USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Single : A 3 THR OG1 : rot -17:sc= 0.628 USER MOD Single : A 11 SER OG : rot 79:sc= 0.0194 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 90:sc= -3.8! USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= -0.177 (180deg=-0.7) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -145:sc= 1.33 USER MOD Single : A 40 MET CE :methyl 165:sc=-0.00357 (180deg=-0.0891) USER MOD Single : A 41 MET CE :methyl -163:sc= 0 (180deg=-0.115) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -122:sc= -1.44! (180deg=-2.95!) USER MOD Single : A 44 ASN :FLIP amide:sc= -4.22! C(o=-5.7!,f=-4.2!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -6.28! C(o=-9.6!,f=-6.3!) USER MOD Single : A 66 THR OG1 : rot -35:sc= 0.186 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.535 USER MOD Single : A 78 HIS :FLIP no HE2:sc= -10.2! C(o=-12!,f=-10!) USER MOD Single : A 79 GLN :FLIP amide:sc= -5.99! C(o=-6.6!,f=-6!) USER MOD Single : A 81 SER OG : rot -130:sc= -1.48! USER MOD Single : A 83 ASN : amide:sc= -0.0609 X(o=-0.061,f=-0.013) USER MOD Single : A 85 SER OG : rot 78:sc= -4.84! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -9.886 24.900 -9.747 1.00 0.00 N ATOM 2 CA THR A 3 -8.699 24.598 -8.958 1.00 0.00 C ATOM 3 C THR A 3 -7.604 23.982 -9.822 1.00 0.00 C ATOM 4 O THR A 3 -7.886 23.239 -10.763 1.00 0.00 O ATOM 5 CB THR A 3 -9.023 23.637 -7.799 1.00 0.00 C ATOM 6 OG1 THR A 3 -10.173 22.847 -8.124 1.00 0.00 O ATOM 7 CG2 THR A 3 -9.280 24.408 -6.513 1.00 0.00 C ATOM 0 HA THR A 3 -8.345 25.544 -8.548 1.00 0.00 H new ATOM 0 HB THR A 3 -8.164 22.983 -7.648 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.657 23.264 -8.868 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.507 23.708 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.394 24.986 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.124 25.083 -6.656 1.00 0.00 H new ATOM 15 N ASP A 4 -6.354 24.294 -9.497 1.00 0.00 N ATOM 16 CA ASP A 4 -5.215 23.770 -10.243 1.00 0.00 C ATOM 17 C ASP A 4 -3.905 24.323 -9.689 1.00 0.00 C ATOM 18 O ASP A 4 -3.249 25.148 -10.326 1.00 0.00 O ATOM 19 CB ASP A 4 -5.345 24.122 -11.726 1.00 0.00 C ATOM 20 CG ASP A 4 -4.688 23.092 -12.624 1.00 0.00 C ATOM 21 OD1 ASP A 4 -4.060 22.154 -12.090 1.00 0.00 O ATOM 22 OD2 ASP A 4 -4.801 23.225 -13.861 1.00 0.00 O ATOM 0 H ASP A 4 -6.104 24.907 -8.722 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.207 22.685 -10.135 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.400 24.206 -11.986 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.894 25.098 -11.906 1.00 0.00 H new ATOM 27 N ILE A 5 -3.532 23.861 -8.501 1.00 0.00 N ATOM 28 CA ILE A 5 -2.302 24.303 -7.857 1.00 0.00 C ATOM 29 C ILE A 5 -1.227 23.222 -7.949 1.00 0.00 C ATOM 30 O ILE A 5 -1.538 22.035 -8.054 1.00 0.00 O ATOM 31 CB ILE A 5 -2.557 24.665 -6.377 1.00 0.00 C ATOM 32 CG1 ILE A 5 -1.251 24.682 -5.580 1.00 0.00 C ATOM 33 CG2 ILE A 5 -3.543 23.684 -5.759 1.00 0.00 C ATOM 34 CD1 ILE A 5 -0.812 23.311 -5.120 1.00 0.00 C ATOM 0 H ILE A 5 -4.066 23.178 -7.963 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.952 25.193 -8.379 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.985 25.667 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.465 25.120 -6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.373 25.327 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.715 23.949 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.486 23.724 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.135 22.675 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.120 23.396 -4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.581 22.879 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.658 22.668 -5.987 1.00 0.00 H new ATOM 46 N ASP A 6 0.037 23.638 -7.916 1.00 0.00 N ATOM 47 CA ASP A 6 1.150 22.699 -8.000 1.00 0.00 C ATOM 48 C ASP A 6 1.145 21.736 -6.818 1.00 0.00 C ATOM 49 O ASP A 6 1.963 21.854 -5.905 1.00 0.00 O ATOM 50 CB ASP A 6 2.481 23.446 -8.050 1.00 0.00 C ATOM 51 CG ASP A 6 3.634 22.530 -8.409 1.00 0.00 C ATOM 52 OD1 ASP A 6 3.539 21.316 -8.122 1.00 0.00 O ATOM 53 OD2 ASP A 6 4.631 23.023 -8.977 1.00 0.00 O ATOM 0 H ASP A 6 0.314 24.616 -7.832 1.00 0.00 H new ATOM 0 HA ASP A 6 1.029 22.124 -8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.417 24.252 -8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.674 23.909 -7.082 1.00 0.00 H new ATOM 58 N GLU A 7 0.222 20.782 -6.842 1.00 0.00 N ATOM 59 CA GLU A 7 0.114 19.796 -5.774 1.00 0.00 C ATOM 60 C GLU A 7 1.432 19.049 -5.590 1.00 0.00 C ATOM 61 O GLU A 7 1.653 18.409 -4.562 1.00 0.00 O ATOM 62 CB GLU A 7 -1.007 18.802 -6.081 1.00 0.00 C ATOM 63 CG GLU A 7 -2.374 19.450 -6.260 1.00 0.00 C ATOM 64 CD GLU A 7 -2.687 19.763 -7.710 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.915 19.329 -8.592 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.705 20.440 -7.964 1.00 0.00 O ATOM 0 H GLU A 7 -0.463 20.670 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.119 20.323 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.754 18.253 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.064 18.073 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.141 18.786 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.415 20.370 -5.677 1.00 0.00 H new ATOM 73 N CYS A 8 2.303 19.132 -6.590 1.00 0.00 N ATOM 74 CA CYS A 8 3.598 18.462 -6.533 1.00 0.00 C ATOM 75 C CYS A 8 4.595 19.286 -5.728 1.00 0.00 C ATOM 76 O CYS A 8 5.441 18.740 -5.020 1.00 0.00 O ATOM 77 CB CYS A 8 4.133 18.219 -7.946 1.00 0.00 C ATOM 78 SG CYS A 8 5.534 17.054 -8.037 1.00 0.00 S ATOM 0 H CYS A 8 2.136 19.656 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 8 3.465 17.501 -6.037 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.322 17.840 -8.568 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.443 19.173 -8.372 1.00 0.00 H new ATOM 83 N ARG A 9 4.485 20.607 -5.837 1.00 0.00 N ATOM 84 CA ARG A 9 5.372 21.508 -5.112 1.00 0.00 C ATOM 85 C ARG A 9 5.062 21.477 -3.620 1.00 0.00 C ATOM 86 O ARG A 9 5.937 21.715 -2.788 1.00 0.00 O ATOM 87 CB ARG A 9 5.235 22.936 -5.644 1.00 0.00 C ATOM 88 CG ARG A 9 6.399 23.374 -6.518 1.00 0.00 C ATOM 89 CD ARG A 9 7.072 24.620 -5.965 1.00 0.00 C ATOM 90 NE ARG A 9 8.518 24.596 -6.167 1.00 0.00 N ATOM 91 CZ ARG A 9 9.359 25.429 -5.562 1.00 0.00 C ATOM 92 NH1 ARG A 9 8.898 26.345 -4.722 1.00 0.00 N ATOM 93 NH2 ARG A 9 10.661 25.345 -5.798 1.00 0.00 N ATOM 0 H ARG A 9 3.791 21.076 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 9 6.398 21.173 -5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.311 23.014 -6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.146 23.622 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.127 22.566 -6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.043 23.570 -7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.653 25.503 -6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.856 24.706 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 9 8.904 23.902 -6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.897 26.411 -4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.545 26.983 -4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.018 24.641 -6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.306 25.984 -5.334 1.00 0.00 H new ATOM 107 N ILE A 10 3.810 21.173 -3.290 1.00 0.00 N ATOM 108 CA ILE A 10 3.384 21.102 -1.901 1.00 0.00 C ATOM 109 C ILE A 10 4.393 20.328 -1.067 1.00 0.00 C ATOM 110 O ILE A 10 4.704 20.703 0.063 1.00 0.00 O ATOM 111 CB ILE A 10 2.004 20.424 -1.778 1.00 0.00 C ATOM 112 CG1 ILE A 10 0.909 21.358 -2.298 1.00 0.00 C ATOM 113 CG2 ILE A 10 1.729 20.021 -0.336 1.00 0.00 C ATOM 114 CD1 ILE A 10 0.592 22.499 -1.357 1.00 0.00 C ATOM 0 H ILE A 10 3.075 20.972 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 10 3.314 22.124 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 10 2.006 19.519 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.218 21.766 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.002 20.779 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.751 19.545 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.496 19.322 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.744 20.907 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.192 23.120 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.253 22.099 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.487 23.101 -1.201 1.00 0.00 H new ATOM 126 N SER A 11 4.897 19.241 -1.634 1.00 0.00 N ATOM 127 CA SER A 11 5.866 18.402 -0.948 1.00 0.00 C ATOM 128 C SER A 11 6.556 17.457 -1.925 1.00 0.00 C ATOM 129 O SER A 11 5.898 16.725 -2.665 1.00 0.00 O ATOM 130 CB SER A 11 5.173 17.600 0.153 1.00 0.00 C ATOM 131 OG SER A 11 5.723 16.298 0.261 1.00 0.00 O ATOM 0 H SER A 11 4.649 18.920 -2.570 1.00 0.00 H new ATOM 0 HA SER A 11 6.624 19.046 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.275 18.121 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.106 17.531 -0.060 1.00 0.00 H new ATOM 0 HG SER A 11 6.564 16.339 0.763 1.00 0.00 H new ATOM 137 N PRO A 12 7.897 17.449 -1.932 1.00 0.00 N ATOM 138 CA PRO A 12 8.676 16.579 -2.811 1.00 0.00 C ATOM 139 C PRO A 12 8.520 15.121 -2.413 1.00 0.00 C ATOM 140 O PRO A 12 8.799 14.214 -3.196 1.00 0.00 O ATOM 141 CB PRO A 12 10.124 17.033 -2.610 1.00 0.00 C ATOM 142 CG PRO A 12 10.052 18.304 -1.828 1.00 0.00 C ATOM 143 CD PRO A 12 8.755 18.271 -1.075 1.00 0.00 C ATOM 0 HA PRO A 12 8.352 16.650 -3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.699 16.278 -2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.620 17.192 -3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.896 18.386 -1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.094 19.169 -2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.875 17.832 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.345 19.271 -0.934 1.00 0.00 H new ATOM 151 N ASP A 13 8.062 14.913 -1.186 1.00 0.00 N ATOM 152 CA ASP A 13 7.852 13.571 -0.664 1.00 0.00 C ATOM 153 C ASP A 13 6.364 13.240 -0.626 1.00 0.00 C ATOM 154 O ASP A 13 5.955 12.244 -0.031 1.00 0.00 O ATOM 155 CB ASP A 13 8.452 13.442 0.737 1.00 0.00 C ATOM 156 CG ASP A 13 8.612 14.784 1.424 1.00 0.00 C ATOM 157 OD1 ASP A 13 7.814 15.700 1.131 1.00 0.00 O ATOM 158 OD2 ASP A 13 9.534 14.920 2.255 1.00 0.00 O ATOM 0 H ASP A 13 7.828 15.660 -0.532 1.00 0.00 H new ATOM 0 HA ASP A 13 8.352 12.864 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.814 12.800 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.424 12.954 0.669 1.00 0.00 H new ATOM 163 N LEU A 14 5.559 14.084 -1.265 1.00 0.00 N ATOM 164 CA LEU A 14 4.115 13.879 -1.303 1.00 0.00 C ATOM 165 C LEU A 14 3.780 12.415 -1.565 1.00 0.00 C ATOM 166 O LEU A 14 2.950 11.824 -0.876 1.00 0.00 O ATOM 167 CB LEU A 14 3.479 14.758 -2.382 1.00 0.00 C ATOM 168 CG LEU A 14 2.265 15.568 -1.925 1.00 0.00 C ATOM 169 CD1 LEU A 14 2.292 16.958 -2.534 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.976 14.852 -2.296 1.00 0.00 C ATOM 0 H LEU A 14 5.881 14.914 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 14 3.710 14.159 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.235 15.447 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.180 14.123 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 14 2.307 15.665 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.421 17.520 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.199 17.475 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.275 16.879 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.123 15.443 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.929 14.724 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.951 13.875 -1.814 1.00 0.00 H new ATOM 182 N CYS A 15 4.431 11.838 -2.567 1.00 0.00 N ATOM 183 CA CYS A 15 4.205 10.443 -2.927 1.00 0.00 C ATOM 184 C CYS A 15 4.823 9.507 -1.895 1.00 0.00 C ATOM 185 O CYS A 15 4.524 8.313 -1.867 1.00 0.00 O ATOM 186 CB CYS A 15 4.788 10.150 -4.309 1.00 0.00 C ATOM 187 SG CYS A 15 4.009 8.738 -5.159 1.00 0.00 S ATOM 0 H CYS A 15 5.121 12.315 -3.146 1.00 0.00 H new ATOM 0 HA CYS A 15 3.129 10.271 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.683 11.038 -4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.856 9.956 -4.208 1.00 0.00 H new ATOM 192 N GLY A 16 5.684 10.057 -1.047 1.00 0.00 N ATOM 193 CA GLY A 16 6.331 9.261 -0.024 1.00 0.00 C ATOM 194 C GLY A 16 7.447 8.398 -0.579 1.00 0.00 C ATOM 195 O GLY A 16 8.127 7.695 0.169 1.00 0.00 O ATOM 0 H GLY A 16 5.945 11.043 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.734 9.921 0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.590 8.624 0.459 1.00 0.00 H new ATOM 199 N ARG A 17 7.638 8.452 -1.893 1.00 0.00 N ATOM 200 CA ARG A 17 8.682 7.670 -2.547 1.00 0.00 C ATOM 201 C ARG A 17 8.645 7.864 -4.060 1.00 0.00 C ATOM 202 O ARG A 17 9.677 7.806 -4.727 1.00 0.00 O ATOM 203 CB ARG A 17 8.522 6.186 -2.209 1.00 0.00 C ATOM 204 CG ARG A 17 9.811 5.391 -2.347 1.00 0.00 C ATOM 205 CD ARG A 17 10.784 5.707 -1.223 1.00 0.00 C ATOM 206 NE ARG A 17 11.772 4.648 -1.040 1.00 0.00 N ATOM 207 CZ ARG A 17 12.762 4.410 -1.894 1.00 0.00 C ATOM 208 NH1 ARG A 17 12.893 5.153 -2.985 1.00 0.00 N ATOM 209 NH2 ARG A 17 13.622 3.428 -1.659 1.00 0.00 N ATOM 0 H ARG A 17 7.084 9.029 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 17 9.646 8.020 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.154 6.092 -1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.765 5.752 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.584 4.325 -2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.277 5.615 -3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.295 6.646 -1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.231 5.851 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 17 11.698 4.058 -0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.233 5.909 -3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.654 4.969 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.524 2.854 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.381 3.247 -2.316 1.00 0.00 H new ATOM 223 N GLY A 18 7.448 8.087 -4.595 1.00 0.00 N ATOM 224 CA GLY A 18 7.303 8.279 -6.026 1.00 0.00 C ATOM 225 C GLY A 18 7.604 9.696 -6.466 1.00 0.00 C ATOM 226 O GLY A 18 8.552 10.318 -5.988 1.00 0.00 O ATOM 0 H GLY A 18 6.578 8.138 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.970 7.593 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.286 8.021 -6.320 1.00 0.00 H new ATOM 230 N GLN A 19 6.794 10.203 -7.391 1.00 0.00 N ATOM 231 CA GLN A 19 6.972 11.552 -7.912 1.00 0.00 C ATOM 232 C GLN A 19 5.625 12.243 -8.107 1.00 0.00 C ATOM 233 O GLN A 19 4.873 11.905 -9.021 1.00 0.00 O ATOM 234 CB GLN A 19 7.725 11.499 -9.240 1.00 0.00 C ATOM 235 CG GLN A 19 9.073 10.803 -9.145 1.00 0.00 C ATOM 236 CD GLN A 19 10.151 11.509 -9.943 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.874 12.358 -9.418 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.266 11.163 -11.220 1.00 0.00 N ATOM 0 H GLN A 19 6.006 9.697 -7.795 1.00 0.00 H new ATOM 0 HA GLN A 19 7.551 12.126 -7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.110 10.983 -9.977 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.875 12.515 -9.605 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.377 10.749 -8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.974 9.778 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.646 10.455 -11.614 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.974 11.605 -11.806 1.00 0.00 H new ATOM 247 N CYS A 20 5.322 13.206 -7.243 1.00 0.00 N ATOM 248 CA CYS A 20 4.059 13.932 -7.326 1.00 0.00 C ATOM 249 C CYS A 20 3.833 14.494 -8.726 1.00 0.00 C ATOM 250 O CYS A 20 4.779 14.828 -9.437 1.00 0.00 O ATOM 251 CB CYS A 20 4.017 15.066 -6.297 1.00 0.00 C ATOM 252 SG CYS A 20 5.520 16.097 -6.245 1.00 0.00 S ATOM 0 H CYS A 20 5.931 13.501 -6.480 1.00 0.00 H new ATOM 0 HA CYS A 20 3.260 13.224 -7.107 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.161 15.705 -6.514 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.852 14.637 -5.309 1.00 0.00 H new ATOM 257 N VAL A 21 2.565 14.600 -9.105 1.00 0.00 N ATOM 258 CA VAL A 21 2.187 15.130 -10.409 1.00 0.00 C ATOM 259 C VAL A 21 1.100 16.185 -10.252 1.00 0.00 C ATOM 260 O VAL A 21 0.470 16.278 -9.201 1.00 0.00 O ATOM 261 CB VAL A 21 1.687 14.016 -11.351 1.00 0.00 C ATOM 262 CG1 VAL A 21 0.940 14.607 -12.540 1.00 0.00 C ATOM 263 CG2 VAL A 21 2.849 13.155 -11.820 1.00 0.00 C ATOM 0 H VAL A 21 1.775 14.323 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 21 3.076 15.579 -10.851 1.00 0.00 H new ATOM 0 HB VAL A 21 0.993 13.385 -10.796 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.597 13.803 -13.190 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.082 15.177 -12.184 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.606 15.265 -13.098 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.478 12.374 -12.484 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.568 13.775 -12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.335 12.698 -10.958 1.00 0.00 H new ATOM 273 N ASN A 22 0.885 16.983 -11.291 1.00 0.00 N ATOM 274 CA ASN A 22 -0.124 18.033 -11.241 1.00 0.00 C ATOM 275 C ASN A 22 -1.311 17.721 -12.146 1.00 0.00 C ATOM 276 O ASN A 22 -1.148 17.195 -13.247 1.00 0.00 O ATOM 277 CB ASN A 22 0.486 19.375 -11.643 1.00 0.00 C ATOM 278 CG ASN A 22 -0.313 20.543 -11.111 1.00 0.00 C ATOM 279 OD1 ASN A 22 -0.926 21.293 -11.871 1.00 0.00 O ATOM 280 ND2 ASN A 22 -0.312 20.704 -9.794 1.00 0.00 N ATOM 0 H ASN A 22 1.393 16.924 -12.174 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.485 18.087 -10.214 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.508 19.435 -11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.540 19.438 -12.730 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.833 21.473 -9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.210 20.058 -9.202 1.00 0.00 H new ATOM 287 N THR A 23 -2.507 18.062 -11.673 1.00 0.00 N ATOM 288 CA THR A 23 -3.728 17.836 -12.433 1.00 0.00 C ATOM 289 C THR A 23 -4.763 18.911 -12.120 1.00 0.00 C ATOM 290 O THR A 23 -4.715 19.540 -11.062 1.00 0.00 O ATOM 291 CB THR A 23 -4.332 16.451 -12.133 1.00 0.00 C ATOM 292 OG1 THR A 23 -5.172 16.523 -10.974 1.00 0.00 O ATOM 293 CG2 THR A 23 -3.237 15.421 -11.906 1.00 0.00 C ATOM 0 H THR A 23 -2.654 18.498 -10.763 1.00 0.00 H new ATOM 0 HA THR A 23 -3.462 17.880 -13.489 1.00 0.00 H new ATOM 0 HB THR A 23 -4.926 16.144 -12.994 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.088 16.740 -11.247 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.688 14.451 -11.696 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.616 15.347 -12.799 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.621 15.726 -11.060 1.00 0.00 H new ATOM 301 N PRO A 24 -5.716 19.134 -13.036 1.00 0.00 N ATOM 302 CA PRO A 24 -6.770 20.136 -12.853 1.00 0.00 C ATOM 303 C PRO A 24 -7.581 19.877 -11.590 1.00 0.00 C ATOM 304 O PRO A 24 -8.289 18.875 -11.491 1.00 0.00 O ATOM 305 CB PRO A 24 -7.651 19.978 -14.100 1.00 0.00 C ATOM 306 CG PRO A 24 -7.286 18.652 -14.677 1.00 0.00 C ATOM 307 CD PRO A 24 -5.846 18.426 -14.316 1.00 0.00 C ATOM 0 HA PRO A 24 -6.363 21.141 -12.740 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.709 20.016 -13.841 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.469 20.781 -14.814 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.919 17.862 -14.271 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.423 18.646 -15.758 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.616 17.365 -14.217 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.172 18.829 -15.071 1.00 0.00 H new ATOM 315 N GLY A 25 -7.464 20.776 -10.617 1.00 0.00 N ATOM 316 CA GLY A 25 -8.186 20.608 -9.371 1.00 0.00 C ATOM 317 C GLY A 25 -7.940 19.243 -8.766 1.00 0.00 C ATOM 318 O GLY A 25 -8.871 18.570 -8.323 1.00 0.00 O ATOM 0 H GLY A 25 -6.885 21.614 -10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.880 21.380 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.253 20.742 -9.547 1.00 0.00 H new ATOM 322 N ASP A 26 -6.677 18.832 -8.759 1.00 0.00 N ATOM 323 CA ASP A 26 -6.291 17.536 -8.219 1.00 0.00 C ATOM 324 C ASP A 26 -4.828 17.247 -8.529 1.00 0.00 C ATOM 325 O ASP A 26 -4.116 18.104 -9.058 1.00 0.00 O ATOM 326 CB ASP A 26 -7.175 16.436 -8.800 1.00 0.00 C ATOM 327 CG ASP A 26 -7.979 15.715 -7.735 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.608 15.809 -6.546 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.979 15.058 -8.090 1.00 0.00 O ATOM 0 H ASP A 26 -5.900 19.382 -9.124 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.423 17.559 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.855 16.870 -9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.552 15.716 -9.330 1.00 0.00 H new ATOM 334 N PHE A 27 -4.377 16.044 -8.199 1.00 0.00 N ATOM 335 CA PHE A 27 -2.991 15.670 -8.447 1.00 0.00 C ATOM 336 C PHE A 27 -2.773 14.170 -8.297 1.00 0.00 C ATOM 337 O PHE A 27 -3.681 13.429 -7.921 1.00 0.00 O ATOM 338 CB PHE A 27 -2.075 16.423 -7.486 1.00 0.00 C ATOM 339 CG PHE A 27 -2.138 15.921 -6.073 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.171 16.303 -5.234 1.00 0.00 C ATOM 341 CD2 PHE A 27 -1.161 15.070 -5.584 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.228 15.845 -3.931 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.213 14.608 -4.283 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.249 14.996 -3.455 1.00 0.00 C ATOM 0 H PHE A 27 -4.944 15.317 -7.763 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.753 15.939 -9.476 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.048 16.348 -7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.340 17.480 -7.499 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.940 16.966 -5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.349 14.764 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.038 16.151 -3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.445 13.945 -3.914 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.293 14.636 -2.438 1.00 0.00 H new ATOM 354 N GLU A 28 -1.553 13.739 -8.590 1.00 0.00 N ATOM 355 CA GLU A 28 -1.182 12.334 -8.489 1.00 0.00 C ATOM 356 C GLU A 28 0.317 12.207 -8.238 1.00 0.00 C ATOM 357 O GLU A 28 0.971 13.184 -7.875 1.00 0.00 O ATOM 358 CB GLU A 28 -1.577 11.583 -9.764 1.00 0.00 C ATOM 359 CG GLU A 28 -0.969 12.166 -11.028 1.00 0.00 C ATOM 360 CD GLU A 28 -1.757 11.808 -12.273 1.00 0.00 C ATOM 361 OE1 GLU A 28 -2.990 11.638 -12.167 1.00 0.00 O ATOM 362 OE2 GLU A 28 -1.142 11.696 -13.354 1.00 0.00 O ATOM 0 H GLU A 28 -0.797 14.349 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.717 11.889 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.271 10.541 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.663 11.589 -9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.917 13.251 -10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.054 11.806 -11.134 1.00 0.00 H new ATOM 369 N CYS A 29 0.861 11.011 -8.427 1.00 0.00 N ATOM 370 CA CYS A 29 2.286 10.796 -8.209 1.00 0.00 C ATOM 371 C CYS A 29 2.732 9.428 -8.714 1.00 0.00 C ATOM 372 O CYS A 29 1.958 8.470 -8.716 1.00 0.00 O ATOM 373 CB CYS A 29 2.620 10.932 -6.724 1.00 0.00 C ATOM 374 SG CYS A 29 2.201 9.461 -5.733 1.00 0.00 S ATOM 0 H CYS A 29 0.344 10.184 -8.727 1.00 0.00 H new ATOM 0 HA CYS A 29 2.824 11.557 -8.775 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.685 11.137 -6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.088 11.793 -6.320 1.00 0.00 H new ATOM 379 N LYS A 30 3.991 9.347 -9.132 1.00 0.00 N ATOM 380 CA LYS A 30 4.558 8.099 -9.629 1.00 0.00 C ATOM 381 C LYS A 30 5.267 7.353 -8.504 1.00 0.00 C ATOM 382 O LYS A 30 6.481 7.466 -8.339 1.00 0.00 O ATOM 383 CB LYS A 30 5.538 8.378 -10.771 1.00 0.00 C ATOM 384 CG LYS A 30 5.827 7.166 -11.641 1.00 0.00 C ATOM 385 CD LYS A 30 5.775 5.876 -10.838 1.00 0.00 C ATOM 386 CE LYS A 30 5.814 4.655 -11.743 1.00 0.00 C ATOM 387 NZ LYS A 30 4.753 4.702 -12.786 1.00 0.00 N ATOM 0 H LYS A 30 4.640 10.134 -9.136 1.00 0.00 H new ATOM 0 HA LYS A 30 3.746 7.477 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.135 9.175 -11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.475 8.744 -10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.102 7.119 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.811 7.272 -12.098 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.616 5.843 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.866 5.856 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.791 4.589 -12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.692 3.754 -11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.585 3.744 -13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.874 5.072 -12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.057 5.323 -13.563 1.00 0.00 H new ATOM 401 N CYS A 31 4.496 6.603 -7.726 1.00 0.00 N ATOM 402 CA CYS A 31 5.042 5.847 -6.604 1.00 0.00 C ATOM 403 C CYS A 31 6.271 5.046 -7.018 1.00 0.00 C ATOM 404 O CYS A 31 6.752 5.157 -8.146 1.00 0.00 O ATOM 405 CB CYS A 31 3.984 4.908 -6.023 1.00 0.00 C ATOM 406 SG CYS A 31 3.402 5.370 -4.358 1.00 0.00 S ATOM 0 H CYS A 31 3.489 6.502 -7.851 1.00 0.00 H new ATOM 0 HA CYS A 31 5.342 6.565 -5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.129 4.880 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.393 3.898 -5.985 1.00 0.00 H new ATOM 411 N ASP A 32 6.774 4.240 -6.090 1.00 0.00 N ATOM 412 CA ASP A 32 7.951 3.418 -6.339 1.00 0.00 C ATOM 413 C ASP A 32 7.561 1.953 -6.555 1.00 0.00 C ATOM 414 O ASP A 32 6.522 1.664 -7.148 1.00 0.00 O ATOM 415 CB ASP A 32 8.929 3.546 -5.170 1.00 0.00 C ATOM 416 CG ASP A 32 10.372 3.367 -5.600 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.666 2.373 -6.296 1.00 0.00 O ATOM 418 OD2 ASP A 32 11.208 4.223 -5.241 1.00 0.00 O ATOM 0 H ASP A 32 6.382 4.139 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 32 8.436 3.772 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.810 4.525 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.684 2.802 -4.412 1.00 0.00 H new ATOM 423 N GLU A 33 8.406 1.035 -6.079 1.00 0.00 N ATOM 424 CA GLU A 33 8.162 -0.399 -6.222 1.00 0.00 C ATOM 425 C GLU A 33 6.668 -0.720 -6.264 1.00 0.00 C ATOM 426 O GLU A 33 6.043 -0.659 -7.322 1.00 0.00 O ATOM 427 CB GLU A 33 8.833 -1.161 -5.077 1.00 0.00 C ATOM 428 CG GLU A 33 10.344 -1.025 -5.062 1.00 0.00 C ATOM 429 CD GLU A 33 11.048 -2.267 -5.573 1.00 0.00 C ATOM 430 OE1 GLU A 33 11.182 -2.408 -6.807 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.463 -3.099 -4.740 1.00 0.00 O ATOM 0 H GLU A 33 9.270 1.264 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 33 8.593 -0.716 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.434 -0.800 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.572 -2.217 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.634 -0.170 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.676 -0.817 -4.045 1.00 0.00 H new ATOM 438 N GLY A 34 6.101 -1.072 -5.112 1.00 0.00 N ATOM 439 CA GLY A 34 4.691 -1.405 -5.053 1.00 0.00 C ATOM 440 C GLY A 34 3.916 -0.499 -4.119 1.00 0.00 C ATOM 441 O GLY A 34 2.881 -0.891 -3.588 1.00 0.00 O ATOM 0 H GLY A 34 6.594 -1.132 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.264 -1.339 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.579 -2.439 -4.726 1.00 0.00 H new ATOM 445 N TYR A 35 4.415 0.714 -3.918 1.00 0.00 N ATOM 446 CA TYR A 35 3.754 1.669 -3.039 1.00 0.00 C ATOM 447 C TYR A 35 2.584 2.347 -3.745 1.00 0.00 C ATOM 448 O TYR A 35 2.699 2.772 -4.894 1.00 0.00 O ATOM 449 CB TYR A 35 4.748 2.723 -2.555 1.00 0.00 C ATOM 450 CG TYR A 35 5.819 2.175 -1.637 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.594 1.037 -0.874 1.00 0.00 C ATOM 452 CD2 TYR A 35 7.057 2.798 -1.535 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.570 0.535 -0.035 1.00 0.00 C ATOM 454 CE2 TYR A 35 8.039 2.302 -0.699 1.00 0.00 C ATOM 455 CZ TYR A 35 7.790 1.171 0.049 1.00 0.00 C ATOM 456 OH TYR A 35 8.766 0.673 0.882 1.00 0.00 O ATOM 0 H TYR A 35 5.272 1.059 -4.350 1.00 0.00 H new ATOM 0 HA TYR A 35 3.367 1.120 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.225 3.184 -3.420 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.204 3.510 -2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.640 0.536 -0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.255 3.685 -2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.378 -0.351 0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.996 2.798 -0.632 1.00 0.00 H new ATOM 0 HH TYR A 35 9.565 1.237 0.823 1.00 0.00 H new ATOM 466 N GLU A 36 1.458 2.447 -3.044 1.00 0.00 N ATOM 467 CA GLU A 36 0.263 3.073 -3.596 1.00 0.00 C ATOM 468 C GLU A 36 0.008 4.430 -2.941 1.00 0.00 C ATOM 469 O GLU A 36 0.040 4.554 -1.716 1.00 0.00 O ATOM 470 CB GLU A 36 -0.949 2.152 -3.406 1.00 0.00 C ATOM 471 CG GLU A 36 -1.763 2.445 -2.154 1.00 0.00 C ATOM 472 CD GLU A 36 -2.950 1.514 -2.000 1.00 0.00 C ATOM 473 OE1 GLU A 36 -2.914 0.407 -2.578 1.00 0.00 O ATOM 474 OE2 GLU A 36 -3.914 1.891 -1.301 1.00 0.00 O ATOM 0 H GLU A 36 1.349 2.101 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 36 0.420 3.235 -4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.598 2.240 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.604 1.119 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.120 2.356 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.116 3.476 -2.187 1.00 0.00 H new ATOM 481 N SER A 37 -0.244 5.444 -3.763 1.00 0.00 N ATOM 482 CA SER A 37 -0.504 6.785 -3.262 1.00 0.00 C ATOM 483 C SER A 37 -1.972 6.950 -2.885 1.00 0.00 C ATOM 484 O SER A 37 -2.822 7.181 -3.746 1.00 0.00 O ATOM 485 CB SER A 37 -0.114 7.829 -4.310 1.00 0.00 C ATOM 486 OG SER A 37 0.141 7.222 -5.565 1.00 0.00 O ATOM 0 H SER A 37 -0.273 5.360 -4.779 1.00 0.00 H new ATOM 0 HA SER A 37 0.101 6.935 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.914 8.562 -4.413 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.772 8.369 -3.977 1.00 0.00 H new ATOM 0 HG SER A 37 0.865 7.701 -6.019 1.00 0.00 H new ATOM 492 N GLY A 38 -2.264 6.829 -1.595 1.00 0.00 N ATOM 493 CA GLY A 38 -3.630 6.968 -1.127 1.00 0.00 C ATOM 494 C GLY A 38 -4.080 5.789 -0.289 1.00 0.00 C ATOM 495 O GLY A 38 -5.188 5.279 -0.465 1.00 0.00 O ATOM 0 H GLY A 38 -1.578 6.637 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.718 7.882 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.295 7.075 -1.984 1.00 0.00 H new ATOM 499 N PHE A 39 -3.222 5.356 0.625 1.00 0.00 N ATOM 500 CA PHE A 39 -3.534 4.230 1.497 1.00 0.00 C ATOM 501 C PHE A 39 -4.293 4.692 2.738 1.00 0.00 C ATOM 502 O PHE A 39 -4.752 3.875 3.536 1.00 0.00 O ATOM 503 CB PHE A 39 -2.250 3.508 1.912 1.00 0.00 C ATOM 504 CG PHE A 39 -2.484 2.359 2.851 1.00 0.00 C ATOM 505 CD1 PHE A 39 -3.503 1.451 2.616 1.00 0.00 C ATOM 506 CD2 PHE A 39 -1.684 2.188 3.970 1.00 0.00 C ATOM 507 CE1 PHE A 39 -3.721 0.393 3.479 1.00 0.00 C ATOM 508 CE2 PHE A 39 -1.897 1.132 4.836 1.00 0.00 C ATOM 509 CZ PHE A 39 -2.917 0.234 4.590 1.00 0.00 C ATOM 0 H PHE A 39 -2.302 5.768 0.782 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.169 3.540 0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.745 3.140 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.578 4.223 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.135 1.571 1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.885 2.888 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.519 -0.308 3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.266 1.009 5.704 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.085 -0.591 5.266 1.00 0.00 H new ATOM 519 N MET A 40 -4.422 6.006 2.894 1.00 0.00 N ATOM 520 CA MET A 40 -5.124 6.576 4.037 1.00 0.00 C ATOM 521 C MET A 40 -4.700 8.024 4.261 1.00 0.00 C ATOM 522 O MET A 40 -5.436 8.814 4.853 1.00 0.00 O ATOM 523 CB MET A 40 -4.850 5.751 5.296 1.00 0.00 C ATOM 524 CG MET A 40 -3.416 5.255 5.397 1.00 0.00 C ATOM 525 SD MET A 40 -2.502 6.044 6.736 1.00 0.00 S ATOM 526 CE MET A 40 -3.311 5.328 8.165 1.00 0.00 C ATOM 0 H MET A 40 -4.049 6.696 2.242 1.00 0.00 H new ATOM 0 HA MET A 40 -6.193 6.554 3.826 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.080 6.355 6.174 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.524 4.895 5.313 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.419 4.176 5.550 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.904 5.441 4.453 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.702 5.501 9.052 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.288 5.791 8.300 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.435 4.256 8.013 1.00 0.00 H new ATOM 536 N MET A 41 -3.509 8.363 3.782 1.00 0.00 N ATOM 537 CA MET A 41 -2.979 9.713 3.925 1.00 0.00 C ATOM 538 C MET A 41 -3.370 10.577 2.731 1.00 0.00 C ATOM 539 O MET A 41 -3.344 11.803 2.812 1.00 0.00 O ATOM 540 CB MET A 41 -1.457 9.670 4.056 1.00 0.00 C ATOM 541 CG MET A 41 -0.950 8.480 4.853 1.00 0.00 C ATOM 542 SD MET A 41 0.065 8.970 6.262 1.00 0.00 S ATOM 543 CE MET A 41 -1.193 9.519 7.412 1.00 0.00 C ATOM 0 H MET A 41 -2.890 7.719 3.290 1.00 0.00 H new ATOM 0 HA MET A 41 -3.405 10.153 4.827 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.015 9.645 3.060 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.115 10.589 4.533 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.800 7.896 5.207 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.368 7.831 4.199 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.733 10.123 8.194 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.935 10.116 6.882 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.679 8.653 7.861 1.00 0.00 H new ATOM 553 N MET A 42 -3.716 9.911 1.628 1.00 0.00 N ATOM 554 CA MET A 42 -4.110 10.578 0.385 1.00 0.00 C ATOM 555 C MET A 42 -2.951 10.592 -0.600 1.00 0.00 C ATOM 556 O MET A 42 -3.133 10.864 -1.786 1.00 0.00 O ATOM 557 CB MET A 42 -4.595 12.006 0.642 1.00 0.00 C ATOM 558 CG MET A 42 -5.652 12.104 1.730 1.00 0.00 C ATOM 559 SD MET A 42 -7.156 12.921 1.162 1.00 0.00 S ATOM 560 CE MET A 42 -6.583 14.610 1.000 1.00 0.00 C ATOM 0 H MET A 42 -3.731 8.893 1.571 1.00 0.00 H new ATOM 0 HA MET A 42 -4.938 10.013 -0.043 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.742 12.626 0.919 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.000 12.415 -0.284 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.898 11.103 2.084 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.244 12.651 2.580 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.402 15.241 0.655 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.231 14.969 1.967 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.767 14.650 0.279 1.00 0.00 H new ATOM 570 N LYS A 43 -1.759 10.289 -0.100 1.00 0.00 N ATOM 571 CA LYS A 43 -0.568 10.257 -0.932 1.00 0.00 C ATOM 572 C LYS A 43 0.692 10.168 -0.079 1.00 0.00 C ATOM 573 O LYS A 43 1.162 11.168 0.463 1.00 0.00 O ATOM 574 CB LYS A 43 -0.511 11.491 -1.830 1.00 0.00 C ATOM 575 CG LYS A 43 -0.387 11.151 -3.304 1.00 0.00 C ATOM 576 CD LYS A 43 -1.749 10.960 -3.949 1.00 0.00 C ATOM 577 CE LYS A 43 -1.669 11.071 -5.463 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.019 11.061 -6.093 1.00 0.00 N ATOM 0 H LYS A 43 -1.594 10.062 0.881 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.619 9.367 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.410 12.087 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.336 12.110 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.151 11.947 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.202 10.241 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.149 9.984 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.443 11.708 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.149 11.990 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.078 10.244 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.081 10.272 -6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.745 10.945 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.175 11.959 -6.594 1.00 0.00 H new ATOM 592 N ASN A 44 1.231 8.960 0.031 1.00 0.00 N ATOM 593 CA ASN A 44 2.436 8.722 0.812 1.00 0.00 C ATOM 594 C ASN A 44 3.008 7.342 0.502 1.00 0.00 C ATOM 595 O ASN A 44 3.560 6.675 1.378 1.00 0.00 O ATOM 596 CB ASN A 44 2.137 8.845 2.308 1.00 0.00 C ATOM 597 CG ASN A 44 1.557 7.572 2.891 1.00 0.00 C ATOM 598 OD1 ASN A 44 0.771 6.858 2.093 1.00 0.00 O flip ATOM 599 ND2 ASN A 44 1.811 7.233 4.047 1.00 0.00 N flip ATOM 0 H ASN A 44 0.849 8.126 -0.414 1.00 0.00 H new ATOM 0 HA ASN A 44 3.175 9.476 0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.055 9.099 2.839 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.438 9.666 2.469 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.420 7.811 4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.412 6.374 4.426 1.00 0.00 H new ATOM 606 N CYS A 45 2.867 6.925 -0.751 1.00 0.00 N ATOM 607 CA CYS A 45 3.360 5.627 -1.195 1.00 0.00 C ATOM 608 C CYS A 45 3.233 4.577 -0.096 1.00 0.00 C ATOM 609 O CYS A 45 4.079 4.483 0.793 1.00 0.00 O ATOM 610 CB CYS A 45 4.820 5.739 -1.652 1.00 0.00 C ATOM 611 SG CYS A 45 5.050 6.117 -3.426 1.00 0.00 S ATOM 0 H CYS A 45 2.412 7.472 -1.482 1.00 0.00 H new ATOM 0 HA CYS A 45 2.746 5.308 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.310 6.515 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.328 4.801 -1.427 1.00 0.00 H new ATOM 616 N MET A 46 2.170 3.782 -0.175 1.00 0.00 N ATOM 617 CA MET A 46 1.923 2.727 0.800 1.00 0.00 C ATOM 618 C MET A 46 1.567 1.422 0.097 1.00 0.00 C ATOM 619 O MET A 46 0.442 1.254 -0.374 1.00 0.00 O ATOM 620 CB MET A 46 0.800 3.134 1.755 1.00 0.00 C ATOM 621 CG MET A 46 1.299 3.711 3.070 1.00 0.00 C ATOM 622 SD MET A 46 2.169 2.494 4.075 1.00 0.00 S ATOM 623 CE MET A 46 2.158 3.303 5.672 1.00 0.00 C ATOM 0 H MET A 46 1.464 3.850 -0.908 1.00 0.00 H new ATOM 0 HA MET A 46 2.835 2.574 1.377 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.165 3.870 1.263 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.178 2.264 1.963 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.964 4.550 2.865 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.453 4.105 3.634 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.662 2.671 6.403 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.677 4.259 5.599 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.128 3.472 5.987 1.00 0.00 H new ATOM 633 N ASP A 47 2.548 0.520 0.027 1.00 0.00 N ATOM 634 CA ASP A 47 2.402 -0.787 -0.619 1.00 0.00 C ATOM 635 C ASP A 47 0.971 -1.068 -1.068 1.00 0.00 C ATOM 636 O ASP A 47 0.034 -1.040 -0.271 1.00 0.00 O ATOM 637 CB ASP A 47 2.879 -1.896 0.317 1.00 0.00 C ATOM 638 CG ASP A 47 1.805 -2.338 1.292 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.807 -2.940 0.844 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.962 -2.081 2.504 1.00 0.00 O ATOM 0 H ASP A 47 3.476 0.677 0.421 1.00 0.00 H new ATOM 0 HA ASP A 47 3.022 -0.766 -1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.202 -2.752 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.749 -1.547 0.874 1.00 0.00 H new ATOM 645 N ILE A 48 0.826 -1.346 -2.356 1.00 0.00 N ATOM 646 CA ILE A 48 -0.466 -1.644 -2.950 1.00 0.00 C ATOM 647 C ILE A 48 -1.022 -2.958 -2.423 1.00 0.00 C ATOM 648 O ILE A 48 -0.444 -3.572 -1.527 1.00 0.00 O ATOM 649 CB ILE A 48 -0.342 -1.746 -4.480 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.928 -2.516 -4.840 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.331 -0.362 -5.112 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.727 -3.528 -5.946 1.00 0.00 C ATOM 0 H ILE A 48 1.602 -1.371 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.142 -0.832 -2.682 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.205 -2.284 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.699 -1.808 -5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.297 -3.029 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.243 -0.457 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.258 0.157 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.515 0.207 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.669 -4.037 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.021 -4.259 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.388 -3.019 -6.848 1.00 0.00 H new ATOM 664 N ASP A 49 -2.138 -3.392 -2.996 1.00 0.00 N ATOM 665 CA ASP A 49 -2.764 -4.644 -2.597 1.00 0.00 C ATOM 666 C ASP A 49 -2.309 -5.771 -3.516 1.00 0.00 C ATOM 667 O ASP A 49 -3.043 -6.194 -4.406 1.00 0.00 O ATOM 668 CB ASP A 49 -4.287 -4.518 -2.636 1.00 0.00 C ATOM 669 CG ASP A 49 -4.983 -5.781 -2.170 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.395 -6.873 -2.320 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.117 -5.681 -1.656 1.00 0.00 O ATOM 0 H ASP A 49 -2.628 -2.894 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.461 -4.874 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.596 -3.683 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.604 -4.286 -3.653 1.00 0.00 H new ATOM 676 N GLU A 50 -1.087 -6.243 -3.300 1.00 0.00 N ATOM 677 CA GLU A 50 -0.524 -7.314 -4.113 1.00 0.00 C ATOM 678 C GLU A 50 -1.517 -8.456 -4.293 1.00 0.00 C ATOM 679 O GLU A 50 -1.470 -9.182 -5.286 1.00 0.00 O ATOM 680 CB GLU A 50 0.753 -7.844 -3.470 1.00 0.00 C ATOM 681 CG GLU A 50 2.003 -7.080 -3.872 1.00 0.00 C ATOM 682 CD GLU A 50 2.404 -6.040 -2.844 1.00 0.00 C ATOM 683 OE1 GLU A 50 2.945 -6.427 -1.788 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.178 -4.837 -3.096 1.00 0.00 O ATOM 0 H GLU A 50 -0.466 -5.900 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.296 -6.901 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.647 -7.804 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.877 -8.893 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.825 -7.782 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.833 -6.591 -4.831 1.00 0.00 H new ATOM 691 N CYS A 51 -2.413 -8.614 -3.327 1.00 0.00 N ATOM 692 CA CYS A 51 -3.415 -9.675 -3.382 1.00 0.00 C ATOM 693 C CYS A 51 -4.507 -9.329 -4.384 1.00 0.00 C ATOM 694 O CYS A 51 -5.267 -10.195 -4.818 1.00 0.00 O ATOM 695 CB CYS A 51 -4.029 -9.906 -2.001 1.00 0.00 C ATOM 696 SG CYS A 51 -5.098 -11.378 -1.905 1.00 0.00 S ATOM 0 H CYS A 51 -2.468 -8.023 -2.497 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.921 -10.591 -3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.227 -10.003 -1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.611 -9.028 -1.721 1.00 0.00 H new ATOM 701 N GLN A 52 -4.571 -8.058 -4.750 1.00 0.00 N ATOM 702 CA GLN A 52 -5.559 -7.581 -5.707 1.00 0.00 C ATOM 703 C GLN A 52 -4.912 -7.366 -7.068 1.00 0.00 C ATOM 704 O GLN A 52 -5.582 -7.387 -8.101 1.00 0.00 O ATOM 705 CB GLN A 52 -6.184 -6.277 -5.212 1.00 0.00 C ATOM 706 CG GLN A 52 -7.421 -6.484 -4.354 1.00 0.00 C ATOM 707 CD GLN A 52 -8.451 -5.388 -4.542 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.122 -5.322 -5.572 1.00 0.00 O ATOM 709 NE2 GLN A 52 -8.582 -4.520 -3.546 1.00 0.00 N ATOM 0 H GLN A 52 -3.946 -7.334 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.342 -8.333 -5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.442 -5.723 -4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.447 -5.660 -6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.871 -7.446 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.128 -6.526 -3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.005 -4.612 -2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.260 -3.761 -3.617 1.00 0.00 H new ATOM 718 N ARG A 53 -3.599 -7.164 -7.056 1.00 0.00 N ATOM 719 CA ARG A 53 -2.842 -6.948 -8.282 1.00 0.00 C ATOM 720 C ARG A 53 -2.989 -8.138 -9.223 1.00 0.00 C ATOM 721 O ARG A 53 -3.190 -7.973 -10.426 1.00 0.00 O ATOM 722 CB ARG A 53 -1.367 -6.717 -7.949 1.00 0.00 C ATOM 723 CG ARG A 53 -0.454 -6.757 -9.163 1.00 0.00 C ATOM 724 CD ARG A 53 0.798 -7.575 -8.888 1.00 0.00 C ATOM 725 NE ARG A 53 1.317 -8.206 -10.097 1.00 0.00 N ATOM 726 CZ ARG A 53 1.796 -7.528 -11.135 1.00 0.00 C ATOM 727 NH1 ARG A 53 1.822 -6.203 -11.109 1.00 0.00 N ATOM 728 NH2 ARG A 53 2.252 -8.175 -12.199 1.00 0.00 N ATOM 0 H ARG A 53 -3.035 -7.145 -6.206 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.237 -6.065 -8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.262 -5.750 -7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.042 -7.474 -7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.991 -7.184 -10.010 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.173 -5.742 -9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.565 -6.930 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.574 -8.342 -8.147 1.00 0.00 H new ATOM 0 HE ARG A 53 1.312 -9.225 -10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.474 -5.702 -10.291 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.190 -5.684 -11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.235 -9.195 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.619 -7.653 -12.995 1.00 0.00 H new ATOM 742 N ASP A 54 -2.890 -9.338 -8.662 1.00 0.00 N ATOM 743 CA ASP A 54 -3.015 -10.560 -9.441 1.00 0.00 C ATOM 744 C ASP A 54 -4.406 -11.160 -9.280 1.00 0.00 C ATOM 745 O ASP A 54 -5.094 -10.909 -8.290 1.00 0.00 O ATOM 746 CB ASP A 54 -1.954 -11.576 -9.013 1.00 0.00 C ATOM 747 CG ASP A 54 -0.889 -11.779 -10.073 1.00 0.00 C ATOM 748 OD1 ASP A 54 -1.202 -12.383 -11.121 1.00 0.00 O ATOM 749 OD2 ASP A 54 0.258 -11.335 -9.856 1.00 0.00 O ATOM 0 H ASP A 54 -2.723 -9.489 -7.667 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.863 -10.312 -10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.484 -11.239 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.435 -12.530 -8.797 1.00 0.00 H new ATOM 754 N PRO A 55 -4.839 -11.955 -10.264 1.00 0.00 N ATOM 755 CA PRO A 55 -6.145 -12.593 -10.262 1.00 0.00 C ATOM 756 C PRO A 55 -6.113 -13.999 -9.673 1.00 0.00 C ATOM 757 O PRO A 55 -7.124 -14.702 -9.668 1.00 0.00 O ATOM 758 CB PRO A 55 -6.481 -12.639 -11.750 1.00 0.00 C ATOM 759 CG PRO A 55 -5.159 -12.701 -12.460 1.00 0.00 C ATOM 760 CD PRO A 55 -4.088 -12.291 -11.475 1.00 0.00 C ATOM 0 HA PRO A 55 -6.872 -12.060 -9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.094 -13.508 -11.987 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.047 -11.758 -12.052 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.971 -13.708 -12.831 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.158 -12.037 -13.325 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.379 -13.099 -11.295 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.514 -11.439 -11.839 1.00 0.00 H new ATOM 768 N LEU A 56 -4.947 -14.408 -9.183 1.00 0.00 N ATOM 769 CA LEU A 56 -4.792 -15.734 -8.597 1.00 0.00 C ATOM 770 C LEU A 56 -3.832 -15.708 -7.410 1.00 0.00 C ATOM 771 O LEU A 56 -3.422 -16.756 -6.911 1.00 0.00 O ATOM 772 CB LEU A 56 -4.293 -16.721 -9.649 1.00 0.00 C ATOM 773 CG LEU A 56 -5.013 -18.070 -9.654 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.874 -18.208 -10.899 1.00 0.00 C ATOM 775 CD2 LEU A 56 -4.008 -19.205 -9.564 1.00 0.00 C ATOM 0 H LEU A 56 -4.098 -13.842 -9.180 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.769 -16.056 -8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.398 -16.265 -10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.229 -16.893 -9.489 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.665 -18.121 -8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.379 -19.174 -10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.616 -17.410 -10.918 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.244 -18.139 -11.786 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.535 -20.159 -9.569 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.331 -19.160 -10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.435 -19.111 -8.641 1.00 0.00 H new ATOM 787 N LEU A 57 -3.478 -14.510 -6.956 1.00 0.00 N ATOM 788 CA LEU A 57 -2.573 -14.367 -5.822 1.00 0.00 C ATOM 789 C LEU A 57 -3.133 -15.088 -4.607 1.00 0.00 C ATOM 790 O LEU A 57 -4.214 -14.757 -4.120 1.00 0.00 O ATOM 791 CB LEU A 57 -2.347 -12.890 -5.495 1.00 0.00 C ATOM 792 CG LEU A 57 -1.044 -12.589 -4.752 1.00 0.00 C ATOM 793 CD1 LEU A 57 -0.289 -11.459 -5.435 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.328 -12.243 -3.299 1.00 0.00 C ATOM 0 H LEU A 57 -3.802 -13.629 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.616 -14.814 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.358 -12.321 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.183 -12.534 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.419 -13.481 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.635 -11.259 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.053 -11.746 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.907 -10.561 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.390 -12.032 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.973 -11.365 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.825 -13.084 -2.815 1.00 0.00 H new ATOM 806 N CYS A 58 -2.400 -16.085 -4.125 1.00 0.00 N ATOM 807 CA CYS A 58 -2.846 -16.854 -2.976 1.00 0.00 C ATOM 808 C CYS A 58 -4.279 -17.317 -3.195 1.00 0.00 C ATOM 809 O CYS A 58 -5.017 -17.588 -2.248 1.00 0.00 O ATOM 810 CB CYS A 58 -2.738 -16.012 -1.705 1.00 0.00 C ATOM 811 SG CYS A 58 -1.105 -15.239 -1.482 1.00 0.00 S ATOM 0 H CYS A 58 -1.502 -16.376 -4.510 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.209 -17.731 -2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.500 -15.233 -1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.954 -16.642 -0.842 1.00 0.00 H new ATOM 816 N ARG A 59 -4.656 -17.403 -4.467 1.00 0.00 N ATOM 817 CA ARG A 59 -5.992 -17.830 -4.855 1.00 0.00 C ATOM 818 C ARG A 59 -6.476 -18.970 -3.966 1.00 0.00 C ATOM 819 O ARG A 59 -7.675 -19.124 -3.731 1.00 0.00 O ATOM 820 CB ARG A 59 -5.986 -18.261 -6.322 1.00 0.00 C ATOM 821 CG ARG A 59 -7.354 -18.210 -6.981 1.00 0.00 C ATOM 822 CD ARG A 59 -7.736 -19.555 -7.578 1.00 0.00 C ATOM 823 NE ARG A 59 -9.173 -19.797 -7.509 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.076 -19.053 -8.140 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.690 -18.027 -8.887 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.367 -19.335 -8.027 1.00 0.00 N ATOM 0 H ARG A 59 -4.046 -17.179 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.679 -16.993 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.301 -17.619 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.597 -19.277 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.102 -17.911 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.354 -17.451 -7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.411 -19.595 -8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.209 -20.349 -7.049 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.503 -20.580 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.698 -17.807 -8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.385 -17.458 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.669 -20.124 -7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.058 -18.763 -8.512 1.00 0.00 H new ATOM 840 N GLY A 60 -5.532 -19.758 -3.465 1.00 0.00 N ATOM 841 CA GLY A 60 -5.872 -20.869 -2.598 1.00 0.00 C ATOM 842 C GLY A 60 -4.978 -20.928 -1.375 1.00 0.00 C ATOM 843 O GLY A 60 -4.753 -21.997 -0.811 1.00 0.00 O ATOM 0 H GLY A 60 -4.534 -19.646 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.912 -20.779 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.787 -21.802 -3.154 1.00 0.00 H new ATOM 847 N GLY A 61 -4.463 -19.770 -0.971 1.00 0.00 N ATOM 848 CA GLY A 61 -3.588 -19.710 0.184 1.00 0.00 C ATOM 849 C GLY A 61 -3.900 -18.540 1.099 1.00 0.00 C ATOM 850 O GLY A 61 -5.038 -18.367 1.535 1.00 0.00 O ATOM 0 H GLY A 61 -4.637 -18.873 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.674 -20.639 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.554 -19.636 -0.153 1.00 0.00 H new ATOM 854 N VAL A 62 -2.881 -17.736 1.390 1.00 0.00 N ATOM 855 CA VAL A 62 -3.040 -16.576 2.259 1.00 0.00 C ATOM 856 C VAL A 62 -2.294 -15.372 1.697 1.00 0.00 C ATOM 857 O VAL A 62 -1.154 -15.490 1.246 1.00 0.00 O ATOM 858 CB VAL A 62 -2.529 -16.867 3.684 1.00 0.00 C ATOM 859 CG1 VAL A 62 -2.412 -15.579 4.487 1.00 0.00 C ATOM 860 CG2 VAL A 62 -3.442 -17.860 4.386 1.00 0.00 C ATOM 0 H VAL A 62 -1.934 -17.868 1.035 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.106 -16.353 2.305 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.536 -17.310 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.050 -15.807 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.713 -14.905 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.390 -15.102 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.065 -18.053 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.449 -17.447 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.467 -18.793 3.822 1.00 0.00 H new ATOM 870 N CYS A 63 -2.945 -14.217 1.722 1.00 0.00 N ATOM 871 CA CYS A 63 -2.347 -12.991 1.209 1.00 0.00 C ATOM 872 C CYS A 63 -1.726 -12.161 2.326 1.00 0.00 C ATOM 873 O CYS A 63 -2.399 -11.336 2.945 1.00 0.00 O ATOM 874 CB CYS A 63 -3.397 -12.156 0.477 1.00 0.00 C ATOM 875 SG CYS A 63 -3.876 -12.814 -1.152 1.00 0.00 S ATOM 0 H CYS A 63 -3.888 -14.103 2.092 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.557 -13.277 0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.287 -12.083 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.014 -11.144 0.349 1.00 0.00 H new ATOM 880 N HIS A 64 -0.436 -12.369 2.572 1.00 0.00 N ATOM 881 CA HIS A 64 0.267 -11.620 3.606 1.00 0.00 C ATOM 882 C HIS A 64 0.845 -10.334 3.026 1.00 0.00 C ATOM 883 O HIS A 64 2.017 -10.020 3.224 1.00 0.00 O ATOM 884 CB HIS A 64 1.388 -12.465 4.215 1.00 0.00 C ATOM 885 CG HIS A 64 0.895 -13.659 4.968 1.00 0.00 C ATOM 886 ND1 HIS A 64 0.304 -13.758 6.182 1.00 0.00 N flip ATOM 887 CD2 HIS A 64 0.988 -14.944 4.483 1.00 0.00 C flip ATOM 888 CE1 HIS A 64 0.053 -15.090 6.403 1.00 0.00 C flip ATOM 889 NE2 HIS A 64 0.474 -15.783 5.362 1.00 0.00 N flip ATOM 0 H HIS A 64 0.140 -13.046 2.072 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.447 -11.368 4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.055 -12.797 3.419 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.979 -11.841 4.886 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.086 -12.988 6.814 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.415 -15.222 3.531 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.413 -15.503 7.285 1.00 0.00 H new ATOM 898 N ASN A 65 0.009 -9.596 2.303 1.00 0.00 N ATOM 899 CA ASN A 65 0.427 -8.342 1.687 1.00 0.00 C ATOM 900 C ASN A 65 1.285 -7.521 2.644 1.00 0.00 C ATOM 901 O ASN A 65 0.824 -7.101 3.704 1.00 0.00 O ATOM 902 CB ASN A 65 -0.796 -7.532 1.256 1.00 0.00 C ATOM 903 CG ASN A 65 -0.432 -6.131 0.809 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.205 -5.377 1.545 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.836 -5.776 -0.404 1.00 0.00 N ATOM 0 H ASN A 65 -0.965 -9.846 2.129 1.00 0.00 H new ATOM 0 HA ASN A 65 1.026 -8.580 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.303 -8.050 0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.501 -7.474 2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.621 -4.845 -0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.362 -6.434 -0.979 1.00 0.00 H new ATOM 912 N THR A 66 2.537 -7.297 2.259 1.00 0.00 N ATOM 913 CA THR A 66 3.465 -6.525 3.076 1.00 0.00 C ATOM 914 C THR A 66 3.953 -5.288 2.329 1.00 0.00 C ATOM 915 O THR A 66 3.513 -5.013 1.212 1.00 0.00 O ATOM 916 CB THR A 66 4.681 -7.373 3.497 1.00 0.00 C ATOM 917 OG1 THR A 66 5.667 -7.364 2.457 1.00 0.00 O ATOM 918 CG2 THR A 66 4.263 -8.805 3.795 1.00 0.00 C ATOM 0 H THR A 66 2.933 -7.640 1.384 1.00 0.00 H new ATOM 0 HA THR A 66 2.922 -6.216 3.969 1.00 0.00 H new ATOM 0 HB THR A 66 5.105 -6.939 4.403 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.222 -7.340 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.137 -9.385 4.090 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.534 -8.810 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.818 -9.247 2.904 1.00 0.00 H new ATOM 926 N GLU A 67 4.863 -4.545 2.951 1.00 0.00 N ATOM 927 CA GLU A 67 5.408 -3.338 2.342 1.00 0.00 C ATOM 928 C GLU A 67 6.187 -3.669 1.073 1.00 0.00 C ATOM 929 O GLU A 67 6.987 -4.604 1.051 1.00 0.00 O ATOM 930 CB GLU A 67 6.313 -2.605 3.335 1.00 0.00 C ATOM 931 CG GLU A 67 7.743 -3.121 3.348 1.00 0.00 C ATOM 932 CD GLU A 67 8.531 -2.621 4.542 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.088 -2.853 5.686 1.00 0.00 O ATOM 934 OE2 GLU A 67 9.592 -1.996 4.333 1.00 0.00 O ATOM 0 H GLU A 67 5.238 -4.758 3.875 1.00 0.00 H new ATOM 0 HA GLU A 67 4.574 -2.690 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.321 -1.543 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.892 -2.699 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.732 -4.211 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.245 -2.813 2.431 1.00 0.00 H new ATOM 941 N GLY A 68 5.949 -2.895 0.018 1.00 0.00 N ATOM 942 CA GLY A 68 6.635 -3.119 -1.241 1.00 0.00 C ATOM 943 C GLY A 68 6.876 -4.589 -1.516 1.00 0.00 C ATOM 944 O GLY A 68 7.908 -4.962 -2.074 1.00 0.00 O ATOM 0 H GLY A 68 5.292 -2.115 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.046 -2.692 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.590 -2.593 -1.229 1.00 0.00 H new ATOM 948 N SER A 69 5.922 -5.426 -1.124 1.00 0.00 N ATOM 949 CA SER A 69 6.032 -6.864 -1.328 1.00 0.00 C ATOM 950 C SER A 69 4.907 -7.600 -0.611 1.00 0.00 C ATOM 951 O SER A 69 4.327 -7.086 0.346 1.00 0.00 O ATOM 952 CB SER A 69 7.386 -7.368 -0.827 1.00 0.00 C ATOM 953 OG SER A 69 7.973 -8.264 -1.755 1.00 0.00 O ATOM 0 H SER A 69 5.062 -5.131 -0.662 1.00 0.00 H new ATOM 0 HA SER A 69 5.951 -7.063 -2.397 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.054 -6.522 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.259 -7.867 0.134 1.00 0.00 H new ATOM 0 HG SER A 69 8.838 -8.570 -1.412 1.00 0.00 H new ATOM 959 N TYR A 70 4.601 -8.806 -1.077 1.00 0.00 N ATOM 960 CA TYR A 70 3.543 -9.608 -0.475 1.00 0.00 C ATOM 961 C TYR A 70 4.007 -11.043 -0.259 1.00 0.00 C ATOM 962 O TYR A 70 4.782 -11.581 -1.047 1.00 0.00 O ATOM 963 CB TYR A 70 2.288 -9.567 -1.351 1.00 0.00 C ATOM 964 CG TYR A 70 2.169 -10.714 -2.331 1.00 0.00 C ATOM 965 CD1 TYR A 70 1.616 -11.928 -1.946 1.00 0.00 C ATOM 966 CD2 TYR A 70 2.603 -10.576 -3.643 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.501 -12.975 -2.842 1.00 0.00 C ATOM 968 CE2 TYR A 70 2.491 -11.616 -4.544 1.00 0.00 C ATOM 969 CZ TYR A 70 1.940 -12.814 -4.139 1.00 0.00 C ATOM 970 OH TYR A 70 1.826 -13.853 -5.034 1.00 0.00 O ATOM 0 H TYR A 70 5.069 -9.249 -1.868 1.00 0.00 H new ATOM 0 HA TYR A 70 3.299 -9.186 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.410 -9.565 -0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.278 -8.629 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.270 -12.057 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.035 -9.640 -3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.070 -13.914 -2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.833 -11.492 -5.561 1.00 0.00 H new ATOM 0 HH TYR A 70 2.181 -13.575 -5.904 1.00 0.00 H new ATOM 980 N ARG A 71 3.530 -11.655 0.820 1.00 0.00 N ATOM 981 CA ARG A 71 3.905 -13.028 1.138 1.00 0.00 C ATOM 982 C ARG A 71 2.731 -13.976 0.939 1.00 0.00 C ATOM 983 O ARG A 71 1.733 -13.907 1.657 1.00 0.00 O ATOM 984 CB ARG A 71 4.413 -13.129 2.578 1.00 0.00 C ATOM 985 CG ARG A 71 4.634 -11.784 3.246 1.00 0.00 C ATOM 986 CD ARG A 71 5.765 -11.015 2.583 1.00 0.00 C ATOM 987 NE ARG A 71 6.856 -11.893 2.169 1.00 0.00 N ATOM 988 CZ ARG A 71 7.766 -12.380 3.007 1.00 0.00 C ATOM 989 NH1 ARG A 71 7.715 -12.076 4.296 1.00 0.00 N ATOM 990 NH2 ARG A 71 8.728 -13.173 2.554 1.00 0.00 N ATOM 0 H ARG A 71 2.887 -11.225 1.485 1.00 0.00 H new ATOM 0 HA ARG A 71 4.705 -13.318 0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.697 -13.703 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.350 -13.686 2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.716 -11.197 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.863 -11.933 4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.380 -10.481 1.714 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.147 -10.264 3.275 1.00 0.00 H new ATOM 0 HE ARG A 71 6.924 -12.146 1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.976 -11.467 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.415 -12.451 4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.770 -13.409 1.563 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.426 -13.547 3.197 1.00 0.00 H new ATOM 1004 N CYS A 72 2.864 -14.869 -0.032 1.00 0.00 N ATOM 1005 CA CYS A 72 1.820 -15.842 -0.316 1.00 0.00 C ATOM 1006 C CYS A 72 2.047 -17.101 0.511 1.00 0.00 C ATOM 1007 O CYS A 72 3.167 -17.602 0.604 1.00 0.00 O ATOM 1008 CB CYS A 72 1.799 -16.175 -1.813 1.00 0.00 C ATOM 1009 SG CYS A 72 0.139 -16.468 -2.517 1.00 0.00 S ATOM 0 H CYS A 72 3.684 -14.939 -0.635 1.00 0.00 H new ATOM 0 HA CYS A 72 0.853 -15.417 -0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.269 -15.356 -2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.410 -17.062 -1.981 1.00 0.00 H new ATOM 1014 N GLU A 73 0.979 -17.598 1.123 1.00 0.00 N ATOM 1015 CA GLU A 73 1.066 -18.786 1.960 1.00 0.00 C ATOM 1016 C GLU A 73 -0.030 -19.792 1.606 1.00 0.00 C ATOM 1017 O GLU A 73 -1.209 -19.448 1.566 1.00 0.00 O ATOM 1018 CB GLU A 73 0.963 -18.380 3.431 1.00 0.00 C ATOM 1019 CG GLU A 73 2.173 -18.778 4.259 1.00 0.00 C ATOM 1020 CD GLU A 73 2.586 -17.703 5.246 1.00 0.00 C ATOM 1021 OE1 GLU A 73 3.376 -16.816 4.860 1.00 0.00 O ATOM 1022 OE2 GLU A 73 2.120 -17.750 6.403 1.00 0.00 O ATOM 0 H GLU A 73 0.044 -17.197 1.055 1.00 0.00 H new ATOM 0 HA GLU A 73 2.027 -19.269 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.831 -17.300 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.072 -18.835 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.951 -19.697 4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.008 -18.995 3.593 1.00 0.00 H new ATOM 1029 N CYS A 74 0.371 -21.032 1.340 1.00 0.00 N ATOM 1030 CA CYS A 74 -0.574 -22.079 0.978 1.00 0.00 C ATOM 1031 C CYS A 74 -1.373 -22.580 2.190 1.00 0.00 C ATOM 1032 O CYS A 74 -2.535 -22.962 2.049 1.00 0.00 O ATOM 1033 CB CYS A 74 0.149 -23.248 0.302 1.00 0.00 C ATOM 1034 SG CYS A 74 -0.317 -23.512 -1.442 1.00 0.00 S ATOM 0 H CYS A 74 1.345 -21.334 1.369 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.283 -21.642 0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.224 -23.075 0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.056 -24.160 0.863 1.00 0.00 H new ATOM 1039 N PRO A 75 -0.763 -22.611 3.401 1.00 0.00 N ATOM 1040 CA PRO A 75 0.624 -22.170 3.640 1.00 0.00 C ATOM 1041 C PRO A 75 1.653 -23.126 3.045 1.00 0.00 C ATOM 1042 O PRO A 75 1.303 -24.087 2.363 1.00 0.00 O ATOM 1043 CB PRO A 75 0.742 -22.157 5.177 1.00 0.00 C ATOM 1044 CG PRO A 75 -0.658 -22.286 5.684 1.00 0.00 C ATOM 1045 CD PRO A 75 -1.399 -23.058 4.639 1.00 0.00 C ATOM 0 HA PRO A 75 0.823 -21.206 3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.365 -22.979 5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.203 -21.234 5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.681 -22.804 6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.109 -21.306 5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.297 -24.134 4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.466 -22.835 4.650 1.00 0.00 H new ATOM 1053 N PRO A 76 2.943 -22.883 3.330 1.00 0.00 N ATOM 1054 CA PRO A 76 4.037 -23.723 2.843 1.00 0.00 C ATOM 1055 C PRO A 76 3.711 -25.211 2.902 1.00 0.00 C ATOM 1056 O PRO A 76 2.666 -25.613 3.413 1.00 0.00 O ATOM 1057 CB PRO A 76 5.174 -23.381 3.801 1.00 0.00 C ATOM 1058 CG PRO A 76 4.930 -21.957 4.167 1.00 0.00 C ATOM 1059 CD PRO A 76 3.434 -21.771 4.167 1.00 0.00 C ATOM 0 HA PRO A 76 4.264 -23.536 1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.161 -24.026 4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.147 -23.509 3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.350 -21.730 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.405 -21.285 3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.025 -21.818 5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.151 -20.803 3.753 1.00 0.00 H new ATOM 1067 N GLY A 77 4.608 -26.023 2.358 1.00 0.00 N ATOM 1068 CA GLY A 77 4.390 -27.455 2.336 1.00 0.00 C ATOM 1069 C GLY A 77 3.758 -27.885 1.031 1.00 0.00 C ATOM 1070 O GLY A 77 3.822 -29.053 0.649 1.00 0.00 O ATOM 0 H GLY A 77 5.482 -25.715 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.339 -27.973 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.747 -27.742 3.168 1.00 0.00 H new ATOM 1074 N HIS A 78 3.158 -26.919 0.345 1.00 0.00 N ATOM 1075 CA HIS A 78 2.513 -27.165 -0.936 1.00 0.00 C ATOM 1076 C HIS A 78 3.429 -26.703 -2.075 1.00 0.00 C ATOM 1077 O HIS A 78 4.588 -27.111 -2.138 1.00 0.00 O ATOM 1078 CB HIS A 78 1.160 -26.446 -0.982 1.00 0.00 C ATOM 1079 CG HIS A 78 0.228 -26.991 -2.019 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -0.962 -26.528 -2.472 1.00 0.00 N flip ATOM 1081 CD2 HIS A 78 0.476 -28.153 -2.719 1.00 0.00 C flip ATOM 1082 CE1 HIS A 78 -1.403 -27.409 -3.428 1.00 0.00 C flip ATOM 1083 NE2 HIS A 78 -0.518 -28.380 -3.558 1.00 0.00 N flip ATOM 0 H HIS A 78 3.106 -25.950 0.660 1.00 0.00 H new ATOM 0 HA HIS A 78 2.333 -28.233 -1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.685 -26.520 -0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.327 -25.387 -1.176 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -1.441 -25.683 -2.161 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.347 -28.780 -2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.325 -27.322 -3.984 1.00 0.00 H new ATOM 1092 N GLN A 79 2.927 -25.846 -2.966 1.00 0.00 N ATOM 1093 CA GLN A 79 3.737 -25.348 -4.070 1.00 0.00 C ATOM 1094 C GLN A 79 3.271 -23.957 -4.482 1.00 0.00 C ATOM 1095 O GLN A 79 2.756 -23.761 -5.583 1.00 0.00 O ATOM 1096 CB GLN A 79 3.677 -26.310 -5.259 1.00 0.00 C ATOM 1097 CG GLN A 79 4.452 -25.827 -6.475 1.00 0.00 C ATOM 1098 CD GLN A 79 4.013 -26.512 -7.754 1.00 0.00 C ATOM 1099 OE1 GLN A 79 4.229 -25.848 -8.884 1.00 0.00 O flip ATOM 1100 NE2 GLN A 79 3.485 -27.623 -7.727 1.00 0.00 N flip ATOM 0 H GLN A 79 1.972 -25.487 -2.943 1.00 0.00 H new ATOM 0 HA GLN A 79 4.773 -25.282 -3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.069 -27.279 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.635 -26.462 -5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.322 -24.750 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.516 -26.005 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.339 -28.097 -6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.194 -28.070 -8.596 1.00 0.00 H new ATOM 1109 N LEU A 80 3.445 -22.997 -3.582 1.00 0.00 N ATOM 1110 CA LEU A 80 3.035 -21.624 -3.839 1.00 0.00 C ATOM 1111 C LEU A 80 4.167 -20.818 -4.462 1.00 0.00 C ATOM 1112 O LEU A 80 5.254 -20.710 -3.894 1.00 0.00 O ATOM 1113 CB LEU A 80 2.572 -20.963 -2.539 1.00 0.00 C ATOM 1114 CG LEU A 80 2.130 -19.500 -2.652 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.783 -19.133 -4.088 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.943 -19.245 -1.736 1.00 0.00 C ATOM 0 H LEU A 80 3.868 -23.146 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 80 2.206 -21.645 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.742 -21.543 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.385 -21.022 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 80 2.963 -18.869 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.474 -18.089 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.657 -19.280 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.969 -19.768 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.634 -18.203 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.115 -19.893 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.227 -19.456 -0.705 1.00 0.00 H new ATOM 1128 N SER A 81 3.899 -20.251 -5.630 1.00 0.00 N ATOM 1129 CA SER A 81 4.887 -19.448 -6.333 1.00 0.00 C ATOM 1130 C SER A 81 5.309 -18.249 -5.489 1.00 0.00 C ATOM 1131 O SER A 81 4.473 -17.581 -4.879 1.00 0.00 O ATOM 1132 CB SER A 81 4.313 -18.971 -7.666 1.00 0.00 C ATOM 1133 OG SER A 81 3.151 -18.186 -7.466 1.00 0.00 O ATOM 0 H SER A 81 3.003 -20.333 -6.111 1.00 0.00 H new ATOM 0 HA SER A 81 5.766 -20.065 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.063 -18.388 -8.201 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.072 -19.831 -8.291 1.00 0.00 H new ATOM 0 HG SER A 81 2.431 -18.514 -8.044 1.00 0.00 H new ATOM 1139 N PRO A 82 6.617 -17.964 -5.444 1.00 0.00 N ATOM 1140 CA PRO A 82 7.158 -16.845 -4.672 1.00 0.00 C ATOM 1141 C PRO A 82 6.355 -15.563 -4.860 1.00 0.00 C ATOM 1142 O PRO A 82 5.729 -15.069 -3.921 1.00 0.00 O ATOM 1143 CB PRO A 82 8.566 -16.682 -5.241 1.00 0.00 C ATOM 1144 CG PRO A 82 8.947 -18.051 -5.690 1.00 0.00 C ATOM 1145 CD PRO A 82 7.672 -18.717 -6.145 1.00 0.00 C ATOM 0 HA PRO A 82 7.131 -17.037 -3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.580 -15.974 -6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.257 -16.304 -4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.673 -18.006 -6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.410 -18.612 -4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.554 -18.659 -7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.655 -19.774 -5.878 1.00 0.00 H new ATOM 1153 N ASN A 83 6.378 -15.025 -6.075 1.00 0.00 N ATOM 1154 CA ASN A 83 5.652 -13.796 -6.376 1.00 0.00 C ATOM 1155 C ASN A 83 4.944 -13.889 -7.723 1.00 0.00 C ATOM 1156 O ASN A 83 4.924 -12.927 -8.491 1.00 0.00 O ATOM 1157 CB ASN A 83 6.604 -12.600 -6.366 1.00 0.00 C ATOM 1158 CG ASN A 83 6.953 -12.153 -4.960 1.00 0.00 C ATOM 1159 OD1 ASN A 83 8.127 -12.051 -4.603 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.934 -11.884 -4.153 1.00 0.00 N ATOM 0 H ASN A 83 6.889 -15.419 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 83 4.896 -13.656 -5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.518 -12.862 -6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.147 -11.770 -6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.109 -11.579 -3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.976 -11.982 -4.491 1.00 0.00 H new ATOM 1167 N ILE A 84 4.352 -15.046 -8.000 1.00 0.00 N ATOM 1168 CA ILE A 84 3.632 -15.251 -9.251 1.00 0.00 C ATOM 1169 C ILE A 84 2.127 -15.246 -9.007 1.00 0.00 C ATOM 1170 O ILE A 84 1.335 -15.112 -9.939 1.00 0.00 O ATOM 1171 CB ILE A 84 4.035 -16.569 -9.940 1.00 0.00 C ATOM 1172 CG1 ILE A 84 5.537 -16.578 -10.236 1.00 0.00 C ATOM 1173 CG2 ILE A 84 3.237 -16.762 -11.220 1.00 0.00 C ATOM 1174 CD1 ILE A 84 6.401 -16.424 -9.003 1.00 0.00 C ATOM 0 H ILE A 84 4.357 -15.854 -7.377 1.00 0.00 H new ATOM 0 HA ILE A 84 3.900 -14.427 -9.912 1.00 0.00 H new ATOM 0 HB ILE A 84 3.812 -17.397 -9.267 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.794 -17.512 -10.735 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.766 -15.771 -10.932 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.533 -17.697 -11.696 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.173 -16.795 -10.984 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.432 -15.932 -11.899 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.452 -16.440 -9.291 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.173 -15.477 -8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 84 6.201 -17.245 -8.314 1.00 0.00 H new ATOM 1186 N SER A 85 1.744 -15.370 -7.738 1.00 0.00 N ATOM 1187 CA SER A 85 0.337 -15.358 -7.350 1.00 0.00 C ATOM 1188 C SER A 85 -0.417 -16.576 -7.882 1.00 0.00 C ATOM 1189 O SER A 85 -0.992 -16.524 -8.969 1.00 0.00 O ATOM 1190 CB SER A 85 -0.331 -14.074 -7.855 1.00 0.00 C ATOM 1191 OG SER A 85 0.582 -13.268 -8.579 1.00 0.00 O ATOM 0 H SER A 85 2.392 -15.480 -6.958 1.00 0.00 H new ATOM 0 HA SER A 85 0.297 -15.395 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.178 -14.329 -8.492 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.726 -13.510 -7.010 1.00 0.00 H new ATOM 0 HG SER A 85 0.699 -13.635 -9.480 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.428 -17.663 -7.102 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.134 -18.887 -7.495 1.00 0.00 C ATOM 1199 C ALA A 86 -0.549 -20.130 -6.824 1.00 0.00 C ATOM 1200 O ALA A 86 0.388 -20.739 -7.341 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.099 -19.057 -9.007 1.00 0.00 C ATOM 0 H ALA A 86 0.042 -17.720 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.166 -18.782 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.627 -19.970 -9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.581 -18.202 -9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.064 -19.121 -9.342 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.118 -20.519 -5.683 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.659 -21.707 -4.970 1.00 0.00 C ATOM 1209 C CYS A 87 -0.676 -22.918 -5.896 1.00 0.00 C ATOM 1210 O CYS A 87 -1.365 -22.915 -6.916 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.551 -21.974 -3.754 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.745 -21.659 -2.151 1.00 0.00 S ATOM 0 H CYS A 87 -1.894 -20.030 -5.236 1.00 0.00 H new ATOM 0 HA CYS A 87 0.362 -21.533 -4.631 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.442 -21.351 -3.828 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.884 -23.012 -3.783 1.00 0.00 H new ATOM 1217 N ILE A 88 0.078 -23.954 -5.543 1.00 0.00 N ATOM 1218 CA ILE A 88 0.130 -25.161 -6.360 1.00 0.00 C ATOM 1219 C ILE A 88 0.327 -26.403 -5.499 1.00 0.00 C ATOM 1220 O ILE A 88 -0.089 -27.497 -5.937 1.00 0.00 O ATOM 1221 CB ILE A 88 1.258 -25.084 -7.406 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.317 -23.687 -8.024 1.00 0.00 C ATOM 1223 CG2 ILE A 88 1.054 -26.138 -8.484 1.00 0.00 C ATOM 1224 CD1 ILE A 88 2.059 -23.640 -9.342 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.895 -26.273 -4.395 1.00 0.00 O ATOM 0 H ILE A 88 0.657 -23.983 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.827 -25.234 -6.877 1.00 0.00 H new ATOM 0 HB ILE A 88 2.208 -25.280 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.301 -23.322 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.798 -23.007 -7.321 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.859 -26.071 -9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.058 -27.129 -8.030 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.098 -25.971 -8.980 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.061 -22.618 -9.722 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.086 -23.974 -9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.565 -24.294 -10.061 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -2.886 21.173 -10.148 1.00 0.00 CA HETATM 1239 CA CA A 102 1.618 -4.779 -0.555 1.00 0.00 CA