USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0377 (180deg=-0.67) USER MOD Single : A 3 THR OG1 : rot -65:sc= 0.945 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.277 USER MOD Single : A 17 ASN : amide:sc= 0.0772 X(o=0.077,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 26 MET CE :methyl -128:sc= -1.44 (180deg=-3.68!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 7:sc= 0.266 USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0857) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0778 USER MOD Single : A 40 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.4) USER MOD Single : A 43 ASN : amide:sc= 0.0256 K(o=0.026,f=-1.9!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0184) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0183 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.624 -5.089 13.315 1.00 0.00 N ATOM 2 CA MET A 1 30.199 -5.759 12.055 1.00 0.00 C ATOM 3 C MET A 1 30.380 -4.796 10.880 1.00 0.00 C ATOM 4 O MET A 1 30.815 -5.182 9.811 1.00 0.00 O ATOM 5 CB MET A 1 28.727 -6.162 12.164 1.00 0.00 C ATOM 6 CG MET A 1 28.575 -7.250 13.228 1.00 0.00 C ATOM 7 SD MET A 1 26.820 -7.623 13.465 1.00 0.00 S ATOM 8 CE MET A 1 27.025 -9.328 14.035 1.00 0.00 C ATOM 0 H1 MET A 1 30.860 -5.808 14.028 1.00 0.00 H new ATOM 0 H2 MET A 1 31.460 -4.499 13.129 1.00 0.00 H new ATOM 0 H3 MET A 1 29.850 -4.491 13.669 1.00 0.00 H new ATOM 0 HA MET A 1 30.808 -6.648 11.892 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.120 -5.295 12.425 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.366 -6.526 11.202 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.111 -8.149 12.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.017 -6.919 14.168 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.047 -9.762 14.244 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.523 -9.913 13.262 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.628 -9.338 14.943 1.00 0.00 H new ATOM 20 N GLU A 2 30.047 -3.546 11.075 1.00 0.00 N ATOM 21 CA GLU A 2 30.194 -2.546 9.978 1.00 0.00 C ATOM 22 C GLU A 2 30.820 -1.267 10.538 1.00 0.00 C ATOM 23 O GLU A 2 30.476 -0.170 10.136 1.00 0.00 O ATOM 24 CB GLU A 2 28.817 -2.228 9.392 1.00 0.00 C ATOM 25 CG GLU A 2 28.279 -3.454 8.651 1.00 0.00 C ATOM 26 CD GLU A 2 28.764 -3.426 7.200 1.00 0.00 C ATOM 27 OE1 GLU A 2 28.858 -2.342 6.648 1.00 0.00 O ATOM 28 OE2 GLU A 2 29.032 -4.489 6.665 1.00 0.00 O ATOM 0 H GLU A 2 29.678 -3.175 11.951 1.00 0.00 H new ATOM 0 HA GLU A 2 30.836 -2.952 9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.130 -1.941 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.888 -1.380 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.618 -4.366 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 2 27.189 -3.462 8.681 1.00 0.00 H new ATOM 35 N THR A 3 31.736 -1.402 11.463 1.00 0.00 N ATOM 36 CA THR A 3 32.392 -0.199 12.057 1.00 0.00 C ATOM 37 C THR A 3 33.689 0.104 11.299 1.00 0.00 C ATOM 38 O THR A 3 34.754 0.209 11.882 1.00 0.00 O ATOM 39 CB THR A 3 32.705 -0.465 13.533 1.00 0.00 C ATOM 40 OG1 THR A 3 33.447 0.626 14.060 1.00 0.00 O ATOM 41 CG2 THR A 3 33.524 -1.750 13.662 1.00 0.00 C ATOM 0 H THR A 3 32.058 -2.296 11.833 1.00 0.00 H new ATOM 0 HA THR A 3 31.722 0.657 11.979 1.00 0.00 H new ATOM 0 HB THR A 3 31.773 -0.576 14.088 1.00 0.00 H new ATOM 0 HG1 THR A 3 34.317 0.678 13.611 1.00 0.00 H new ATOM 0 HG21 THR A 3 33.745 -1.937 14.713 1.00 0.00 H new ATOM 0 HG22 THR A 3 32.955 -2.587 13.257 1.00 0.00 H new ATOM 0 HG23 THR A 3 34.457 -1.644 13.108 1.00 0.00 H new ATOM 49 N LEU A 4 33.605 0.247 10.001 1.00 0.00 N ATOM 50 CA LEU A 4 34.825 0.546 9.195 1.00 0.00 C ATOM 51 C LEU A 4 34.714 1.957 8.609 1.00 0.00 C ATOM 52 O LEU A 4 33.812 2.703 8.940 1.00 0.00 O ATOM 53 CB LEU A 4 34.947 -0.475 8.059 1.00 0.00 C ATOM 54 CG LEU A 4 35.899 -1.596 8.480 1.00 0.00 C ATOM 55 CD1 LEU A 4 35.547 -2.879 7.724 1.00 0.00 C ATOM 56 CD2 LEU A 4 37.337 -1.190 8.150 1.00 0.00 C ATOM 0 H LEU A 4 32.741 0.169 9.464 1.00 0.00 H new ATOM 0 HA LEU A 4 35.708 0.487 9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 4 33.967 -0.887 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 4 35.318 0.012 7.157 1.00 0.00 H new ATOM 0 HG LEU A 4 35.804 -1.770 9.552 1.00 0.00 H new ATOM 0 HD11 LEU A 4 36.226 -3.677 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 4 34.522 -3.168 7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 4 35.642 -2.707 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 4 38.018 -1.987 8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 4 37.429 -1.017 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 4 37.590 -0.276 8.688 1.00 0.00 H new ATOM 68 N VAL A 5 35.625 2.324 7.743 1.00 0.00 N ATOM 69 CA VAL A 5 35.580 3.685 7.132 1.00 0.00 C ATOM 70 C VAL A 5 35.587 3.559 5.606 1.00 0.00 C ATOM 71 O VAL A 5 36.590 3.792 4.957 1.00 0.00 O ATOM 72 CB VAL A 5 36.799 4.491 7.588 1.00 0.00 C ATOM 73 CG1 VAL A 5 36.671 5.934 7.095 1.00 0.00 C ATOM 74 CG2 VAL A 5 36.876 4.481 9.116 1.00 0.00 C ATOM 0 H VAL A 5 36.399 1.737 7.433 1.00 0.00 H new ATOM 0 HA VAL A 5 34.671 4.197 7.449 1.00 0.00 H new ATOM 0 HB VAL A 5 37.703 4.044 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 5 37.539 6.508 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.617 5.943 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.766 6.380 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 5 37.744 5.055 9.440 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.971 4.927 9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 5 36.968 3.454 9.469 1.00 0.00 H new ATOM 84 N GLN A 6 34.471 3.190 5.031 1.00 0.00 N ATOM 85 CA GLN A 6 34.397 3.044 3.546 1.00 0.00 C ATOM 86 C GLN A 6 33.636 4.235 2.951 1.00 0.00 C ATOM 87 O GLN A 6 32.704 4.071 2.185 1.00 0.00 O ATOM 88 CB GLN A 6 33.672 1.739 3.199 1.00 0.00 C ATOM 89 CG GLN A 6 32.328 1.688 3.928 1.00 0.00 C ATOM 90 CD GLN A 6 31.391 0.716 3.209 1.00 0.00 C ATOM 91 OE1 GLN A 6 30.299 1.082 2.819 1.00 0.00 O ATOM 92 NE2 GLN A 6 31.773 -0.516 3.014 1.00 0.00 N ATOM 0 H GLN A 6 33.605 2.983 5.528 1.00 0.00 H new ATOM 0 HA GLN A 6 35.404 3.019 3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 6 33.516 1.673 2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 6 34.285 0.884 3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 6 32.475 1.371 4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 6 31.882 2.682 3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 6 32.689 -0.824 3.341 1.00 0.00 H new ATOM 0 HE22 GLN A 6 31.156 -1.172 2.535 1.00 0.00 H new ATOM 101 N ALA A 7 34.029 5.433 3.303 1.00 0.00 N ATOM 102 CA ALA A 7 33.338 6.643 2.770 1.00 0.00 C ATOM 103 C ALA A 7 33.476 6.695 1.246 1.00 0.00 C ATOM 104 O ALA A 7 32.603 7.185 0.554 1.00 0.00 O ATOM 105 CB ALA A 7 33.965 7.897 3.380 1.00 0.00 C ATOM 0 H ALA A 7 34.803 5.624 3.940 1.00 0.00 H new ATOM 0 HA ALA A 7 32.281 6.596 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 7 33.461 8.782 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 7 33.859 7.866 4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 7 35.023 7.938 3.120 1.00 0.00 H new ATOM 111 N ARG A 8 34.565 6.193 0.720 1.00 0.00 N ATOM 112 CA ARG A 8 34.767 6.208 -0.755 1.00 0.00 C ATOM 113 C ARG A 8 35.662 5.034 -1.156 1.00 0.00 C ATOM 114 O ARG A 8 36.019 4.209 -0.336 1.00 0.00 O ATOM 115 CB ARG A 8 35.429 7.524 -1.170 1.00 0.00 C ATOM 116 CG ARG A 8 34.359 8.610 -1.329 1.00 0.00 C ATOM 117 CD ARG A 8 34.708 9.505 -2.520 1.00 0.00 C ATOM 118 NE ARG A 8 34.786 8.679 -3.757 1.00 0.00 N ATOM 119 CZ ARG A 8 35.387 9.146 -4.817 1.00 0.00 C ATOM 120 NH1 ARG A 8 35.008 10.283 -5.334 1.00 0.00 N ATOM 121 NH2 ARG A 8 36.368 8.479 -5.360 1.00 0.00 N ATOM 0 H ARG A 8 35.325 5.772 1.255 1.00 0.00 H new ATOM 0 HA ARG A 8 33.803 6.118 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 8 36.160 7.827 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 8 35.969 7.391 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 8 33.381 8.152 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 8 34.295 9.207 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 8 33.954 10.283 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 8 35.660 10.007 -2.345 1.00 0.00 H new ATOM 0 HE ARG A 8 34.370 7.748 -3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 8 34.242 10.806 -4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 8 35.478 10.648 -6.163 1.00 0.00 H new ATOM 0 HH21 ARG A 8 36.666 7.591 -4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 8 36.837 8.845 -6.189 1.00 0.00 H new ATOM 135 N LYS A 9 36.023 4.950 -2.413 1.00 0.00 N ATOM 136 CA LYS A 9 36.889 3.830 -2.872 1.00 0.00 C ATOM 137 C LYS A 9 38.347 4.132 -2.520 1.00 0.00 C ATOM 138 O LYS A 9 39.062 4.753 -3.284 1.00 0.00 O ATOM 139 CB LYS A 9 36.755 3.658 -4.387 1.00 0.00 C ATOM 140 CG LYS A 9 37.444 2.359 -4.811 1.00 0.00 C ATOM 141 CD LYS A 9 36.983 1.968 -6.216 1.00 0.00 C ATOM 142 CE LYS A 9 38.026 1.048 -6.857 1.00 0.00 C ATOM 143 NZ LYS A 9 37.887 1.092 -8.340 1.00 0.00 N ATOM 0 H LYS A 9 35.752 5.613 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 9 36.578 2.910 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 9 35.703 3.634 -4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 9 37.205 4.507 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 9 38.526 2.488 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 9 37.207 1.563 -4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 9 36.018 1.463 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 9 36.845 2.860 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 9 39.029 1.360 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 9 37.894 0.027 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 38.596 0.467 -8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 36.934 0.774 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 38.034 2.066 -8.674 1.00 0.00 H new ATOM 157 N ARG A 10 38.790 3.691 -1.370 1.00 0.00 N ATOM 158 CA ARG A 10 40.198 3.940 -0.960 1.00 0.00 C ATOM 159 C ARG A 10 40.597 2.947 0.133 1.00 0.00 C ATOM 160 O ARG A 10 40.404 3.196 1.308 1.00 0.00 O ATOM 161 CB ARG A 10 40.331 5.366 -0.425 1.00 0.00 C ATOM 162 CG ARG A 10 41.813 5.707 -0.250 1.00 0.00 C ATOM 163 CD ARG A 10 42.022 7.213 -0.431 1.00 0.00 C ATOM 164 NE ARG A 10 43.243 7.450 -1.249 1.00 0.00 N ATOM 165 CZ ARG A 10 43.632 8.669 -1.503 1.00 0.00 C ATOM 166 NH1 ARG A 10 42.767 9.560 -1.904 1.00 0.00 N ATOM 167 NH2 ARG A 10 44.886 8.998 -1.354 1.00 0.00 N ATOM 0 H ARG A 10 38.231 3.167 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 10 40.853 3.813 -1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 10 39.863 6.070 -1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 10 39.810 5.459 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 10 42.152 5.400 0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 10 42.411 5.157 -0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 10 41.153 7.655 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 10 42.123 7.696 0.541 1.00 0.00 H new ATOM 0 HE ARG A 10 43.776 6.659 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 10 41.787 9.303 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 10 43.071 10.513 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 10 45.562 8.302 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 10 45.190 9.951 -1.553 1.00 0.00 H new ATOM 181 N LYS A 11 41.152 1.824 -0.248 1.00 0.00 N ATOM 182 CA LYS A 11 41.566 0.811 0.759 1.00 0.00 C ATOM 183 C LYS A 11 43.040 1.015 1.115 1.00 0.00 C ATOM 184 O LYS A 11 43.905 0.990 0.260 1.00 0.00 O ATOM 185 CB LYS A 11 41.363 -0.593 0.188 1.00 0.00 C ATOM 186 CG LYS A 11 39.906 -1.021 0.395 1.00 0.00 C ATOM 187 CD LYS A 11 39.624 -1.208 1.894 1.00 0.00 C ATOM 188 CE LYS A 11 39.484 -2.698 2.218 1.00 0.00 C ATOM 189 NZ LYS A 11 38.040 -3.053 2.300 1.00 0.00 N ATOM 0 H LYS A 11 41.335 1.568 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 11 40.959 0.925 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 11 41.610 -0.605 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 11 42.034 -1.298 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 11 39.235 -0.269 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 11 39.712 -1.951 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 11 40.433 -0.774 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 11 38.711 -0.680 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 11 39.974 -3.296 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 11 39.980 -2.924 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 37.943 -4.065 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.586 -2.491 3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 37.581 -2.851 1.389 1.00 0.00 H new ATOM 203 N ARG A 12 43.326 1.220 2.374 1.00 0.00 N ATOM 204 CA ARG A 12 44.739 1.432 2.811 1.00 0.00 C ATOM 205 C ARG A 12 44.883 1.001 4.268 1.00 0.00 C ATOM 206 O ARG A 12 44.653 1.777 5.178 1.00 0.00 O ATOM 207 CB ARG A 12 45.102 2.916 2.686 1.00 0.00 C ATOM 208 CG ARG A 12 44.014 3.785 3.338 1.00 0.00 C ATOM 209 CD ARG A 12 44.652 4.755 4.337 1.00 0.00 C ATOM 210 NE ARG A 12 43.666 5.809 4.709 1.00 0.00 N ATOM 211 CZ ARG A 12 43.469 6.103 5.966 1.00 0.00 C ATOM 212 NH1 ARG A 12 44.488 6.300 6.758 1.00 0.00 N ATOM 213 NH2 ARG A 12 42.253 6.201 6.431 1.00 0.00 N ATOM 0 H ARG A 12 42.636 1.250 3.125 1.00 0.00 H new ATOM 0 HA ARG A 12 45.405 0.842 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 12 46.063 3.104 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 12 45.211 3.184 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 12 43.473 4.341 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 12 43.286 3.152 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 12 44.976 4.216 5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 12 45.540 5.211 3.900 1.00 0.00 H new ATOM 0 HE ARG A 12 43.145 6.300 3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 12 45.438 6.224 6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 12 44.334 6.530 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 12 41.457 6.048 5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 12 42.099 6.431 7.413 1.00 0.00 H new ATOM 227 N THR A 13 45.272 -0.227 4.498 1.00 0.00 N ATOM 228 CA THR A 13 45.443 -0.705 5.898 1.00 0.00 C ATOM 229 C THR A 13 46.771 -0.172 6.420 1.00 0.00 C ATOM 230 O THR A 13 46.813 0.620 7.343 1.00 0.00 O ATOM 231 CB THR A 13 45.453 -2.235 5.923 1.00 0.00 C ATOM 232 OG1 THR A 13 44.405 -2.727 5.100 1.00 0.00 O ATOM 233 CG2 THR A 13 45.251 -2.725 7.357 1.00 0.00 C ATOM 0 H THR A 13 45.478 -0.917 3.776 1.00 0.00 H new ATOM 0 HA THR A 13 44.622 -0.352 6.522 1.00 0.00 H new ATOM 0 HB THR A 13 46.410 -2.599 5.549 1.00 0.00 H new ATOM 0 HG1 THR A 13 44.411 -3.707 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 13 45.258 -3.815 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 13 46.056 -2.347 7.987 1.00 0.00 H new ATOM 0 HG23 THR A 13 44.295 -2.363 7.734 1.00 0.00 H new ATOM 241 N SER A 14 47.852 -0.584 5.816 1.00 0.00 N ATOM 242 CA SER A 14 49.188 -0.084 6.251 1.00 0.00 C ATOM 243 C SER A 14 50.193 -0.138 5.098 1.00 0.00 C ATOM 244 O SER A 14 51.382 -0.063 5.315 1.00 0.00 O ATOM 245 CB SER A 14 49.700 -0.930 7.416 1.00 0.00 C ATOM 246 OG SER A 14 48.754 -0.889 8.476 1.00 0.00 O ATOM 0 H SER A 14 47.868 -1.245 5.040 1.00 0.00 H new ATOM 0 HA SER A 14 49.080 0.953 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.857 -1.959 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 14 50.664 -0.553 7.758 1.00 0.00 H new ATOM 0 HG SER A 14 49.078 -1.432 9.225 1.00 0.00 H new ATOM 252 N ILE A 15 49.721 -0.228 3.883 1.00 0.00 N ATOM 253 CA ILE A 15 50.639 -0.261 2.701 1.00 0.00 C ATOM 254 C ILE A 15 49.880 0.237 1.467 1.00 0.00 C ATOM 255 O ILE A 15 49.587 -0.515 0.554 1.00 0.00 O ATOM 256 CB ILE A 15 51.179 -1.699 2.466 1.00 0.00 C ATOM 257 CG1 ILE A 15 52.209 -2.059 3.551 1.00 0.00 C ATOM 258 CG2 ILE A 15 51.870 -1.813 1.090 1.00 0.00 C ATOM 259 CD1 ILE A 15 53.384 -1.064 3.520 1.00 0.00 C ATOM 0 H ILE A 15 48.728 -0.281 3.654 1.00 0.00 H new ATOM 0 HA ILE A 15 51.494 0.389 2.889 1.00 0.00 H new ATOM 0 HB ILE A 15 50.330 -2.381 2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 15 51.735 -2.043 4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 15 52.577 -3.073 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 15 52.239 -2.829 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 15 51.154 -1.576 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 15 52.705 -1.114 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 15 54.106 -1.329 4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 15 53.867 -1.102 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 15 53.012 -0.056 3.702 1.00 0.00 H new ATOM 271 N GLU A 16 49.591 1.509 1.418 1.00 0.00 N ATOM 272 CA GLU A 16 48.903 2.068 0.234 1.00 0.00 C ATOM 273 C GLU A 16 49.882 1.973 -0.936 1.00 0.00 C ATOM 274 O GLU A 16 51.082 1.945 -0.737 1.00 0.00 O ATOM 275 CB GLU A 16 48.533 3.534 0.501 1.00 0.00 C ATOM 276 CG GLU A 16 47.706 4.094 -0.662 1.00 0.00 C ATOM 277 CD GLU A 16 46.260 3.603 -0.561 1.00 0.00 C ATOM 278 OE1 GLU A 16 46.061 2.400 -0.534 1.00 0.00 O ATOM 279 OE2 GLU A 16 45.373 4.441 -0.515 1.00 0.00 O ATOM 0 H GLU A 16 49.805 2.183 2.153 1.00 0.00 H new ATOM 0 HA GLU A 16 47.986 1.522 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 16 47.966 3.610 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 16 49.438 4.127 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 16 47.731 5.184 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 16 48.140 3.780 -1.612 1.00 0.00 H new ATOM 286 N ASN A 17 49.395 1.908 -2.140 1.00 0.00 N ATOM 287 CA ASN A 17 50.316 1.811 -3.313 1.00 0.00 C ATOM 288 C ASN A 17 51.230 3.043 -3.347 1.00 0.00 C ATOM 289 O ASN A 17 52.295 3.015 -3.935 1.00 0.00 O ATOM 290 CB ASN A 17 49.499 1.726 -4.608 1.00 0.00 C ATOM 291 CG ASN A 17 50.091 0.652 -5.524 1.00 0.00 C ATOM 292 OD1 ASN A 17 49.409 -0.278 -5.906 1.00 0.00 O ATOM 293 ND2 ASN A 17 51.339 0.741 -5.893 1.00 0.00 N ATOM 0 H ASN A 17 48.401 1.917 -2.368 1.00 0.00 H new ATOM 0 HA ASN A 17 50.927 0.913 -3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 17 48.460 1.489 -4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 17 49.502 2.691 -5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 17 51.743 0.030 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 17 51.911 1.522 -5.572 1.00 0.00 H new ATOM 300 N ARG A 18 50.829 4.114 -2.705 1.00 0.00 N ATOM 301 CA ARG A 18 51.678 5.332 -2.682 1.00 0.00 C ATOM 302 C ARG A 18 52.752 5.161 -1.609 1.00 0.00 C ATOM 303 O ARG A 18 53.842 5.677 -1.738 1.00 0.00 O ATOM 304 CB ARG A 18 50.817 6.559 -2.365 1.00 0.00 C ATOM 305 CG ARG A 18 51.290 7.748 -3.205 1.00 0.00 C ATOM 306 CD ARG A 18 52.325 8.556 -2.417 1.00 0.00 C ATOM 307 NE ARG A 18 51.657 9.717 -1.767 1.00 0.00 N ATOM 308 CZ ARG A 18 51.771 10.909 -2.285 1.00 0.00 C ATOM 309 NH1 ARG A 18 51.129 11.207 -3.381 1.00 0.00 N ATOM 310 NH2 ARG A 18 52.527 11.803 -1.710 1.00 0.00 N ATOM 0 H ARG A 18 49.948 4.191 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 18 52.147 5.475 -3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 18 49.769 6.345 -2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 18 50.886 6.800 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 18 51.725 7.395 -4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 18 50.442 8.381 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 18 52.797 7.926 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.115 8.903 -3.083 1.00 0.00 H new ATOM 0 HE ARG A 18 51.110 9.581 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 18 50.539 10.508 -3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 18 51.218 12.139 -3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 18 53.030 11.571 -0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 18 52.615 12.734 -2.117 1.00 0.00 H new ATOM 324 N VAL A 19 52.450 4.441 -0.550 1.00 0.00 N ATOM 325 CA VAL A 19 53.463 4.239 0.530 1.00 0.00 C ATOM 326 C VAL A 19 54.665 3.487 -0.033 1.00 0.00 C ATOM 327 O VAL A 19 55.792 3.838 0.229 1.00 0.00 O ATOM 328 CB VAL A 19 52.839 3.488 1.747 1.00 0.00 C ATOM 329 CG1 VAL A 19 53.107 1.964 1.742 1.00 0.00 C ATOM 330 CG2 VAL A 19 53.449 4.071 3.022 1.00 0.00 C ATOM 0 H VAL A 19 51.550 3.989 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 19 53.799 5.211 0.891 1.00 0.00 H new ATOM 0 HB VAL A 19 51.759 3.624 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 19 52.643 1.510 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 19 52.685 1.523 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 19 54.182 1.783 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 19 53.030 3.564 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 19 54.530 3.930 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 19 53.223 5.136 3.080 1.00 0.00 H new ATOM 340 N ARG A 20 54.421 2.435 -0.771 1.00 0.00 N ATOM 341 CA ARG A 20 55.552 1.636 -1.338 1.00 0.00 C ATOM 342 C ARG A 20 56.414 2.514 -2.227 1.00 0.00 C ATOM 343 O ARG A 20 57.626 2.562 -2.068 1.00 0.00 O ATOM 344 CB ARG A 20 54.999 0.459 -2.145 1.00 0.00 C ATOM 345 CG ARG A 20 54.623 -0.692 -1.200 1.00 0.00 C ATOM 346 CD ARG A 20 55.639 -1.829 -1.336 1.00 0.00 C ATOM 347 NE ARG A 20 55.253 -2.703 -2.480 1.00 0.00 N ATOM 348 CZ ARG A 20 56.096 -3.587 -2.940 1.00 0.00 C ATOM 349 NH1 ARG A 20 56.405 -4.630 -2.220 1.00 0.00 N ATOM 350 NH2 ARG A 20 56.627 -3.428 -4.121 1.00 0.00 N ATOM 0 H ARG A 20 53.489 2.094 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 20 56.164 1.254 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.124 0.775 -2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 20 55.742 0.120 -2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 20 54.598 -0.336 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 20 53.623 -1.056 -1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 20 56.638 -1.422 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 20 55.675 -2.411 -0.415 1.00 0.00 H new ATOM 0 HE ARG A 20 54.330 -2.610 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 20 55.988 -4.755 -1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 20 57.064 -5.321 -2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 20 56.383 -2.613 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 20 57.286 -4.118 -4.481 1.00 0.00 H new ATOM 364 N TRP A 21 55.826 3.220 -3.153 1.00 0.00 N ATOM 365 CA TRP A 21 56.671 4.087 -4.008 1.00 0.00 C ATOM 366 C TRP A 21 57.180 5.264 -3.160 1.00 0.00 C ATOM 367 O TRP A 21 58.138 5.922 -3.518 1.00 0.00 O ATOM 368 CB TRP A 21 55.922 4.516 -5.283 1.00 0.00 C ATOM 369 CG TRP A 21 56.499 3.720 -6.423 1.00 0.00 C ATOM 370 CD1 TRP A 21 56.775 4.187 -7.663 1.00 0.00 C ATOM 371 CD2 TRP A 21 56.925 2.322 -6.409 1.00 0.00 C ATOM 372 NE1 TRP A 21 57.348 3.164 -8.407 1.00 0.00 N ATOM 373 CE2 TRP A 21 57.463 1.996 -7.673 1.00 0.00 C ATOM 374 CE3 TRP A 21 56.897 1.315 -5.425 1.00 0.00 C ATOM 375 CZ2 TRP A 21 57.963 0.715 -7.942 1.00 0.00 C ATOM 376 CZ3 TRP A 21 57.395 0.037 -5.691 1.00 0.00 C ATOM 377 CH2 TRP A 21 57.932 -0.262 -6.947 1.00 0.00 C ATOM 0 H TRP A 21 54.825 3.233 -3.349 1.00 0.00 H new ATOM 0 HA TRP A 21 57.540 3.537 -4.368 1.00 0.00 H new ATOM 0 HB2 TRP A 21 54.853 4.328 -5.184 1.00 0.00 H new ATOM 0 HB3 TRP A 21 56.042 5.585 -5.459 1.00 0.00 H new ATOM 0 HD1 TRP A 21 56.582 5.189 -8.015 1.00 0.00 H new ATOM 0 HE1 TRP A 21 57.648 3.261 -9.377 1.00 0.00 H new ATOM 0 HE3 TRP A 21 56.485 1.534 -4.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 58.371 0.485 -8.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 57.365 -0.723 -4.924 1.00 0.00 H new ATOM 0 HH2 TRP A 21 58.323 -1.249 -7.147 1.00 0.00 H new ATOM 388 N SER A 22 56.609 5.466 -1.984 1.00 0.00 N ATOM 389 CA SER A 22 57.129 6.509 -1.066 1.00 0.00 C ATOM 390 C SER A 22 58.468 5.977 -0.557 1.00 0.00 C ATOM 391 O SER A 22 59.431 6.706 -0.425 1.00 0.00 O ATOM 392 CB SER A 22 56.167 6.725 0.108 1.00 0.00 C ATOM 393 OG SER A 22 56.001 8.121 0.327 1.00 0.00 O ATOM 0 H SER A 22 55.805 4.945 -1.634 1.00 0.00 H new ATOM 0 HA SER A 22 57.236 7.468 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 22 55.204 6.261 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 22 56.558 6.248 1.007 1.00 0.00 H new ATOM 0 HG SER A 22 55.385 8.264 1.076 1.00 0.00 H new ATOM 399 N LEU A 23 58.549 4.669 -0.331 1.00 0.00 N ATOM 400 CA LEU A 23 59.841 4.046 0.093 1.00 0.00 C ATOM 401 C LEU A 23 60.869 4.440 -0.957 1.00 0.00 C ATOM 402 O LEU A 23 61.957 4.875 -0.658 1.00 0.00 O ATOM 403 CB LEU A 23 59.742 2.507 0.088 1.00 0.00 C ATOM 404 CG LEU A 23 58.748 2.001 1.130 1.00 0.00 C ATOM 405 CD1 LEU A 23 58.174 0.667 0.648 1.00 0.00 C ATOM 406 CD2 LEU A 23 59.476 1.775 2.457 1.00 0.00 C ATOM 0 H LEU A 23 57.770 4.018 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 23 60.101 4.378 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.437 2.165 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.725 2.079 0.285 1.00 0.00 H new ATOM 0 HG LEU A 23 57.950 2.731 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 23 57.461 0.291 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 23 57.669 0.812 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 23 58.982 -0.054 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 23 58.768 1.414 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.265 1.036 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.913 2.714 2.797 1.00 0.00 H new ATOM 418 N GLU A 24 60.483 4.305 -2.201 1.00 0.00 N ATOM 419 CA GLU A 24 61.388 4.683 -3.335 1.00 0.00 C ATOM 420 C GLU A 24 61.897 6.119 -3.159 1.00 0.00 C ATOM 421 O GLU A 24 63.047 6.410 -3.413 1.00 0.00 O ATOM 422 CB GLU A 24 60.614 4.596 -4.655 1.00 0.00 C ATOM 423 CG GLU A 24 61.564 4.168 -5.776 1.00 0.00 C ATOM 424 CD GLU A 24 61.106 4.782 -7.100 1.00 0.00 C ATOM 425 OE1 GLU A 24 60.706 5.934 -7.089 1.00 0.00 O ATOM 426 OE2 GLU A 24 61.165 4.089 -8.103 1.00 0.00 O ATOM 0 H GLU A 24 59.571 3.946 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 24 62.236 3.998 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 24 59.797 3.881 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 24 60.167 5.562 -4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 24 62.580 4.489 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 24 61.583 3.081 -5.855 1.00 0.00 H new ATOM 433 N THR A 25 61.042 7.015 -2.739 1.00 0.00 N ATOM 434 CA THR A 25 61.462 8.437 -2.555 1.00 0.00 C ATOM 435 C THR A 25 62.520 8.535 -1.452 1.00 0.00 C ATOM 436 O THR A 25 63.424 9.347 -1.519 1.00 0.00 O ATOM 437 CB THR A 25 60.243 9.276 -2.165 1.00 0.00 C ATOM 438 OG1 THR A 25 59.099 8.796 -2.858 1.00 0.00 O ATOM 439 CG2 THR A 25 60.486 10.740 -2.532 1.00 0.00 C ATOM 0 H THR A 25 60.066 6.822 -2.514 1.00 0.00 H new ATOM 0 HA THR A 25 61.886 8.809 -3.488 1.00 0.00 H new ATOM 0 HB THR A 25 60.078 9.198 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 25 58.317 9.331 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 25 59.616 11.334 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 25 61.363 11.108 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 60.653 10.823 -3.606 1.00 0.00 H new ATOM 447 N MET A 26 62.404 7.725 -0.434 1.00 0.00 N ATOM 448 CA MET A 26 63.389 7.773 0.692 1.00 0.00 C ATOM 449 C MET A 26 64.734 7.171 0.259 1.00 0.00 C ATOM 450 O MET A 26 65.780 7.578 0.730 1.00 0.00 O ATOM 451 CB MET A 26 62.838 6.972 1.876 1.00 0.00 C ATOM 452 CG MET A 26 61.800 7.811 2.625 1.00 0.00 C ATOM 453 SD MET A 26 61.193 6.883 4.057 1.00 0.00 S ATOM 454 CE MET A 26 59.988 5.860 3.175 1.00 0.00 C ATOM 0 H MET A 26 61.667 7.028 -0.331 1.00 0.00 H new ATOM 0 HA MET A 26 63.545 8.813 0.979 1.00 0.00 H new ATOM 0 HB2 MET A 26 62.385 6.046 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 26 63.649 6.693 2.549 1.00 0.00 H new ATOM 0 HG2 MET A 26 62.243 8.752 2.950 1.00 0.00 H new ATOM 0 HG3 MET A 26 60.972 8.061 1.962 1.00 0.00 H new ATOM 0 HE1 MET A 26 59.018 5.937 3.665 1.00 0.00 H new ATOM 0 HE2 MET A 26 59.902 6.205 2.145 1.00 0.00 H new ATOM 0 HE3 MET A 26 60.318 4.821 3.183 1.00 0.00 H new ATOM 464 N PHE A 27 64.712 6.200 -0.616 1.00 0.00 N ATOM 465 CA PHE A 27 65.983 5.554 -1.068 1.00 0.00 C ATOM 466 C PHE A 27 66.547 6.257 -2.308 1.00 0.00 C ATOM 467 O PHE A 27 67.672 6.009 -2.702 1.00 0.00 O ATOM 468 CB PHE A 27 65.708 4.083 -1.392 1.00 0.00 C ATOM 469 CG PHE A 27 65.487 3.333 -0.100 1.00 0.00 C ATOM 470 CD1 PHE A 27 66.573 3.020 0.726 1.00 0.00 C ATOM 471 CD2 PHE A 27 64.193 2.963 0.279 1.00 0.00 C ATOM 472 CE1 PHE A 27 66.361 2.337 1.930 1.00 0.00 C ATOM 473 CE2 PHE A 27 63.982 2.279 1.478 1.00 0.00 C ATOM 474 CZ PHE A 27 65.064 1.968 2.304 1.00 0.00 C ATOM 0 H PHE A 27 63.864 5.824 -1.040 1.00 0.00 H new ATOM 0 HA PHE A 27 66.719 5.632 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 27 64.831 3.995 -2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 27 66.548 3.654 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 27 67.573 3.305 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 27 63.355 3.207 -0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 27 67.197 2.095 2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 27 62.982 1.991 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 27 64.900 1.442 3.233 1.00 0.00 H new ATOM 484 N LEU A 28 65.786 7.123 -2.931 1.00 0.00 N ATOM 485 CA LEU A 28 66.291 7.826 -4.144 1.00 0.00 C ATOM 486 C LEU A 28 66.973 9.148 -3.763 1.00 0.00 C ATOM 487 O LEU A 28 67.449 9.867 -4.622 1.00 0.00 O ATOM 488 CB LEU A 28 65.126 8.084 -5.097 1.00 0.00 C ATOM 489 CG LEU A 28 64.724 6.758 -5.748 1.00 0.00 C ATOM 490 CD1 LEU A 28 63.413 6.933 -6.513 1.00 0.00 C ATOM 491 CD2 LEU A 28 65.825 6.310 -6.713 1.00 0.00 C ATOM 0 H LEU A 28 64.838 7.371 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 28 67.032 7.197 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.282 8.511 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 28 65.414 8.808 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 28 64.588 6.003 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 28 63.132 5.986 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 28 62.629 7.248 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 28 63.542 7.690 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 28 65.540 5.366 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 28 65.962 7.067 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 28 66.758 6.178 -6.165 1.00 0.00 H new ATOM 503 N LYS A 29 67.046 9.470 -2.490 1.00 0.00 N ATOM 504 CA LYS A 29 67.719 10.738 -2.078 1.00 0.00 C ATOM 505 C LYS A 29 69.139 10.407 -1.616 1.00 0.00 C ATOM 506 O LYS A 29 70.085 11.113 -1.909 1.00 0.00 O ATOM 507 CB LYS A 29 66.932 11.414 -0.937 1.00 0.00 C ATOM 508 CG LYS A 29 66.941 10.541 0.330 1.00 0.00 C ATOM 509 CD LYS A 29 65.762 10.933 1.230 1.00 0.00 C ATOM 510 CE LYS A 29 66.075 12.243 1.964 1.00 0.00 C ATOM 511 NZ LYS A 29 65.177 13.322 1.462 1.00 0.00 N ATOM 0 H LYS A 29 66.669 8.910 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 29 67.755 11.428 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 29 67.369 12.388 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 29 65.904 11.591 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 29 66.871 9.488 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 29 67.881 10.670 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 29 64.859 11.049 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 29 65.565 10.140 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 29 65.939 12.112 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 29 67.117 12.520 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.389 14.210 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 65.328 13.453 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.186 13.057 1.634 1.00 0.00 H new ATOM 525 N CYS A 30 69.283 9.325 -0.901 1.00 0.00 N ATOM 526 CA CYS A 30 70.620 8.909 -0.411 1.00 0.00 C ATOM 527 C CYS A 30 70.720 7.373 -0.493 1.00 0.00 C ATOM 528 O CYS A 30 69.904 6.692 0.096 1.00 0.00 O ATOM 529 CB CYS A 30 70.787 9.350 1.045 1.00 0.00 C ATOM 530 SG CYS A 30 71.015 11.145 1.110 1.00 0.00 S ATOM 0 H CYS A 30 68.518 8.706 -0.634 1.00 0.00 H new ATOM 0 HA CYS A 30 71.399 9.368 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 30 69.911 9.063 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 30 71.645 8.847 1.492 1.00 0.00 H new ATOM 0 HG CYS A 30 70.846 11.647 -0.077 1.00 0.00 H new ATOM 536 N PRO A 31 71.709 6.845 -1.199 1.00 0.00 N ATOM 537 CA PRO A 31 71.887 5.388 -1.315 1.00 0.00 C ATOM 538 C PRO A 31 72.740 4.878 -0.150 1.00 0.00 C ATOM 539 O PRO A 31 73.437 3.887 -0.278 1.00 0.00 O ATOM 540 CB PRO A 31 72.675 5.226 -2.613 1.00 0.00 C ATOM 541 CG PRO A 31 73.417 6.565 -2.838 1.00 0.00 C ATOM 542 CD PRO A 31 72.722 7.617 -1.952 1.00 0.00 C ATOM 0 HA PRO A 31 70.943 4.843 -1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 31 73.380 4.398 -2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 31 72.009 5.005 -3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 31 74.470 6.472 -2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 31 73.377 6.857 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 31 73.430 8.104 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 31 72.260 8.401 -2.552 1.00 0.00 H new ATOM 550 N LYS A 32 72.721 5.559 0.972 1.00 0.00 N ATOM 551 CA LYS A 32 73.560 5.129 2.116 1.00 0.00 C ATOM 552 C LYS A 32 72.712 4.822 3.377 1.00 0.00 C ATOM 553 O LYS A 32 73.067 5.264 4.455 1.00 0.00 O ATOM 554 CB LYS A 32 74.546 6.261 2.436 1.00 0.00 C ATOM 555 CG LYS A 32 73.779 7.580 2.615 1.00 0.00 C ATOM 556 CD LYS A 32 74.686 8.608 3.293 1.00 0.00 C ATOM 557 CE LYS A 32 73.861 9.826 3.712 1.00 0.00 C ATOM 558 NZ LYS A 32 73.099 9.507 4.952 1.00 0.00 N ATOM 0 H LYS A 32 72.158 6.393 1.137 1.00 0.00 H new ATOM 0 HA LYS A 32 74.080 4.212 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 32 75.102 6.026 3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 32 75.275 6.359 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 32 73.447 7.954 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 32 72.885 7.415 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 32 75.166 8.164 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 32 75.481 8.912 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 32 74.516 10.680 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 32 73.175 10.106 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 72.716 10.384 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 72.316 8.862 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 73.732 9.052 5.641 1.00 0.00 H new ATOM 572 N PRO A 33 71.632 4.061 3.254 1.00 0.00 N ATOM 573 CA PRO A 33 70.812 3.720 4.430 1.00 0.00 C ATOM 574 C PRO A 33 71.518 2.636 5.250 1.00 0.00 C ATOM 575 O PRO A 33 72.266 1.837 4.718 1.00 0.00 O ATOM 576 CB PRO A 33 69.509 3.185 3.836 1.00 0.00 C ATOM 577 CG PRO A 33 69.848 2.714 2.407 1.00 0.00 C ATOM 578 CD PRO A 33 71.121 3.478 1.986 1.00 0.00 C ATOM 0 HA PRO A 33 70.643 4.566 5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 33 69.118 2.362 4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 33 68.742 3.960 3.819 1.00 0.00 H new ATOM 0 HG2 PRO A 33 70.016 1.637 2.383 1.00 0.00 H new ATOM 0 HG3 PRO A 33 69.025 2.924 1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 33 71.853 2.811 1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 33 70.896 4.253 1.253 1.00 0.00 H new ATOM 586 N SER A 34 71.281 2.600 6.534 1.00 0.00 N ATOM 587 CA SER A 34 71.925 1.569 7.392 1.00 0.00 C ATOM 588 C SER A 34 71.058 0.324 7.406 1.00 0.00 C ATOM 589 O SER A 34 69.851 0.412 7.352 1.00 0.00 O ATOM 590 CB SER A 34 72.060 2.104 8.819 1.00 0.00 C ATOM 591 OG SER A 34 73.213 2.930 8.906 1.00 0.00 O ATOM 0 H SER A 34 70.664 3.246 7.027 1.00 0.00 H new ATOM 0 HA SER A 34 72.913 1.330 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 34 71.171 2.672 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 34 72.138 1.276 9.524 1.00 0.00 H new ATOM 0 HG SER A 34 73.300 3.275 9.819 1.00 0.00 H new ATOM 597 N LEU A 35 71.656 -0.840 7.514 1.00 0.00 N ATOM 598 CA LEU A 35 70.841 -2.094 7.584 1.00 0.00 C ATOM 599 C LEU A 35 69.897 -1.979 8.784 1.00 0.00 C ATOM 600 O LEU A 35 68.822 -2.556 8.816 1.00 0.00 O ATOM 601 CB LEU A 35 71.766 -3.298 7.780 1.00 0.00 C ATOM 602 CG LEU A 35 72.461 -3.630 6.451 1.00 0.00 C ATOM 603 CD1 LEU A 35 73.981 -3.506 6.612 1.00 0.00 C ATOM 604 CD2 LEU A 35 72.114 -5.061 6.025 1.00 0.00 C ATOM 0 H LEU A 35 72.666 -0.975 7.556 1.00 0.00 H new ATOM 0 HA LEU A 35 70.274 -2.228 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 35 72.509 -3.078 8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 35 71.193 -4.158 8.128 1.00 0.00 H new ATOM 0 HG LEU A 35 72.117 -2.930 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 35 74.468 -3.743 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 35 74.234 -2.487 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 35 74.323 -4.200 7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 35 72.610 -5.290 5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 35 72.450 -5.760 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.035 -5.152 5.899 1.00 0.00 H new ATOM 616 N GLN A 36 70.294 -1.196 9.756 1.00 0.00 N ATOM 617 CA GLN A 36 69.435 -0.986 10.953 1.00 0.00 C ATOM 618 C GLN A 36 68.252 -0.127 10.525 1.00 0.00 C ATOM 619 O GLN A 36 67.123 -0.369 10.906 1.00 0.00 O ATOM 620 CB GLN A 36 70.241 -0.270 12.046 1.00 0.00 C ATOM 621 CG GLN A 36 69.969 -0.924 13.404 1.00 0.00 C ATOM 622 CD GLN A 36 68.846 -0.170 14.119 1.00 0.00 C ATOM 623 OE1 GLN A 36 67.782 -0.713 14.346 1.00 0.00 O ATOM 624 NE2 GLN A 36 69.037 1.068 14.486 1.00 0.00 N ATOM 0 H GLN A 36 71.181 -0.693 9.768 1.00 0.00 H new ATOM 0 HA GLN A 36 69.086 -1.938 11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 36 71.305 -0.318 11.816 1.00 0.00 H new ATOM 0 HB3 GLN A 36 69.969 0.785 12.079 1.00 0.00 H new ATOM 0 HG2 GLN A 36 69.690 -1.969 13.267 1.00 0.00 H new ATOM 0 HG3 GLN A 36 70.873 -0.913 14.012 1.00 0.00 H new ATOM 0 HE21 GLN A 36 69.929 1.524 14.296 1.00 0.00 H new ATOM 0 HE22 GLN A 36 68.294 1.579 14.963 1.00 0.00 H new ATOM 633 N GLN A 37 68.511 0.868 9.715 1.00 0.00 N ATOM 634 CA GLN A 37 67.418 1.749 9.224 1.00 0.00 C ATOM 635 C GLN A 37 66.454 0.920 8.370 1.00 0.00 C ATOM 636 O GLN A 37 65.278 1.214 8.305 1.00 0.00 O ATOM 637 CB GLN A 37 68.004 2.883 8.380 1.00 0.00 C ATOM 638 CG GLN A 37 66.890 3.860 7.998 1.00 0.00 C ATOM 639 CD GLN A 37 67.387 4.795 6.893 1.00 0.00 C ATOM 640 OE1 GLN A 37 67.135 4.563 5.728 1.00 0.00 O ATOM 641 NE2 GLN A 37 68.086 5.850 7.212 1.00 0.00 N ATOM 0 H GLN A 37 69.442 1.106 9.372 1.00 0.00 H new ATOM 0 HA GLN A 37 66.885 2.177 10.073 1.00 0.00 H new ATOM 0 HB2 GLN A 37 68.782 3.402 8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 37 68.472 2.479 7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.012 3.311 7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 37 66.585 4.439 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 37 68.298 6.045 8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.421 6.480 6.483 1.00 0.00 H new ATOM 650 N ILE A 38 66.937 -0.128 7.734 1.00 0.00 N ATOM 651 CA ILE A 38 66.032 -0.984 6.912 1.00 0.00 C ATOM 652 C ILE A 38 65.132 -1.746 7.877 1.00 0.00 C ATOM 653 O ILE A 38 63.972 -1.971 7.601 1.00 0.00 O ATOM 654 CB ILE A 38 66.861 -1.932 6.007 1.00 0.00 C ATOM 655 CG1 ILE A 38 67.364 -1.150 4.780 1.00 0.00 C ATOM 656 CG2 ILE A 38 66.014 -3.122 5.517 1.00 0.00 C ATOM 657 CD1 ILE A 38 66.175 -0.563 4.002 1.00 0.00 C ATOM 0 H ILE A 38 67.914 -0.421 7.752 1.00 0.00 H new ATOM 0 HA ILE A 38 65.417 -0.383 6.241 1.00 0.00 H new ATOM 0 HB ILE A 38 67.697 -2.315 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 38 68.031 -0.349 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 38 67.943 -1.808 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 38 66.624 -3.767 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 38 65.654 -3.690 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 38 65.164 -2.752 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 38 66.543 -0.012 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 38 65.524 -1.371 3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 38 65.614 0.111 4.649 1.00 0.00 H new ATOM 669 N THR A 39 65.645 -2.094 9.027 1.00 0.00 N ATOM 670 CA THR A 39 64.792 -2.779 10.042 1.00 0.00 C ATOM 671 C THR A 39 63.712 -1.774 10.467 1.00 0.00 C ATOM 672 O THR A 39 62.569 -2.123 10.713 1.00 0.00 O ATOM 673 CB THR A 39 65.638 -3.184 11.254 1.00 0.00 C ATOM 674 OG1 THR A 39 66.991 -3.350 10.854 1.00 0.00 O ATOM 675 CG2 THR A 39 65.109 -4.499 11.830 1.00 0.00 C ATOM 0 H THR A 39 66.613 -1.935 9.307 1.00 0.00 H new ATOM 0 HA THR A 39 64.345 -3.683 9.629 1.00 0.00 H new ATOM 0 HB THR A 39 65.578 -2.406 12.015 1.00 0.00 H new ATOM 0 HG1 THR A 39 67.532 -3.607 11.629 1.00 0.00 H new ATOM 0 HG21 THR A 39 65.711 -4.787 12.692 1.00 0.00 H new ATOM 0 HG22 THR A 39 64.072 -4.370 12.139 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.167 -5.278 11.070 1.00 0.00 H new ATOM 683 N HIS A 40 64.076 -0.511 10.506 1.00 0.00 N ATOM 684 CA HIS A 40 63.101 0.555 10.858 1.00 0.00 C ATOM 685 C HIS A 40 62.116 0.711 9.699 1.00 0.00 C ATOM 686 O HIS A 40 60.984 1.101 9.900 1.00 0.00 O ATOM 687 CB HIS A 40 63.845 1.875 11.095 1.00 0.00 C ATOM 688 CG HIS A 40 63.229 2.606 12.257 1.00 0.00 C ATOM 689 ND1 HIS A 40 63.090 2.023 13.507 1.00 0.00 N ATOM 690 CD2 HIS A 40 62.714 3.874 12.377 1.00 0.00 C ATOM 691 CE1 HIS A 40 62.515 2.930 14.317 1.00 0.00 C ATOM 692 NE2 HIS A 40 62.265 4.077 13.678 1.00 0.00 N ATOM 0 H HIS A 40 65.019 -0.178 10.306 1.00 0.00 H new ATOM 0 HA HIS A 40 62.563 0.289 11.768 1.00 0.00 H new ATOM 0 HB2 HIS A 40 64.898 1.679 11.294 1.00 0.00 H new ATOM 0 HB3 HIS A 40 63.800 2.494 10.199 1.00 0.00 H new ATOM 0 HD2 HIS A 40 62.665 4.603 11.582 1.00 0.00 H new ATOM 0 HE1 HIS A 40 62.284 2.753 15.357 1.00 0.00 H new ATOM 0 HE2 HIS A 40 61.837 4.920 14.062 1.00 0.00 H new ATOM 700 N ILE A 41 62.524 0.376 8.488 1.00 0.00 N ATOM 701 CA ILE A 41 61.580 0.469 7.335 1.00 0.00 C ATOM 702 C ILE A 41 60.484 -0.570 7.591 1.00 0.00 C ATOM 703 O ILE A 41 59.323 -0.289 7.487 1.00 0.00 O ATOM 704 CB ILE A 41 62.316 0.176 5.986 1.00 0.00 C ATOM 705 CG1 ILE A 41 62.684 1.500 5.296 1.00 0.00 C ATOM 706 CG2 ILE A 41 61.419 -0.628 5.013 1.00 0.00 C ATOM 707 CD1 ILE A 41 63.958 2.087 5.912 1.00 0.00 C ATOM 0 H ILE A 41 63.462 0.047 8.258 1.00 0.00 H new ATOM 0 HA ILE A 41 61.161 1.472 7.252 1.00 0.00 H new ATOM 0 HB ILE A 41 63.207 -0.406 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 41 62.832 1.333 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 41 61.863 2.210 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 41 61.962 -0.814 4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 41 61.147 -1.579 5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 41 60.516 -0.058 4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 41 64.205 3.024 5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 41 63.796 2.273 6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 41 64.780 1.382 5.788 1.00 0.00 H new ATOM 719 N ALA A 42 60.877 -1.771 7.928 1.00 0.00 N ATOM 720 CA ALA A 42 59.903 -2.873 8.185 1.00 0.00 C ATOM 721 C ALA A 42 58.845 -2.423 9.183 1.00 0.00 C ATOM 722 O ALA A 42 57.667 -2.433 8.891 1.00 0.00 O ATOM 723 CB ALA A 42 60.648 -4.085 8.747 1.00 0.00 C ATOM 0 H ALA A 42 61.855 -2.040 8.038 1.00 0.00 H new ATOM 0 HA ALA A 42 59.414 -3.139 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 42 59.940 -4.892 8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 42 61.395 -4.419 8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 42 61.141 -3.809 9.679 1.00 0.00 H new ATOM 729 N ASN A 43 59.260 -2.005 10.347 1.00 0.00 N ATOM 730 CA ASN A 43 58.273 -1.514 11.351 1.00 0.00 C ATOM 731 C ASN A 43 57.587 -0.256 10.788 1.00 0.00 C ATOM 732 O ASN A 43 56.524 0.137 11.227 1.00 0.00 O ATOM 733 CB ASN A 43 58.994 -1.163 12.656 1.00 0.00 C ATOM 734 CG ASN A 43 59.756 -2.387 13.170 1.00 0.00 C ATOM 735 OD1 ASN A 43 60.709 -2.826 12.557 1.00 0.00 O ATOM 736 ND2 ASN A 43 59.376 -2.958 14.280 1.00 0.00 N ATOM 0 H ASN A 43 60.235 -1.982 10.646 1.00 0.00 H new ATOM 0 HA ASN A 43 57.532 -2.287 11.553 1.00 0.00 H new ATOM 0 HB2 ASN A 43 59.684 -0.336 12.490 1.00 0.00 H new ATOM 0 HB3 ASN A 43 58.273 -0.831 13.403 1.00 0.00 H new ATOM 0 HD21 ASN A 43 59.879 -3.772 14.633 1.00 0.00 H new ATOM 0 HD22 ASN A 43 58.576 -2.590 14.795 1.00 0.00 H new ATOM 743 N GLN A 44 58.214 0.384 9.828 1.00 0.00 N ATOM 744 CA GLN A 44 57.648 1.628 9.227 1.00 0.00 C ATOM 745 C GLN A 44 56.569 1.325 8.164 1.00 0.00 C ATOM 746 O GLN A 44 55.761 2.184 7.858 1.00 0.00 O ATOM 747 CB GLN A 44 58.787 2.432 8.590 1.00 0.00 C ATOM 748 CG GLN A 44 59.445 3.344 9.631 1.00 0.00 C ATOM 749 CD GLN A 44 58.636 4.633 9.766 1.00 0.00 C ATOM 750 OE1 GLN A 44 57.909 4.810 10.723 1.00 0.00 O ATOM 751 NE2 GLN A 44 58.733 5.549 8.841 1.00 0.00 N ATOM 0 H GLN A 44 59.107 0.090 9.432 1.00 0.00 H new ATOM 0 HA GLN A 44 57.168 2.200 10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 44 59.530 1.753 8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 44 58.401 3.031 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 44 59.500 2.835 10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 44 60.468 3.574 9.333 1.00 0.00 H new ATOM 0 HE21 GLN A 44 59.344 5.400 8.038 1.00 0.00 H new ATOM 0 HE22 GLN A 44 58.198 6.414 8.922 1.00 0.00 H new ATOM 760 N LEU A 45 56.530 0.135 7.598 1.00 0.00 N ATOM 761 CA LEU A 45 55.476 -0.162 6.566 1.00 0.00 C ATOM 762 C LEU A 45 54.916 -1.591 6.746 1.00 0.00 C ATOM 763 O LEU A 45 54.305 -2.138 5.849 1.00 0.00 O ATOM 764 CB LEU A 45 56.057 0.056 5.139 1.00 0.00 C ATOM 765 CG LEU A 45 56.844 -1.161 4.636 1.00 0.00 C ATOM 766 CD1 LEU A 45 57.118 -1.037 3.136 1.00 0.00 C ATOM 767 CD2 LEU A 45 58.157 -1.210 5.377 1.00 0.00 C ATOM 0 H LEU A 45 57.171 -0.632 7.802 1.00 0.00 H new ATOM 0 HA LEU A 45 54.642 0.527 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 45 55.243 0.270 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 45 56.709 0.930 5.144 1.00 0.00 H new ATOM 0 HG LEU A 45 56.266 -2.068 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 45 57.677 -1.908 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 45 56.172 -0.979 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 45 57.700 -0.135 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 45 58.735 -2.069 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 45 58.718 -0.295 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 45 57.968 -1.302 6.447 1.00 0.00 H new ATOM 779 N GLY A 46 55.105 -2.186 7.896 1.00 0.00 N ATOM 780 CA GLY A 46 54.569 -3.563 8.137 1.00 0.00 C ATOM 781 C GLY A 46 55.186 -4.585 7.167 1.00 0.00 C ATOM 782 O GLY A 46 54.627 -5.643 6.947 1.00 0.00 O ATOM 0 H GLY A 46 55.609 -1.777 8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 46 54.779 -3.862 9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.485 -3.558 8.021 1.00 0.00 H new ATOM 786 N LEU A 47 56.333 -4.295 6.598 1.00 0.00 N ATOM 787 CA LEU A 47 56.978 -5.275 5.660 1.00 0.00 C ATOM 788 C LEU A 47 58.152 -5.943 6.366 1.00 0.00 C ATOM 789 O LEU A 47 58.975 -5.275 6.957 1.00 0.00 O ATOM 790 CB LEU A 47 57.529 -4.551 4.419 1.00 0.00 C ATOM 791 CG LEU A 47 56.592 -4.750 3.228 1.00 0.00 C ATOM 792 CD1 LEU A 47 55.381 -3.842 3.390 1.00 0.00 C ATOM 793 CD2 LEU A 47 57.325 -4.386 1.929 1.00 0.00 C ATOM 0 H LEU A 47 56.850 -3.427 6.740 1.00 0.00 H new ATOM 0 HA LEU A 47 56.230 -6.008 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 47 57.639 -3.487 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 47 58.521 -4.933 4.178 1.00 0.00 H new ATOM 0 HG LEU A 47 56.273 -5.791 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 47 54.708 -3.979 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 47 54.859 -4.093 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 47 55.708 -2.803 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 47 56.655 -4.529 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 47 57.642 -3.344 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 47 58.199 -5.027 1.813 1.00 0.00 H new ATOM 805 N GLU A 48 58.273 -7.244 6.275 1.00 0.00 N ATOM 806 CA GLU A 48 59.443 -7.912 6.908 1.00 0.00 C ATOM 807 C GLU A 48 60.681 -7.457 6.141 1.00 0.00 C ATOM 808 O GLU A 48 60.573 -6.687 5.203 1.00 0.00 O ATOM 809 CB GLU A 48 59.309 -9.439 6.841 1.00 0.00 C ATOM 810 CG GLU A 48 59.073 -9.896 5.399 1.00 0.00 C ATOM 811 CD GLU A 48 58.073 -11.053 5.383 1.00 0.00 C ATOM 812 OE1 GLU A 48 57.019 -10.906 5.979 1.00 0.00 O ATOM 813 OE2 GLU A 48 58.377 -12.066 4.775 1.00 0.00 O ATOM 0 H GLU A 48 57.619 -7.863 5.795 1.00 0.00 H new ATOM 0 HA GLU A 48 59.510 -7.643 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.212 -9.906 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 48 58.482 -9.765 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 48 58.694 -9.067 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.014 -10.210 4.948 1.00 0.00 H new ATOM 820 N LYS A 49 61.845 -7.898 6.520 1.00 0.00 N ATOM 821 CA LYS A 49 63.065 -7.451 5.786 1.00 0.00 C ATOM 822 C LYS A 49 63.245 -8.274 4.505 1.00 0.00 C ATOM 823 O LYS A 49 64.013 -7.906 3.638 1.00 0.00 O ATOM 824 CB LYS A 49 64.299 -7.584 6.680 1.00 0.00 C ATOM 825 CG LYS A 49 65.180 -6.330 6.540 1.00 0.00 C ATOM 826 CD LYS A 49 66.421 -6.657 5.702 1.00 0.00 C ATOM 827 CE LYS A 49 67.555 -7.113 6.622 1.00 0.00 C ATOM 828 NZ LYS A 49 68.696 -7.614 5.802 1.00 0.00 N ATOM 0 H LYS A 49 62.007 -8.540 7.296 1.00 0.00 H new ATOM 0 HA LYS A 49 62.944 -6.403 5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 49 63.995 -7.712 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 49 64.867 -8.472 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.613 -5.527 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.479 -5.973 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 49 66.189 -7.439 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 49 66.730 -5.780 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 49 67.882 -6.285 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 49 67.201 -7.899 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 69.465 -7.923 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 68.380 -8.416 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 69.040 -6.852 5.183 1.00 0.00 H new ATOM 842 N ASP A 50 62.538 -9.373 4.365 1.00 0.00 N ATOM 843 CA ASP A 50 62.669 -10.193 3.126 1.00 0.00 C ATOM 844 C ASP A 50 61.885 -9.512 2.002 1.00 0.00 C ATOM 845 O ASP A 50 62.369 -9.366 0.895 1.00 0.00 O ATOM 846 CB ASP A 50 62.103 -11.595 3.371 1.00 0.00 C ATOM 847 CG ASP A 50 62.374 -12.477 2.150 1.00 0.00 C ATOM 848 OD1 ASP A 50 63.497 -12.932 2.011 1.00 0.00 O ATOM 849 OD2 ASP A 50 61.454 -12.682 1.376 1.00 0.00 O ATOM 0 H ASP A 50 61.879 -9.733 5.056 1.00 0.00 H new ATOM 0 HA ASP A 50 63.720 -10.279 2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 50 62.561 -12.033 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 50 61.031 -11.538 3.561 1.00 0.00 H new ATOM 854 N VAL A 51 60.683 -9.078 2.290 1.00 0.00 N ATOM 855 CA VAL A 51 59.861 -8.387 1.254 1.00 0.00 C ATOM 856 C VAL A 51 60.489 -7.025 0.971 1.00 0.00 C ATOM 857 O VAL A 51 60.524 -6.564 -0.153 1.00 0.00 O ATOM 858 CB VAL A 51 58.422 -8.195 1.775 1.00 0.00 C ATOM 859 CG1 VAL A 51 58.443 -7.371 3.063 1.00 0.00 C ATOM 860 CG2 VAL A 51 57.577 -7.448 0.735 1.00 0.00 C ATOM 0 H VAL A 51 60.236 -9.174 3.202 1.00 0.00 H new ATOM 0 HA VAL A 51 59.829 -8.983 0.342 1.00 0.00 H new ATOM 0 HB VAL A 51 57.990 -9.178 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 51 57.424 -7.238 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 51 59.033 -7.891 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 51 58.887 -6.396 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 51 56.563 -7.319 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 51 58.019 -6.471 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 51 57.547 -8.023 -0.191 1.00 0.00 H new ATOM 870 N VAL A 52 60.966 -6.376 1.999 1.00 0.00 N ATOM 871 CA VAL A 52 61.576 -5.034 1.817 1.00 0.00 C ATOM 872 C VAL A 52 62.856 -5.156 0.971 1.00 0.00 C ATOM 873 O VAL A 52 63.187 -4.269 0.206 1.00 0.00 O ATOM 874 CB VAL A 52 61.826 -4.408 3.214 1.00 0.00 C ATOM 875 CG1 VAL A 52 63.238 -4.695 3.748 1.00 0.00 C ATOM 876 CG2 VAL A 52 61.599 -2.893 3.129 1.00 0.00 C ATOM 0 H VAL A 52 60.958 -6.721 2.959 1.00 0.00 H new ATOM 0 HA VAL A 52 60.907 -4.368 1.273 1.00 0.00 H new ATOM 0 HB VAL A 52 61.125 -4.864 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 52 63.357 -4.233 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 52 63.382 -5.772 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 52 63.977 -4.284 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 52 61.772 -2.444 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 52 62.289 -2.462 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 52 60.574 -2.696 2.816 1.00 0.00 H new ATOM 886 N ARG A 53 63.561 -6.252 1.095 1.00 0.00 N ATOM 887 CA ARG A 53 64.804 -6.438 0.289 1.00 0.00 C ATOM 888 C ARG A 53 64.422 -6.768 -1.156 1.00 0.00 C ATOM 889 O ARG A 53 65.151 -6.466 -2.081 1.00 0.00 O ATOM 890 CB ARG A 53 65.636 -7.585 0.872 1.00 0.00 C ATOM 891 CG ARG A 53 67.127 -7.264 0.726 1.00 0.00 C ATOM 892 CD ARG A 53 67.667 -7.861 -0.578 1.00 0.00 C ATOM 893 NE ARG A 53 68.689 -8.900 -0.264 1.00 0.00 N ATOM 894 CZ ARG A 53 69.927 -8.733 -0.644 1.00 0.00 C ATOM 895 NH1 ARG A 53 70.308 -9.135 -1.825 1.00 0.00 N ATOM 896 NH2 ARG A 53 70.783 -8.164 0.160 1.00 0.00 N ATOM 0 H ARG A 53 63.329 -7.025 1.719 1.00 0.00 H new ATOM 0 HA ARG A 53 65.393 -5.521 0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 53 65.386 -7.731 1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 53 65.402 -8.516 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 53 67.277 -6.184 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 53 67.679 -7.666 1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 53 66.852 -8.300 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 53 68.107 -7.077 -1.194 1.00 0.00 H new ATOM 0 HE ARG A 53 68.421 -9.741 0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 53 69.639 -9.580 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 53 71.275 -9.004 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 53 70.485 -7.851 1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 53 71.750 -8.033 -0.135 1.00 0.00 H new ATOM 910 N VAL A 54 63.282 -7.387 -1.355 1.00 0.00 N ATOM 911 CA VAL A 54 62.848 -7.738 -2.740 1.00 0.00 C ATOM 912 C VAL A 54 62.512 -6.461 -3.507 1.00 0.00 C ATOM 913 O VAL A 54 62.959 -6.278 -4.625 1.00 0.00 O ATOM 914 CB VAL A 54 61.619 -8.656 -2.679 1.00 0.00 C ATOM 915 CG1 VAL A 54 61.186 -9.051 -4.101 1.00 0.00 C ATOM 916 CG2 VAL A 54 61.970 -9.917 -1.876 1.00 0.00 C ATOM 0 H VAL A 54 62.635 -7.663 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 54 63.655 -8.261 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 54 60.798 -8.129 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 54 60.314 -9.702 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 54 60.935 -8.154 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 54 62.002 -9.577 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 54 61.100 -10.573 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 54 62.793 -10.440 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 54 62.266 -9.634 -0.866 1.00 0.00 H new ATOM 926 N TRP A 55 61.744 -5.568 -2.924 1.00 0.00 N ATOM 927 CA TRP A 55 61.415 -4.306 -3.647 1.00 0.00 C ATOM 928 C TRP A 55 62.718 -3.524 -3.855 1.00 0.00 C ATOM 929 O TRP A 55 62.884 -2.870 -4.866 1.00 0.00 O ATOM 930 CB TRP A 55 60.396 -3.451 -2.850 1.00 0.00 C ATOM 931 CG TRP A 55 60.403 -2.033 -3.372 1.00 0.00 C ATOM 932 CD1 TRP A 55 59.782 -1.594 -4.499 1.00 0.00 C ATOM 933 CD2 TRP A 55 61.113 -0.882 -2.830 1.00 0.00 C ATOM 934 NE1 TRP A 55 60.068 -0.251 -4.664 1.00 0.00 N ATOM 935 CE2 TRP A 55 60.873 0.229 -3.665 1.00 0.00 C ATOM 936 CE3 TRP A 55 61.929 -0.690 -1.703 1.00 0.00 C ATOM 937 CZ2 TRP A 55 61.419 1.477 -3.401 1.00 0.00 C ATOM 938 CZ3 TRP A 55 62.485 0.570 -1.439 1.00 0.00 C ATOM 939 CH2 TRP A 55 62.233 1.649 -2.287 1.00 0.00 C ATOM 0 H TRP A 55 61.338 -5.660 -1.993 1.00 0.00 H new ATOM 0 HA TRP A 55 60.956 -4.545 -4.606 1.00 0.00 H new ATOM 0 HB2 TRP A 55 59.397 -3.878 -2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 55 60.650 -3.460 -1.790 1.00 0.00 H new ATOM 0 HD1 TRP A 55 59.168 -2.193 -5.155 1.00 0.00 H new ATOM 0 HE1 TRP A 55 59.721 0.315 -5.438 1.00 0.00 H new ATOM 0 HE3 TRP A 55 62.129 -1.516 -1.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 61.213 2.310 -4.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 63.114 0.706 -0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 55 62.669 2.615 -2.079 1.00 0.00 H new ATOM 950 N PHE A 56 63.629 -3.567 -2.907 1.00 0.00 N ATOM 951 CA PHE A 56 64.888 -2.797 -3.089 1.00 0.00 C ATOM 952 C PHE A 56 65.861 -3.554 -3.986 1.00 0.00 C ATOM 953 O PHE A 56 66.825 -2.985 -4.461 1.00 0.00 O ATOM 954 CB PHE A 56 65.549 -2.453 -1.747 1.00 0.00 C ATOM 955 CG PHE A 56 66.235 -1.106 -1.892 1.00 0.00 C ATOM 956 CD1 PHE A 56 65.502 -0.005 -2.350 1.00 0.00 C ATOM 957 CD2 PHE A 56 67.595 -0.960 -1.600 1.00 0.00 C ATOM 958 CE1 PHE A 56 66.115 1.231 -2.522 1.00 0.00 C ATOM 959 CE2 PHE A 56 68.212 0.287 -1.768 1.00 0.00 C ATOM 960 CZ PHE A 56 67.466 1.381 -2.233 1.00 0.00 C ATOM 0 H PHE A 56 63.552 -4.092 -2.036 1.00 0.00 H new ATOM 0 HA PHE A 56 64.624 -1.857 -3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 56 64.803 -2.417 -0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 56 66.272 -3.221 -1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 56 64.451 -0.117 -2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 56 68.167 -1.805 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 56 65.542 2.074 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 56 69.261 0.406 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 56 67.943 2.341 -2.366 1.00 0.00 H new ATOM 970 N CYS A 57 65.602 -4.807 -4.272 1.00 0.00 N ATOM 971 CA CYS A 57 66.500 -5.545 -5.201 1.00 0.00 C ATOM 972 C CYS A 57 66.259 -4.957 -6.589 1.00 0.00 C ATOM 973 O CYS A 57 67.171 -4.772 -7.372 1.00 0.00 O ATOM 974 CB CYS A 57 66.156 -7.036 -5.193 1.00 0.00 C ATOM 975 SG CYS A 57 67.292 -7.918 -4.093 1.00 0.00 S ATOM 0 H CYS A 57 64.815 -5.342 -3.905 1.00 0.00 H new ATOM 0 HA CYS A 57 67.544 -5.446 -4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 57 65.128 -7.180 -4.861 1.00 0.00 H new ATOM 0 HB3 CYS A 57 66.225 -7.440 -6.203 1.00 0.00 H new ATOM 0 HG CYS A 57 66.995 -9.184 -4.087 1.00 0.00 H new ATOM 981 N ASN A 58 65.023 -4.627 -6.870 1.00 0.00 N ATOM 982 CA ASN A 58 64.685 -4.004 -8.176 1.00 0.00 C ATOM 983 C ASN A 58 64.983 -2.501 -8.092 1.00 0.00 C ATOM 984 O ASN A 58 65.314 -1.873 -9.080 1.00 0.00 O ATOM 985 CB ASN A 58 63.201 -4.221 -8.478 1.00 0.00 C ATOM 986 CG ASN A 58 62.966 -5.686 -8.851 1.00 0.00 C ATOM 987 OD1 ASN A 58 63.044 -6.559 -8.010 1.00 0.00 O ATOM 988 ND2 ASN A 58 62.682 -5.994 -10.086 1.00 0.00 N ATOM 0 H ASN A 58 64.231 -4.766 -6.242 1.00 0.00 H new ATOM 0 HA ASN A 58 65.277 -4.456 -8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.599 -3.955 -7.609 1.00 0.00 H new ATOM 0 HB3 ASN A 58 62.886 -3.572 -9.295 1.00 0.00 H new ATOM 0 HD21 ASN A 58 62.525 -6.968 -10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 58 62.616 -5.261 -10.792 1.00 0.00 H new ATOM 995 N ARG A 59 64.888 -1.922 -6.910 1.00 0.00 N ATOM 996 CA ARG A 59 65.191 -0.465 -6.764 1.00 0.00 C ATOM 997 C ARG A 59 66.714 -0.260 -6.833 1.00 0.00 C ATOM 998 O ARG A 59 67.184 0.840 -7.054 1.00 0.00 O ATOM 999 CB ARG A 59 64.638 0.089 -5.423 1.00 0.00 C ATOM 1000 CG ARG A 59 63.766 1.327 -5.674 1.00 0.00 C ATOM 1001 CD ARG A 59 64.543 2.405 -6.450 1.00 0.00 C ATOM 1002 NE ARG A 59 65.495 3.099 -5.534 1.00 0.00 N ATOM 1003 CZ ARG A 59 66.702 3.404 -5.943 1.00 0.00 C ATOM 1004 NH1 ARG A 59 66.915 3.723 -7.192 1.00 0.00 N ATOM 1005 NH2 ARG A 59 67.695 3.396 -5.098 1.00 0.00 N ATOM 0 H ARG A 59 64.615 -2.397 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 59 64.706 0.079 -7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 59 64.053 -0.680 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.464 0.347 -4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 59 62.876 1.041 -6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 59 63.425 1.734 -4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 59 65.087 1.950 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 59 63.849 3.126 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 59 65.205 3.337 -4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 59 66.140 3.736 -7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 59 67.857 3.959 -7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 59 67.531 3.153 -4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 59 68.635 3.633 -5.414 1.00 0.00 H new ATOM 1019 N ARG A 60 67.490 -1.314 -6.666 1.00 0.00 N ATOM 1020 CA ARG A 60 68.974 -1.177 -6.744 1.00 0.00 C ATOM 1021 C ARG A 60 69.412 -1.397 -8.193 1.00 0.00 C ATOM 1022 O ARG A 60 70.335 -0.770 -8.676 1.00 0.00 O ATOM 1023 CB ARG A 60 69.635 -2.228 -5.847 1.00 0.00 C ATOM 1024 CG ARG A 60 69.676 -1.717 -4.405 1.00 0.00 C ATOM 1025 CD ARG A 60 70.498 -2.677 -3.542 1.00 0.00 C ATOM 1026 NE ARG A 60 71.928 -2.254 -3.547 1.00 0.00 N ATOM 1027 CZ ARG A 60 72.845 -3.061 -4.006 1.00 0.00 C ATOM 1028 NH1 ARG A 60 73.238 -4.078 -3.288 1.00 0.00 N ATOM 1029 NH2 ARG A 60 73.369 -2.852 -5.183 1.00 0.00 N ATOM 0 H ARG A 60 67.153 -2.258 -6.480 1.00 0.00 H new ATOM 0 HA ARG A 60 69.272 -0.183 -6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.080 -3.165 -5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.645 -2.438 -6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 60 70.114 -0.719 -4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 60 68.664 -1.633 -4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 60 70.114 -2.685 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 60 70.408 -3.694 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 60 72.189 -1.334 -3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 60 72.828 -4.242 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 60 73.955 -4.709 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 60 73.062 -2.058 -5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 60 74.086 -3.483 -5.541 1.00 0.00 H new ATOM 1043 N GLN A 61 68.744 -2.283 -8.887 1.00 0.00 N ATOM 1044 CA GLN A 61 69.098 -2.554 -10.309 1.00 0.00 C ATOM 1045 C GLN A 61 67.945 -2.109 -11.206 1.00 0.00 C ATOM 1046 O GLN A 61 67.370 -2.892 -11.942 1.00 0.00 O ATOM 1047 CB GLN A 61 69.359 -4.051 -10.500 1.00 0.00 C ATOM 1048 CG GLN A 61 70.545 -4.481 -9.635 1.00 0.00 C ATOM 1049 CD GLN A 61 71.330 -5.578 -10.357 1.00 0.00 C ATOM 1050 OE1 GLN A 61 71.827 -5.369 -11.445 1.00 0.00 O ATOM 1051 NE2 GLN A 61 71.464 -6.746 -9.792 1.00 0.00 N ATOM 0 H GLN A 61 67.964 -2.832 -8.526 1.00 0.00 H new ATOM 0 HA GLN A 61 69.999 -2.001 -10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 61 68.472 -4.622 -10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 61 69.565 -4.263 -11.549 1.00 0.00 H new ATOM 0 HG2 GLN A 61 71.192 -3.627 -9.435 1.00 0.00 H new ATOM 0 HG3 GLN A 61 70.192 -4.846 -8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 61 71.046 -6.921 -8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 61 71.986 -7.484 -10.264 1.00 0.00 H new ATOM 1060 N LYS A 62 67.613 -0.849 -11.151 1.00 0.00 N ATOM 1061 CA LYS A 62 66.508 -0.324 -11.999 1.00 0.00 C ATOM 1062 C LYS A 62 67.023 -0.114 -13.429 1.00 0.00 C ATOM 1063 O LYS A 62 66.259 -0.104 -14.375 1.00 0.00 O ATOM 1064 CB LYS A 62 66.011 1.006 -11.420 1.00 0.00 C ATOM 1065 CG LYS A 62 67.157 2.028 -11.383 1.00 0.00 C ATOM 1066 CD LYS A 62 67.036 2.980 -12.576 1.00 0.00 C ATOM 1067 CE LYS A 62 68.408 3.581 -12.891 1.00 0.00 C ATOM 1068 NZ LYS A 62 68.305 4.448 -14.099 1.00 0.00 N ATOM 0 H LYS A 62 68.063 -0.157 -10.551 1.00 0.00 H new ATOM 0 HA LYS A 62 65.683 -1.037 -12.016 1.00 0.00 H new ATOM 0 HB2 LYS A 62 65.190 1.391 -12.025 1.00 0.00 H new ATOM 0 HB3 LYS A 62 65.620 0.850 -10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 62 67.125 2.592 -10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 62 68.117 1.513 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 62 66.654 2.444 -13.445 1.00 0.00 H new ATOM 0 HD3 LYS A 62 66.323 3.773 -12.351 1.00 0.00 H new ATOM 0 HE2 LYS A 62 68.766 4.163 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 62 69.135 2.787 -13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 69.237 4.857 -14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 67.982 3.880 -14.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 67.624 5.214 -13.920 1.00 0.00 H new ATOM 1082 N GLY A 63 68.317 0.049 -13.590 1.00 0.00 N ATOM 1083 CA GLY A 63 68.886 0.251 -14.951 1.00 0.00 C ATOM 1084 C GLY A 63 70.411 0.332 -14.863 1.00 0.00 C ATOM 1085 O GLY A 63 71.035 1.149 -15.514 1.00 0.00 O ATOM 0 H GLY A 63 69.000 0.050 -12.832 1.00 0.00 H new ATOM 0 HA2 GLY A 63 68.593 -0.571 -15.604 1.00 0.00 H new ATOM 0 HA3 GLY A 63 68.488 1.166 -15.390 1.00 0.00 H new ATOM 1089 N LYS A 64 71.011 -0.511 -14.064 1.00 0.00 N ATOM 1090 CA LYS A 64 72.498 -0.496 -13.926 1.00 0.00 C ATOM 1091 C LYS A 64 73.094 -1.640 -14.749 1.00 0.00 C ATOM 1092 O LYS A 64 74.080 -2.243 -14.367 1.00 0.00 O ATOM 1093 CB LYS A 64 72.875 -0.675 -12.454 1.00 0.00 C ATOM 1094 CG LYS A 64 73.017 0.697 -11.789 1.00 0.00 C ATOM 1095 CD LYS A 64 72.989 0.534 -10.267 1.00 0.00 C ATOM 1096 CE LYS A 64 74.299 -0.102 -9.796 1.00 0.00 C ATOM 1097 NZ LYS A 64 75.361 0.941 -9.724 1.00 0.00 N ATOM 0 H LYS A 64 70.533 -1.212 -13.498 1.00 0.00 H new ATOM 0 HA LYS A 64 72.889 0.455 -14.287 1.00 0.00 H new ATOM 0 HB2 LYS A 64 72.112 -1.261 -11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 64 73.811 -1.228 -12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 64 73.951 1.167 -12.098 1.00 0.00 H new ATOM 0 HG3 LYS A 64 72.208 1.354 -12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 64 72.851 1.504 -9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 64 72.144 -0.089 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 64 74.161 -0.563 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 64 74.598 -0.894 -10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 76.275 0.525 -9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 75.129 1.718 -10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 75.421 1.309 -8.753 1.00 0.00 H new ATOM 1111 N ARG A 65 72.498 -1.944 -15.876 1.00 0.00 N ATOM 1112 CA ARG A 65 73.021 -3.053 -16.731 1.00 0.00 C ATOM 1113 C ARG A 65 73.181 -2.567 -18.174 1.00 0.00 C ATOM 1114 O ARG A 65 74.149 -2.887 -18.838 1.00 0.00 O ATOM 1115 CB ARG A 65 72.041 -4.227 -16.702 1.00 0.00 C ATOM 1116 CG ARG A 65 72.222 -5.015 -15.403 1.00 0.00 C ATOM 1117 CD ARG A 65 72.006 -6.505 -15.676 1.00 0.00 C ATOM 1118 NE ARG A 65 72.289 -7.282 -14.438 1.00 0.00 N ATOM 1119 CZ ARG A 65 72.010 -8.555 -14.389 1.00 0.00 C ATOM 1120 NH1 ARG A 65 72.499 -9.365 -15.288 1.00 0.00 N ATOM 1121 NH2 ARG A 65 71.243 -9.018 -13.442 1.00 0.00 N ATOM 0 H ARG A 65 71.671 -1.471 -16.240 1.00 0.00 H new ATOM 0 HA ARG A 65 73.990 -3.372 -16.347 1.00 0.00 H new ATOM 0 HB2 ARG A 65 71.017 -3.861 -16.777 1.00 0.00 H new ATOM 0 HB3 ARG A 65 72.211 -4.877 -17.560 1.00 0.00 H new ATOM 0 HG2 ARG A 65 73.221 -4.849 -15.001 1.00 0.00 H new ATOM 0 HG3 ARG A 65 71.514 -4.666 -14.652 1.00 0.00 H new ATOM 0 HD2 ARG A 65 70.981 -6.681 -16.002 1.00 0.00 H new ATOM 0 HD3 ARG A 65 72.659 -6.836 -16.483 1.00 0.00 H new ATOM 0 HE ARG A 65 72.701 -6.819 -13.628 1.00 0.00 H new ATOM 0 HH11 ARG A 65 73.099 -9.002 -16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 65 72.281 -10.361 -15.250 1.00 0.00 H new ATOM 0 HH21 ARG A 65 70.861 -8.385 -12.740 1.00 0.00 H new ATOM 0 HH22 ARG A 65 71.025 -10.014 -13.404 1.00 0.00 H new ATOM 1135 N SER A 66 72.236 -1.805 -18.664 1.00 0.00 N ATOM 1136 CA SER A 66 72.327 -1.303 -20.066 1.00 0.00 C ATOM 1137 C SER A 66 73.276 -0.104 -20.120 1.00 0.00 C ATOM 1138 O SER A 66 72.879 1.024 -19.895 1.00 0.00 O ATOM 1139 CB SER A 66 70.938 -0.880 -20.546 1.00 0.00 C ATOM 1140 OG SER A 66 70.815 -1.164 -21.934 1.00 0.00 O ATOM 0 H SER A 66 71.405 -1.509 -18.152 1.00 0.00 H new ATOM 0 HA SER A 66 72.709 -2.094 -20.712 1.00 0.00 H new ATOM 0 HB2 SER A 66 70.169 -1.411 -19.985 1.00 0.00 H new ATOM 0 HB3 SER A 66 70.787 0.184 -20.366 1.00 0.00 H new ATOM 0 HG SER A 66 69.925 -0.896 -22.245 1.00 0.00 H new ATOM 1146 N SER A 67 74.527 -0.345 -20.417 1.00 0.00 N ATOM 1147 CA SER A 67 75.516 0.770 -20.489 1.00 0.00 C ATOM 1148 C SER A 67 75.697 1.198 -21.947 1.00 0.00 C ATOM 1149 O SER A 67 76.248 2.264 -22.166 1.00 0.00 O ATOM 1150 CB SER A 67 76.858 0.295 -19.928 1.00 0.00 C ATOM 1151 OG SER A 67 77.188 -0.962 -20.502 1.00 0.00 O ATOM 1152 OXT SER A 67 75.284 0.452 -22.819 1.00 0.00 O ATOM 0 H SER A 67 74.907 -1.271 -20.614 1.00 0.00 H new ATOM 0 HA SER A 67 75.154 1.616 -19.904 1.00 0.00 H new ATOM 0 HB2 SER A 67 77.637 1.025 -20.150 1.00 0.00 H new ATOM 0 HB3 SER A 67 76.802 0.209 -18.843 1.00 0.00 H new ATOM 0 HG SER A 67 78.048 -1.268 -20.146 1.00 0.00 H new TER 1158 SER A 67