 CG ARG A 40 1.887 5.391 -5.548 1.00 0.00 C ATOM 609 CD ARG A 40 1.660 5.484 -7.049 1.00 0.00 C ATOM 610 NE ARG A 40 2.299 6.663 -7.628 1.00 0.00 N ATOM 611 CZ ARG A 40 2.292 6.940 -8.927 1.00 0.00 C ATOM 612 NH1 ARG A 40 1.681 6.127 -9.778 1.00 0.00 N ATOM 613 NH2 ARG A 40 2.895 8.033 -9.377 1.00 0.00 N ATOM 0 H ARG A 40 -0.260 5.750 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 40 0.620 3.157 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.190 3.327 -5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.563 3.711 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.370 6.211 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.949 5.505 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.050 4.587 -7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.590 5.515 -7.252 1.00 0.00 H new ATOM 0 HE ARG A 40 2.777 7.309 -7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.215 5.287 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.677 6.342 -10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.365 8.661 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.889 8.245 -10.375 1.00 0.00 H new ATOM 627 N GLY A 41 2.882 3.624 -2.172 1.00 0.00 N ATOM 628 CA GLY A 41 4.017 3.937 -1.322 1.00 0.00 C ATOM 629 C GLY A 41 5.226 3.077 -1.630 1.00 0.00 C ATOM 630 O GLY A 41 5.172 2.208 -2.500 1.00 0.00 O ATOM 0 H GLY A 41 2.746 2.630 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.281 4.987 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.734 3.800 -0.278 1.00 0.00 H new ATOM 634 N GLN A 42 6.321 3.321 -0.917 1.00 0.00 N ATOM 635 CA GLN A 42 7.549 2.563 -1.120 1.00 0.00 C ATOM 636 C GLN A 42 7.943 1.812 0.148 1.00 0.00 C ATOM 637 O GLN A 42 8.134 2.416 1.204 1.00 0.00 O ATOM 638 CB GLN A 42 8.684 3.496 -1.548 1.00 0.00 C ATOM 639 CG GLN A 42 9.854 2.773 -2.196 1.00 0.00 C ATOM 640 CD GLN A 42 11.060 3.671 -2.389 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.964 4.893 -2.270 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.205 3.069 -2.690 1.00 0.00 N ATOM 0 H GLN A 42 6.382 4.038 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 42 7.369 1.834 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.292 4.235 -2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.043 4.042 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.136 1.920 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.542 2.378 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.239 2.053 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.050 3.622 -2.832 1.00 0.00 H new ATOM 651 N ILE A 43 8.061 0.494 0.036 1.00 0.00 N ATOM 652 CA ILE A 43 8.433 -0.338 1.174 1.00 0.00 C ATOM 653 C ILE A 43 9.713 0.167 1.829 1.00 0.00 C ATOM 654 O ILE A 43 10.816 -0.211 1.433 1.00 0.00 O ATOM 655 CB ILE A 43 8.628 -1.808 0.756 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.338 -2.365 0.151 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.063 -2.644 1.950 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.166 -2.352 1.108 1.00 0.00 C ATOM 0 H ILE A 43 7.905 -0.021 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 43 7.614 -0.278 1.890 1.00 0.00 H new ATOM 0 HB ILE A 43 9.411 -1.854 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.080 -1.783 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.514 -3.388 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.197 -3.680 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.004 -2.258 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.300 -2.594 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.286 -2.761 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.403 -2.958 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.963 -1.328 1.421 1.00 0.00 H new ATOM 670 N ILE A 44 9.559 1.021 2.836 1.00 0.00 N ATOM 671 CA ILE A 44 10.703 1.575 3.548 1.00 0.00 C ATOM 672 C ILE A 44 11.377 0.516 4.415 1.00 0.00 C ATOM 673 O ILE A 44 12.489 0.076 4.122 1.00 0.00 O ATOM 674 CB ILE A 44 10.291 2.763 4.438 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.809 3.931 3.575 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.454 3.193 5.319 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.430 5.157 4.375 1.00 0.00 C ATOM 0 H ILE A 44 8.653 1.344 3.176 1.00 0.00 H new ATOM 0 HA ILE A 44 11.406 1.924 2.792 1.00 0.00 H new ATOM 0 HB ILE A 44 9.470 2.448 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.594 4.197 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.948 3.609 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.147 4.033 5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.756 2.361 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.294 3.494 4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.098 5.945 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.623 4.907 5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.295 5.505 4.940 1.00 0.00 H new ATOM 689 N ARG A 45 10.696 0.110 5.481 1.00 0.00 N ATOM 690 CA ARG A 45 11.228 -0.898 6.390 1.00 0.00 C ATOM 691 C ARG A 45 10.099 -1.656 7.082 1.00 0.00 C ATOM 692 O ARG A 45 9.250 -1.058 7.742 1.00 0.00 O ATOM 693 CB ARG A 45 12.134 -0.245 7.435 1.00 0.00 C ATOM 694 CG ARG A 45 11.389 0.248 8.664 1.00 0.00 C ATOM 695 CD ARG A 45 12.190 1.299 9.417 1.00 0.00 C ATOM 696 NE ARG A 45 11.512 1.736 10.635 1.00 0.00 N ATOM 697 CZ ARG A 45 11.595 1.091 11.793 1.00 0.00 C ATOM 698 NH1 ARG A 45 12.323 -0.013 11.891 1.00 0.00 N ATOM 699 NH2 ARG A 45 10.949 1.551 12.857 1.00 0.00 N ATOM 0 H ARG A 45 9.774 0.464 5.737 1.00 0.00 H new ATOM 0 HA ARG A 45 11.813 -1.607 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.893 -0.963 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.657 0.594 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.428 0.667 8.365 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.178 -0.593 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.169 0.894 9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.360 2.158 8.769 1.00 0.00 H new ATOM 0 HE ARG A 45 10.944 2.582 10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.821 -0.369 11.076 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.385 -0.506 12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.388 2.400 12.786 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.013 1.055 13.746 1.00 0.00 H new ATOM 713 N MET A 46 10.096 -2.976 6.925 1.00 0.00 N ATOM 714 CA MET A 46 9.072 -3.815 7.535 1.00 0.00 C ATOM 715 C MET A 46 9.215 -3.830 9.054 1.00 0.00 C ATOM 716 O MET A 46 10.231 -4.277 9.587 1.00 0.00 O ATOM 717 CB MET A 46 9.159 -5.242 6.989 1.00 0.00 C ATOM 718 CG MET A 46 8.469 -5.421 5.647 1.00 0.00 C ATOM 719 SD MET A 46 8.037 -7.139 5.312 1.00 0.00 S ATOM 720 CE MET A 46 6.747 -7.407 6.526 1.00 0.00 C ATOM 0 H MET A 46 10.791 -3.487 6.381 1.00 0.00 H new ATOM 0 HA MET A 46 8.098 -3.396 7.283 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.208 -5.521 6.889 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.714 -5.927 7.711 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.565 -4.812 5.623 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.122 -5.054 4.855 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.946 -8.330 7.071 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.726 -6.571 7.225 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.783 -7.484 6.022 1.00 0.00 H new ATOM 730 N VAL A 47 8.192 -3.339 9.746 1.00 0.00 N ATOM 731 CA VAL A 47 8.204 -3.297 11.203 1.00 0.00 C ATOM 732 C VAL A 47 7.888 -4.666 11.795 1.00 0.00 C ATOM 733 O VAL A 47 8.761 -5.330 12.355 1.00 0.00 O ATOM 734 CB VAL A 47 7.192 -2.270 11.744 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.290 -2.169 13.258 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.413 -0.912 11.095 1.00 0.00 C ATOM 0 H VAL A 47 7.344 -2.965 9.321 1.00 0.00 H new ATOM 0 HA VAL A 47 9.209 -2.998 11.502 1.00 0.00 H new ATOM 0 HB VAL A 47 6.187 -2.609 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.567 -1.438 13.621 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.078 -3.142 13.702 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.296 -1.854 13.537 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.689 -0.198 11.489 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.422 -0.564 11.314 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.286 -0.999 10.016 1.00 0.00 H new ATOM 746 N THR A 48 6.633 -5.084 11.668 1.00 0.00 N ATOM 747 CA THR A 48 6.200 -6.374 12.191 1.00 0.00 C ATOM 748 C THR A 48 5.598 -7.239 11.089 1.00 0.00 C ATOM 749 O THR A 48 5.593 -6.857 9.919 1.00 0.00 O ATOM 750 CB THR A 48 5.164 -6.204 13.318 1.00 0.00 C ATOM 751 OG1 THR A 48 3.953 -5.652 12.792 1.00 0.00 O ATOM 752 CG2 THR A 48 5.704 -5.301 14.417 1.00 0.00 C ATOM 0 H THR A 48 5.898 -4.548 11.207 1.00 0.00 H new ATOM 0 HA THR A 48 7.086 -6.866 12.593 1.00 0.00 H new ATOM 0 HB THR A 48 4.959 -7.186 13.744 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.194 -6.208 13.066 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.955 -5.196 15.202 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.610 -5.740 14.836 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.935 -4.320 14.001 1.00 0.00 H new ATOM 760 N ASP A 49 5.091 -8.406 11.471 1.00 0.00 N ATOM 761 CA ASP A 49 4.484 -9.326 10.516 1.00 0.00 C ATOM 762 C ASP A 49 3.104 -8.835 10.090 1.00 0.00 C ATOM 763 O ASP A 49 2.426 -9.475 9.285 1.00 0.00 O ATOM 764 CB ASP A 49 4.377 -10.727 11.121 1.00 0.00 C ATOM 765 CG ASP A 49 4.084 -11.787 10.078 1.00 0.00 C ATOM 766 OD1 ASP A 49 5.045 -12.299 9.466 1.00 0.00 O ATOM 767 OD2 ASP A 49 2.893 -12.105 9.873 1.00 0.00 O ATOM 0 H ASP A 49 5.088 -8.737 12.436 1.00 0.00 H new ATOM 0 HA ASP A 49 5.123 -9.368 9.634 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.309 -10.971 11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.589 -10.735 11.874 1.00 0.00 H new ATOM 772 N THR A 50 2.693 -7.695 10.637 1.00 0.00 N ATOM 773 CA THR A 50 1.393 -7.119 10.316 1.00 0.00 C ATOM 774 C THR A 50 1.528 -5.664 9.882 1.00 0.00 C ATOM 775 O THR A 50 0.705 -5.154 9.120 1.00 0.00 O ATOM 776 CB THR A 50 0.432 -7.198 11.517 1.00 0.00 C ATOM 777 OG1 THR A 50 1.015 -6.551 12.654 1.00 0.00 O ATOM 778 CG2 THR A 50 0.110 -8.645 11.859 1.00 0.00 C ATOM 0 H THR A 50 3.242 -7.153 11.304 1.00 0.00 H new ATOM 0 HA THR A 50 0.983 -7.704 9.493 1.00 0.00 H new ATOM 0 HB THR A 50 -0.494 -6.691 11.247 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.397 -6.604 13.413 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.570 -8.675 12.710 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.361 -9.126 11.001 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.030 -9.173 12.111 1.00 0.00 H new ATOM 786 N LEU A 51 2.571 -5.001 10.369 1.00 0.00 N ATOM 787 CA LEU A 51 2.814 -3.603 10.030 1.00 0.00 C ATOM 788 C LEU A 51 4.024 -3.469 9.110 1.00 0.00 C ATOM 789 O LEU A 51 4.868 -4.362 9.042 1.00 0.00 O ATOM 790 CB LEU A 51 3.032 -2.781 11.301 1.00 0.00 C ATOM 791 CG LEU A 51 2.148 -3.143 12.495 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.719 -2.560 13.779 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.724 -2.655 12.273 1.00 0.00 C ATOM 0 H LEU A 51 3.262 -5.408 10.999 1.00 0.00 H new ATOM 0 HA LEU A 51 1.937 -3.223 9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.075 -2.884 11.602 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.872 -1.730 11.062 1.00 0.00 H new ATOM 0 HG LEU A 51 2.128 -4.229 12.591 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.076 -2.828 14.618 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.719 -2.959 13.946 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.771 -1.475 13.694 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.110 -2.922 13.133 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.726 -1.572 12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.315 -3.121 11.377 1.00 0.00 H new ATOM 805 N VAL A 52 4.102 -2.345 8.405 1.00 0.00 N ATOM 806 CA VAL A 52 5.210 -2.091 7.492 1.00 0.00 C ATOM 807 C VAL A 52 5.369 -0.599 7.222 1.00 0.00 C ATOM 808 O VAL A 52 4.389 0.109 6.995 1.00 0.00 O ATOM 809 CB VAL A 52 5.012 -2.825 6.152 1.00 0.00 C ATOM 810 CG1 VAL A 52 5.917 -2.235 5.081 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.271 -4.315 6.319 1.00 0.00 C ATOM 0 H VAL A 52 3.411 -1.596 8.449 1.00 0.00 H new ATOM 0 HA VAL A 52 6.111 -2.468 7.975 1.00 0.00 H new ATOM 0 HB VAL A 52 3.978 -2.692 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.763 -2.766 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.679 -1.180 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.958 -2.335 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.127 -4.819 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.294 -4.470 6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.578 -4.725 7.053 1.00 0.00 H new ATOM 821 N GLU A 53 6.612 -0.128 7.249 1.00 0.00 N ATOM 822 CA GLU A 53 6.899 1.281 7.007 1.00 0.00 C ATOM 823 C GLU A 53 7.030 1.562 5.513 1.00 0.00 C ATOM 824 O GLU A 53 7.849 0.952 4.825 1.00 0.00 O ATOM 825 CB GLU A 53 8.184 1.694 7.729 1.00 0.00 C ATOM 826 CG GLU A 53 8.227 3.166 8.101 1.00 0.00 C ATOM 827 CD GLU A 53 9.290 3.475 9.138 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.004 3.324 10.344 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.408 3.867 8.742 1.00 0.00 O ATOM 0 H GLU A 53 7.435 -0.701 7.436 1.00 0.00 H new ATOM 0 HA GLU A 53 6.066 1.866 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.290 1.096 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.038 1.464 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.416 3.758 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.252 3.469 8.484 1.00 0.00 H new ATOM 836 N VAL A 54 6.216 2.488 5.017 1.00 0.00 N ATOM 837 CA VAL A 54 6.240 2.851 3.605 1.00 0.00 C ATOM 838 C VAL A 54 6.456 4.349 3.426 1.00 0.00 C ATOM 839 O VAL A 54 6.330 5.124 4.375 1.00 0.00 O ATOM 840 CB VAL A 54 4.932 2.444 2.900 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.951 0.964 2.551 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.731 2.780 3.770 1.00 0.00 C ATOM 0 H VAL A 54 5.531 3.001 5.572 1.00 0.00 H new ATOM 0 HA VAL A 54 7.072 2.311 3.153 1.00 0.00 H new ATOM 0 HB VAL A 54 4.849 3.010 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.019 0.695 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.790 0.758 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.058 0.377 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.816 2.486 3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.805 2.243 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.710 3.853 3.963 1.00 0.00 H new ATOM 852 N LEU A 55 6.783 4.752 2.203 1.00 0.00 N ATOM 853 CA LEU A 55 7.017 6.159 1.898 1.00 0.00 C ATOM 854 C LEU A 55 6.069 6.645 0.806 1.00 0.00 C ATOM 855 O LEU A 55 6.062 6.115 -0.306 1.00 0.00 O ATOM 856 CB LEU A 55 8.468 6.372 1.462 1.00 0.00 C ATOM 857 CG LEU A 55 8.748 7.647 0.665 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.238 8.868 1.414 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.237 7.779 0.377 1.00 0.00 C ATOM 0 H LEU A 55 6.892 4.124 1.407 1.00 0.00 H new ATOM 0 HA LEU A 55 6.827 6.738 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.097 6.378 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.775 5.516 0.861 1.00 0.00 H new ATOM 0 HG LEU A 55 8.218 7.582 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.446 9.765 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.163 8.777 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.739 8.938 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.418 8.692 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.787 7.821 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.573 6.919 -0.202 1.00 0.00 H new ATOM 871 N LEU A 56 5.271 7.656 1.129 1.00 0.00 N ATOM 872 CA LEU A 56 4.320 8.216 0.175 1.00 0.00 C ATOM 873 C LEU A 56 5.016 9.167 -0.793 1.00 0.00 C ATOM 874 O LEU A 56 4.534 10.271 -1.049 1.00 0.00 O ATOM 875 CB LEU A 56 3.199 8.950 0.913 1.00 0.00 C ATOM 876 CG LEU A 56 2.505 8.168 2.028 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.318 8.949 2.569 1.00 0.00 C ATOM 878 CD2 LEU A 56 2.061 6.802 1.524 1.00 0.00 C ATOM 0 H LEU A 56 5.263 8.105 2.045 1.00 0.00 H new ATOM 0 HA LEU A 56 3.891 7.394 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.610 9.865 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.446 9.249 0.184 1.00 0.00 H new ATOM 0 HG LEU A 56 3.217 8.021 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.837 8.376 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.662 9.903 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.603 9.128 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.569 6.259 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.365 6.929 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.931 6.239 1.185 1.00 0.00 H new ATOM 890 N TYR A 57 6.150 8.732 -1.330 1.00 0.00 N ATOM 891 CA TYR A 57 6.912 9.545 -2.270 1.00 0.00 C ATOM 892 C TYR A 57 5.983 10.368 -3.156 1.00 0.00 C ATOM 893 O TYR A 57 6.290 11.508 -3.507 1.00 0.00 O ATOM 894 CB TYR A 57 7.807 8.656 -3.137 1.00 0.00 C ATOM 895 CG TYR A 57 7.044 7.620 -3.931 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.379 7.963 -5.102 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.988 6.297 -3.510 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.681 7.020 -5.829 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.292 5.346 -4.232 1.00 0.00 C ATOM 900 CZ TYR A 57 5.640 5.713 -5.391 1.00 0.00 C ATOM 901 OH TYR A 57 4.946 4.770 -6.114 1.00 0.00 O ATOM 0 H TYR A 57 6.562 7.821 -1.130 1.00 0.00 H new ATOM 0 HA TYR A 57 7.537 10.229 -1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.372 9.285 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.531 8.151 -2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.409 8.985 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.497 6.007 -2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.169 7.304 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.259 4.322 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 57 5.420 3.913 -6.074 1.00 0.00 H new ATOM 911 N ASP A 58 4.846 9.783 -3.515 1.00 0.00 N ATOM 912 CA ASP A 58 3.869 10.462 -4.358 1.00 0.00 C ATOM 913 C ASP A 58 3.583 11.867 -3.837 1.00 0.00 C ATOM 914 O ASP A 58 3.621 12.840 -4.590 1.00 0.00 O ATOM 915 CB ASP A 58 2.571 9.655 -4.424 1.00 0.00 C ATOM 916 CG ASP A 58 2.110 9.188 -3.057 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.947 8.657 -2.298 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.913 9.355 -2.747 1.00 0.00 O ATOM 0 H ASP A 58 4.578 8.839 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 58 4.288 10.545 -5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.790 10.265 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.717 8.790 -5.070 1.00 0.00 H new ATOM 923 N VAL A 59 3.296 11.965 -2.542 1.00 0.00 N ATOM 924 CA VAL A 59 3.004 13.250 -1.920 1.00 0.00 C ATOM 925 C VAL A 59 4.216 13.782 -1.162 1.00 0.00 C ATOM 926 O VAL A 59 4.529 14.970 -1.227 1.00 0.00 O ATOM 927 CB VAL A 59 1.812 13.146 -0.950 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.553 12.729 -1.695 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.124 12.171 0.175 1.00 0.00 C ATOM 0 H VAL A 59 3.260 11.170 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 59 2.750 13.940 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 59 1.637 14.128 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.279 12.661 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.322 13.469 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.713 11.758 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.271 12.110 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.327 11.185 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.999 12.518 0.725 1.00 0.00 H new ATOM 939 N GLY A 60 4.895 12.893 -0.444 1.00 0.00 N ATOM 940 CA GLY A 60 6.065 13.292 0.316 1.00 0.00 C ATOM 941 C GLY A 60 5.846 13.194 1.813 1.00 0.00 C ATOM 942 O GLY A 60 6.136 14.134 2.553 1.00 0.00 O ATOM 0 H GLY A 60 4.656 11.904 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.909 12.663 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.330 14.317 0.057 1.00 0.00 H new ATOM 946 N VAL A 61 5.332 12.052 2.260 1.00 0.00 N ATOM 947 CA VAL A 61 5.074 11.835 3.678 1.00 0.00 C ATOM 948 C VAL A 61 5.504 10.436 4.107 1.00 0.00 C ATOM 949 O VAL A 61 5.098 9.441 3.509 1.00 0.00 O ATOM 950 CB VAL A 61 3.582 12.026 4.013 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.277 11.502 5.408 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.192 13.491 3.888 1.00 0.00 C ATOM 0 H VAL A 61 5.086 11.264 1.661 1.00 0.00 H new ATOM 0 HA VAL A 61 5.659 12.576 4.223 1.00 0.00 H new ATOM 0 HB VAL A 61 2.990 11.454 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.219 11.645 5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.517 10.440 5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.876 12.045 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.135 13.608 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.789 14.087 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.372 13.830 2.868 1.00 0.00 H new ATOM 962 N GLU A 62 6.329 10.370 5.148 1.00 0.00 N ATOM 963 CA GLU A 62 6.815 9.093 5.656 1.00 0.00 C ATOM 964 C GLU A 62 5.915 8.575 6.775 1.00 0.00 C ATOM 965 O GLU A 62 5.768 9.216 7.816 1.00 0.00 O ATOM 966 CB GLU A 62 8.251 9.234 6.166 1.00 0.00 C ATOM 967 CG GLU A 62 9.208 9.811 5.136 1.00 0.00 C ATOM 968 CD GLU A 62 10.439 10.432 5.767 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.398 11.640 6.081 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.442 9.711 5.948 1.00 0.00 O ATOM 0 H GLU A 62 6.674 11.185 5.655 1.00 0.00 H new ATOM 0 HA GLU A 62 6.797 8.375 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.253 9.872 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.614 8.255 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.515 9.022 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.688 10.565 4.544 1.00 0.00 H new ATOM 977 N LEU A 63 5.315 7.411 6.552 1.00 0.00 N ATOM 978 CA LEU A 63 4.429 6.805 7.540 1.00 0.00 C ATOM 979 C LEU A 63 4.459 5.284 7.439 1.00 0.00 C ATOM 980 O LEU A 63 5.105 4.723 6.553 1.00 0.00 O ATOM 981 CB LEU A 63 2.998 7.312 7.349 1.00 0.00 C ATOM 982 CG LEU A 63 2.096 6.456 6.459 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.745 7.126 6.266 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.762 6.199 5.115 1.00 0.00 C ATOM 0 H LEU A 63 5.426 6.868 5.696 1.00 0.00 H new ATOM 0 HA LEU A 63 4.781 7.091 8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.530 7.398 8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.043 8.316 6.928 1.00 0.00 H new ATOM 0 HG LEU A 63 1.936 5.497 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.117 6.502 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.263 7.258 7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.885 8.099 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.106 5.588 4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.953 7.149 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.705 5.675 5.271 1.00 0.00 H new ATOM 996 N VAL A 64 3.755 4.621 8.351 1.00 0.00 N ATOM 997 CA VAL A 64 3.699 3.164 8.363 1.00 0.00 C ATOM 998 C VAL A 64 2.261 2.671 8.485 1.00 0.00 C ATOM 999 O VAL A 64 1.493 3.162 9.312 1.00 0.00 O ATOM 1000 CB VAL A 64 4.531 2.580 9.520 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.137 3.225 10.839 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.364 1.069 9.585 1.00 0.00 C ATOM 0 H VAL A 64 3.215 5.070 9.091 1.00 0.00 H new ATOM 0 HA VAL A 64 4.118 2.823 7.416 1.00 0.00 H new ATOM 0 HB VAL A 64 5.583 2.799 9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.735 2.800 11.645 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.312 4.300 10.785 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.081 3.039 11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.959 0.672 10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.314 0.826 9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.700 0.625 8.648 1.00 0.00 H new ATOM 1012 N VAL A 65 1.904 1.695 7.656 1.00 0.00 N ATOM 1013 CA VAL A 65 0.559 1.133 7.671 1.00 0.00 C ATOM 1014 C VAL A 65 0.598 -0.381 7.846 1.00 0.00 C ATOM 1015 O VAL A 65 1.669 -0.983 7.892 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.205 1.470 6.377 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.109 2.956 6.071 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.324 0.642 5.216 1.00 0.00 C ATOM 0 H VAL A 65 2.528 1.277 6.966 1.00 0.00 H new ATOM 0 HA VAL A 65 0.039 1.580 8.518 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.256 1.222 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.655 3.174 5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.540 3.526 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.937 3.235 5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.227 0.893 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.382 0.857 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.196 -0.418 5.437 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.579 -0.991 7.943 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.680 -2.436 8.113 1.00 0.00 C ATOM 1030 C ASN A 66 -0.704 -3.142 6.761 1.00 0.00 C ATOM 1031 O ASN A 66 -1.384 -2.706 5.832 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.939 -2.790 8.908 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.820 -4.128 9.612 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -1.231 -4.226 10.689 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.381 -5.167 9.005 1.00 0.00 N ATOM 0 H ASN A 66 -1.476 -0.507 7.907 1.00 0.00 H new ATOM 0 HA ASN A 66 0.197 -2.774 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.131 -2.010 9.645 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.796 -2.811 8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.334 -6.093 9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.859 -5.039 8.113 1.00 0.00 H new ATOM 1042 N VAL A 67 0.044 -4.237 6.659 1.00 0.00 N ATOM 1043 CA VAL A 67 0.108 -5.005 5.421 1.00 0.00 C ATOM 1044 C VAL A 67 -1.288 -5.357 4.920 1.00 0.00 C ATOM 1045 O VAL A 67 -1.561 -5.299 3.721 1.00 0.00 O ATOM 1046 CB VAL A 67 0.916 -6.303 5.608 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.391 -5.990 5.806 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.371 -7.106 6.780 1.00 0.00 C ATOM 0 H VAL A 67 0.613 -4.611 7.418 1.00 0.00 H new ATOM 0 HA VAL A 67 0.608 -4.377 4.684 1.00 0.00 H new ATOM 0 HB VAL A 67 0.815 -6.906 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.946 -6.919 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.771 -5.460 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.515 -5.366 6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.954 -8.020 6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.440 -6.512 7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.672 -7.362 6.592 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.169 -5.720 5.845 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.539 -6.080 5.497 1.00 0.00 C ATOM 1060 C ASP A 68 -4.200 -4.976 4.678 1.00 0.00 C ATOM 1061 O ASP A 68 -5.189 -5.211 3.984 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.355 -6.350 6.763 1.00 0.00 C ATOM 1063 CG ASP A 68 -5.028 -5.101 7.296 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -4.381 -4.033 7.296 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -6.202 -5.191 7.712 1.00 0.00 O ATOM 0 H ASP A 68 -1.959 -5.773 6.842 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.508 -6.987 4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.112 -7.104 6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.702 -6.763 7.531 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.646 -3.771 4.764 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.183 -2.629 4.032 1.00 0.00 C ATOM 1072 C CYS A 69 -3.389 -2.381 2.753 1.00 0.00 C ATOM 1073 O CYS A 69 -3.892 -1.781 1.803 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.161 -1.378 4.911 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.644 -1.160 5.922 1.00 0.00 S ATOM 0 H CYS A 69 -2.826 -3.560 5.333 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.214 -2.855 3.760 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.291 -1.423 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.036 -0.502 4.275 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.703 -2.103 6.815 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.144 -2.846 2.737 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.279 -2.674 1.575 1.00 0.00 C ATOM 1083 C LEU A 70 -1.752 -3.537 0.410 1.00 0.00 C ATOM 1084 O LEU A 70 -2.437 -4.541 0.607 1.00 0.00 O ATOM 1085 CB LEU A 70 0.166 -3.028 1.934 1.00 0.00 C ATOM 1086 CG LEU A 70 0.874 -2.070 2.892 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.257 -2.595 3.246 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.970 -0.679 2.281 1.00 0.00 C ATOM 0 H LEU A 70 -1.712 -3.344 3.515 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.326 -1.629 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.176 -4.024 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.745 -3.082 1.012 1.00 0.00 H new ATOM 0 HG LEU A 70 0.287 -2.003 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.746 -1.900 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.165 -3.570 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.853 -2.692 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.477 -0.010 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.534 -0.729 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.032 -0.301 2.079 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.381 -3.140 -0.803 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.767 -3.878 -1.999 1.00 0.00 C ATOM 1102 C ARG A 71 -0.620 -3.923 -3.004 1.00 0.00 C ATOM 1103 O ARG A 71 0.283 -3.087 -2.970 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.998 -3.238 -2.644 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.315 -3.772 -2.105 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.567 -5.200 -2.565 1.00 0.00 C ATOM 1107 NE ARG A 71 -3.964 -6.179 -1.666 1.00 0.00 N ATOM 1108 CZ ARG A 71 -3.788 -7.457 -1.983 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -4.167 -7.907 -3.171 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -3.231 -8.288 -1.111 1.00 0.00 N ATOM 0 H ARG A 71 -0.814 -2.312 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.009 -4.899 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.961 -2.160 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.962 -3.404 -3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.305 -3.736 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.132 -3.132 -2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.641 -5.377 -2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.164 -5.334 -3.569 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.661 -5.865 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.595 -7.271 -3.844 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.031 -8.889 -3.412 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.937 -7.946 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.096 -9.269 -1.356 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.661 -4.906 -3.897 1.00 0.00 N ATOM 1125 CA LYS A 72 0.374 -5.061 -4.913 1.00 0.00 C ATOM 1126 C LYS A 72 0.188 -4.050 -6.039 1.00 0.00 C ATOM 1127 O LYS A 72 -0.828 -4.061 -6.736 1.00 0.00 O ATOM 1128 CB LYS A 72 0.350 -6.482 -5.480 1.00 0.00 C ATOM 1129 CG LYS A 72 0.743 -7.547 -4.471 1.00 0.00 C ATOM 1130 CD LYS A 72 0.529 -8.946 -5.025 1.00 0.00 C ATOM 1131 CE LYS A 72 1.562 -9.289 -6.087 1.00 0.00 C ATOM 1132 NZ LYS A 72 2.813 -9.833 -5.489 1.00 0.00 N ATOM 0 H LYS A 72 -1.400 -5.608 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 72 1.340 -4.879 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.651 -6.698 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.026 -6.535 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.790 -7.420 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.156 -7.421 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.585 -9.672 -4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.471 -9.021 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.143 -10.019 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.795 -8.397 -6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.492 -10.054 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.227 -9.126 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.595 -10.699 -4.955 1.00 0.00 H new ATOM 1146 N LEU A 73 1.174 -3.177 -6.212 1.00 0.00 N ATOM 1147 CA LEU A 73 1.120 -2.159 -7.256 1.00 0.00 C ATOM 1148 C LEU A 73 1.242 -2.789 -8.639 1.00 0.00 C ATOM 1149 O LEU A 73 2.340 -3.125 -9.083 1.00 0.00 O ATOM 1150 CB LEU A 73 2.234 -1.131 -7.051 1.00 0.00 C ATOM 1151 CG LEU A 73 1.968 0.268 -7.610 1.00 0.00 C ATOM 1152 CD1 LEU A 73 1.292 1.141 -6.564 1.00 0.00 C ATOM 1153 CD2 LEU A 73 3.265 0.908 -8.084 1.00 0.00 C ATOM 0 H LEU A 73 2.020 -3.153 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 73 0.154 -1.658 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.427 -1.043 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.145 -1.516 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 73 1.298 0.176 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.111 2.132 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.343 0.691 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.937 1.227 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.057 1.903 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.959 0.987 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.709 0.293 -8.866 1.00 0.00 H new ATOM 1165 N GLU A 74 0.109 -2.945 -9.316 1.00 0.00 N ATOM 1166 CA GLU A 74 0.090 -3.534 -10.649 1.00 0.00 C ATOM 1167 C GLU A 74 0.481 -2.503 -11.705 1.00 0.00 C ATOM 1168 O GLU A 74 0.238 -1.308 -11.540 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.297 -4.100 -10.962 1.00 0.00 C ATOM 1170 CG GLU A 74 -1.886 -4.927 -9.832 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.129 -6.220 -9.600 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -1.061 -7.045 -10.535 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -0.603 -6.407 -8.483 1.00 0.00 O ATOM 0 H GLU A 74 -0.808 -2.671 -8.963 1.00 0.00 H new ATOM 0 HA GLU A 74 0.818 -4.345 -10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.974 -3.276 -11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.235 -4.717 -11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.881 -4.338 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.927 -5.156 -10.059 1.00 0.00 H new ATOM 1180 N GLU A 75 1.089 -2.976 -12.788 1.00 0.00 N ATOM 1181 CA GLU A 75 1.515 -2.095 -13.870 1.00 0.00 C ATOM 1182 C GLU A 75 0.345 -1.265 -14.388 1.00 0.00 C ATOM 1183 O GLU A 75 0.415 -0.037 -14.438 1.00 0.00 O ATOM 1184 CB GLU A 75 2.121 -2.911 -15.013 1.00 0.00 C ATOM 1185 CG GLU A 75 3.013 -2.098 -15.936 1.00 0.00 C ATOM 1186 CD GLU A 75 3.609 -2.930 -17.055 1.00 0.00 C ATOM 1187 OE1 GLU A 75 2.933 -3.106 -18.089 1.00 0.00 O ATOM 1188 OE2 GLU A 75 4.753 -3.405 -16.895 1.00 0.00 O ATOM 0 H GLU A 75 1.298 -3.963 -12.940 1.00 0.00 H new ATOM 0 HA GLU A 75 2.272 -1.417 -13.476 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.700 -3.733 -14.593 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.315 -3.355 -15.598 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.435 -1.280 -16.365 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.818 -1.649 -15.354 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.731 -1.944 -14.773 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.917 -1.269 -15.288 1.00 0.00 C ATOM 1197 C ASN A 76 -2.308 -0.097 -14.393 1.00 0.00 C ATOM 1198 O ASN A 76 -2.521 1.018 -14.870 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.083 -2.254 -15.397 1.00 0.00 C ATOM 1200 CG ASN A 76 -3.385 -2.940 -14.078 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -2.526 -3.607 -13.502 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.611 -2.779 -13.595 1.00 0.00 N ATOM 0 H ASN A 76 -0.806 -2.961 -14.738 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.683 -0.883 -16.280 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.972 -1.724 -15.740 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.850 -3.007 -16.150 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.873 -3.217 -12.712 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.291 -2.217 -14.107 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.402 -0.358 -13.094 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.767 0.675 -12.131 1.00 0.00 C ATOM 1211 C LEU A 77 -1.613 1.648 -11.912 1.00 0.00 C ATOM 1212 O LEU A 77 -1.818 2.790 -11.501 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.173 0.039 -10.800 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.227 -1.066 -10.878 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.510 -1.632 -9.496 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.505 -0.539 -11.513 1.00 0.00 C ATOM 0 H LEU A 77 -2.231 -1.276 -12.683 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.614 1.230 -12.535 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.280 -0.371 -10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.547 0.825 -10.144 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.838 -1.869 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.262 -2.417 -9.571 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.593 -2.047 -9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.878 -0.838 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.244 -1.339 -11.561 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.897 0.283 -10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.291 -0.183 -12.521 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.397 1.188 -12.190 1.00 0.00 N ATOM 1229 CA LYS A 78 0.791 2.018 -12.027 1.00 0.00 C ATOM 1230 C LYS A 78 0.838 3.114 -13.087 1.00 0.00 C ATOM 1231 O LYS A 78 0.970 4.296 -12.767 1.00 0.00 O ATOM 1232 CB LYS A 78 2.054 1.158 -12.111 1.00 0.00 C ATOM 1233 CG LYS A 78 3.337 1.967 -12.182 1.00 0.00 C ATOM 1234 CD LYS A 78 4.448 1.192 -12.871 1.00 0.00 C ATOM 1235 CE LYS A 78 5.609 2.099 -13.247 1.00 0.00 C ATOM 1236 NZ LYS A 78 6.321 1.614 -14.462 1.00 0.00 N ATOM 0 H LYS A 78 -0.209 0.245 -12.529 1.00 0.00 H new ATOM 0 HA LYS A 78 0.744 2.488 -11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.095 0.502 -11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.989 0.517 -12.990 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.153 2.897 -12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.653 2.239 -11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.803 0.399 -12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.056 0.711 -13.767 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.239 3.109 -13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.310 2.156 -12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.105 2.259 -14.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.696 0.660 -14.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.659 1.584 -15.263 1.00 0.00 H new ATOM 1250 N THR A 79 0.728 2.715 -14.350 1.00 0.00 N ATOM 1251 CA THR A 79 0.759 3.664 -15.456 1.00 0.00 C ATOM 1252 C THR A 79 -0.549 3.638 -16.238 1.00 0.00 C ATOM 1253 O THR A 79 -1.032 2.573 -16.623 1.00 0.00 O ATOM 1254 CB THR A 79 1.925 3.368 -16.418 1.00 0.00 C ATOM 1255 OG1 THR A 79 2.096 4.458 -17.331 1.00 0.00 O ATOM 1256 CG2 THR A 79 1.673 2.084 -17.195 1.00 0.00 C ATOM 0 H THR A 79 0.617 1.741 -14.633 1.00 0.00 H new ATOM 0 HA THR A 79 0.900 4.653 -15.020 1.00 0.00 H new ATOM 0 HB THR A 79 2.832 3.244 -15.827 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.840 4.263 -17.938 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.510 1.896 -17.868 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.573 1.251 -16.499 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.756 2.184 -17.776 1.00 0.00 H new ATOM 1264 N MET A 80 -1.118 4.816 -16.471 1.00 0.00 N ATOM 1265 CA MET A 80 -2.370 4.928 -17.210 1.00 0.00 C ATOM 1266 C MET A 80 -2.424 6.235 -17.995 1.00 0.00 C ATOM 1267 O MET A 80 -2.098 7.299 -17.470 1.00 0.00 O ATOM 1268 CB MET A 80 -3.561 4.845 -16.253 1.00 0.00 C ATOM 1269 CG MET A 80 -3.658 3.518 -15.517 1.00 0.00 C ATOM 1270 SD MET A 80 -4.887 3.544 -14.198 1.00 0.00 S ATOM 1271 CE MET A 80 -5.659 1.944 -14.423 1.00 0.00 C ATOM 0 H MET A 80 -0.732 5.707 -16.159 1.00 0.00 H new ATOM 0 HA MET A 80 -2.421 4.099 -17.916 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.487 5.651 -15.523 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.481 5.007 -16.815 1.00 0.00 H new ATOM 0 HG2 MET A 80 -3.910 2.730 -16.227 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.684 3.268 -15.096 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.202 1.672 -13.518 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.352 1.989 -15.263 1.00 0.00 H new ATOM 0 HE3 MET A 80 -4.893 1.196 -14.625 1.00 0.00 H new ATOM 1281 N GLY A 81 -2.837 6.147 -19.255 1.00 0.00 N ATOM 1282 CA GLY A 81 -2.925 7.330 -20.092 1.00 0.00 C ATOM 1283 C GLY A 81 -1.575 7.979 -20.321 1.00 0.00 C ATOM 1284 O GLY A 81 -0.954 7.782 -21.366 1.00 0.00 O ATOM 0 H GLY A 81 -3.112 5.278 -19.712 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.363 7.060 -21.053 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.597 8.051 -19.627 1.00 0.00 H new ATOM 1288 N ARG A 82 -1.120 8.757 -19.344 1.00 0.00 N ATOM 1289 CA ARG A 82 0.164 9.439 -19.447 1.00 0.00 C ATOM 1290 C ARG A 82 1.190 8.810 -18.509 1.00 0.00 C ATOM 1291 O ARG A 82 0.854 8.368 -17.410 1.00 0.00 O ATOM 1292 CB ARG A 82 0.003 10.925 -19.120 1.00 0.00 C ATOM 1293 CG ARG A 82 -0.502 11.754 -20.290 1.00 0.00 C ATOM 1294 CD ARG A 82 -1.230 13.002 -19.815 1.00 0.00 C ATOM 1295 NE ARG A 82 -1.307 14.021 -20.858 1.00 0.00 N ATOM 1296 CZ ARG A 82 -0.269 14.753 -21.249 1.00 0.00 C ATOM 1297 NH1 ARG A 82 0.919 14.579 -20.686 1.00 0.00 N ATOM 1298 NH2 ARG A 82 -0.419 15.661 -22.205 1.00 0.00 N ATOM 0 H ARG A 82 -1.621 8.930 -18.473 1.00 0.00 H new ATOM 0 HA ARG A 82 0.521 9.335 -20.471 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.689 11.032 -18.284 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.963 11.322 -18.792 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.337 12.040 -20.924 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.173 11.151 -20.902 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.237 12.734 -19.495 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.717 13.412 -18.945 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.207 14.180 -21.311 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.038 13.882 -19.951 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.714 15.142 -20.988 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.331 15.797 -22.640 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.378 16.223 -22.505 1.00 0.00 H new ATOM 1312 N LEU A 83 2.442 8.772 -18.951 1.00 0.00 N ATOM 1313 CA LEU A 83 3.519 8.197 -18.153 1.00 0.00 C ATOM 1314 C LEU A 83 4.051 9.210 -17.144 1.00 0.00 C ATOM 1315 O LEU A 83 4.379 8.860 -16.011 1.00 0.00 O ATOM 1316 CB LEU A 83 4.654 7.719 -19.060 1.00 0.00 C ATOM 1317 CG LEU A 83 5.332 8.794 -19.910 1.00 0.00 C ATOM 1318 CD1 LEU A 83 6.763 8.394 -20.235 1.00 0.00 C ATOM 1319 CD2 LEU A 83 4.542 9.040 -21.187 1.00 0.00 C ATOM 0 H LEU A 83 2.737 9.133 -19.858 1.00 0.00 H new ATOM 0 HA LEU A 83 3.116 7.345 -17.606 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.413 7.243 -18.439 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.261 6.951 -19.727 1.00 0.00 H new ATOM 0 HG LEU A 83 5.357 9.721 -19.337 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.229 9.171 -20.840 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.325 8.269 -19.309 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.762 7.455 -20.788 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.039 9.808 -21.780 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.485 8.117 -21.763 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.535 9.372 -20.934 1.00 0.00 H new ATOM 1331 N SER A 84 4.130 10.469 -17.564 1.00 0.00 N ATOM 1332 CA SER A 84 4.623 11.534 -16.699 1.00 0.00 C ATOM 1333 C SER A 84 3.673 12.727 -16.710 1.00 0.00 C ATOM 1334 O SER A 84 3.677 13.530 -17.644 1.00 0.00 O ATOM 1335 CB SER A 84 6.020 11.975 -17.142 1.00 0.00 C ATOM 1336 OG SER A 84 6.025 12.354 -18.508 1.00 0.00 O ATOM 0 H SER A 84 3.859 10.776 -18.498 1.00 0.00 H new ATOM 0 HA SER A 84 4.678 11.146 -15.682 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.353 12.812 -16.528 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.729 11.162 -16.984 1.00 0.00 H new ATOM 0 HG SER A 84 5.270 12.954 -18.684 1.00 0.00 H new ATOM 1342 N LEU A 85 2.860 12.838 -15.666 1.00 0.00 N ATOM 1343 CA LEU A 85 1.902 13.933 -15.554 1.00 0.00 C ATOM 1344 C LEU A 85 2.596 15.220 -15.118 1.00 0.00 C ATOM 1345 O LEU A 85 1.944 16.180 -14.708 1.00 0.00 O ATOM 1346 CB LEU A 85 0.799 13.572 -14.558 1.00 0.00 C ATOM 1347 CG LEU A 85 1.198 12.619 -13.430 1.00 0.00 C ATOM 1348 CD1 LEU A 85 0.316 12.837 -12.210 1.00 0.00 C ATOM 1349 CD2 LEU A 85 1.115 11.174 -13.899 1.00 0.00 C ATOM 0 H LEU A 85 2.845 12.183 -14.884 1.00 0.00 H new ATOM 0 HA LEU A 85 1.457 14.096 -16.536 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.424 14.493 -14.112 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.028 13.125 -15.109 1.00 0.00 H new ATOM 0 HG LEU A 85 2.230 12.830 -13.149 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.614 12.150 -11.418 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.426 13.864 -11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.725 12.653 -12.476 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.402 10.510 -13.084 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.094 10.950 -14.207 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.789 11.026 -14.742 1.00 0.00 H new TER 1361 LEU A 85