USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.515 K(o=1.7,f=-14!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 34 ASN : amide:sc= -0.681 K(o=0.54,f=-0.5!) USER MOD Set 2.2: A 54 TYR OH : rot 46:sc= 1.22 USER MOD Set 3.1: A 5 HIS : no HD1:sc= -1.95! X(o=-2!,f=-1.9) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 170:sc= 0.673 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= 1.3 (180deg=1.09) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.012 (180deg=-0.203) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -169:sc= -0.429 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 44 THR OG1 : rot -153:sc= -0.548! USER MOD Single : A 46 HIS : no HD1:sc= -2.64 K(o=-2.6,f=-8.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.774 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.09) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.15) USER MOD Single : A 85 GLN : amide:sc= -2.37! C(o=-2.4!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 12.440 8.623 -9.304 1.00 0.00 N ATOM 2 CA GLU A 2 11.862 9.820 -8.709 1.00 0.00 C ATOM 3 C GLU A 2 11.595 9.577 -7.218 1.00 0.00 C ATOM 4 O GLU A 2 11.444 8.428 -6.789 1.00 0.00 O ATOM 5 CB GLU A 2 10.558 10.202 -9.453 1.00 0.00 C ATOM 6 CG GLU A 2 9.876 11.463 -8.944 1.00 0.00 C ATOM 7 CD GLU A 2 10.775 12.674 -8.997 1.00 0.00 C ATOM 8 OE1 GLU A 2 11.605 12.851 -8.087 1.00 0.00 O ATOM 9 OE2 GLU A 2 10.660 13.482 -9.941 1.00 0.00 O ATOM 0 HA GLU A 2 12.562 10.650 -8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.785 10.331 -10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.857 9.371 -9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.982 11.653 -9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.548 11.304 -7.917 1.00 0.00 H new ATOM 16 N LEU A 3 11.571 10.648 -6.441 1.00 0.00 N ATOM 17 CA LEU A 3 11.267 10.590 -5.033 1.00 0.00 C ATOM 18 C LEU A 3 10.168 11.577 -4.695 1.00 0.00 C ATOM 19 O LEU A 3 10.352 12.806 -4.777 1.00 0.00 O ATOM 20 CB LEU A 3 12.500 10.829 -4.153 1.00 0.00 C ATOM 21 CG LEU A 3 13.565 9.728 -4.144 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.728 10.136 -3.263 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.979 8.404 -3.657 1.00 0.00 C ATOM 0 H LEU A 3 11.765 11.590 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 3 10.921 9.579 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.973 11.757 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.162 10.983 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 3 13.920 9.589 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.479 9.346 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.169 11.057 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.374 10.299 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.756 7.639 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.595 8.527 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.168 8.100 -4.318 1.00 0.00 H new ATOM 35 N LYS A 4 9.036 11.022 -4.360 1.00 0.00 N ATOM 36 CA LYS A 4 7.826 11.752 -3.985 1.00 0.00 C ATOM 37 C LYS A 4 8.035 12.598 -2.711 1.00 0.00 C ATOM 38 O LYS A 4 8.963 12.345 -1.922 1.00 0.00 O ATOM 39 CB LYS A 4 6.691 10.746 -3.699 1.00 0.00 C ATOM 40 CG LYS A 4 6.805 9.985 -2.344 1.00 0.00 C ATOM 41 CD LYS A 4 8.057 9.116 -2.206 1.00 0.00 C ATOM 42 CE LYS A 4 8.169 8.554 -0.804 1.00 0.00 C ATOM 43 NZ LYS A 4 9.414 7.785 -0.597 1.00 0.00 N ATOM 0 H LYS A 4 8.912 10.010 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 4 7.576 12.415 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.741 11.279 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.663 10.015 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.792 10.712 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.925 9.354 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.020 8.300 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.943 9.707 -2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.128 9.372 -0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.312 7.911 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.440 7.423 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.444 6.987 -1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.235 8.403 -0.759 1.00 0.00 H new ATOM 57 N HIS A 5 7.166 13.572 -2.501 1.00 0.00 N ATOM 58 CA HIS A 5 7.198 14.343 -1.266 1.00 0.00 C ATOM 59 C HIS A 5 6.408 13.605 -0.175 1.00 0.00 C ATOM 60 O HIS A 5 6.774 13.637 0.988 1.00 0.00 O ATOM 61 CB HIS A 5 6.674 15.802 -1.455 1.00 0.00 C ATOM 62 CG HIS A 5 5.192 15.941 -1.724 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.617 15.824 -2.964 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.166 16.165 -0.860 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.303 15.961 -2.830 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.967 16.173 -1.565 1.00 0.00 N ATOM 0 H HIS A 5 6.437 13.847 -3.160 1.00 0.00 H new ATOM 0 HA HIS A 5 8.239 14.433 -0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.916 16.374 -0.559 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.218 16.259 -2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.266 16.313 0.205 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.598 15.907 -3.647 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.029 16.312 -1.189 1.00 0.00 H new ATOM 74 N SER A 6 5.356 12.898 -0.570 1.00 0.00 N ATOM 75 CA SER A 6 4.530 12.161 0.370 1.00 0.00 C ATOM 76 C SER A 6 3.831 11.036 -0.371 1.00 0.00 C ATOM 77 O SER A 6 3.946 10.942 -1.598 1.00 0.00 O ATOM 78 CB SER A 6 3.467 13.096 0.962 1.00 0.00 C ATOM 79 OG SER A 6 2.561 13.538 -0.048 1.00 0.00 O ATOM 0 H SER A 6 5.056 12.821 -1.542 1.00 0.00 H new ATOM 0 HA SER A 6 5.153 11.761 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.918 12.578 1.748 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.950 13.956 1.425 1.00 0.00 H new ATOM 0 HG SER A 6 1.891 14.131 0.351 1.00 0.00 H new ATOM 85 N ILE A 7 3.092 10.209 0.350 1.00 0.00 N ATOM 86 CA ILE A 7 2.291 9.164 -0.273 1.00 0.00 C ATOM 87 C ILE A 7 1.166 9.804 -1.095 1.00 0.00 C ATOM 88 O ILE A 7 0.732 9.265 -2.096 1.00 0.00 O ATOM 89 CB ILE A 7 1.667 8.197 0.774 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.862 7.097 0.052 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.803 8.963 1.771 1.00 0.00 C ATOM 92 CD1 ILE A 7 0.227 6.090 0.960 1.00 0.00 C ATOM 0 H ILE A 7 3.029 10.240 1.368 1.00 0.00 H new ATOM 0 HA ILE A 7 2.954 8.582 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 7 2.466 7.720 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.083 7.569 -0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.524 6.576 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.377 8.267 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.415 9.698 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.001 9.472 1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.317 5.356 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.999 5.586 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.464 6.594 1.636 1.00 0.00 H new ATOM 104 N SER A 8 0.766 11.002 -0.699 1.00 0.00 N ATOM 105 CA SER A 8 -0.306 11.705 -1.347 1.00 0.00 C ATOM 106 C SER A 8 0.169 12.302 -2.682 1.00 0.00 C ATOM 107 O SER A 8 -0.596 12.929 -3.401 1.00 0.00 O ATOM 108 CB SER A 8 -0.857 12.776 -0.408 1.00 0.00 C ATOM 109 OG SER A 8 -1.182 12.221 0.872 1.00 0.00 O ATOM 0 H SER A 8 1.183 11.507 0.083 1.00 0.00 H new ATOM 0 HA SER A 8 -1.112 11.008 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.122 13.571 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.746 13.228 -0.848 1.00 0.00 H new ATOM 0 HG SER A 8 -1.378 12.945 1.502 1.00 0.00 H new ATOM 115 N ASP A 9 1.454 12.122 -2.982 1.00 0.00 N ATOM 116 CA ASP A 9 1.998 12.501 -4.280 1.00 0.00 C ATOM 117 C ASP A 9 1.813 11.338 -5.259 1.00 0.00 C ATOM 118 O ASP A 9 1.831 11.514 -6.479 1.00 0.00 O ATOM 119 CB ASP A 9 3.470 12.868 -4.155 1.00 0.00 C ATOM 120 CG ASP A 9 4.075 13.409 -5.436 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.564 14.399 -5.980 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.130 12.903 -5.874 1.00 0.00 O ATOM 0 H ASP A 9 2.136 11.716 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 9 1.466 13.376 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.584 13.613 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.030 11.986 -3.843 1.00 0.00 H new ATOM 127 N TYR A 10 1.621 10.152 -4.706 1.00 0.00 N ATOM 128 CA TYR A 10 1.312 8.968 -5.492 1.00 0.00 C ATOM 129 C TYR A 10 -0.150 8.990 -5.792 1.00 0.00 C ATOM 130 O TYR A 10 -0.948 9.304 -4.915 1.00 0.00 O ATOM 131 CB TYR A 10 1.566 7.666 -4.701 1.00 0.00 C ATOM 132 CG TYR A 10 2.977 7.138 -4.646 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.948 7.720 -3.854 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.314 5.999 -5.366 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.221 7.180 -3.792 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.577 5.464 -5.310 1.00 0.00 C ATOM 137 CZ TYR A 10 5.526 6.055 -4.525 1.00 0.00 C ATOM 138 OH TYR A 10 6.798 5.514 -4.462 1.00 0.00 O ATOM 0 H TYR A 10 1.675 9.982 -3.702 1.00 0.00 H new ATOM 0 HA TYR A 10 1.942 8.983 -6.382 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.229 7.826 -3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.934 6.887 -5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.712 8.603 -3.279 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.566 5.524 -5.983 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.974 7.640 -3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.819 4.581 -5.883 1.00 0.00 H new ATOM 0 HH TYR A 10 6.846 4.722 -5.038 1.00 0.00 H new ATOM 148 N THR A 11 -0.524 8.701 -6.993 1.00 0.00 N ATOM 149 CA THR A 11 -1.917 8.541 -7.280 1.00 0.00 C ATOM 150 C THR A 11 -2.368 7.207 -6.708 1.00 0.00 C ATOM 151 O THR A 11 -1.518 6.360 -6.330 1.00 0.00 O ATOM 152 CB THR A 11 -2.204 8.579 -8.791 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.385 7.625 -9.458 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.955 9.960 -9.359 1.00 0.00 C ATOM 0 H THR A 11 0.104 8.571 -7.786 1.00 0.00 H new ATOM 0 HA THR A 11 -2.464 9.368 -6.828 1.00 0.00 H new ATOM 0 HB THR A 11 -3.254 8.333 -8.948 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.571 7.650 -10.420 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.166 9.957 -10.428 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.606 10.680 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.914 10.238 -9.195 1.00 0.00 H new ATOM 162 N GLU A 12 -3.665 6.996 -6.650 1.00 0.00 N ATOM 163 CA GLU A 12 -4.200 5.765 -6.127 1.00 0.00 C ATOM 164 C GLU A 12 -3.705 4.605 -6.986 1.00 0.00 C ATOM 165 O GLU A 12 -3.351 3.558 -6.481 1.00 0.00 O ATOM 166 CB GLU A 12 -5.720 5.819 -6.122 1.00 0.00 C ATOM 167 CG GLU A 12 -6.378 4.646 -5.433 1.00 0.00 C ATOM 168 CD GLU A 12 -7.866 4.718 -5.519 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.488 5.449 -4.738 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.453 4.049 -6.399 1.00 0.00 O ATOM 0 H GLU A 12 -4.368 7.666 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.862 5.621 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.038 6.739 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.074 5.867 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.032 3.717 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.075 4.622 -4.386 1.00 0.00 H new ATOM 177 N ALA A 13 -3.604 4.858 -8.284 1.00 0.00 N ATOM 178 CA ALA A 13 -3.141 3.871 -9.241 1.00 0.00 C ATOM 179 C ALA A 13 -1.672 3.505 -9.002 1.00 0.00 C ATOM 180 O ALA A 13 -1.333 2.341 -8.977 1.00 0.00 O ATOM 181 CB ALA A 13 -3.351 4.371 -10.662 1.00 0.00 C ATOM 0 H ALA A 13 -3.843 5.758 -8.701 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.731 2.965 -9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.999 3.619 -11.368 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.412 4.557 -10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.793 5.296 -10.808 1.00 0.00 H new ATOM 187 N GLU A 14 -0.823 4.508 -8.785 1.00 0.00 N ATOM 188 CA GLU A 14 0.619 4.286 -8.535 1.00 0.00 C ATOM 189 C GLU A 14 0.858 3.544 -7.250 1.00 0.00 C ATOM 190 O GLU A 14 1.795 2.752 -7.144 1.00 0.00 O ATOM 191 CB GLU A 14 1.358 5.588 -8.477 1.00 0.00 C ATOM 192 CG GLU A 14 1.388 6.344 -9.763 1.00 0.00 C ATOM 193 CD GLU A 14 1.926 7.709 -9.551 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.145 8.592 -9.154 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.133 7.925 -9.767 1.00 0.00 O ATOM 0 H GLU A 14 -1.100 5.490 -8.775 1.00 0.00 H new ATOM 0 HA GLU A 14 0.988 3.684 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.901 6.216 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.383 5.395 -8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.003 5.813 -10.489 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.383 6.404 -10.180 1.00 0.00 H new ATOM 202 N PHE A 15 0.045 3.809 -6.271 1.00 0.00 N ATOM 203 CA PHE A 15 0.147 3.103 -5.028 1.00 0.00 C ATOM 204 C PHE A 15 -0.403 1.724 -5.204 1.00 0.00 C ATOM 205 O PHE A 15 0.047 0.798 -4.609 1.00 0.00 O ATOM 206 CB PHE A 15 -0.547 3.836 -3.908 1.00 0.00 C ATOM 207 CG PHE A 15 -0.356 3.174 -2.585 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.782 3.418 -1.844 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.311 2.305 -2.083 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.967 2.809 -0.632 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.132 1.699 -0.875 1.00 0.00 C ATOM 212 CZ PHE A 15 0.008 1.948 -0.150 1.00 0.00 C ATOM 0 H PHE A 15 -0.696 4.509 -6.309 1.00 0.00 H new ATOM 0 HA PHE A 15 1.198 3.037 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.169 4.857 -3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.613 3.902 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.533 4.095 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.206 2.106 -2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.861 3.003 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.883 1.026 -0.490 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.153 1.465 0.805 1.00 0.00 H new ATOM 222 N LEU A 16 -1.360 1.594 -6.031 1.00 0.00 N ATOM 223 CA LEU A 16 -1.925 0.308 -6.310 1.00 0.00 C ATOM 224 C LEU A 16 -0.943 -0.532 -7.121 1.00 0.00 C ATOM 225 O LEU A 16 -1.031 -1.755 -7.185 1.00 0.00 O ATOM 226 CB LEU A 16 -3.296 0.507 -6.942 1.00 0.00 C ATOM 227 CG LEU A 16 -4.119 -0.705 -7.162 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.559 -0.364 -6.993 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.952 -1.193 -8.527 1.00 0.00 C ATOM 0 H LEU A 16 -1.786 2.367 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.092 -0.270 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.863 1.191 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.157 1.001 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.803 -1.463 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.165 -1.255 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.728 0.012 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.839 0.402 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.563 -2.084 -8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.263 -0.421 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.904 -1.440 -8.700 1.00 0.00 H new ATOM 241 N GLU A 17 -0.015 0.133 -7.696 1.00 0.00 N ATOM 242 CA GLU A 17 1.100 -0.507 -8.305 1.00 0.00 C ATOM 243 C GLU A 17 2.083 -0.994 -7.229 1.00 0.00 C ATOM 244 O GLU A 17 2.754 -1.974 -7.451 1.00 0.00 O ATOM 245 CB GLU A 17 1.812 0.406 -9.300 1.00 0.00 C ATOM 246 CG GLU A 17 0.971 0.801 -10.496 1.00 0.00 C ATOM 247 CD GLU A 17 0.515 -0.387 -11.294 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.361 -1.036 -11.946 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.699 -0.696 -11.300 1.00 0.00 O ATOM 0 H GLU A 17 -0.002 1.151 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 17 0.722 -1.364 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.132 1.310 -8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.713 -0.095 -9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.101 1.362 -10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.548 1.467 -11.138 1.00 0.00 H new ATOM 256 N PHE A 18 2.092 -0.336 -6.021 1.00 0.00 N ATOM 257 CA PHE A 18 3.039 -0.689 -4.895 1.00 0.00 C ATOM 258 C PHE A 18 2.926 -2.146 -4.606 1.00 0.00 C ATOM 259 O PHE A 18 3.900 -2.882 -4.594 1.00 0.00 O ATOM 260 CB PHE A 18 2.750 0.143 -3.535 1.00 0.00 C ATOM 261 CG PHE A 18 2.023 -0.599 -2.321 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.629 -0.774 -2.269 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.753 -1.106 -1.250 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.015 -1.432 -1.192 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.133 -1.754 -0.187 1.00 0.00 C ATOM 266 CZ PHE A 18 0.772 -1.913 -0.163 1.00 0.00 C ATOM 0 H PHE A 18 1.462 0.435 -5.800 1.00 0.00 H new ATOM 0 HA PHE A 18 4.044 -0.425 -5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.705 0.519 -3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.147 1.011 -3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.018 -0.394 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.827 -0.993 -1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.058 -1.558 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.730 -2.136 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.300 -2.417 0.667 1.00 0.00 H new ATOM 276 N VAL A 19 1.717 -2.549 -4.473 1.00 0.00 N ATOM 277 CA VAL A 19 1.378 -3.872 -4.068 1.00 0.00 C ATOM 278 C VAL A 19 1.651 -4.878 -5.173 1.00 0.00 C ATOM 279 O VAL A 19 2.146 -5.981 -4.918 1.00 0.00 O ATOM 280 CB VAL A 19 -0.088 -3.915 -3.564 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.052 -3.369 -4.585 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.485 -5.287 -3.081 1.00 0.00 C ATOM 0 H VAL A 19 0.908 -1.953 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 19 2.018 -4.162 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.141 -3.255 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.067 -3.418 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.799 -2.332 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.989 -3.961 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.519 -5.267 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.387 -6.003 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.164 -5.585 -2.258 1.00 0.00 H new ATOM 292 N LYS A 20 1.383 -4.474 -6.391 1.00 0.00 N ATOM 293 CA LYS A 20 1.653 -5.302 -7.533 1.00 0.00 C ATOM 294 C LYS A 20 3.160 -5.530 -7.646 1.00 0.00 C ATOM 295 O LYS A 20 3.615 -6.646 -7.900 1.00 0.00 O ATOM 296 CB LYS A 20 1.153 -4.645 -8.788 1.00 0.00 C ATOM 297 CG LYS A 20 -0.335 -4.474 -8.823 1.00 0.00 C ATOM 298 CD LYS A 20 -0.718 -3.748 -10.052 1.00 0.00 C ATOM 299 CE LYS A 20 -2.187 -3.508 -10.179 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.474 -2.700 -11.383 1.00 0.00 N ATOM 0 H LYS A 20 0.974 -3.567 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 20 1.140 -6.255 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.625 -3.668 -8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.462 -5.240 -9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.825 -5.448 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.669 -3.924 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.200 -2.789 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.376 -4.314 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.714 -4.460 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.556 -2.994 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.404 -2.245 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.742 -1.970 -11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.479 -3.316 -12.221 1.00 0.00 H new ATOM 314 N LYS A 21 3.926 -4.446 -7.417 1.00 0.00 N ATOM 315 CA LYS A 21 5.390 -4.481 -7.425 1.00 0.00 C ATOM 316 C LYS A 21 5.873 -5.465 -6.396 1.00 0.00 C ATOM 317 O LYS A 21 6.622 -6.331 -6.714 1.00 0.00 O ATOM 318 CB LYS A 21 6.010 -3.092 -7.118 1.00 0.00 C ATOM 319 CG LYS A 21 5.666 -1.983 -8.102 1.00 0.00 C ATOM 320 CD LYS A 21 6.145 -0.613 -7.600 1.00 0.00 C ATOM 321 CE LYS A 21 7.653 -0.440 -7.691 1.00 0.00 C ATOM 322 NZ LYS A 21 8.139 -0.460 -9.087 1.00 0.00 N ATOM 0 H LYS A 21 3.540 -3.522 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 21 5.704 -4.779 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.688 -2.783 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.094 -3.198 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.124 -2.198 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.588 -1.957 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.659 0.171 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.832 -0.482 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.937 0.503 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.142 -1.235 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.117 -0.107 -9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.110 -1.434 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.532 0.147 -9.675 1.00 0.00 H new ATOM 336 N ILE A 22 5.390 -5.347 -5.176 1.00 0.00 N ATOM 337 CA ILE A 22 5.807 -6.234 -4.080 1.00 0.00 C ATOM 338 C ILE A 22 5.545 -7.695 -4.440 1.00 0.00 C ATOM 339 O ILE A 22 6.395 -8.561 -4.249 1.00 0.00 O ATOM 340 CB ILE A 22 5.075 -5.878 -2.763 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.319 -4.408 -2.436 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.556 -6.772 -1.617 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.658 -3.925 -1.187 1.00 0.00 C ATOM 0 H ILE A 22 4.703 -4.644 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 22 6.877 -6.092 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 22 4.006 -6.047 -2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.393 -4.243 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.971 -3.802 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.029 -6.505 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.355 -7.815 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.627 -6.633 -1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.889 -2.870 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.579 -4.052 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.023 -4.500 -0.336 1.00 0.00 H new ATOM 355 N CYS A 23 4.394 -7.935 -5.024 1.00 0.00 N ATOM 356 CA CYS A 23 3.983 -9.255 -5.428 1.00 0.00 C ATOM 357 C CYS A 23 4.968 -9.868 -6.476 1.00 0.00 C ATOM 358 O CYS A 23 5.248 -11.079 -6.460 1.00 0.00 O ATOM 359 CB CYS A 23 2.559 -9.178 -5.997 1.00 0.00 C ATOM 360 SG CYS A 23 1.844 -10.757 -6.491 1.00 0.00 S ATOM 0 H CYS A 23 3.710 -7.208 -5.234 1.00 0.00 H new ATOM 0 HA CYS A 23 3.997 -9.912 -4.558 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.910 -8.722 -5.249 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.566 -8.514 -6.861 1.00 0.00 H new ATOM 0 HG CYS A 23 0.644 -10.565 -6.952 1.00 0.00 H new ATOM 366 N ARG A 24 5.504 -9.026 -7.354 1.00 0.00 N ATOM 367 CA ARG A 24 6.377 -9.490 -8.428 1.00 0.00 C ATOM 368 C ARG A 24 7.888 -9.315 -8.143 1.00 0.00 C ATOM 369 O ARG A 24 8.681 -10.207 -8.399 1.00 0.00 O ATOM 370 CB ARG A 24 6.009 -8.815 -9.744 1.00 0.00 C ATOM 371 CG ARG A 24 6.127 -7.318 -9.740 1.00 0.00 C ATOM 372 CD ARG A 24 5.870 -6.767 -11.102 1.00 0.00 C ATOM 373 NE ARG A 24 6.834 -7.293 -12.071 1.00 0.00 N ATOM 374 CZ ARG A 24 7.903 -6.636 -12.536 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.056 -5.335 -12.297 1.00 0.00 N ATOM 376 NH2 ARG A 24 8.789 -7.285 -13.281 1.00 0.00 N ATOM 0 H ARG A 24 5.349 -8.018 -7.343 1.00 0.00 H new ATOM 0 HA ARG A 24 6.209 -10.565 -8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.649 -9.213 -10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.984 -9.084 -9.999 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.417 -6.894 -9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.123 -7.027 -9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.858 -7.021 -11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.932 -5.679 -11.076 1.00 0.00 H new ATOM 0 HE ARG A 24 6.678 -8.238 -12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.355 -4.830 -11.755 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.874 -4.843 -12.656 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.651 -8.273 -13.493 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.608 -6.796 -13.642 1.00 0.00 H new ATOM 390 N ALA A 25 8.238 -8.190 -7.569 1.00 0.00 N ATOM 391 CA ALA A 25 9.612 -7.705 -7.383 1.00 0.00 C ATOM 392 C ALA A 25 10.290 -8.228 -6.116 1.00 0.00 C ATOM 393 O ALA A 25 11.192 -7.575 -5.602 1.00 0.00 O ATOM 394 CB ALA A 25 9.639 -6.183 -7.406 1.00 0.00 C ATOM 0 H ALA A 25 7.545 -7.542 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 25 10.189 -8.103 -8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.663 -5.835 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.262 -5.827 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.012 -5.796 -6.603 1.00 0.00 H new ATOM 400 N GLU A 26 9.821 -9.379 -5.613 1.00 0.00 N ATOM 401 CA GLU A 26 10.315 -10.046 -4.361 1.00 0.00 C ATOM 402 C GLU A 26 11.848 -9.951 -4.179 1.00 0.00 C ATOM 403 O GLU A 26 12.348 -9.858 -3.056 1.00 0.00 O ATOM 404 CB GLU A 26 9.952 -11.523 -4.384 1.00 0.00 C ATOM 405 CG GLU A 26 8.488 -11.826 -4.581 1.00 0.00 C ATOM 406 CD GLU A 26 8.242 -13.306 -4.611 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.394 -13.925 -5.697 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.925 -13.891 -3.555 1.00 0.00 O ATOM 0 H GLU A 26 9.068 -9.899 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 26 9.836 -9.520 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.516 -12.006 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.276 -11.974 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.908 -11.374 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.143 -11.378 -5.513 1.00 0.00 H new ATOM 415 N GLY A 27 12.574 -10.046 -5.276 1.00 0.00 N ATOM 416 CA GLY A 27 13.997 -9.902 -5.240 1.00 0.00 C ATOM 417 C GLY A 27 14.694 -11.218 -5.129 1.00 0.00 C ATOM 418 O GLY A 27 15.161 -11.765 -6.127 1.00 0.00 O ATOM 0 H GLY A 27 12.189 -10.224 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.332 -9.390 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.276 -9.273 -4.395 1.00 0.00 H new ATOM 422 N ALA A 28 14.756 -11.735 -3.933 1.00 0.00 N ATOM 423 CA ALA A 28 15.398 -13.004 -3.676 1.00 0.00 C ATOM 424 C ALA A 28 14.791 -13.623 -2.447 1.00 0.00 C ATOM 425 O ALA A 28 14.001 -14.555 -2.538 1.00 0.00 O ATOM 426 CB ALA A 28 16.909 -12.841 -3.511 1.00 0.00 C ATOM 0 H ALA A 28 14.363 -11.290 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 28 15.237 -13.660 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.361 -13.814 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.331 -12.418 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.114 -12.174 -2.673 1.00 0.00 H new ATOM 432 N THR A 29 15.130 -13.088 -1.305 1.00 0.00 N ATOM 433 CA THR A 29 14.587 -13.550 -0.077 1.00 0.00 C ATOM 434 C THR A 29 13.436 -12.644 0.358 1.00 0.00 C ATOM 435 O THR A 29 13.329 -11.495 -0.110 1.00 0.00 O ATOM 436 CB THR A 29 15.689 -13.655 1.007 1.00 0.00 C ATOM 437 OG1 THR A 29 16.569 -12.513 0.937 1.00 0.00 O ATOM 438 CG2 THR A 29 16.499 -14.931 0.835 1.00 0.00 C ATOM 0 H THR A 29 15.793 -12.318 -1.210 1.00 0.00 H new ATOM 0 HA THR A 29 14.185 -14.553 -0.218 1.00 0.00 H new ATOM 0 HB THR A 29 15.201 -13.678 1.982 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.355 -12.670 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.266 -14.982 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.840 -15.795 0.921 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.972 -14.932 -0.147 1.00 0.00 H new ATOM 446 N GLU A 30 12.596 -13.161 1.234 1.00 0.00 N ATOM 447 CA GLU A 30 11.390 -12.485 1.747 1.00 0.00 C ATOM 448 C GLU A 30 11.680 -11.062 2.280 1.00 0.00 C ATOM 449 O GLU A 30 10.834 -10.185 2.214 1.00 0.00 O ATOM 450 CB GLU A 30 10.704 -13.363 2.836 1.00 0.00 C ATOM 451 CG GLU A 30 11.450 -13.498 4.184 1.00 0.00 C ATOM 452 CD GLU A 30 12.847 -14.059 4.072 1.00 0.00 C ATOM 453 OE1 GLU A 30 13.011 -15.291 4.045 1.00 0.00 O ATOM 454 OE2 GLU A 30 13.810 -13.267 3.984 1.00 0.00 O ATOM 0 H GLU A 30 12.726 -14.092 1.629 1.00 0.00 H new ATOM 0 HA GLU A 30 10.707 -12.362 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.715 -12.951 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.557 -14.362 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.503 -12.517 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.867 -14.139 4.845 1.00 0.00 H new ATOM 461 N GLU A 31 12.878 -10.864 2.782 1.00 0.00 N ATOM 462 CA GLU A 31 13.331 -9.581 3.313 1.00 0.00 C ATOM 463 C GLU A 31 13.363 -8.477 2.224 1.00 0.00 C ATOM 464 O GLU A 31 13.132 -7.317 2.524 1.00 0.00 O ATOM 465 CB GLU A 31 14.743 -9.750 3.886 1.00 0.00 C ATOM 466 CG GLU A 31 15.736 -10.179 2.817 1.00 0.00 C ATOM 467 CD GLU A 31 17.119 -10.431 3.300 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.917 -9.482 3.385 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.461 -11.599 3.528 1.00 0.00 O ATOM 0 H GLU A 31 13.584 -11.598 2.837 1.00 0.00 H new ATOM 0 HA GLU A 31 12.626 -9.272 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.070 -8.810 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.725 -10.491 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.364 -11.086 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.772 -9.408 2.047 1.00 0.00 H new ATOM 476 N ASP A 32 13.662 -8.841 0.972 1.00 0.00 N ATOM 477 CA ASP A 32 13.788 -7.841 -0.113 1.00 0.00 C ATOM 478 C ASP A 32 12.395 -7.393 -0.530 1.00 0.00 C ATOM 479 O ASP A 32 12.158 -6.243 -0.907 1.00 0.00 O ATOM 480 CB ASP A 32 14.587 -8.410 -1.296 1.00 0.00 C ATOM 481 CG ASP A 32 15.056 -7.340 -2.273 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.326 -6.985 -3.197 1.00 0.00 O ATOM 483 OD2 ASP A 32 16.206 -6.832 -2.123 1.00 0.00 O ATOM 0 H ASP A 32 13.821 -9.805 0.680 1.00 0.00 H new ATOM 0 HA ASP A 32 14.343 -6.974 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.454 -8.950 -0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.970 -9.134 -1.828 1.00 0.00 H new ATOM 488 N ASP A 33 11.487 -8.321 -0.411 1.00 0.00 N ATOM 489 CA ASP A 33 10.049 -8.108 -0.580 1.00 0.00 C ATOM 490 C ASP A 33 9.569 -7.183 0.528 1.00 0.00 C ATOM 491 O ASP A 33 8.955 -6.134 0.291 1.00 0.00 O ATOM 492 CB ASP A 33 9.376 -9.487 -0.466 1.00 0.00 C ATOM 493 CG ASP A 33 7.876 -9.481 -0.245 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.435 -9.334 0.924 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.128 -9.780 -1.179 1.00 0.00 O ATOM 0 H ASP A 33 11.721 -9.288 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 33 9.809 -7.654 -1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.586 -10.048 -1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.842 -10.029 0.357 1.00 0.00 H new ATOM 500 N ASN A 34 9.937 -7.557 1.731 1.00 0.00 N ATOM 501 CA ASN A 34 9.618 -6.834 2.956 1.00 0.00 C ATOM 502 C ASN A 34 10.168 -5.409 2.921 1.00 0.00 C ATOM 503 O ASN A 34 9.554 -4.491 3.431 1.00 0.00 O ATOM 504 CB ASN A 34 10.202 -7.602 4.138 1.00 0.00 C ATOM 505 CG ASN A 34 9.866 -7.020 5.480 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.581 -6.180 6.009 1.00 0.00 O ATOM 507 ND2 ASN A 34 8.813 -7.505 6.053 1.00 0.00 N ATOM 0 H ASN A 34 10.486 -8.401 1.898 1.00 0.00 H new ATOM 0 HA ASN A 34 8.535 -6.759 3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.843 -8.631 4.101 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.286 -7.639 4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.548 -7.188 6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.247 -8.204 5.572 1.00 0.00 H new ATOM 514 N LYS A 35 11.297 -5.245 2.254 1.00 0.00 N ATOM 515 CA LYS A 35 11.986 -4.003 2.091 1.00 0.00 C ATOM 516 C LYS A 35 11.087 -2.973 1.402 1.00 0.00 C ATOM 517 O LYS A 35 11.098 -1.782 1.739 1.00 0.00 O ATOM 518 CB LYS A 35 13.214 -4.322 1.260 1.00 0.00 C ATOM 519 CG LYS A 35 13.887 -3.165 0.640 1.00 0.00 C ATOM 520 CD LYS A 35 15.019 -3.610 -0.284 1.00 0.00 C ATOM 521 CE LYS A 35 16.108 -4.380 0.456 1.00 0.00 C ATOM 522 NZ LYS A 35 17.144 -4.896 -0.465 1.00 0.00 N ATOM 0 H LYS A 35 11.771 -6.021 1.793 1.00 0.00 H new ATOM 0 HA LYS A 35 12.267 -3.563 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.934 -4.841 1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.925 -5.016 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.162 -2.580 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.285 -2.513 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.611 -4.236 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.458 -2.735 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.573 -3.729 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.659 -5.211 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.865 -5.413 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.706 -5.537 -1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.591 -4.101 -0.965 1.00 0.00 H new ATOM 536 N LEU A 36 10.304 -3.440 0.458 1.00 0.00 N ATOM 537 CA LEU A 36 9.358 -2.589 -0.215 1.00 0.00 C ATOM 538 C LEU A 36 8.227 -2.274 0.726 1.00 0.00 C ATOM 539 O LEU A 36 7.887 -1.109 0.930 1.00 0.00 O ATOM 540 CB LEU A 36 8.826 -3.257 -1.480 1.00 0.00 C ATOM 541 CG LEU A 36 9.849 -3.493 -2.583 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.230 -4.275 -3.727 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.394 -2.162 -3.084 1.00 0.00 C ATOM 0 H LEU A 36 10.306 -4.409 0.139 1.00 0.00 H new ATOM 0 HA LEU A 36 9.857 -1.667 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.388 -4.216 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.021 -2.642 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 36 10.672 -4.079 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.977 -4.434 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.878 -5.239 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.390 -3.715 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.125 -2.342 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.576 -1.559 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.872 -1.631 -2.261 1.00 0.00 H new ATOM 555 N VAL A 37 7.704 -3.320 1.348 1.00 0.00 N ATOM 556 CA VAL A 37 6.584 -3.212 2.280 1.00 0.00 C ATOM 557 C VAL A 37 6.862 -2.155 3.356 1.00 0.00 C ATOM 558 O VAL A 37 6.025 -1.305 3.617 1.00 0.00 O ATOM 559 CB VAL A 37 6.279 -4.567 2.980 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.051 -4.434 3.857 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.079 -5.684 1.968 1.00 0.00 C ATOM 0 H VAL A 37 8.044 -4.273 1.222 1.00 0.00 H new ATOM 0 HA VAL A 37 5.718 -2.917 1.688 1.00 0.00 H new ATOM 0 HB VAL A 37 7.139 -4.825 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.846 -5.388 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.226 -3.671 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.196 -4.147 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.868 -6.616 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.242 -5.437 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.983 -5.800 1.371 1.00 0.00 H new ATOM 571 N ARG A 38 8.059 -2.188 3.916 1.00 0.00 N ATOM 572 CA ARG A 38 8.440 -1.284 4.991 1.00 0.00 C ATOM 573 C ARG A 38 8.323 0.184 4.612 1.00 0.00 C ATOM 574 O ARG A 38 7.758 0.977 5.368 1.00 0.00 O ATOM 575 CB ARG A 38 9.843 -1.559 5.469 1.00 0.00 C ATOM 576 CG ARG A 38 10.028 -2.947 5.992 1.00 0.00 C ATOM 577 CD ARG A 38 11.417 -3.147 6.484 1.00 0.00 C ATOM 578 NE ARG A 38 11.664 -2.477 7.767 1.00 0.00 N ATOM 579 CZ ARG A 38 12.858 -2.375 8.360 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.967 -2.655 7.687 1.00 0.00 N ATOM 581 NH2 ARG A 38 12.939 -1.927 9.604 1.00 0.00 N ATOM 0 H ARG A 38 8.793 -2.840 3.640 1.00 0.00 H new ATOM 0 HA ARG A 38 7.730 -1.478 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.539 -1.392 4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.099 -0.846 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.321 -3.133 6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.809 -3.669 5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.610 -4.214 6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.120 -2.770 5.741 1.00 0.00 H new ATOM 0 HE ARG A 38 10.864 -2.058 8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.911 -2.950 6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.875 -2.575 8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.092 -1.661 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.848 -1.848 10.059 1.00 0.00 H new ATOM 595 N GLU A 39 8.823 0.551 3.433 1.00 0.00 N ATOM 596 CA GLU A 39 8.814 1.953 3.047 1.00 0.00 C ATOM 597 C GLU A 39 7.395 2.401 2.724 1.00 0.00 C ATOM 598 O GLU A 39 7.005 3.534 3.021 1.00 0.00 O ATOM 599 CB GLU A 39 9.763 2.260 1.864 1.00 0.00 C ATOM 600 CG GLU A 39 9.266 1.840 0.486 1.00 0.00 C ATOM 601 CD GLU A 39 10.066 2.480 -0.610 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.142 1.958 -0.958 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.655 3.554 -1.117 1.00 0.00 O ATOM 0 H GLU A 39 9.228 -0.086 2.748 1.00 0.00 H new ATOM 0 HA GLU A 39 9.189 2.519 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.957 3.333 1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.717 1.767 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.324 0.755 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.216 2.114 0.378 1.00 0.00 H new ATOM 610 N PHE A 40 6.619 1.499 2.149 1.00 0.00 N ATOM 611 CA PHE A 40 5.261 1.803 1.798 1.00 0.00 C ATOM 612 C PHE A 40 4.389 1.895 3.032 1.00 0.00 C ATOM 613 O PHE A 40 3.541 2.764 3.122 1.00 0.00 O ATOM 614 CB PHE A 40 4.704 0.822 0.772 1.00 0.00 C ATOM 615 CG PHE A 40 5.316 0.951 -0.614 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.130 2.102 -1.369 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.066 -0.078 -1.160 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.681 2.217 -2.635 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.615 0.028 -2.423 1.00 0.00 C ATOM 620 CZ PHE A 40 6.425 1.176 -3.162 1.00 0.00 C ATOM 0 H PHE A 40 6.916 0.551 1.919 1.00 0.00 H new ATOM 0 HA PHE A 40 5.255 2.783 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.864 -0.194 1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.626 0.967 0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.549 2.917 -0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.224 -0.980 -0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.530 3.119 -3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.193 -0.788 -2.831 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.855 1.263 -4.149 1.00 0.00 H new ATOM 630 N GLU A 41 4.660 1.048 4.008 1.00 0.00 N ATOM 631 CA GLU A 41 3.933 1.064 5.256 1.00 0.00 C ATOM 632 C GLU A 41 4.210 2.275 6.118 1.00 0.00 C ATOM 633 O GLU A 41 3.443 2.596 7.015 1.00 0.00 O ATOM 634 CB GLU A 41 4.038 -0.254 6.008 1.00 0.00 C ATOM 635 CG GLU A 41 3.042 -1.232 5.447 1.00 0.00 C ATOM 636 CD GLU A 41 1.679 -0.613 5.524 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.166 -0.515 6.655 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.122 -0.192 4.498 1.00 0.00 O ATOM 0 H GLU A 41 5.387 0.335 3.955 1.00 0.00 H new ATOM 0 HA GLU A 41 2.884 1.170 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.047 -0.656 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.849 -0.095 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.290 -1.476 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.068 -2.165 6.010 1.00 0.00 H new ATOM 645 N ARG A 42 5.287 2.968 5.850 1.00 0.00 N ATOM 646 CA ARG A 42 5.551 4.223 6.549 1.00 0.00 C ATOM 647 C ARG A 42 4.855 5.355 5.840 1.00 0.00 C ATOM 648 O ARG A 42 4.523 6.379 6.434 1.00 0.00 O ATOM 649 CB ARG A 42 7.033 4.497 6.670 1.00 0.00 C ATOM 650 CG ARG A 42 7.756 3.491 7.525 1.00 0.00 C ATOM 651 CD ARG A 42 9.198 3.903 7.744 1.00 0.00 C ATOM 652 NE ARG A 42 9.289 5.188 8.471 1.00 0.00 N ATOM 653 CZ ARG A 42 10.205 6.147 8.245 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.152 5.975 7.326 1.00 0.00 N ATOM 655 NH2 ARG A 42 10.181 7.271 8.957 1.00 0.00 N ATOM 0 H ARG A 42 5.993 2.699 5.165 1.00 0.00 H new ATOM 0 HA ARG A 42 5.158 4.137 7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.477 4.503 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.178 5.492 7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.251 3.395 8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.722 2.511 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.718 3.128 8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.703 3.991 6.782 1.00 0.00 H new ATOM 0 HE ARG A 42 8.601 5.361 9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.188 5.110 6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.842 6.708 7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.468 7.405 9.674 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.875 7.998 8.786 1.00 0.00 H new ATOM 669 N LEU A 43 4.611 5.150 4.577 1.00 0.00 N ATOM 670 CA LEU A 43 3.883 6.083 3.775 1.00 0.00 C ATOM 671 C LEU A 43 2.411 6.045 4.155 1.00 0.00 C ATOM 672 O LEU A 43 1.739 7.071 4.199 1.00 0.00 O ATOM 673 CB LEU A 43 4.076 5.747 2.293 1.00 0.00 C ATOM 674 CG LEU A 43 5.443 6.069 1.695 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.508 5.609 0.253 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.726 7.562 1.785 1.00 0.00 C ATOM 0 H LEU A 43 4.917 4.319 4.072 1.00 0.00 H new ATOM 0 HA LEU A 43 4.257 7.092 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.886 4.682 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.318 6.282 1.720 1.00 0.00 H new ATOM 0 HG LEU A 43 6.204 5.537 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.489 5.845 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.345 4.532 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.738 6.118 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.705 7.773 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.961 8.111 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.715 7.872 2.830 1.00 0.00 H new ATOM 688 N THR A 44 1.944 4.877 4.478 1.00 0.00 N ATOM 689 CA THR A 44 0.566 4.663 4.820 1.00 0.00 C ATOM 690 C THR A 44 0.307 4.829 6.292 1.00 0.00 C ATOM 691 O THR A 44 -0.792 5.260 6.684 1.00 0.00 O ATOM 692 CB THR A 44 0.187 3.272 4.390 1.00 0.00 C ATOM 693 OG1 THR A 44 1.138 2.378 4.940 1.00 0.00 O ATOM 694 CG2 THR A 44 0.248 3.213 2.903 1.00 0.00 C ATOM 0 H THR A 44 2.515 4.033 4.513 1.00 0.00 H new ATOM 0 HA THR A 44 -0.037 5.412 4.308 1.00 0.00 H new ATOM 0 HB THR A 44 -0.815 3.008 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.196 1.576 4.379 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.023 2.212 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.448 3.938 2.481 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.260 3.445 2.571 1.00 0.00 H new ATOM 702 N GLU A 45 1.326 4.471 7.117 1.00 0.00 N ATOM 703 CA GLU A 45 1.229 4.494 8.583 1.00 0.00 C ATOM 704 C GLU A 45 0.129 3.514 8.960 1.00 0.00 C ATOM 705 O GLU A 45 -0.531 3.632 10.005 1.00 0.00 O ATOM 706 CB GLU A 45 0.882 5.913 9.072 1.00 0.00 C ATOM 707 CG GLU A 45 1.828 6.981 8.574 1.00 0.00 C ATOM 708 CD GLU A 45 1.378 8.377 8.915 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.615 8.849 10.048 1.00 0.00 O ATOM 710 OE2 GLU A 45 0.790 9.055 8.035 1.00 0.00 O ATOM 0 H GLU A 45 2.235 4.159 6.774 1.00 0.00 H new ATOM 0 HA GLU A 45 2.175 4.214 9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.130 6.160 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.882 5.921 10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.816 6.810 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.929 6.893 7.492 1.00 0.00 H new ATOM 717 N HIS A 46 -0.032 2.513 8.109 1.00 0.00 N ATOM 718 CA HIS A 46 -1.119 1.618 8.213 1.00 0.00 C ATOM 719 C HIS A 46 -0.795 0.467 9.211 1.00 0.00 C ATOM 720 O HIS A 46 0.312 -0.051 9.258 1.00 0.00 O ATOM 721 CB HIS A 46 -1.565 1.125 6.792 1.00 0.00 C ATOM 722 CG HIS A 46 -2.882 0.440 6.800 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.059 -0.835 7.226 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.113 0.944 6.609 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.363 -1.055 7.333 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.052 -0.011 6.952 1.00 0.00 N ATOM 0 H HIS A 46 0.601 2.318 7.334 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.980 2.138 8.633 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.610 1.979 6.116 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.811 0.445 6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.334 1.937 6.246 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.799 -1.977 7.689 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.067 0.080 6.916 1.00 0.00 H new ATOM 734 N PRO A 47 -1.756 0.125 10.066 1.00 0.00 N ATOM 735 CA PRO A 47 -1.599 -0.902 11.109 1.00 0.00 C ATOM 736 C PRO A 47 -1.486 -2.298 10.593 1.00 0.00 C ATOM 737 O PRO A 47 -0.684 -3.097 11.066 1.00 0.00 O ATOM 738 CB PRO A 47 -2.899 -0.802 11.874 1.00 0.00 C ATOM 739 CG PRO A 47 -3.857 -0.126 10.988 1.00 0.00 C ATOM 740 CD PRO A 47 -3.063 0.764 10.136 1.00 0.00 C ATOM 0 HA PRO A 47 -0.683 -0.726 11.673 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.261 -1.791 12.153 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.763 -0.240 12.798 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.410 -0.849 10.388 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.590 0.438 11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.508 0.869 9.146 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.994 1.765 10.562 1.00 0.00 H new ATOM 748 N ASP A 48 -2.255 -2.580 9.613 1.00 0.00 N ATOM 749 CA ASP A 48 -2.400 -3.910 9.150 1.00 0.00 C ATOM 750 C ASP A 48 -1.816 -3.978 7.788 1.00 0.00 C ATOM 751 O ASP A 48 -2.008 -4.922 7.084 1.00 0.00 O ATOM 752 CB ASP A 48 -3.884 -4.320 9.089 1.00 0.00 C ATOM 753 CG ASP A 48 -4.615 -4.141 10.400 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.504 -5.000 11.286 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.313 -3.117 10.571 1.00 0.00 O ATOM 0 H ASP A 48 -2.808 -1.891 9.103 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.893 -4.591 9.834 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.384 -3.731 8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.952 -5.364 8.784 1.00 0.00 H new ATOM 760 N GLY A 49 -1.067 -2.944 7.453 1.00 0.00 N ATOM 761 CA GLY A 49 -0.523 -2.785 6.092 1.00 0.00 C ATOM 762 C GLY A 49 0.349 -3.882 5.654 1.00 0.00 C ATOM 763 O GLY A 49 0.140 -4.467 4.589 1.00 0.00 O ATOM 0 H GLY A 49 -0.814 -2.194 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.353 -2.695 5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.037 -1.851 6.045 1.00 0.00 H new ATOM 767 N SER A 50 1.311 -4.185 6.450 1.00 0.00 N ATOM 768 CA SER A 50 2.188 -5.286 6.125 1.00 0.00 C ATOM 769 C SER A 50 1.379 -6.599 6.072 1.00 0.00 C ATOM 770 O SER A 50 1.514 -7.397 5.136 1.00 0.00 O ATOM 771 CB SER A 50 3.407 -5.344 7.072 1.00 0.00 C ATOM 772 OG SER A 50 3.024 -5.345 8.441 1.00 0.00 O ATOM 0 H SER A 50 1.521 -3.702 7.324 1.00 0.00 H new ATOM 0 HA SER A 50 2.611 -5.130 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.988 -6.241 6.859 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.056 -4.490 6.879 1.00 0.00 H new ATOM 0 HG SER A 50 3.825 -5.384 9.005 1.00 0.00 H new ATOM 778 N ASP A 51 0.444 -6.735 7.010 1.00 0.00 N ATOM 779 CA ASP A 51 -0.456 -7.893 7.081 1.00 0.00 C ATOM 780 C ASP A 51 -1.338 -7.998 5.851 1.00 0.00 C ATOM 781 O ASP A 51 -1.707 -9.065 5.482 1.00 0.00 O ATOM 782 CB ASP A 51 -1.346 -7.870 8.340 1.00 0.00 C ATOM 783 CG ASP A 51 -0.650 -8.319 9.603 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.295 -7.638 10.055 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.049 -9.361 10.182 1.00 0.00 O ATOM 0 H ASP A 51 0.286 -6.046 7.745 1.00 0.00 H new ATOM 0 HA ASP A 51 0.193 -8.767 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.721 -6.857 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.212 -8.509 8.170 1.00 0.00 H new ATOM 790 N LEU A 52 -1.647 -6.870 5.215 1.00 0.00 N ATOM 791 CA LEU A 52 -2.498 -6.838 4.004 1.00 0.00 C ATOM 792 C LEU A 52 -1.869 -7.646 2.893 1.00 0.00 C ATOM 793 O LEU A 52 -2.537 -8.384 2.171 1.00 0.00 O ATOM 794 CB LEU A 52 -2.693 -5.388 3.497 1.00 0.00 C ATOM 795 CG LEU A 52 -3.336 -4.400 4.464 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.426 -3.023 3.846 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.701 -4.877 4.891 1.00 0.00 C ATOM 0 H LEU A 52 -1.322 -5.951 5.514 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.464 -7.262 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.718 -4.995 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.302 -5.423 2.593 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.703 -4.337 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.888 -2.336 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.425 -2.670 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.030 -3.070 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.139 -4.156 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.342 -4.977 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.610 -5.844 5.387 1.00 0.00 H new ATOM 809 N ILE A 53 -0.573 -7.537 2.803 1.00 0.00 N ATOM 810 CA ILE A 53 0.173 -8.174 1.743 1.00 0.00 C ATOM 811 C ILE A 53 0.441 -9.606 2.121 1.00 0.00 C ATOM 812 O ILE A 53 0.393 -10.514 1.299 1.00 0.00 O ATOM 813 CB ILE A 53 1.516 -7.445 1.540 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.251 -5.960 1.296 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.330 -8.066 0.383 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.487 -5.125 1.282 1.00 0.00 C ATOM 0 H ILE A 53 -0.001 -7.006 3.459 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.404 -8.133 0.819 1.00 0.00 H new ATOM 0 HB ILE A 53 2.117 -7.558 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.734 -5.844 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.580 -5.588 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.270 -7.527 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.537 -9.113 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.758 -7.997 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.220 -4.083 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.995 -5.210 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.151 -5.470 0.489 1.00 0.00 H new ATOM 828 N TYR A 54 0.668 -9.801 3.378 1.00 0.00 N ATOM 829 CA TYR A 54 1.057 -11.076 3.882 1.00 0.00 C ATOM 830 C TYR A 54 -0.110 -12.006 4.199 1.00 0.00 C ATOM 831 O TYR A 54 0.061 -13.231 4.204 1.00 0.00 O ATOM 832 CB TYR A 54 1.996 -10.897 5.067 1.00 0.00 C ATOM 833 CG TYR A 54 3.332 -10.302 4.669 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.073 -10.877 3.663 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.850 -9.171 5.292 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.276 -10.357 3.284 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.070 -8.638 4.908 1.00 0.00 C ATOM 838 CZ TYR A 54 5.777 -9.244 3.898 1.00 0.00 C ATOM 839 OH TYR A 54 7.011 -8.743 3.503 1.00 0.00 O ATOM 0 H TYR A 54 0.588 -9.074 4.089 1.00 0.00 H new ATOM 0 HA TYR A 54 1.591 -11.586 3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.522 -10.253 5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.161 -11.863 5.544 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.695 -11.757 3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.292 -8.701 6.088 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.837 -10.829 2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.460 -7.757 5.397 1.00 0.00 H new ATOM 0 HH TYR A 54 7.054 -8.714 2.524 1.00 0.00 H new ATOM 849 N TYR A 55 -1.275 -11.455 4.449 1.00 0.00 N ATOM 850 CA TYR A 55 -2.449 -12.227 4.798 1.00 0.00 C ATOM 851 C TYR A 55 -3.701 -11.547 4.246 1.00 0.00 C ATOM 852 O TYR A 55 -4.023 -10.429 4.660 1.00 0.00 O ATOM 853 CB TYR A 55 -2.622 -12.316 6.333 1.00 0.00 C ATOM 854 CG TYR A 55 -1.451 -12.868 7.102 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.308 -14.230 7.307 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.492 -12.017 7.637 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.240 -14.727 8.021 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.575 -12.505 8.345 1.00 0.00 C ATOM 859 CZ TYR A 55 0.698 -13.858 8.536 1.00 0.00 C ATOM 860 OH TYR A 55 1.763 -14.348 9.250 1.00 0.00 O ATOM 0 H TYR A 55 -1.438 -10.449 4.416 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.319 -13.224 4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.841 -11.318 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.494 -12.935 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.042 -14.911 6.902 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.589 -10.951 7.492 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.138 -15.791 8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.314 -11.829 8.750 1.00 0.00 H new ATOM 0 HH TYR A 55 2.331 -13.605 9.542 1.00 0.00 H new ATOM 870 N PRO A 56 -4.390 -12.180 3.282 1.00 0.00 N ATOM 871 CA PRO A 56 -5.708 -11.718 2.817 1.00 0.00 C ATOM 872 C PRO A 56 -6.625 -11.599 4.030 1.00 0.00 C ATOM 873 O PRO A 56 -6.580 -12.465 4.923 1.00 0.00 O ATOM 874 CB PRO A 56 -6.186 -12.861 1.924 1.00 0.00 C ATOM 875 CG PRO A 56 -4.944 -13.547 1.476 1.00 0.00 C ATOM 876 CD PRO A 56 -3.929 -13.359 2.561 1.00 0.00 C ATOM 0 HA PRO A 56 -5.690 -10.757 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.838 -13.543 2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.757 -12.486 1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.130 -14.607 1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.587 -13.126 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.878 -14.230 3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.930 -13.209 2.150 1.00 0.00 H new ATOM 884 N ARG A 57 -7.439 -10.568 4.099 1.00 0.00 N ATOM 885 CA ARG A 57 -8.163 -10.362 5.330 1.00 0.00 C ATOM 886 C ARG A 57 -9.451 -11.177 5.424 1.00 0.00 C ATOM 887 O ARG A 57 -9.431 -12.414 5.385 1.00 0.00 O ATOM 888 CB ARG A 57 -8.427 -8.870 5.605 1.00 0.00 C ATOM 889 CG ARG A 57 -7.189 -7.994 5.553 1.00 0.00 C ATOM 890 CD ARG A 57 -7.461 -6.622 6.137 1.00 0.00 C ATOM 891 NE ARG A 57 -7.623 -6.676 7.597 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.872 -5.629 8.401 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.201 -4.442 7.891 1.00 0.00 N ATOM 894 NH2 ARG A 57 -7.846 -5.799 9.720 1.00 0.00 N ATOM 0 H ARG A 57 -7.611 -9.890 3.356 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.506 -10.736 6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.149 -8.501 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.887 -8.770 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.379 -8.472 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.856 -7.893 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.640 -5.950 5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.362 -6.206 5.686 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.539 -7.591 8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.266 -4.321 6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.388 -3.654 8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.638 -6.718 10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.034 -5.011 10.340 1.00 0.00 H new ATOM 908 N ASP A 58 -10.566 -10.516 5.506 1.00 0.00 N ATOM 909 CA ASP A 58 -11.814 -11.218 5.684 1.00 0.00 C ATOM 910 C ASP A 58 -12.812 -10.944 4.589 1.00 0.00 C ATOM 911 O ASP A 58 -13.101 -11.808 3.770 1.00 0.00 O ATOM 912 CB ASP A 58 -12.404 -10.951 7.064 1.00 0.00 C ATOM 913 CG ASP A 58 -13.646 -11.754 7.319 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.571 -13.000 7.293 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.711 -11.158 7.600 1.00 0.00 O ATOM 0 H ASP A 58 -10.644 -9.500 5.454 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.582 -12.281 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.660 -11.185 7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.635 -9.890 7.159 1.00 0.00 H new ATOM 920 N ASP A 59 -13.309 -9.737 4.566 1.00 0.00 N ATOM 921 CA ASP A 59 -14.355 -9.336 3.623 1.00 0.00 C ATOM 922 C ASP A 59 -13.734 -8.604 2.449 1.00 0.00 C ATOM 923 O ASP A 59 -14.338 -8.447 1.388 1.00 0.00 O ATOM 924 CB ASP A 59 -15.375 -8.445 4.358 1.00 0.00 C ATOM 925 CG ASP A 59 -16.559 -7.996 3.518 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.561 -8.739 3.424 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.537 -6.870 2.985 1.00 0.00 O ATOM 0 H ASP A 59 -13.010 -8.992 5.195 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.871 -10.215 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.750 -8.988 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.859 -7.561 4.733 1.00 0.00 H new ATOM 932 N ARG A 60 -12.508 -8.188 2.640 1.00 0.00 N ATOM 933 CA ARG A 60 -11.780 -7.465 1.665 1.00 0.00 C ATOM 934 C ARG A 60 -11.346 -8.387 0.531 1.00 0.00 C ATOM 935 O ARG A 60 -11.068 -9.562 0.747 1.00 0.00 O ATOM 936 CB ARG A 60 -10.592 -6.820 2.347 1.00 0.00 C ATOM 937 CG ARG A 60 -9.673 -6.063 1.447 1.00 0.00 C ATOM 938 CD ARG A 60 -10.362 -4.868 0.773 1.00 0.00 C ATOM 939 NE ARG A 60 -10.904 -3.879 1.725 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.005 -3.134 1.551 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.831 -3.379 0.551 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.288 -2.178 2.424 1.00 0.00 N ATOM 0 H ARG A 60 -11.989 -8.354 3.502 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.404 -6.690 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.960 -6.142 3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.019 -7.597 2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.818 -5.708 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.286 -6.734 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.648 -4.372 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.173 -5.235 0.144 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.393 -3.750 2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.634 -4.141 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.666 -2.806 0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.671 -2.015 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.123 -1.606 2.301 1.00 0.00 H new ATOM 956 N GLU A 61 -11.332 -7.843 -0.655 1.00 0.00 N ATOM 957 CA GLU A 61 -10.972 -8.551 -1.870 1.00 0.00 C ATOM 958 C GLU A 61 -9.506 -9.017 -1.845 1.00 0.00 C ATOM 959 O GLU A 61 -8.640 -8.388 -1.214 1.00 0.00 O ATOM 960 CB GLU A 61 -11.223 -7.631 -3.078 1.00 0.00 C ATOM 961 CG GLU A 61 -10.950 -8.252 -4.432 1.00 0.00 C ATOM 962 CD GLU A 61 -11.743 -9.506 -4.669 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.278 -10.591 -4.270 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.824 -9.433 -5.277 1.00 0.00 O ATOM 0 H GLU A 61 -11.577 -6.866 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.591 -9.445 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.261 -7.299 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.601 -6.742 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.183 -7.528 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.887 -8.479 -4.515 1.00 0.00 H new ATOM 971 N ASP A 62 -9.246 -10.096 -2.536 1.00 0.00 N ATOM 972 CA ASP A 62 -7.925 -10.663 -2.661 1.00 0.00 C ATOM 973 C ASP A 62 -7.346 -10.195 -3.985 1.00 0.00 C ATOM 974 O ASP A 62 -7.410 -10.910 -5.002 1.00 0.00 O ATOM 975 CB ASP A 62 -8.004 -12.198 -2.646 1.00 0.00 C ATOM 976 CG ASP A 62 -6.653 -12.905 -2.603 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.933 -12.954 -3.627 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.323 -13.486 -1.557 1.00 0.00 O ATOM 0 H ASP A 62 -9.962 -10.619 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.297 -10.344 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.590 -12.510 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.544 -12.529 -3.533 1.00 0.00 H new ATOM 983 N SER A 63 -6.963 -8.950 -4.031 1.00 0.00 N ATOM 984 CA SER A 63 -6.362 -8.414 -5.212 1.00 0.00 C ATOM 985 C SER A 63 -5.384 -7.313 -4.831 1.00 0.00 C ATOM 986 O SER A 63 -5.415 -6.832 -3.676 1.00 0.00 O ATOM 987 CB SER A 63 -7.466 -7.864 -6.126 1.00 0.00 C ATOM 988 OG SER A 63 -8.190 -6.819 -5.496 1.00 0.00 O ATOM 0 H SER A 63 -7.058 -8.289 -3.260 1.00 0.00 H new ATOM 0 HA SER A 63 -5.815 -9.193 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.024 -7.495 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.149 -8.669 -6.398 1.00 0.00 H new ATOM 0 HG SER A 63 -8.979 -6.598 -6.033 1.00 0.00 H new ATOM 994 N PRO A 64 -4.494 -6.884 -5.767 1.00 0.00 N ATOM 995 CA PRO A 64 -3.649 -5.705 -5.560 1.00 0.00 C ATOM 996 C PRO A 64 -4.550 -4.471 -5.284 1.00 0.00 C ATOM 997 O PRO A 64 -4.198 -3.588 -4.510 1.00 0.00 O ATOM 998 CB PRO A 64 -2.875 -5.589 -6.919 1.00 0.00 C ATOM 999 CG PRO A 64 -2.855 -6.984 -7.420 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.193 -7.553 -7.056 1.00 0.00 C ATOM 0 HA PRO A 64 -2.970 -5.771 -4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.381 -4.919 -7.614 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.867 -5.198 -6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.695 -7.013 -8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.047 -7.555 -6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.946 -7.332 -7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.156 -8.637 -6.950 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.755 -4.487 -5.873 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.742 -3.433 -5.672 1.00 0.00 C ATOM 1010 C GLU A 65 -7.286 -3.469 -4.249 1.00 0.00 C ATOM 1011 O GLU A 65 -7.374 -2.443 -3.580 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.917 -3.574 -6.642 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.562 -3.506 -8.113 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.787 -3.551 -8.980 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.560 -2.560 -8.983 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -9.014 -4.566 -9.676 1.00 0.00 O ATOM 0 H GLU A 65 -6.065 -5.231 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.236 -2.485 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.412 -4.526 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.641 -2.789 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.008 -2.589 -8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.904 -4.337 -8.368 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.640 -4.662 -3.796 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.215 -4.838 -2.477 1.00 0.00 C ATOM 1025 C GLY A 66 -7.276 -4.425 -1.365 1.00 0.00 C ATOM 1026 O GLY A 66 -7.705 -3.848 -0.366 1.00 0.00 O ATOM 0 H GLY A 66 -7.537 -5.526 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.133 -4.255 -2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.491 -5.884 -2.343 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.004 -4.694 -1.540 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.002 -4.298 -0.560 1.00 0.00 C ATOM 1032 C ILE A 67 -4.916 -2.771 -0.468 1.00 0.00 C ATOM 1033 O ILE A 67 -4.850 -2.204 0.629 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.628 -4.951 -0.876 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.740 -6.475 -0.660 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.497 -4.341 -0.039 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.493 -7.261 -0.996 1.00 0.00 C ATOM 0 H ILE A 67 -5.631 -5.186 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.305 -4.664 0.421 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.371 -4.753 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.999 -6.661 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.564 -6.853 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.555 -4.827 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.423 -3.274 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.708 -4.488 1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.670 -8.321 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.241 -7.112 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.667 -6.917 -0.373 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.985 -2.118 -1.612 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.998 -0.666 -1.661 1.00 0.00 C ATOM 1051 C VAL A 68 -6.255 -0.135 -1.032 1.00 0.00 C ATOM 1052 O VAL A 68 -6.216 0.828 -0.284 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.892 -0.148 -3.103 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.055 1.383 -3.176 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.568 -0.539 -3.635 1.00 0.00 C ATOM 0 H VAL A 68 -5.033 -2.571 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.130 -0.313 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.695 -0.585 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.973 1.709 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.032 1.664 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.275 1.861 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.468 -0.182 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.784 -0.099 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.475 -1.625 -3.618 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.356 -0.805 -1.312 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.659 -0.415 -0.843 1.00 0.00 C ATOM 1067 C LYS A 69 -8.692 -0.264 0.665 1.00 0.00 C ATOM 1068 O LYS A 69 -9.274 0.684 1.170 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.690 -1.416 -1.259 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.068 -0.828 -1.269 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.560 -0.613 -2.693 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.714 0.413 -3.466 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.261 0.679 -4.815 1.00 0.00 N ATOM 0 H LYS A 69 -7.363 -1.650 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.883 0.552 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.449 -1.793 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.664 -2.268 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.753 -1.490 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.066 0.122 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.546 -1.564 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.597 -0.277 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.670 1.345 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.692 0.046 -3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.661 1.375 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.279 -0.205 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.227 1.054 -4.730 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.048 -1.186 1.367 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.949 -1.119 2.816 1.00 0.00 C ATOM 1089 C GLU A 70 -7.318 0.170 3.253 1.00 0.00 C ATOM 1090 O GLU A 70 -7.932 0.954 3.960 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.156 -2.291 3.347 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.931 -3.563 3.397 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.085 -3.487 4.374 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.095 -2.805 4.083 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.015 -4.100 5.424 1.00 0.00 O ATOM 0 H GLU A 70 -7.584 -1.994 0.952 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.959 -1.162 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.275 -2.436 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.799 -2.053 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.313 -3.794 2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.268 -4.380 3.682 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.122 0.398 2.769 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.354 1.591 3.063 1.00 0.00 C ATOM 1104 C ILE A 71 -6.099 2.854 2.640 1.00 0.00 C ATOM 1105 O ILE A 71 -6.103 3.872 3.351 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.996 1.487 2.350 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.183 0.434 3.067 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.253 2.822 2.320 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.022 -0.069 2.299 1.00 0.00 C ATOM 0 H ILE A 71 -5.642 -0.252 2.146 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.200 1.663 4.140 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.156 1.210 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.828 0.847 4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.833 -0.406 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.300 2.697 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.855 3.562 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.073 3.161 3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.495 -0.820 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.368 -0.515 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.347 0.757 2.077 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.747 2.757 1.518 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.460 3.850 0.924 1.00 0.00 C ATOM 1123 C LYS A 72 -8.661 4.248 1.783 1.00 0.00 C ATOM 1124 O LYS A 72 -8.733 5.394 2.247 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.842 3.484 -0.534 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.206 4.653 -1.449 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.627 5.120 -1.319 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.566 4.187 -2.048 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.959 4.673 -2.020 1.00 0.00 N ATOM 0 H LYS A 72 -6.796 1.894 0.976 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.821 4.732 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.007 2.945 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.687 2.796 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.540 5.489 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.025 4.360 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.903 5.171 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.722 6.128 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.240 4.080 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.518 3.197 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.585 3.957 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.246 4.848 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.029 5.557 -2.564 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.542 3.296 2.059 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.751 3.564 2.841 1.00 0.00 C ATOM 1145 C GLU A 73 -10.410 3.880 4.297 1.00 0.00 C ATOM 1146 O GLU A 73 -11.103 4.655 4.959 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.709 2.363 2.773 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.183 2.013 1.360 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.045 3.084 0.726 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.553 4.190 0.474 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.221 2.816 0.419 1.00 0.00 O ATOM 0 H GLU A 73 -9.446 2.327 1.754 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.241 4.437 2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.213 1.493 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.580 2.573 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.313 1.837 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.745 1.080 1.395 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.344 3.286 4.790 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.926 3.474 6.167 1.00 0.00 C ATOM 1160 C TRP A 74 -8.418 4.886 6.393 1.00 0.00 C ATOM 1161 O TRP A 74 -8.969 5.622 7.210 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.842 2.466 6.526 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.473 2.400 7.975 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.156 1.752 8.955 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.309 2.959 8.603 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.494 1.866 10.141 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.361 2.599 9.956 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.229 3.725 8.152 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.381 2.966 10.858 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.249 4.096 9.051 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.333 3.710 10.392 1.00 0.00 C ATOM 0 H TRP A 74 -8.744 2.661 4.252 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.791 3.315 6.811 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.172 1.477 6.208 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.946 2.703 5.952 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.087 1.224 8.815 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.799 1.465 11.028 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.163 4.022 7.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.441 2.675 11.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.411 4.689 8.716 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.552 4.007 11.076 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.422 5.300 5.622 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.786 6.587 5.866 1.00 0.00 C ATOM 1184 C ARG A 75 -7.720 7.743 5.592 1.00 0.00 C ATOM 1185 O ARG A 75 -7.667 8.764 6.278 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.507 6.737 5.084 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.474 5.682 5.416 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.215 5.920 4.656 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.489 6.119 3.245 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.816 6.940 2.470 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.823 7.656 2.968 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.159 7.085 1.211 1.00 0.00 N ATOM 0 H ARG A 75 -7.042 4.774 4.835 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.534 6.611 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.733 6.691 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.084 7.723 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.266 5.693 6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.867 4.694 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.703 6.795 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.543 5.071 4.783 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.253 5.588 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.578 7.572 3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.301 8.293 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.948 6.560 0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.636 7.722 0.610 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.611 7.561 4.639 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.578 8.586 4.291 1.00 0.00 C ATOM 1208 C ALA A 76 -10.599 8.775 5.418 1.00 0.00 C ATOM 1209 O ALA A 76 -11.053 9.890 5.680 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.277 8.230 2.984 1.00 0.00 C ATOM 0 H ALA A 76 -8.687 6.707 4.087 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.048 9.529 4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.000 9.007 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.539 8.152 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.793 7.277 3.096 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.897 7.687 6.126 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.894 7.707 7.185 1.00 0.00 C ATOM 1218 C ALA A 77 -11.258 8.194 8.455 1.00 0.00 C ATOM 1219 O ALA A 77 -11.919 8.682 9.363 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.500 6.327 7.387 1.00 0.00 C ATOM 0 H ALA A 77 -10.457 6.778 5.981 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.700 8.384 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.242 6.369 8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.977 6.001 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.715 5.621 7.659 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.957 8.015 8.521 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.177 8.433 9.644 1.00 0.00 C ATOM 1228 C ASN A 78 -8.862 9.906 9.576 1.00 0.00 C ATOM 1229 O ASN A 78 -8.632 10.543 10.598 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.865 7.649 9.738 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.966 6.236 10.310 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.023 5.770 10.922 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.060 5.554 10.105 1.00 0.00 N ATOM 0 H ASN A 78 -9.413 7.569 7.783 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.777 8.234 10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.431 7.585 8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.168 8.219 10.352 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.142 4.602 10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.833 5.973 9.588 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.853 10.445 8.381 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.487 11.823 8.212 1.00 0.00 C ATOM 1242 C GLY A 79 -6.991 11.947 8.102 1.00 0.00 C ATOM 1243 O GLY A 79 -6.394 12.928 8.550 1.00 0.00 O ATOM 0 H GLY A 79 -9.093 9.953 7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.961 12.227 7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.848 12.410 9.056 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.393 10.929 7.527 1.00 0.00 N ATOM 1248 CA LYS A 80 -4.984 10.844 7.320 1.00 0.00 C ATOM 1249 C LYS A 80 -4.643 11.259 5.904 1.00 0.00 C ATOM 1250 O LYS A 80 -5.512 11.776 5.179 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.532 9.424 7.594 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.488 9.067 9.071 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.010 7.651 9.254 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.704 7.318 10.714 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.885 7.267 11.597 1.00 0.00 N ATOM 0 H LYS A 80 -6.901 10.114 7.182 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.465 11.519 8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.204 8.734 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.540 9.279 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.824 9.753 9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.479 9.183 9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.769 6.964 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.114 7.493 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.196 6.354 10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.008 8.061 11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.608 6.889 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.272 8.225 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.608 6.651 11.174 1.00 0.00 H new ATOM 1269 N SER A 81 -3.398 11.077 5.518 1.00 0.00 N ATOM 1270 CA SER A 81 -2.922 11.390 4.208 1.00 0.00 C ATOM 1271 C SER A 81 -3.654 10.539 3.144 1.00 0.00 C ATOM 1272 O SER A 81 -4.343 9.567 3.486 1.00 0.00 O ATOM 1273 CB SER A 81 -1.454 11.088 4.215 1.00 0.00 C ATOM 1274 OG SER A 81 -0.805 11.787 5.271 1.00 0.00 O ATOM 0 H SER A 81 -2.678 10.696 6.132 1.00 0.00 H new ATOM 0 HA SER A 81 -3.108 12.434 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.298 10.016 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.014 11.372 3.259 1.00 0.00 H new ATOM 0 HG SER A 81 0.152 11.577 5.262 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.490 10.869 1.883 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.223 10.163 0.877 1.00 0.00 C ATOM 1282 C GLY A 82 -3.375 9.810 -0.293 1.00 0.00 C ATOM 1283 O GLY A 82 -2.223 9.391 -0.127 1.00 0.00 O ATOM 0 H GLY A 82 -2.870 11.604 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.643 9.254 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.062 10.775 0.544 1.00 0.00 H new ATOM 1287 N PHE A 83 -3.962 9.883 -1.448 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.302 9.705 -2.680 1.00 0.00 C ATOM 1289 C PHE A 83 -3.618 10.911 -3.508 1.00 0.00 C ATOM 1290 O PHE A 83 -4.544 11.666 -3.172 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.843 8.485 -3.410 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.768 7.201 -2.637 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.544 6.694 -2.269 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.917 6.494 -2.287 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.455 5.524 -1.563 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.818 5.314 -1.580 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.589 4.831 -1.218 1.00 0.00 C ATOM 0 H PHE A 83 -4.958 10.077 -1.549 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.233 9.571 -2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.883 8.671 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.292 8.364 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.643 7.224 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.888 6.872 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.486 5.144 -1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.711 4.770 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.512 3.908 -0.663 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.893 11.098 -4.554 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.149 12.166 -5.456 1.00 0.00 C ATOM 1309 C LYS A 84 -4.320 11.780 -6.319 1.00 0.00 C ATOM 1310 O LYS A 84 -4.315 10.742 -6.983 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.908 12.470 -6.274 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.012 13.669 -7.216 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.622 14.133 -7.657 1.00 0.00 C ATOM 1314 CE LYS A 84 0.103 13.120 -8.546 1.00 0.00 C ATOM 1315 NZ LYS A 84 -0.361 13.135 -9.952 1.00 0.00 N ATOM 0 H LYS A 84 -2.100 10.510 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.398 13.079 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.077 12.640 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.659 11.588 -6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.605 13.401 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.532 14.486 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.716 15.076 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.015 14.329 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.173 13.327 -8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.038 12.120 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.087 12.246 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.396 13.233 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.074 13.936 -10.452 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.304 12.607 -6.299 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.598 12.361 -6.965 1.00 0.00 C ATOM 1331 C GLN A 85 -6.566 12.650 -8.462 1.00 0.00 C ATOM 1332 O GLN A 85 -7.605 12.677 -9.134 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.759 13.121 -6.274 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.597 14.648 -6.217 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.499 15.105 -5.271 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.229 14.467 -4.264 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -5.829 16.149 -5.611 1.00 0.00 N ATOM 0 H GLN A 85 -5.262 13.504 -5.816 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.786 11.293 -6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.687 12.889 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.864 12.744 -5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.381 15.020 -7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.542 15.095 -5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.078 16.661 -6.457 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.049 16.465 -5.034 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.404 12.790 -8.967 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.199 13.052 -10.351 1.00 0.00 C ATOM 1348 C GLY A 86 -3.850 13.637 -10.558 1.00 0.00 C ATOM 1349 O GLY A 86 -3.722 14.863 -10.615 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.886 12.877 -10.567 1.00 0.00 O ATOM 0 H GLY A 86 -4.543 12.726 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.297 12.130 -10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.963 13.738 -10.718 1.00 0.00 H new TER 1354 GLY A 86