USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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+ -138:sc= -0.207 (180deg=-1.18!) USER MOD Single : A 5 SER OG : rot 53:sc= 0.502 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -121:sc= -0.368 (180deg=-2.23!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -44:sc= 1.07 USER MOD Single : A 26 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.21) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0457 X(o=-0.046,f=-0.15) USER MOD Single : A 35 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.2!) USER MOD Single : A 39 LYS NZ :NH3+ 131:sc= -1.05 (180deg=-1.87!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0294 USER MOD Single : A 54 THR OG1 : rot 69:sc= 0.417 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -166:sc=-0.00776 (180deg=-0.536) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00713 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.189 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-1.6) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.839 5.441 3.816 1.00 0.00 N ATOM 2 CA MET A 1 -12.461 5.791 3.493 1.00 0.00 C ATOM 3 C MET A 1 -11.619 4.539 3.270 1.00 0.00 C ATOM 4 O MET A 1 -10.669 4.279 4.007 1.00 0.00 O ATOM 5 CB MET A 1 -11.851 6.638 4.612 1.00 0.00 C ATOM 6 CG MET A 1 -12.627 7.913 4.900 1.00 0.00 C ATOM 7 SD MET A 1 -11.967 9.342 4.020 1.00 0.00 S ATOM 8 CE MET A 1 -10.657 9.848 5.131 1.00 0.00 C ATOM 0 H1 MET A 1 -14.487 6.076 3.307 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.023 4.458 3.531 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.991 5.539 4.840 1.00 0.00 H new ATOM 0 HA MET A 1 -12.467 6.371 2.570 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.799 6.040 5.522 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.827 6.898 4.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.671 7.769 4.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.608 8.111 5.972 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.152 10.724 4.724 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.080 10.093 6.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.940 9.035 5.242 1.00 0.00 H new ATOM 16 N ALA A 2 -11.974 3.767 2.248 1.00 0.00 N ATOM 17 CA ALA A 2 -11.250 2.544 1.928 1.00 0.00 C ATOM 18 C ALA A 2 -11.760 1.927 0.630 1.00 0.00 C ATOM 19 O ALA A 2 -12.848 1.352 0.589 1.00 0.00 O ATOM 20 CB ALA A 2 -11.369 1.545 3.071 1.00 0.00 C ATOM 0 H ALA A 2 -12.759 3.967 1.628 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.199 2.799 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.823 0.636 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.950 1.979 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.419 1.304 3.236 1.00 0.00 H new ATOM 26 N ARG A 3 -10.967 2.053 -0.431 1.00 0.00 N ATOM 27 CA ARG A 3 -11.341 1.509 -1.731 1.00 0.00 C ATOM 28 C ARG A 3 -10.127 0.915 -2.440 1.00 0.00 C ATOM 29 O ARG A 3 -8.991 1.095 -2.004 1.00 0.00 O ATOM 30 CB ARG A 3 -11.970 2.599 -2.601 1.00 0.00 C ATOM 31 CG ARG A 3 -13.312 3.091 -2.084 1.00 0.00 C ATOM 32 CD ARG A 3 -13.515 4.569 -2.380 1.00 0.00 C ATOM 33 NE ARG A 3 -14.929 4.926 -2.438 1.00 0.00 N ATOM 34 CZ ARG A 3 -15.388 6.018 -3.041 1.00 0.00 C ATOM 35 NH1 ARG A 3 -14.547 6.855 -3.633 1.00 0.00 N ATOM 36 NH2 ARG A 3 -16.689 6.274 -3.051 1.00 0.00 N ATOM 0 H ARG A 3 -10.064 2.526 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.071 0.716 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.283 3.443 -2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.098 2.215 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.114 2.513 -2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.373 2.922 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.022 5.164 -1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.039 4.817 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.602 4.303 -1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.546 6.661 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.902 7.692 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.338 5.633 -2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.040 7.112 -3.514 1.00 0.00 H new ATOM 47 N GLY A 4 -10.377 0.206 -3.537 1.00 0.00 N ATOM 48 CA GLY A 4 -9.295 -0.403 -4.288 1.00 0.00 C ATOM 49 C GLY A 4 -9.730 -1.662 -5.011 1.00 0.00 C ATOM 50 O GLY A 4 -10.729 -2.283 -4.647 1.00 0.00 O ATOM 0 H GLY A 4 -11.309 0.043 -3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.911 0.315 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.475 -0.641 -3.610 1.00 0.00 H new ATOM 54 N SER A 5 -8.980 -2.041 -6.042 1.00 0.00 N ATOM 55 CA SER A 5 -9.297 -3.232 -6.822 1.00 0.00 C ATOM 56 C SER A 5 -8.574 -4.454 -6.263 1.00 0.00 C ATOM 57 O SER A 5 -7.577 -4.909 -6.823 1.00 0.00 O ATOM 58 CB SER A 5 -8.912 -3.024 -8.288 1.00 0.00 C ATOM 59 OG SER A 5 -7.542 -2.686 -8.413 1.00 0.00 O ATOM 0 H SER A 5 -8.149 -1.540 -6.356 1.00 0.00 H new ATOM 0 HA SER A 5 -10.371 -3.405 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.119 -3.932 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.526 -2.233 -8.720 1.00 0.00 H new ATOM 0 HG SER A 5 -6.997 -3.353 -7.946 1.00 0.00 H new ATOM 64 N VAL A 6 -9.087 -4.982 -5.156 1.00 0.00 N ATOM 65 CA VAL A 6 -8.493 -6.152 -4.522 1.00 0.00 C ATOM 66 C VAL A 6 -9.563 -7.159 -4.114 1.00 0.00 C ATOM 67 O VAL A 6 -10.679 -6.783 -3.753 1.00 0.00 O ATOM 68 CB VAL A 6 -7.672 -5.762 -3.278 1.00 0.00 C ATOM 69 CG1 VAL A 6 -8.498 -5.941 -2.015 1.00 0.00 C ATOM 70 CG2 VAL A 6 -6.390 -6.579 -3.209 1.00 0.00 C ATOM 0 H VAL A 6 -9.912 -4.618 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.830 -6.607 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.401 -4.709 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.901 -5.661 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.383 -5.307 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.803 -6.984 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.822 -6.291 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.637 -7.639 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.792 -6.393 -4.101 1.00 0.00 H new ATOM 80 N SER A 7 -9.216 -8.441 -4.173 1.00 0.00 N ATOM 81 CA SER A 7 -10.149 -9.503 -3.814 1.00 0.00 C ATOM 82 C SER A 7 -10.773 -9.237 -2.447 1.00 0.00 C ATOM 83 O SER A 7 -10.160 -8.610 -1.583 1.00 0.00 O ATOM 84 CB SER A 7 -9.435 -10.856 -3.807 1.00 0.00 C ATOM 85 OG SER A 7 -9.872 -11.658 -2.723 1.00 0.00 O ATOM 0 H SER A 7 -8.296 -8.769 -4.466 1.00 0.00 H new ATOM 0 HA SER A 7 -10.944 -9.524 -4.560 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.624 -11.375 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.358 -10.702 -3.739 1.00 0.00 H new ATOM 0 HG SER A 7 -9.402 -12.518 -2.742 1.00 0.00 H new ATOM 90 N ASP A 8 -11.997 -9.718 -2.260 1.00 0.00 N ATOM 91 CA ASP A 8 -12.706 -9.535 -0.998 1.00 0.00 C ATOM 92 C ASP A 8 -11.839 -9.967 0.180 1.00 0.00 C ATOM 93 O ASP A 8 -11.643 -9.208 1.128 1.00 0.00 O ATOM 94 CB ASP A 8 -14.013 -10.329 -1.004 1.00 0.00 C ATOM 95 CG ASP A 8 -15.218 -9.459 -1.306 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.040 -8.401 -1.947 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.337 -9.836 -0.904 1.00 0.00 O ATOM 0 H ASP A 8 -12.519 -10.237 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.934 -8.475 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.948 -11.125 -1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.148 -10.808 -0.034 1.00 0.00 H new ATOM 101 N GLU A 9 -11.322 -11.190 0.112 1.00 0.00 N ATOM 102 CA GLU A 9 -10.479 -11.723 1.175 1.00 0.00 C ATOM 103 C GLU A 9 -9.388 -10.724 1.555 1.00 0.00 C ATOM 104 O GLU A 9 -9.313 -10.279 2.699 1.00 0.00 O ATOM 105 CB GLU A 9 -9.844 -13.045 0.739 1.00 0.00 C ATOM 106 CG GLU A 9 -10.644 -14.268 1.152 1.00 0.00 C ATOM 107 CD GLU A 9 -10.270 -14.771 2.534 1.00 0.00 C ATOM 108 OE1 GLU A 9 -11.183 -14.941 3.368 1.00 0.00 O ATOM 109 OE2 GLU A 9 -9.066 -14.992 2.779 1.00 0.00 O ATOM 0 H GLU A 9 -11.472 -11.830 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.107 -11.901 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.731 -13.044 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.843 -13.115 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.707 -14.026 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.485 -15.064 0.424 1.00 0.00 H new ATOM 114 N GLU A 10 -8.546 -10.379 0.587 1.00 0.00 N ATOM 115 CA GLU A 10 -7.459 -9.435 0.820 1.00 0.00 C ATOM 116 C GLU A 10 -7.996 -8.105 1.342 1.00 0.00 C ATOM 117 O GLU A 10 -7.577 -7.623 2.393 1.00 0.00 O ATOM 118 CB GLU A 10 -6.665 -9.208 -0.468 1.00 0.00 C ATOM 119 CG GLU A 10 -5.368 -9.996 -0.529 1.00 0.00 C ATOM 120 CD GLU A 10 -5.555 -11.458 -0.169 1.00 0.00 C ATOM 121 OE1 GLU A 10 -6.441 -12.106 -0.767 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.819 -11.953 0.708 1.00 0.00 O ATOM 0 H GLU A 10 -8.595 -10.739 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.798 -9.861 1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.287 -9.481 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.440 -8.146 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.950 -9.924 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.643 -9.548 0.151 1.00 0.00 H new ATOM 127 N MET A 11 -8.927 -7.517 0.596 1.00 0.00 N ATOM 128 CA MET A 11 -9.523 -6.243 0.982 1.00 0.00 C ATOM 129 C MET A 11 -9.747 -6.183 2.490 1.00 0.00 C ATOM 130 O MET A 11 -9.450 -5.176 3.131 1.00 0.00 O ATOM 131 CB MET A 11 -10.849 -6.032 0.249 1.00 0.00 C ATOM 132 CG MET A 11 -11.301 -4.581 0.215 1.00 0.00 C ATOM 133 SD MET A 11 -11.623 -3.992 -1.458 1.00 0.00 S ATOM 134 CE MET A 11 -10.492 -2.606 -1.552 1.00 0.00 C ATOM 0 H MET A 11 -9.284 -7.902 -0.278 1.00 0.00 H new ATOM 0 HA MET A 11 -8.832 -5.448 0.703 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.752 -6.398 -0.773 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.620 -6.633 0.730 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.205 -4.472 0.814 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.536 -3.956 0.675 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.051 -1.693 -1.757 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.963 -2.503 -0.604 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.772 -2.778 -2.352 1.00 0.00 H new ATOM 142 N MET A 12 -10.275 -7.267 3.049 1.00 0.00 N ATOM 143 CA MET A 12 -10.539 -7.337 4.481 1.00 0.00 C ATOM 144 C MET A 12 -9.235 -7.364 5.273 1.00 0.00 C ATOM 145 O MET A 12 -9.081 -6.642 6.257 1.00 0.00 O ATOM 146 CB MET A 12 -11.374 -8.576 4.809 1.00 0.00 C ATOM 147 CG MET A 12 -11.615 -8.772 6.297 1.00 0.00 C ATOM 148 SD MET A 12 -12.549 -7.415 7.032 1.00 0.00 S ATOM 149 CE MET A 12 -13.559 -8.302 8.216 1.00 0.00 C ATOM 0 H MET A 12 -10.528 -8.109 2.532 1.00 0.00 H new ATOM 0 HA MET A 12 -11.099 -6.446 4.765 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.335 -8.501 4.301 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.872 -9.458 4.412 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.154 -9.706 6.454 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.657 -8.867 6.807 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.195 -7.597 8.752 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.182 -9.027 7.692 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.916 -8.823 8.925 1.00 0.00 H new ATOM 157 N GLU A 13 -8.300 -8.202 4.836 1.00 0.00 N ATOM 158 CA GLU A 13 -7.011 -8.323 5.506 1.00 0.00 C ATOM 159 C GLU A 13 -6.183 -7.053 5.328 1.00 0.00 C ATOM 160 O GLU A 13 -5.829 -6.387 6.302 1.00 0.00 O ATOM 161 CB GLU A 13 -6.239 -9.527 4.963 1.00 0.00 C ATOM 162 CG GLU A 13 -6.914 -10.859 5.243 1.00 0.00 C ATOM 163 CD GLU A 13 -7.489 -10.938 6.644 1.00 0.00 C ATOM 164 OE1 GLU A 13 -6.697 -10.983 7.608 1.00 0.00 O ATOM 165 OE2 GLU A 13 -8.730 -10.956 6.775 1.00 0.00 O ATOM 0 H GLU A 13 -8.411 -8.806 4.022 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.197 -8.469 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.114 -9.412 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.241 -9.536 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.712 -11.018 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.192 -11.664 5.104 1.00 0.00 H new ATOM 170 N LEU A 14 -5.879 -6.723 4.078 1.00 0.00 N ATOM 171 CA LEU A 14 -5.093 -5.533 3.770 1.00 0.00 C ATOM 172 C LEU A 14 -5.611 -4.324 4.544 1.00 0.00 C ATOM 173 O LEU A 14 -4.837 -3.594 5.163 1.00 0.00 O ATOM 174 CB LEU A 14 -5.131 -5.246 2.268 1.00 0.00 C ATOM 175 CG LEU A 14 -4.987 -6.461 1.350 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.734 -6.019 -0.083 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.866 -7.367 1.836 1.00 0.00 C ATOM 0 H LEU A 14 -6.165 -7.263 3.261 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.062 -5.720 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.074 -4.750 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.334 -4.541 2.033 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.919 -7.025 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.634 -6.896 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.570 -5.411 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.816 -5.432 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.778 -8.226 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.927 -6.814 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.089 -7.711 2.846 1.00 0.00 H new ATOM 188 N ARG A 15 -6.924 -4.120 4.503 1.00 0.00 N ATOM 189 CA ARG A 15 -7.544 -3.001 5.200 1.00 0.00 C ATOM 190 C ARG A 15 -7.296 -3.090 6.704 1.00 0.00 C ATOM 191 O ARG A 15 -6.896 -2.114 7.335 1.00 0.00 O ATOM 192 CB ARG A 15 -9.048 -2.970 4.922 1.00 0.00 C ATOM 193 CG ARG A 15 -9.814 -2.009 5.818 1.00 0.00 C ATOM 194 CD ARG A 15 -10.922 -2.721 6.578 1.00 0.00 C ATOM 195 NE ARG A 15 -12.233 -2.135 6.311 1.00 0.00 N ATOM 196 CZ ARG A 15 -12.650 -0.993 6.845 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.864 -0.318 7.672 1.00 0.00 N ATOM 198 NH2 ARG A 15 -13.857 -0.524 6.553 1.00 0.00 N ATOM 0 H ARG A 15 -7.578 -4.715 3.995 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.093 -2.081 4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.211 -2.691 3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.453 -3.974 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.128 -1.543 6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.241 -1.209 5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.933 -3.775 6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.715 -2.675 7.647 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.863 -2.630 5.680 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.936 -0.676 7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.187 0.559 8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.465 -1.041 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.176 0.353 6.964 1.00 0.00 H new ATOM 209 N GLU A 16 -7.538 -4.269 7.268 1.00 0.00 N ATOM 210 CA GLU A 16 -7.342 -4.486 8.697 1.00 0.00 C ATOM 211 C GLU A 16 -5.972 -3.982 9.140 1.00 0.00 C ATOM 212 O GLU A 16 -5.869 -3.114 10.008 1.00 0.00 O ATOM 213 CB GLU A 16 -7.484 -5.972 9.034 1.00 0.00 C ATOM 214 CG GLU A 16 -8.874 -6.357 9.515 1.00 0.00 C ATOM 215 CD GLU A 16 -9.040 -7.855 9.679 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.051 -8.587 9.464 1.00 0.00 O ATOM 217 OE2 GLU A 16 -10.158 -8.294 10.021 1.00 0.00 O ATOM 0 H GLU A 16 -7.870 -5.088 6.758 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.108 -3.925 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.238 -6.561 8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.757 -6.233 9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.074 -5.867 10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.615 -5.989 8.806 1.00 0.00 H new ATOM 222 N ALA A 17 -4.923 -4.532 8.539 1.00 0.00 N ATOM 223 CA ALA A 17 -3.559 -4.137 8.871 1.00 0.00 C ATOM 224 C ALA A 17 -3.328 -2.659 8.574 1.00 0.00 C ATOM 225 O ALA A 17 -2.903 -1.900 9.444 1.00 0.00 O ATOM 226 CB ALA A 17 -2.561 -4.993 8.106 1.00 0.00 C ATOM 0 H ALA A 17 -4.991 -5.252 7.820 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.411 -4.293 9.940 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.547 -4.687 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.702 -6.041 8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.718 -4.865 7.035 1.00 0.00 H new ATOM 232 N PHE A 18 -3.608 -2.257 7.339 1.00 0.00 N ATOM 233 CA PHE A 18 -3.429 -0.870 6.927 1.00 0.00 C ATOM 234 C PHE A 18 -3.896 0.086 8.020 1.00 0.00 C ATOM 235 O PHE A 18 -3.133 0.934 8.484 1.00 0.00 O ATOM 236 CB PHE A 18 -4.197 -0.597 5.631 1.00 0.00 C ATOM 237 CG PHE A 18 -4.147 0.839 5.195 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.240 1.253 4.233 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.005 1.776 5.748 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.190 2.574 3.829 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.959 3.098 5.348 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.050 3.497 4.388 1.00 0.00 C ATOM 0 H PHE A 18 -3.960 -2.872 6.606 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.366 -0.703 6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.789 -1.223 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.238 -0.891 5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.564 0.535 3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.717 1.470 6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.479 2.883 3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.634 3.819 5.786 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.012 4.530 4.075 1.00 0.00 H new ATOM 251 N ALA A 19 -5.154 -0.055 8.424 1.00 0.00 N ATOM 252 CA ALA A 19 -5.722 0.794 9.462 1.00 0.00 C ATOM 253 C ALA A 19 -4.825 0.829 10.696 1.00 0.00 C ATOM 254 O ALA A 19 -4.559 1.894 11.253 1.00 0.00 O ATOM 255 CB ALA A 19 -7.116 0.313 9.834 1.00 0.00 C ATOM 0 H ALA A 19 -5.799 -0.750 8.048 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.793 1.808 9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.528 0.957 10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.760 0.348 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.061 -0.711 10.203 1.00 0.00 H new ATOM 261 N LYS A 20 -4.363 -0.343 11.118 1.00 0.00 N ATOM 262 CA LYS A 20 -3.496 -0.448 12.285 1.00 0.00 C ATOM 263 C LYS A 20 -2.256 0.425 12.122 1.00 0.00 C ATOM 264 O LYS A 20 -1.683 0.896 13.105 1.00 0.00 O ATOM 265 CB LYS A 20 -3.080 -1.904 12.507 1.00 0.00 C ATOM 266 CG LYS A 20 -4.244 -2.881 12.473 1.00 0.00 C ATOM 267 CD LYS A 20 -4.252 -3.783 13.695 1.00 0.00 C ATOM 268 CE LYS A 20 -2.902 -4.455 13.900 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.966 -5.521 14.937 1.00 0.00 N ATOM 0 H LYS A 20 -4.575 -1.234 10.669 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.054 -0.098 13.154 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.356 -2.187 11.743 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.575 -1.986 13.470 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.182 -2.329 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.183 -3.490 11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.507 -3.198 14.579 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.025 -4.543 13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.563 -4.885 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.165 -3.707 14.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.027 -5.955 15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.265 -5.107 15.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.651 -6.248 14.646 1.00 0.00 H new ATOM 279 N VAL A 21 -1.848 0.639 10.875 1.00 0.00 N ATOM 280 CA VAL A 21 -0.678 1.459 10.584 1.00 0.00 C ATOM 281 C VAL A 21 -1.082 2.801 9.985 1.00 0.00 C ATOM 282 O VAL A 21 -0.231 3.597 9.588 1.00 0.00 O ATOM 283 CB VAL A 21 0.282 0.744 9.615 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.605 0.438 10.301 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.355 -0.529 9.078 1.00 0.00 C ATOM 0 H VAL A 21 -2.310 0.256 10.050 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.166 1.627 11.532 1.00 0.00 H new ATOM 0 HB VAL A 21 0.482 1.408 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.270 -0.067 9.600 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.066 1.368 10.633 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.428 -0.207 11.162 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.337 -1.022 8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.585 -1.198 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.274 -0.280 8.547 1.00 0.00 H new ATOM 295 N ASP A 22 -2.386 3.046 9.921 1.00 0.00 N ATOM 296 CA ASP A 22 -2.905 4.292 9.370 1.00 0.00 C ATOM 297 C ASP A 22 -3.402 5.211 10.482 1.00 0.00 C ATOM 298 O ASP A 22 -4.517 5.731 10.420 1.00 0.00 O ATOM 299 CB ASP A 22 -4.037 4.006 8.383 1.00 0.00 C ATOM 300 CG ASP A 22 -4.516 5.258 7.673 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.667 6.105 7.327 1.00 0.00 O ATOM 302 OD2 ASP A 22 -5.739 5.390 7.464 1.00 0.00 O ATOM 0 H ASP A 22 -3.104 2.397 10.244 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.094 4.794 8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.696 3.281 7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.873 3.551 8.915 1.00 0.00 H new ATOM 306 N THR A 23 -2.568 5.408 11.499 1.00 0.00 N ATOM 307 CA THR A 23 -2.923 6.262 12.625 1.00 0.00 C ATOM 308 C THR A 23 -2.688 7.732 12.296 1.00 0.00 C ATOM 309 O THR A 23 -2.810 8.599 13.160 1.00 0.00 O ATOM 310 CB THR A 23 -2.118 5.894 13.884 1.00 0.00 C ATOM 311 OG1 THR A 23 -2.503 6.737 14.975 1.00 0.00 O ATOM 312 CG2 THR A 23 -0.624 6.034 13.632 1.00 0.00 C ATOM 0 H THR A 23 -1.641 4.987 11.565 1.00 0.00 H new ATOM 0 HA THR A 23 -3.983 6.102 12.821 1.00 0.00 H new ATOM 0 HB THR A 23 -2.332 4.855 14.134 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.579 7.663 14.662 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.076 5.769 14.536 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.328 5.370 12.820 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.396 7.064 13.359 1.00 0.00 H new ATOM 320 N ASP A 24 -2.350 8.005 11.040 1.00 0.00 N ATOM 321 CA ASP A 24 -2.099 9.371 10.596 1.00 0.00 C ATOM 322 C ASP A 24 -3.344 10.236 10.766 1.00 0.00 C ATOM 323 O ASP A 24 -3.267 11.463 10.748 1.00 0.00 O ATOM 324 CB ASP A 24 -1.652 9.381 9.133 1.00 0.00 C ATOM 325 CG ASP A 24 -0.376 8.593 8.912 1.00 0.00 C ATOM 326 OD1 ASP A 24 0.129 8.591 7.770 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.117 7.981 9.881 1.00 0.00 O ATOM 0 H ASP A 24 -2.244 7.299 10.312 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.303 9.786 11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.445 8.965 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.500 10.411 8.810 1.00 0.00 H new ATOM 331 N GLY A 25 -4.492 9.585 10.932 1.00 0.00 N ATOM 332 CA GLY A 25 -5.738 10.310 11.102 1.00 0.00 C ATOM 333 C GLY A 25 -6.154 11.050 9.846 1.00 0.00 C ATOM 334 O GLY A 25 -7.062 11.879 9.878 1.00 0.00 O ATOM 0 H GLY A 25 -4.581 8.569 10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.525 9.612 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.632 11.021 11.921 1.00 0.00 H new ATOM 338 N ASN A 26 -5.488 10.750 8.736 1.00 0.00 N ATOM 339 CA ASN A 26 -5.792 11.395 7.463 1.00 0.00 C ATOM 340 C ASN A 26 -6.370 10.391 6.470 1.00 0.00 C ATOM 341 O ASN A 26 -6.984 10.771 5.473 1.00 0.00 O ATOM 342 CB ASN A 26 -4.533 12.039 6.880 1.00 0.00 C ATOM 343 CG ASN A 26 -3.785 12.874 7.901 1.00 0.00 C ATOM 344 OD1 ASN A 26 -4.320 13.843 8.441 1.00 0.00 O ATOM 345 ND2 ASN A 26 -2.539 12.501 8.172 1.00 0.00 N ATOM 0 H ASN A 26 -4.734 10.064 8.692 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.537 12.170 7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.873 11.260 6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.808 12.667 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.986 13.024 8.851 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.135 11.691 7.701 1.00 0.00 H new ATOM 351 N GLY A 27 -6.170 9.106 6.750 1.00 0.00 N ATOM 352 CA GLY A 27 -6.678 8.068 5.872 1.00 0.00 C ATOM 353 C GLY A 27 -5.573 7.357 5.116 1.00 0.00 C ATOM 354 O GLY A 27 -5.768 6.250 4.614 1.00 0.00 O ATOM 0 H GLY A 27 -5.666 8.766 7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.238 7.341 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.376 8.508 5.160 1.00 0.00 H new ATOM 358 N TYR A 28 -4.410 7.994 5.034 1.00 0.00 N ATOM 359 CA TYR A 28 -3.271 7.416 4.329 1.00 0.00 C ATOM 360 C TYR A 28 -2.101 7.188 5.282 1.00 0.00 C ATOM 361 O TYR A 28 -1.887 7.961 6.216 1.00 0.00 O ATOM 362 CB TYR A 28 -2.837 8.330 3.182 1.00 0.00 C ATOM 363 CG TYR A 28 -2.911 9.801 3.519 1.00 0.00 C ATOM 364 CD1 TYR A 28 -3.870 10.621 2.935 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.022 10.375 4.419 1.00 0.00 C ATOM 366 CE1 TYR A 28 -3.942 11.966 3.239 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.086 11.719 4.729 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.047 12.511 4.137 1.00 0.00 C ATOM 369 OH TYR A 28 -3.114 13.850 4.443 1.00 0.00 O ATOM 0 H TYR A 28 -4.231 8.910 5.446 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.579 6.453 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.814 8.082 2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.466 8.133 2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.571 10.198 2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.267 9.759 4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.694 12.588 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.387 12.148 5.432 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.414 14.073 5.092 1.00 0.00 H new ATOM 378 N ILE A 29 -1.347 6.121 5.038 1.00 0.00 N ATOM 379 CA ILE A 29 -0.198 5.791 5.871 1.00 0.00 C ATOM 380 C ILE A 29 1.089 6.359 5.283 1.00 0.00 C ATOM 381 O ILE A 29 1.080 6.959 4.208 1.00 0.00 O ATOM 382 CB ILE A 29 -0.044 4.269 6.040 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.282 3.614 4.696 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.311 3.670 6.632 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.356 2.105 4.760 1.00 0.00 C ATOM 0 H ILE A 29 -1.512 5.470 4.270 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.377 6.240 6.848 1.00 0.00 H new ATOM 0 HB ILE A 29 0.781 4.077 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.476 3.902 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.235 4.001 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.186 2.593 6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.504 4.117 7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.152 3.870 5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.591 1.710 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.134 1.808 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.603 1.707 5.091 1.00 0.00 H new ATOM 396 N SER A 30 2.195 6.164 5.994 1.00 0.00 N ATOM 397 CA SER A 30 3.491 6.658 5.543 1.00 0.00 C ATOM 398 C SER A 30 4.292 5.547 4.873 1.00 0.00 C ATOM 399 O SER A 30 3.992 4.364 5.035 1.00 0.00 O ATOM 400 CB SER A 30 4.280 7.232 6.722 1.00 0.00 C ATOM 401 OG SER A 30 3.829 8.534 7.051 1.00 0.00 O ATOM 0 H SER A 30 2.220 5.667 6.885 1.00 0.00 H new ATOM 0 HA SER A 30 3.317 7.448 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.175 6.578 7.587 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.341 7.263 6.473 1.00 0.00 H new ATOM 0 HG SER A 30 4.347 8.878 7.808 1.00 0.00 H new ATOM 406 N PHE A 31 5.315 5.936 4.120 1.00 0.00 N ATOM 407 CA PHE A 31 6.162 4.973 3.423 1.00 0.00 C ATOM 408 C PHE A 31 6.552 3.824 4.347 1.00 0.00 C ATOM 409 O PHE A 31 6.319 2.657 4.035 1.00 0.00 O ATOM 410 CB PHE A 31 7.419 5.663 2.887 1.00 0.00 C ATOM 411 CG PHE A 31 7.413 5.845 1.396 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.574 6.773 0.802 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.248 5.088 0.589 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.566 6.944 -0.570 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.245 5.254 -0.783 1.00 0.00 C ATOM 416 CZ PHE A 31 7.402 6.182 -1.363 1.00 0.00 C ATOM 0 H PHE A 31 5.578 6.911 3.976 1.00 0.00 H new ATOM 0 HA PHE A 31 5.595 4.565 2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.520 6.638 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.294 5.078 3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.918 7.370 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.908 4.360 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.908 7.672 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.901 4.659 -1.401 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.397 6.312 -2.435 1.00 0.00 H new ATOM 425 N ASN A 32 7.149 4.163 5.485 1.00 0.00 N ATOM 426 CA ASN A 32 7.574 3.160 6.454 1.00 0.00 C ATOM 427 C ASN A 32 6.404 2.271 6.865 1.00 0.00 C ATOM 428 O ASN A 32 6.526 1.047 6.903 1.00 0.00 O ATOM 429 CB ASN A 32 8.173 3.835 7.689 1.00 0.00 C ATOM 430 CG ASN A 32 9.283 4.806 7.335 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.119 4.526 6.476 1.00 0.00 O ATOM 432 ND2 ASN A 32 9.296 5.957 7.998 1.00 0.00 N ATOM 0 H ASN A 32 7.349 5.125 5.759 1.00 0.00 H new ATOM 0 HA ASN A 32 8.334 2.536 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.387 4.366 8.227 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.562 3.073 8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.019 6.650 7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.583 6.148 8.702 1.00 0.00 H new ATOM 438 N GLU A 33 5.271 2.896 7.169 1.00 0.00 N ATOM 439 CA GLU A 33 4.080 2.161 7.577 1.00 0.00 C ATOM 440 C GLU A 33 3.644 1.184 6.490 1.00 0.00 C ATOM 441 O GLU A 33 3.228 0.061 6.778 1.00 0.00 O ATOM 442 CB GLU A 33 2.939 3.131 7.894 1.00 0.00 C ATOM 443 CG GLU A 33 3.269 4.120 9.000 1.00 0.00 C ATOM 444 CD GLU A 33 4.414 3.652 9.877 1.00 0.00 C ATOM 445 OE1 GLU A 33 5.535 4.181 9.720 1.00 0.00 O ATOM 446 OE2 GLU A 33 4.189 2.758 10.719 1.00 0.00 O ATOM 0 H GLU A 33 5.153 3.909 7.140 1.00 0.00 H new ATOM 0 HA GLU A 33 4.325 1.593 8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.681 3.683 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.057 2.559 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.525 5.083 8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.384 4.278 9.617 1.00 0.00 H new ATOM 451 N LEU A 34 3.741 1.620 5.238 1.00 0.00 N ATOM 452 CA LEU A 34 3.357 0.785 4.105 1.00 0.00 C ATOM 453 C LEU A 34 4.128 -0.532 4.114 1.00 0.00 C ATOM 454 O LEU A 34 3.539 -1.606 4.226 1.00 0.00 O ATOM 455 CB LEU A 34 3.607 1.527 2.791 1.00 0.00 C ATOM 456 CG LEU A 34 3.852 0.651 1.562 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.664 -0.266 1.314 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.126 1.514 0.339 1.00 0.00 C ATOM 0 H LEU A 34 4.082 2.547 4.982 1.00 0.00 H new ATOM 0 HA LEU A 34 2.293 0.563 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.749 2.168 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.469 2.181 2.924 1.00 0.00 H new ATOM 0 HG LEU A 34 4.729 0.032 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.857 -0.882 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.513 -0.909 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.770 0.334 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.298 0.874 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.268 2.159 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.009 2.128 0.517 1.00 0.00 H new ATOM 469 N ASN A 35 5.448 -0.440 3.995 1.00 0.00 N ATOM 470 CA ASN A 35 6.300 -1.623 3.990 1.00 0.00 C ATOM 471 C ASN A 35 5.953 -2.548 5.153 1.00 0.00 C ATOM 472 O ASN A 35 5.788 -3.754 4.972 1.00 0.00 O ATOM 473 CB ASN A 35 7.773 -1.217 4.069 1.00 0.00 C ATOM 474 CG ASN A 35 8.705 -2.338 3.647 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.608 -2.855 2.533 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.613 -2.718 4.537 1.00 0.00 N ATOM 0 H ASN A 35 5.951 0.442 3.901 1.00 0.00 H new ATOM 0 HA ASN A 35 6.128 -2.160 3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.942 -0.348 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.010 -0.916 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.267 -3.467 4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.657 -2.261 5.448 1.00 0.00 H new ATOM 482 N ASP A 36 5.844 -1.974 6.345 1.00 0.00 N ATOM 483 CA ASP A 36 5.514 -2.745 7.538 1.00 0.00 C ATOM 484 C ASP A 36 4.135 -3.383 7.409 1.00 0.00 C ATOM 485 O ASP A 36 3.900 -4.485 7.907 1.00 0.00 O ATOM 486 CB ASP A 36 5.563 -1.852 8.779 1.00 0.00 C ATOM 487 CG ASP A 36 6.951 -1.304 9.044 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.054 -0.185 9.591 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.936 -1.993 8.705 1.00 0.00 O ATOM 0 H ASP A 36 5.979 -0.977 6.512 1.00 0.00 H new ATOM 0 HA ASP A 36 6.253 -3.539 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.866 -1.023 8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.229 -2.422 9.646 1.00 0.00 H new ATOM 493 N LEU A 37 3.226 -2.683 6.741 1.00 0.00 N ATOM 494 CA LEU A 37 1.868 -3.180 6.546 1.00 0.00 C ATOM 495 C LEU A 37 1.859 -4.392 5.621 1.00 0.00 C ATOM 496 O LEU A 37 1.056 -5.310 5.790 1.00 0.00 O ATOM 497 CB LEU A 37 0.978 -2.078 5.970 1.00 0.00 C ATOM 498 CG LEU A 37 -0.151 -2.541 5.048 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.065 -3.518 5.772 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.944 -1.348 4.535 1.00 0.00 C ATOM 0 H LEU A 37 3.404 -1.769 6.325 1.00 0.00 H new ATOM 0 HA LEU A 37 1.476 -3.484 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.539 -1.523 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.608 -1.381 5.418 1.00 0.00 H new ATOM 0 HG LEU A 37 0.291 -3.053 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.862 -3.836 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.489 -4.387 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.499 -3.031 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.743 -1.696 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.375 -0.808 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.283 -0.684 3.978 1.00 0.00 H new ATOM 511 N PHE A 38 2.759 -4.391 4.644 1.00 0.00 N ATOM 512 CA PHE A 38 2.857 -5.491 3.692 1.00 0.00 C ATOM 513 C PHE A 38 3.296 -6.777 4.388 1.00 0.00 C ATOM 514 O PHE A 38 2.752 -7.851 4.136 1.00 0.00 O ATOM 515 CB PHE A 38 3.841 -5.142 2.573 1.00 0.00 C ATOM 516 CG PHE A 38 3.183 -4.927 1.241 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.664 -3.687 0.902 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.083 -5.963 0.328 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.057 -3.486 -0.323 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.478 -5.767 -0.900 1.00 0.00 C ATOM 521 CZ PHE A 38 1.963 -4.527 -1.224 1.00 0.00 C ATOM 0 H PHE A 38 3.432 -3.640 4.490 1.00 0.00 H new ATOM 0 HA PHE A 38 1.869 -5.651 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.387 -4.240 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.574 -5.943 2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.735 -2.869 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.482 -6.935 0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.657 -2.515 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.408 -6.582 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.487 -4.372 -2.181 1.00 0.00 H new ATOM 530 N LYS A 39 4.285 -6.656 5.267 1.00 0.00 N ATOM 531 CA LYS A 39 4.800 -7.806 6.002 1.00 0.00 C ATOM 532 C LYS A 39 3.894 -8.147 7.182 1.00 0.00 C ATOM 533 O LYS A 39 3.778 -9.308 7.571 1.00 0.00 O ATOM 534 CB LYS A 39 6.219 -7.526 6.500 1.00 0.00 C ATOM 535 CG LYS A 39 7.074 -6.762 5.503 1.00 0.00 C ATOM 536 CD LYS A 39 8.542 -6.785 5.894 1.00 0.00 C ATOM 537 CE LYS A 39 8.760 -6.182 7.273 1.00 0.00 C ATOM 538 NZ LYS A 39 8.397 -4.739 7.313 1.00 0.00 N ATOM 0 H LYS A 39 4.746 -5.773 5.488 1.00 0.00 H new ATOM 0 HA LYS A 39 4.822 -8.659 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.164 -6.958 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.706 -8.473 6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.954 -7.197 4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.729 -5.730 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.907 -7.812 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.125 -6.232 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.164 -6.726 8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.805 -6.301 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.782 -4.558 8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.261 -4.166 7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.894 -4.483 6.439 1.00 0.00 H new ATOM 548 N ALA A 40 3.255 -7.128 7.745 1.00 0.00 N ATOM 549 CA ALA A 40 2.359 -7.320 8.878 1.00 0.00 C ATOM 550 C ALA A 40 1.046 -7.961 8.436 1.00 0.00 C ATOM 551 O ALA A 40 0.374 -8.626 9.223 1.00 0.00 O ATOM 552 CB ALA A 40 2.092 -5.993 9.572 1.00 0.00 C ATOM 0 H ALA A 40 3.341 -6.160 7.435 1.00 0.00 H new ATOM 0 HA ALA A 40 2.845 -7.994 9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.421 -6.152 10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.032 -5.574 9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.631 -5.300 8.868 1.00 0.00 H new ATOM 558 N ALA A 41 0.689 -7.754 7.173 1.00 0.00 N ATOM 559 CA ALA A 41 -0.542 -8.313 6.627 1.00 0.00 C ATOM 560 C ALA A 41 -0.299 -9.692 6.024 1.00 0.00 C ATOM 561 O ALA A 41 -1.143 -10.222 5.302 1.00 0.00 O ATOM 562 CB ALA A 41 -1.130 -7.375 5.583 1.00 0.00 C ATOM 0 H ALA A 41 1.234 -7.204 6.509 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.255 -8.423 7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.049 -7.805 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.350 -6.411 6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.413 -7.236 4.774 1.00 0.00 H new ATOM 568 N CYS A 42 0.860 -10.268 6.326 1.00 0.00 N ATOM 569 CA CYS A 42 1.215 -11.586 5.813 1.00 0.00 C ATOM 570 C CYS A 42 1.061 -11.639 4.296 1.00 0.00 C ATOM 571 O CYS A 42 0.607 -12.641 3.741 1.00 0.00 O ATOM 572 CB CYS A 42 0.343 -12.662 6.462 1.00 0.00 C ATOM 573 SG CYS A 42 1.079 -14.313 6.456 1.00 0.00 S ATOM 0 H CYS A 42 1.569 -9.843 6.923 1.00 0.00 H new ATOM 0 HA CYS A 42 2.259 -11.775 6.062 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.135 -12.373 7.492 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.614 -12.701 5.942 1.00 0.00 H new ATOM 0 HG CYS A 42 0.267 -15.152 7.028 1.00 0.00 H new ATOM 578 N LEU A 43 1.439 -10.553 3.630 1.00 0.00 N ATOM 579 CA LEU A 43 1.343 -10.475 2.177 1.00 0.00 C ATOM 580 C LEU A 43 2.402 -11.347 1.512 1.00 0.00 C ATOM 581 O LEU A 43 3.420 -11.695 2.110 1.00 0.00 O ATOM 582 CB LEU A 43 1.496 -9.025 1.714 1.00 0.00 C ATOM 583 CG LEU A 43 0.439 -8.043 2.222 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.278 -6.883 1.251 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.891 -8.752 2.434 1.00 0.00 C ATOM 0 H LEU A 43 1.815 -9.715 4.073 1.00 0.00 H new ATOM 0 HA LEU A 43 0.360 -10.843 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.477 -8.666 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.484 -9.009 0.624 1.00 0.00 H new ATOM 0 HG LEU A 43 0.772 -7.645 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.478 -6.195 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.228 -6.359 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.032 -7.264 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.631 -8.038 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.230 -9.179 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.766 -9.548 3.168 1.00 0.00 H new ATOM 596 N PRO A 44 2.159 -11.708 0.244 1.00 0.00 N ATOM 597 CA PRO A 44 3.083 -12.542 -0.532 1.00 0.00 C ATOM 598 C PRO A 44 4.372 -11.809 -0.884 1.00 0.00 C ATOM 599 O PRO A 44 5.471 -12.309 -0.638 1.00 0.00 O ATOM 600 CB PRO A 44 2.289 -12.867 -1.799 1.00 0.00 C ATOM 601 CG PRO A 44 1.317 -11.745 -1.935 1.00 0.00 C ATOM 602 CD PRO A 44 0.967 -11.331 -0.533 1.00 0.00 C ATOM 0 HA PRO A 44 3.402 -13.423 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.942 -12.933 -2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.778 -13.825 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.754 -10.915 -2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.429 -12.062 -2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.767 -10.261 -0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.075 -11.844 -0.174 1.00 0.00 H new ATOM 607 N LEU A 45 4.232 -10.620 -1.458 1.00 0.00 N ATOM 608 CA LEU A 45 5.386 -9.815 -1.844 1.00 0.00 C ATOM 609 C LEU A 45 6.356 -9.662 -0.677 1.00 0.00 C ATOM 610 O LEU A 45 5.959 -9.488 0.475 1.00 0.00 O ATOM 611 CB LEU A 45 4.933 -8.438 -2.330 1.00 0.00 C ATOM 612 CG LEU A 45 4.073 -8.421 -3.594 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.457 -7.251 -4.486 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.208 -9.735 -4.348 1.00 0.00 C ATOM 0 H LEU A 45 3.330 -10.191 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 45 5.901 -10.328 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.373 -7.958 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.819 -7.829 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 45 3.031 -8.299 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.834 -7.256 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.308 -6.317 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.505 -7.341 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.589 -9.705 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.250 -9.887 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.882 -10.556 -3.709 1.00 0.00 H new ATOM 625 N PRO A 46 7.662 -9.724 -0.980 1.00 0.00 N ATOM 626 CA PRO A 46 8.716 -9.591 0.029 1.00 0.00 C ATOM 627 C PRO A 46 8.813 -8.175 0.584 1.00 0.00 C ATOM 628 O PRO A 46 7.925 -7.350 0.368 1.00 0.00 O ATOM 629 CB PRO A 46 9.990 -9.954 -0.739 1.00 0.00 C ATOM 630 CG PRO A 46 9.675 -9.645 -2.161 1.00 0.00 C ATOM 631 CD PRO A 46 8.208 -9.929 -2.332 1.00 0.00 C ATOM 0 HA PRO A 46 8.531 -10.223 0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.843 -9.374 -0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.244 -11.006 -0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.901 -8.604 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.272 -10.259 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.750 -9.256 -3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.034 -10.945 -2.686 1.00 0.00 H new ATOM 636 N GLY A 47 9.899 -7.897 1.300 1.00 0.00 N ATOM 637 CA GLY A 47 10.091 -6.578 1.874 1.00 0.00 C ATOM 638 C GLY A 47 10.666 -5.590 0.877 1.00 0.00 C ATOM 639 O GLY A 47 10.262 -4.428 0.841 1.00 0.00 O ATOM 0 H GLY A 47 10.649 -8.562 1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.136 -6.203 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.758 -6.652 2.733 1.00 0.00 H new ATOM 643 N TYR A 48 11.613 -6.052 0.068 1.00 0.00 N ATOM 644 CA TYR A 48 12.248 -5.201 -0.930 1.00 0.00 C ATOM 645 C TYR A 48 11.268 -4.846 -2.045 1.00 0.00 C ATOM 646 O TYR A 48 11.219 -3.704 -2.504 1.00 0.00 O ATOM 647 CB TYR A 48 13.477 -5.896 -1.517 1.00 0.00 C ATOM 648 CG TYR A 48 13.155 -7.184 -2.241 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.895 -7.191 -3.606 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.110 -8.394 -1.560 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.600 -8.366 -4.271 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.818 -9.574 -2.217 1.00 0.00 C ATOM 653 CZ TYR A 48 12.564 -9.555 -3.573 1.00 0.00 C ATOM 654 OH TYR A 48 12.271 -10.727 -4.230 1.00 0.00 O ATOM 0 H TYR A 48 11.958 -7.012 0.084 1.00 0.00 H new ATOM 0 HA TYR A 48 12.561 -4.280 -0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.974 -5.215 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.183 -6.107 -0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.924 -6.262 -4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.307 -8.413 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.399 -8.353 -5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.789 -10.506 -1.672 1.00 0.00 H new ATOM 0 HH TYR A 48 12.288 -11.472 -3.593 1.00 0.00 H new ATOM 663 N ARG A 49 10.490 -5.833 -2.476 1.00 0.00 N ATOM 664 CA ARG A 49 9.511 -5.626 -3.538 1.00 0.00 C ATOM 665 C ARG A 49 8.626 -4.421 -3.234 1.00 0.00 C ATOM 666 O ARG A 49 8.383 -3.582 -4.100 1.00 0.00 O ATOM 667 CB ARG A 49 8.648 -6.877 -3.715 1.00 0.00 C ATOM 668 CG ARG A 49 9.184 -7.844 -4.757 1.00 0.00 C ATOM 669 CD ARG A 49 8.403 -7.748 -6.059 1.00 0.00 C ATOM 670 NE ARG A 49 7.957 -9.058 -6.527 1.00 0.00 N ATOM 671 CZ ARG A 49 7.289 -9.245 -7.660 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.993 -8.212 -8.437 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.917 -10.467 -8.019 1.00 0.00 N ATOM 0 H ARG A 49 10.518 -6.784 -2.107 1.00 0.00 H new ATOM 0 HA ARG A 49 10.051 -5.432 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.571 -7.393 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.639 -6.575 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.236 -7.631 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.129 -8.862 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.538 -7.100 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.027 -7.283 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 49 8.170 -9.874 -5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.278 -7.271 -8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.480 -8.358 -9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.144 -11.264 -7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.404 -10.609 -8.889 1.00 0.00 H new ATOM 684 N VAL A 50 8.145 -4.344 -1.997 1.00 0.00 N ATOM 685 CA VAL A 50 7.286 -3.243 -1.578 1.00 0.00 C ATOM 686 C VAL A 50 8.070 -1.938 -1.492 1.00 0.00 C ATOM 687 O VAL A 50 7.725 -0.951 -2.143 1.00 0.00 O ATOM 688 CB VAL A 50 6.633 -3.529 -0.213 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.598 -2.463 0.117 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.006 -4.914 -0.202 1.00 0.00 C ATOM 0 H VAL A 50 8.336 -5.031 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 50 6.505 -3.145 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 50 7.407 -3.500 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.147 -2.681 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.081 -1.486 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.824 -2.457 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.549 -5.099 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.243 -4.974 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.775 -5.663 -0.390 1.00 0.00 H new ATOM 700 N ARG A 51 9.124 -1.940 -0.683 1.00 0.00 N ATOM 701 CA ARG A 51 9.957 -0.755 -0.510 1.00 0.00 C ATOM 702 C ARG A 51 10.375 -0.182 -1.862 1.00 0.00 C ATOM 703 O ARG A 51 10.437 1.033 -2.037 1.00 0.00 O ATOM 704 CB ARG A 51 11.198 -1.095 0.318 1.00 0.00 C ATOM 705 CG ARG A 51 12.010 0.124 0.725 1.00 0.00 C ATOM 706 CD ARG A 51 13.474 -0.029 0.345 1.00 0.00 C ATOM 707 NE ARG A 51 13.992 1.160 -0.327 1.00 0.00 N ATOM 708 CZ ARG A 51 15.276 1.343 -0.611 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.169 0.420 -0.282 1.00 0.00 N ATOM 710 NH2 ARG A 51 15.670 2.452 -1.224 1.00 0.00 N ATOM 0 H ARG A 51 9.422 -2.748 -0.137 1.00 0.00 H new ATOM 0 HA ARG A 51 9.371 -0.003 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.890 -1.632 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.834 -1.770 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.600 1.013 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.926 0.275 1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.063 -0.224 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.591 -0.894 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 51 13.331 1.890 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.870 -0.433 0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.155 0.563 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.986 3.165 -1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.657 2.591 -1.442 1.00 0.00 H new ATOM 721 N GLU A 52 10.659 -1.068 -2.812 1.00 0.00 N ATOM 722 CA GLU A 52 11.072 -0.649 -4.145 1.00 0.00 C ATOM 723 C GLU A 52 9.897 -0.052 -4.916 1.00 0.00 C ATOM 724 O GLU A 52 9.974 1.074 -5.410 1.00 0.00 O ATOM 725 CB GLU A 52 11.653 -1.834 -4.919 1.00 0.00 C ATOM 726 CG GLU A 52 13.156 -1.988 -4.759 1.00 0.00 C ATOM 727 CD GLU A 52 13.932 -0.877 -5.440 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.736 -0.677 -6.658 1.00 0.00 O ATOM 729 OE2 GLU A 52 14.734 -0.207 -4.757 1.00 0.00 O ATOM 0 H GLU A 52 10.610 -2.079 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 52 11.840 0.117 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.165 -2.750 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.419 -1.716 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.405 -2.002 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.465 -2.948 -5.172 1.00 0.00 H new ATOM 734 N ILE A 53 8.814 -0.814 -5.015 1.00 0.00 N ATOM 735 CA ILE A 53 7.624 -0.361 -5.725 1.00 0.00 C ATOM 736 C ILE A 53 7.235 1.052 -5.299 1.00 0.00 C ATOM 737 O ILE A 53 6.841 1.875 -6.126 1.00 0.00 O ATOM 738 CB ILE A 53 6.430 -1.304 -5.483 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.660 -2.643 -6.187 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.139 -0.659 -5.966 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.914 -3.795 -5.553 1.00 0.00 C ATOM 0 H ILE A 53 8.735 -1.748 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 53 7.870 -0.364 -6.787 1.00 0.00 H new ATOM 0 HB ILE A 53 6.342 -1.488 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.355 -2.553 -7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.727 -2.867 -6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.305 -1.337 -5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.972 0.272 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.214 -0.448 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.124 -4.712 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.236 -3.912 -4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.843 -3.593 -5.579 1.00 0.00 H new ATOM 752 N THR A 54 7.351 1.327 -4.004 1.00 0.00 N ATOM 753 CA THR A 54 7.013 2.640 -3.468 1.00 0.00 C ATOM 754 C THR A 54 8.058 3.678 -3.858 1.00 0.00 C ATOM 755 O THR A 54 7.741 4.683 -4.494 1.00 0.00 O ATOM 756 CB THR A 54 6.887 2.604 -1.934 1.00 0.00 C ATOM 757 OG1 THR A 54 6.665 1.261 -1.491 1.00 0.00 O ATOM 758 CG2 THR A 54 5.745 3.494 -1.463 1.00 0.00 C ATOM 0 H THR A 54 7.677 0.658 -3.306 1.00 0.00 H new ATOM 0 HA THR A 54 6.051 2.919 -3.897 1.00 0.00 H new ATOM 0 HB THR A 54 7.818 2.977 -1.507 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.475 0.729 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.676 3.452 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.932 4.521 -1.775 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.809 3.146 -1.900 1.00 0.00 H new ATOM 766 N GLU A 55 9.306 3.429 -3.471 1.00 0.00 N ATOM 767 CA GLU A 55 10.397 4.345 -3.781 1.00 0.00 C ATOM 768 C GLU A 55 10.425 4.674 -5.272 1.00 0.00 C ATOM 769 O GLU A 55 10.776 5.785 -5.665 1.00 0.00 O ATOM 770 CB GLU A 55 11.736 3.739 -3.357 1.00 0.00 C ATOM 771 CG GLU A 55 12.443 4.526 -2.266 1.00 0.00 C ATOM 772 CD GLU A 55 13.473 5.492 -2.817 1.00 0.00 C ATOM 773 OE1 GLU A 55 13.083 6.610 -3.215 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.667 5.131 -2.849 1.00 0.00 O ATOM 0 H GLU A 55 9.586 2.602 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 55 10.231 5.268 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.570 2.720 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.388 3.675 -4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.705 5.080 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.931 3.832 -1.581 1.00 0.00 H new ATOM 779 N ASN A 56 10.053 3.699 -6.094 1.00 0.00 N ATOM 780 CA ASN A 56 10.035 3.885 -7.540 1.00 0.00 C ATOM 781 C ASN A 56 8.701 4.466 -7.999 1.00 0.00 C ATOM 782 O ASN A 56 8.611 5.077 -9.065 1.00 0.00 O ATOM 783 CB ASN A 56 10.295 2.554 -8.249 1.00 0.00 C ATOM 784 CG ASN A 56 11.755 2.366 -8.611 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.631 2.412 -7.746 1.00 0.00 O ATOM 786 ND2 ASN A 56 12.026 2.154 -9.893 1.00 0.00 N ATOM 0 H ASN A 56 9.760 2.772 -5.784 1.00 0.00 H new ATOM 0 HA ASN A 56 10.825 4.589 -7.800 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.975 1.734 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.690 2.504 -9.154 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.991 2.021 -10.195 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.269 2.124 -10.576 1.00 0.00 H new ATOM 792 N LEU A 57 7.667 4.272 -7.187 1.00 0.00 N ATOM 793 CA LEU A 57 6.338 4.777 -7.508 1.00 0.00 C ATOM 794 C LEU A 57 6.331 6.302 -7.556 1.00 0.00 C ATOM 795 O LEU A 57 6.011 6.898 -8.583 1.00 0.00 O ATOM 796 CB LEU A 57 5.320 4.284 -6.477 1.00 0.00 C ATOM 797 CG LEU A 57 4.339 3.216 -6.961 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.364 2.846 -5.854 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.589 3.700 -8.194 1.00 0.00 C ATOM 0 H LEU A 57 7.724 3.769 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 57 6.062 4.399 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.864 3.888 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.747 5.141 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 57 4.906 2.325 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.673 2.085 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.916 2.457 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.803 3.731 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.895 2.927 -8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.034 4.606 -7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.300 3.914 -8.992 1.00 0.00 H new ATOM 810 N MET A 58 6.687 6.925 -6.438 1.00 0.00 N ATOM 811 CA MET A 58 6.726 8.380 -6.354 1.00 0.00 C ATOM 812 C MET A 58 8.054 8.920 -6.877 1.00 0.00 C ATOM 813 O MET A 58 8.234 10.131 -7.007 1.00 0.00 O ATOM 814 CB MET A 58 6.511 8.835 -4.909 1.00 0.00 C ATOM 815 CG MET A 58 7.506 8.236 -3.929 1.00 0.00 C ATOM 816 SD MET A 58 8.898 9.333 -3.595 1.00 0.00 S ATOM 817 CE MET A 58 8.948 9.281 -1.805 1.00 0.00 C ATOM 0 H MET A 58 6.953 6.445 -5.578 1.00 0.00 H new ATOM 0 HA MET A 58 5.923 8.776 -6.975 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.580 9.922 -4.865 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.501 8.567 -4.599 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.996 8.007 -2.993 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.879 7.293 -4.327 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.581 10.088 -1.435 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.939 9.401 -1.409 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.354 8.323 -1.480 1.00 0.00 H new ATOM 825 N ALA A 59 8.979 8.015 -7.174 1.00 0.00 N ATOM 826 CA ALA A 59 10.289 8.400 -7.685 1.00 0.00 C ATOM 827 C ALA A 59 10.162 9.448 -8.787 1.00 0.00 C ATOM 828 O ALA A 59 11.075 10.243 -9.009 1.00 0.00 O ATOM 829 CB ALA A 59 11.036 7.179 -8.198 1.00 0.00 C ATOM 0 H ALA A 59 8.846 7.009 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 59 10.856 8.840 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.012 7.482 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.168 6.465 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.464 6.713 -9.001 1.00 0.00 H new ATOM 835 N THR A 60 9.025 9.441 -9.475 1.00 0.00 N ATOM 836 CA THR A 60 8.780 10.389 -10.554 1.00 0.00 C ATOM 837 C THR A 60 7.780 11.459 -10.131 1.00 0.00 C ATOM 838 O THR A 60 8.081 12.652 -10.163 1.00 0.00 O ATOM 839 CB THR A 60 8.251 9.679 -11.815 1.00 0.00 C ATOM 840 OG1 THR A 60 7.383 8.602 -11.443 1.00 0.00 O ATOM 841 CG2 THR A 60 9.399 9.144 -12.657 1.00 0.00 C ATOM 0 H THR A 60 8.259 8.789 -9.304 1.00 0.00 H new ATOM 0 HA THR A 60 9.736 10.860 -10.784 1.00 0.00 H new ATOM 0 HB THR A 60 7.695 10.405 -12.408 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.050 8.157 -12.250 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.001 8.647 -13.542 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.041 9.970 -12.963 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.979 8.431 -12.071 1.00 0.00 H new ATOM 849 N GLY A 61 6.588 11.024 -9.732 1.00 0.00 N ATOM 850 CA GLY A 61 5.562 11.958 -9.307 1.00 0.00 C ATOM 851 C GLY A 61 4.233 11.279 -9.040 1.00 0.00 C ATOM 852 O GLY A 61 3.186 11.754 -9.482 1.00 0.00 O ATOM 0 H GLY A 61 6.315 10.042 -9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.893 12.470 -8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.429 12.721 -10.074 1.00 0.00 H new ATOM 856 N ASP A 62 4.275 10.164 -8.319 1.00 0.00 N ATOM 857 CA ASP A 62 3.065 9.417 -7.996 1.00 0.00 C ATOM 858 C ASP A 62 2.508 9.846 -6.642 1.00 0.00 C ATOM 859 O ASP A 62 1.345 10.238 -6.533 1.00 0.00 O ATOM 860 CB ASP A 62 3.353 7.915 -7.991 1.00 0.00 C ATOM 861 CG ASP A 62 3.386 7.327 -9.388 1.00 0.00 C ATOM 862 OD1 ASP A 62 4.143 7.848 -10.234 1.00 0.00 O ATOM 863 OD2 ASP A 62 2.653 6.347 -9.635 1.00 0.00 O ATOM 0 H ASP A 62 5.134 9.758 -7.947 1.00 0.00 H new ATOM 0 HA ASP A 62 2.319 9.633 -8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.309 7.733 -7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.591 7.404 -7.403 1.00 0.00 H new ATOM 867 N LEU A 63 3.344 9.767 -5.612 1.00 0.00 N ATOM 868 CA LEU A 63 2.935 10.145 -4.264 1.00 0.00 C ATOM 869 C LEU A 63 3.334 11.586 -3.959 1.00 0.00 C ATOM 870 O LEU A 63 2.940 12.146 -2.935 1.00 0.00 O ATOM 871 CB LEU A 63 3.561 9.202 -3.236 1.00 0.00 C ATOM 872 CG LEU A 63 3.252 7.715 -3.414 1.00 0.00 C ATOM 873 CD1 LEU A 63 2.962 7.401 -4.873 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.406 6.865 -2.903 1.00 0.00 C ATOM 0 H LEU A 63 4.309 9.445 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 63 1.849 10.067 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.643 9.334 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.228 9.506 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 63 2.364 7.476 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.744 6.338 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.103 7.983 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.831 7.656 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.168 5.810 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.311 7.107 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.567 7.068 -1.844 1.00 0.00 H new ATOM 885 N ASP A 64 4.116 12.180 -4.852 1.00 0.00 N ATOM 886 CA ASP A 64 4.566 13.556 -4.680 1.00 0.00 C ATOM 887 C ASP A 64 3.392 14.475 -4.357 1.00 0.00 C ATOM 888 O ASP A 64 3.570 15.539 -3.765 1.00 0.00 O ATOM 889 CB ASP A 64 5.279 14.044 -5.942 1.00 0.00 C ATOM 890 CG ASP A 64 4.310 14.433 -7.041 1.00 0.00 C ATOM 891 OD1 ASP A 64 4.421 15.565 -7.558 1.00 0.00 O ATOM 892 OD2 ASP A 64 3.440 13.606 -7.385 1.00 0.00 O ATOM 0 H ASP A 64 4.452 11.730 -5.703 1.00 0.00 H new ATOM 0 HA ASP A 64 5.265 13.582 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.905 14.901 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.942 13.260 -6.307 1.00 0.00 H new ATOM 896 N GLN A 65 2.193 14.056 -4.750 1.00 0.00 N ATOM 897 CA GLN A 65 0.991 14.843 -4.504 1.00 0.00 C ATOM 898 C GLN A 65 0.891 15.238 -3.034 1.00 0.00 C ATOM 899 O GLN A 65 0.414 16.324 -2.704 1.00 0.00 O ATOM 900 CB GLN A 65 -0.253 14.056 -4.918 1.00 0.00 C ATOM 901 CG GLN A 65 -0.756 13.103 -3.845 1.00 0.00 C ATOM 902 CD GLN A 65 -2.064 12.436 -4.223 1.00 0.00 C ATOM 903 OE1 GLN A 65 -2.091 11.519 -5.045 1.00 0.00 O ATOM 904 NE2 GLN A 65 -3.156 12.894 -3.624 1.00 0.00 N ATOM 0 H GLN A 65 2.029 13.176 -5.240 1.00 0.00 H new ATOM 0 HA GLN A 65 1.053 15.752 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.048 14.757 -5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.029 13.488 -5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.002 12.338 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.888 13.650 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.086 13.656 -2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.065 12.484 -3.838 1.00 0.00 H new ATOM 911 N ASP A 66 1.343 14.350 -2.156 1.00 0.00 N ATOM 912 CA ASP A 66 1.304 14.606 -0.721 1.00 0.00 C ATOM 913 C ASP A 66 2.500 13.964 -0.022 1.00 0.00 C ATOM 914 O ASP A 66 3.054 14.525 0.923 1.00 0.00 O ATOM 915 CB ASP A 66 0.002 14.075 -0.120 1.00 0.00 C ATOM 916 CG ASP A 66 0.128 12.642 0.360 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.347 11.749 -0.485 1.00 0.00 O ATOM 918 OD2 ASP A 66 0.008 12.414 1.581 1.00 0.00 O ATOM 0 H ASP A 66 1.741 13.446 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 66 1.351 15.684 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.295 14.710 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.791 14.137 -0.865 1.00 0.00 H new ATOM 922 N GLY A 67 2.891 12.784 -0.494 1.00 0.00 N ATOM 923 CA GLY A 67 4.017 12.086 0.098 1.00 0.00 C ATOM 924 C GLY A 67 3.608 10.790 0.768 1.00 0.00 C ATOM 925 O GLY A 67 4.327 9.793 0.700 1.00 0.00 O ATOM 0 H GLY A 67 2.448 12.300 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.756 11.875 -0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.498 12.734 0.831 1.00 0.00 H new ATOM 929 N ARG A 68 2.449 10.801 1.419 1.00 0.00 N ATOM 930 CA ARG A 68 1.947 9.618 2.106 1.00 0.00 C ATOM 931 C ARG A 68 1.395 8.603 1.110 1.00 0.00 C ATOM 932 O ARG A 68 1.595 8.733 -0.098 1.00 0.00 O ATOM 933 CB ARG A 68 0.858 10.008 3.108 1.00 0.00 C ATOM 934 CG ARG A 68 1.244 11.173 4.005 1.00 0.00 C ATOM 935 CD ARG A 68 2.552 10.905 4.732 1.00 0.00 C ATOM 936 NE ARG A 68 2.911 11.997 5.633 1.00 0.00 N ATOM 937 CZ ARG A 68 2.293 12.233 6.785 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.292 11.458 7.174 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.678 13.246 7.550 1.00 0.00 N ATOM 0 H ARG A 68 1.840 11.617 1.485 1.00 0.00 H new ATOM 0 HA ARG A 68 2.779 9.160 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.050 10.266 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.622 9.144 3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.338 12.079 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.452 11.352 4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.468 9.979 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.349 10.760 4.003 1.00 0.00 H new ATOM 0 HE ARG A 68 3.678 12.612 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.994 10.678 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.819 11.641 8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.449 13.844 7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.203 13.427 8.434 1.00 0.00 H new ATOM 950 N ILE A 69 0.703 7.592 1.624 1.00 0.00 N ATOM 951 CA ILE A 69 0.123 6.555 0.779 1.00 0.00 C ATOM 952 C ILE A 69 -1.244 6.123 1.299 1.00 0.00 C ATOM 953 O ILE A 69 -1.353 5.539 2.377 1.00 0.00 O ATOM 954 CB ILE A 69 1.041 5.321 0.693 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.405 5.712 0.122 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.394 4.239 -0.158 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.493 4.700 0.407 1.00 0.00 C ATOM 0 H ILE A 69 0.530 7.469 2.622 1.00 0.00 H new ATOM 0 HA ILE A 69 0.011 6.985 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 69 1.189 4.925 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.314 5.842 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.700 6.676 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.054 3.373 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.556 3.945 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.219 4.623 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.432 5.043 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.612 4.587 1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.220 3.740 -0.031 1.00 0.00 H new ATOM 968 N SER A 70 -2.284 6.414 0.524 1.00 0.00 N ATOM 969 CA SER A 70 -3.645 6.056 0.907 1.00 0.00 C ATOM 970 C SER A 70 -3.935 4.595 0.581 1.00 0.00 C ATOM 971 O SER A 70 -3.310 4.007 -0.301 1.00 0.00 O ATOM 972 CB SER A 70 -4.652 6.959 0.191 1.00 0.00 C ATOM 973 OG SER A 70 -5.297 6.268 -0.864 1.00 0.00 O ATOM 0 H SER A 70 -2.210 6.896 -0.372 1.00 0.00 H new ATOM 0 HA SER A 70 -3.742 6.196 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.395 7.317 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.141 7.837 -0.204 1.00 0.00 H new ATOM 0 HG SER A 70 -5.936 6.866 -1.304 1.00 0.00 H new ATOM 978 N PHE A 71 -4.889 4.012 1.301 1.00 0.00 N ATOM 979 CA PHE A 71 -5.262 2.619 1.092 1.00 0.00 C ATOM 980 C PHE A 71 -5.461 2.326 -0.393 1.00 0.00 C ATOM 981 O PHE A 71 -5.121 1.246 -0.875 1.00 0.00 O ATOM 982 CB PHE A 71 -6.542 2.290 1.863 1.00 0.00 C ATOM 983 CG PHE A 71 -6.804 0.816 1.988 1.00 0.00 C ATOM 984 CD1 PHE A 71 -8.099 0.325 1.963 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.755 -0.078 2.134 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.344 -1.030 2.078 1.00 0.00 C ATOM 987 CE2 PHE A 71 -5.994 -1.434 2.248 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.290 -1.911 2.222 1.00 0.00 C ATOM 0 H PHE A 71 -5.417 4.484 2.035 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.451 1.993 1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.478 2.725 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.389 2.760 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.927 1.009 1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.740 0.289 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.358 -1.400 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.168 -2.121 2.357 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.479 -2.970 2.314 1.00 0.00 H new ATOM 997 N ASP A 72 -6.014 3.298 -1.112 1.00 0.00 N ATOM 998 CA ASP A 72 -6.257 3.146 -2.541 1.00 0.00 C ATOM 999 C ASP A 72 -4.978 2.753 -3.273 1.00 0.00 C ATOM 1000 O ASP A 72 -4.942 1.749 -3.982 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.815 4.446 -3.126 1.00 0.00 C ATOM 1002 CG ASP A 72 -8.198 4.772 -2.597 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -9.151 4.801 -3.405 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.327 4.998 -1.376 1.00 0.00 O ATOM 0 H ASP A 72 -6.302 4.198 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.990 2.350 -2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.137 5.267 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.854 4.365 -4.212 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.931 3.552 -3.094 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.650 3.288 -3.739 1.00 0.00 C ATOM 1010 C GLU A 73 -2.122 1.908 -3.355 1.00 0.00 C ATOM 1011 O GLU A 73 -1.690 1.137 -4.211 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.630 4.361 -3.356 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.326 5.340 -4.478 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.256 6.538 -4.475 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.672 6.962 -3.376 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.569 7.048 -5.570 1.00 0.00 O ATOM 0 H GLU A 73 -3.944 4.387 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.804 3.312 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.003 4.914 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.704 3.876 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.296 5.684 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.405 4.825 -5.436 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.162 1.605 -2.063 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.687 0.320 -1.564 1.00 0.00 C ATOM 1023 C PHE A 74 -2.340 -0.833 -2.322 1.00 0.00 C ATOM 1024 O PHE A 74 -1.668 -1.783 -2.725 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.978 0.190 -0.067 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.687 -1.176 0.484 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.577 -2.221 0.288 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.525 -1.416 1.200 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.312 -3.480 0.793 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.255 -2.673 1.707 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.150 -3.706 1.505 1.00 0.00 C ATOM 0 H PHE A 74 -2.519 2.232 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.610 0.273 -1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.384 0.926 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.026 0.430 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.488 -2.049 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.177 -0.612 1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.012 -4.286 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.655 -2.848 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.942 -4.688 1.903 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.652 -0.741 -2.511 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.395 -1.775 -3.220 1.00 0.00 C ATOM 1042 C ILE A 75 -3.921 -1.900 -4.664 1.00 0.00 C ATOM 1043 O ILE A 75 -3.474 -2.964 -5.094 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.908 -1.487 -3.211 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.458 -1.583 -1.787 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.636 -2.454 -4.132 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.291 -2.951 -1.164 1.00 0.00 C ATOM 0 H ILE A 75 -4.222 0.039 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.209 -2.713 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.073 -0.474 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.956 -0.845 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.517 -1.325 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.704 -2.238 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.259 -2.342 -5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.467 -3.476 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.704 -2.944 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.817 -3.692 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.232 -3.204 -1.121 1.00 0.00 H new ATOM 1058 N LYS A 76 -4.019 -0.805 -5.409 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.598 -0.788 -6.806 1.00 0.00 C ATOM 1060 C LYS A 76 -2.179 -1.328 -6.952 1.00 0.00 C ATOM 1061 O LYS A 76 -1.832 -1.915 -7.976 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.674 0.634 -7.366 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.994 0.686 -8.850 1.00 0.00 C ATOM 1064 CD LYS A 76 -3.891 2.101 -9.393 1.00 0.00 C ATOM 1065 CE LYS A 76 -2.490 2.401 -9.904 1.00 0.00 C ATOM 1066 NZ LYS A 76 -2.148 3.845 -9.768 1.00 0.00 N ATOM 0 H LYS A 76 -4.387 0.084 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.273 -1.431 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.435 1.191 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.723 1.136 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.309 0.036 -9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.000 0.302 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.611 2.235 -10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.154 2.812 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.766 1.802 -9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.414 2.107 -10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.186 4.009 -10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.824 4.415 -10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.195 4.120 -8.766 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.365 -1.127 -5.921 1.00 0.00 N ATOM 1077 CA ILE A 77 0.015 -1.596 -5.935 1.00 0.00 C ATOM 1078 C ILE A 77 0.084 -3.108 -5.746 1.00 0.00 C ATOM 1079 O ILE A 77 0.822 -3.800 -6.447 1.00 0.00 O ATOM 1080 CB ILE A 77 0.853 -0.914 -4.838 1.00 0.00 C ATOM 1081 CG1 ILE A 77 0.991 0.582 -5.129 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.223 -1.567 -4.734 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.184 1.424 -3.886 1.00 0.00 C ATOM 0 H ILE A 77 -1.637 -0.643 -5.066 1.00 0.00 H new ATOM 0 HA ILE A 77 0.427 -1.335 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 77 0.342 -1.035 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.837 0.737 -5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.101 0.925 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.803 -1.073 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.105 -2.622 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.744 -1.474 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.274 2.473 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.327 1.298 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.090 1.108 -3.369 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.693 -3.615 -4.794 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.721 -5.045 -4.512 1.00 0.00 C ATOM 1096 C PHE A 78 -1.199 -5.831 -5.729 1.00 0.00 C ATOM 1097 O PHE A 78 -0.746 -6.948 -5.979 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.632 -5.332 -3.316 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.830 -6.797 -3.052 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -3.057 -7.397 -3.288 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -0.791 -7.575 -2.567 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -3.242 -8.746 -3.047 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -0.971 -8.923 -2.325 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.198 -9.510 -2.564 1.00 0.00 C ATOM 0 H PHE A 78 -1.311 -3.057 -4.205 1.00 0.00 H new ATOM 0 HA PHE A 78 0.294 -5.362 -4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.209 -4.865 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.603 -4.868 -3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.878 -6.804 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.171 -7.122 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.203 -9.202 -3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.152 -9.518 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.341 -10.563 -2.374 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.118 -5.237 -6.485 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.658 -5.880 -7.677 1.00 0.00 C ATOM 1115 C HIS A 79 -1.744 -5.656 -8.877 1.00 0.00 C ATOM 1116 O HIS A 79 -1.613 -6.522 -9.741 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.059 -5.346 -7.981 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.143 -6.358 -7.780 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.942 -6.819 -8.806 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.559 -7.001 -6.664 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.803 -7.700 -8.330 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.592 -7.829 -7.032 1.00 0.00 N ATOM 0 H HIS A 79 -2.503 -4.312 -6.293 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.720 -6.951 -7.485 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.256 -4.484 -7.344 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.089 -4.994 -9.012 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.154 -6.885 -5.669 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.552 -8.225 -8.904 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.112 -8.443 -6.405 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.113 -4.486 -8.924 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.220 -4.169 -10.023 1.00 0.00 C ATOM 1131 C GLY A 80 -0.916 -3.416 -11.139 1.00 0.00 C ATOM 1132 O GLY A 80 -0.496 -2.322 -11.517 1.00 0.00 O ATOM 0 H GLY A 80 -1.205 -3.753 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.612 -3.572 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.203 -5.092 -10.421 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.986 -4.001 -11.668 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.742 -3.379 -12.748 1.00 0.00 C ATOM 1138 C LEU A 81 -4.240 -3.595 -12.559 1.00 0.00 C ATOM 1139 O LEU A 81 -4.668 -4.264 -11.617 1.00 0.00 O ATOM 1140 CB LEU A 81 -2.300 -3.944 -14.098 1.00 0.00 C ATOM 1141 CG LEU A 81 -2.675 -5.402 -14.371 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -3.929 -5.479 -15.227 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -1.522 -6.132 -15.044 1.00 0.00 C ATOM 0 H LEU A 81 -2.349 -4.905 -11.366 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.543 -2.308 -12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.729 -3.326 -14.886 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.217 -3.848 -14.172 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.880 -5.889 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.180 -6.524 -15.411 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.755 -4.993 -14.707 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.752 -4.976 -16.178 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.806 -7.168 -15.231 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.285 -5.645 -15.990 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.647 -6.108 -14.394 1.00 0.00 H new ATOM 1154 N LYS A 82 -5.034 -3.026 -13.460 1.00 0.00 N ATOM 1155 CA LYS A 82 -6.484 -3.159 -13.396 1.00 0.00 C ATOM 1156 C LYS A 82 -6.897 -4.627 -13.415 1.00 0.00 C ATOM 1157 O LYS A 82 -7.320 -5.176 -12.397 1.00 0.00 O ATOM 1158 CB LYS A 82 -7.137 -2.419 -14.566 1.00 0.00 C ATOM 1159 CG LYS A 82 -7.265 -0.922 -14.344 1.00 0.00 C ATOM 1160 CD LYS A 82 -8.151 -0.276 -15.395 1.00 0.00 C ATOM 1161 CE LYS A 82 -7.331 0.278 -16.550 1.00 0.00 C ATOM 1162 NZ LYS A 82 -7.979 1.466 -17.172 1.00 0.00 N ATOM 0 H LYS A 82 -4.697 -2.468 -14.244 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.823 -2.716 -12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.552 -2.595 -15.468 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.128 -2.838 -14.742 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.679 -0.734 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.276 -0.464 -14.369 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.864 -1.009 -15.772 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.730 0.527 -14.940 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.339 0.552 -16.192 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.195 -0.498 -17.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.389 1.813 -17.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.916 1.199 -17.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.086 2.216 -16.460 1.00 0.00 H new TER 1172 LYS A 82