USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 656 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 8 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 88:sc= 0.673 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.398 K(o=-0.4,f=-4.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00275 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -174:sc= 0 (180deg=-0.0419) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0781 USER MOD Single : A 56 ASN : amide:sc= 0.453 K(o=0.45,f=-4.8!) USER MOD Single : A 59 THR OG1 : rot -32:sc= -0.168! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -2.5! F(o=-4.2,f=-2.5!) USER MOD Single : A 78 GLN : amide:sc= -0.0458 X(o=-0.046,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -125:sc= 0.868 (180deg=-0.559) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.666 -13.497 29.597 1.00 0.00 N ATOM 2 CA MET A 1 6.365 -13.566 28.138 1.00 0.00 C ATOM 3 C MET A 1 5.979 -12.180 27.612 1.00 0.00 C ATOM 4 O MET A 1 6.689 -11.584 26.827 1.00 0.00 O ATOM 5 CB MET A 1 5.185 -14.532 28.024 1.00 0.00 C ATOM 6 CG MET A 1 5.703 -15.971 28.000 1.00 0.00 C ATOM 7 SD MET A 1 5.671 -16.597 26.303 1.00 0.00 S ATOM 8 CE MET A 1 7.360 -17.247 26.269 1.00 0.00 C ATOM 0 H1 MET A 1 6.927 -14.443 29.943 1.00 0.00 H new ATOM 0 H2 MET A 1 7.456 -12.840 29.758 1.00 0.00 H new ATOM 0 H3 MET A 1 5.826 -13.160 30.109 1.00 0.00 H new ATOM 0 HA MET A 1 7.222 -13.899 27.553 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.505 -14.393 28.865 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.617 -14.324 27.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.719 -16.010 28.394 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.088 -16.601 28.643 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.560 -17.689 25.293 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.066 -16.436 26.451 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.473 -18.007 27.042 1.00 0.00 H new ATOM 20 N LYS A 2 4.858 -11.665 28.037 1.00 0.00 N ATOM 21 CA LYS A 2 4.429 -10.318 27.560 1.00 0.00 C ATOM 22 C LYS A 2 3.732 -9.555 28.688 1.00 0.00 C ATOM 23 O LYS A 2 3.401 -10.112 29.716 1.00 0.00 O ATOM 24 CB LYS A 2 3.451 -10.595 26.415 1.00 0.00 C ATOM 25 CG LYS A 2 2.329 -11.509 26.910 1.00 0.00 C ATOM 26 CD LYS A 2 2.573 -12.933 26.408 1.00 0.00 C ATOM 27 CE LYS A 2 1.649 -13.223 25.223 1.00 0.00 C ATOM 28 NZ LYS A 2 2.081 -14.556 24.717 1.00 0.00 N ATOM 0 H LYS A 2 4.221 -12.117 28.693 1.00 0.00 H new ATOM 0 HA LYS A 2 5.272 -9.707 27.237 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.034 -9.658 26.044 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.974 -11.063 25.581 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.290 -11.498 27.999 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.365 -11.146 26.553 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.614 -13.051 26.108 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.389 -13.649 27.209 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.604 -13.237 25.531 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.743 -12.458 24.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.493 -14.825 23.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.078 -14.510 24.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.974 -15.265 25.470 1.00 0.00 H new ATOM 42 N LEU A 3 3.509 -8.283 28.507 1.00 0.00 N ATOM 43 CA LEU A 3 2.834 -7.484 29.571 1.00 0.00 C ATOM 44 C LEU A 3 1.794 -6.549 28.952 1.00 0.00 C ATOM 45 O LEU A 3 1.889 -6.175 27.799 1.00 0.00 O ATOM 46 CB LEU A 3 3.954 -6.680 30.230 1.00 0.00 C ATOM 47 CG LEU A 3 4.410 -7.389 31.506 1.00 0.00 C ATOM 48 CD1 LEU A 3 5.861 -7.011 31.809 1.00 0.00 C ATOM 49 CD2 LEU A 3 3.516 -6.964 32.672 1.00 0.00 C ATOM 0 H LEU A 3 3.765 -7.761 27.669 1.00 0.00 H new ATOM 0 HA LEU A 3 2.306 -8.113 30.288 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.792 -6.573 29.542 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.604 -5.675 30.465 1.00 0.00 H new ATOM 0 HG LEU A 3 4.338 -8.468 31.368 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.186 -7.516 32.718 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.497 -7.315 30.978 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.935 -5.932 31.947 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.840 -7.469 33.582 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.587 -5.885 32.811 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.483 -7.235 32.456 1.00 0.00 H new ATOM 61 N LYS A 4 0.801 -6.167 29.708 1.00 0.00 N ATOM 62 CA LYS A 4 -0.243 -5.254 29.161 1.00 0.00 C ATOM 63 C LYS A 4 -0.308 -3.969 29.989 1.00 0.00 C ATOM 64 O LYS A 4 -0.559 -3.996 31.177 1.00 0.00 O ATOM 65 CB LYS A 4 -1.551 -6.036 29.280 1.00 0.00 C ATOM 66 CG LYS A 4 -2.664 -5.284 28.547 1.00 0.00 C ATOM 67 CD LYS A 4 -3.962 -5.381 29.351 1.00 0.00 C ATOM 68 CE LYS A 4 -3.921 -4.383 30.511 1.00 0.00 C ATOM 69 NZ LYS A 4 -5.141 -4.676 31.313 1.00 0.00 N ATOM 0 H LYS A 4 0.667 -6.447 30.680 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.037 -4.958 28.133 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.431 -7.033 28.856 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.815 -6.166 30.329 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.384 -4.239 28.413 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.808 -5.705 27.552 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.817 -5.172 28.708 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.091 -6.394 29.733 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.017 -4.507 31.107 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.924 -3.355 30.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.184 -4.031 32.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.986 -4.543 30.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.107 -5.659 31.651 1.00 0.00 H new ATOM 83 N VAL A 5 -0.084 -2.841 29.369 1.00 0.00 N ATOM 84 CA VAL A 5 -0.135 -1.554 30.121 1.00 0.00 C ATOM 85 C VAL A 5 -0.997 -0.539 29.367 1.00 0.00 C ATOM 86 O VAL A 5 -0.695 0.637 29.327 1.00 0.00 O ATOM 87 CB VAL A 5 1.317 -1.076 30.191 1.00 0.00 C ATOM 88 CG1 VAL A 5 2.156 -2.104 30.952 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.870 -0.914 28.773 1.00 0.00 C ATOM 0 H VAL A 5 0.132 -2.755 28.376 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.573 -1.671 31.112 1.00 0.00 H new ATOM 0 HB VAL A 5 1.360 -0.118 30.709 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.190 -1.764 31.002 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.762 -2.219 31.962 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.114 -3.063 30.435 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.904 -0.573 28.823 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.828 -1.872 28.254 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.272 -0.181 28.231 1.00 0.00 H new ATOM 99 N THR A 6 -2.070 -0.986 28.767 1.00 0.00 N ATOM 100 CA THR A 6 -2.957 -0.052 28.009 1.00 0.00 C ATOM 101 C THR A 6 -2.165 0.635 26.892 1.00 0.00 C ATOM 102 O THR A 6 -0.952 0.696 26.923 1.00 0.00 O ATOM 103 CB THR A 6 -3.444 0.975 29.038 1.00 0.00 C ATOM 104 OG1 THR A 6 -3.549 0.355 30.312 1.00 0.00 O ATOM 105 CG2 THR A 6 -4.812 1.514 28.616 1.00 0.00 C ATOM 0 H THR A 6 -2.371 -1.960 28.769 1.00 0.00 H new ATOM 0 HA THR A 6 -3.791 -0.571 27.536 1.00 0.00 H new ATOM 0 HB THR A 6 -2.733 1.799 29.093 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.859 1.011 30.971 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.157 2.244 29.348 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.730 1.991 27.639 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.525 0.692 28.559 1.00 0.00 H new ATOM 113 N VAL A 7 -2.842 1.150 25.902 1.00 0.00 N ATOM 114 CA VAL A 7 -2.123 1.830 24.785 1.00 0.00 C ATOM 115 C VAL A 7 -2.855 3.115 24.392 1.00 0.00 C ATOM 116 O VAL A 7 -3.427 3.214 23.324 1.00 0.00 O ATOM 117 CB VAL A 7 -2.144 0.826 23.630 1.00 0.00 C ATOM 118 CG1 VAL A 7 -1.329 1.380 22.460 1.00 0.00 C ATOM 119 CG2 VAL A 7 -1.537 -0.499 24.093 1.00 0.00 C ATOM 0 H VAL A 7 -3.858 1.130 25.817 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.107 2.114 25.059 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.173 0.661 23.311 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.343 0.666 21.637 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.762 2.324 22.129 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.300 1.545 22.779 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.552 -1.214 23.270 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.508 -0.336 24.413 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.118 -0.894 24.927 1.00 0.00 H new ATOM 129 N ASN A 8 -2.842 4.100 25.247 1.00 0.00 N ATOM 130 CA ASN A 8 -3.538 5.379 24.922 1.00 0.00 C ATOM 131 C ASN A 8 -2.514 6.497 24.705 1.00 0.00 C ATOM 132 O ASN A 8 -1.605 6.680 25.491 1.00 0.00 O ATOM 133 CB ASN A 8 -4.409 5.677 26.143 1.00 0.00 C ATOM 134 CG ASN A 8 -5.415 6.776 25.798 1.00 0.00 C ATOM 135 OD1 ASN A 8 -5.894 6.849 24.683 1.00 0.00 O ATOM 136 ND2 ASN A 8 -5.760 7.639 26.714 1.00 0.00 N ATOM 0 H ASN A 8 -2.380 4.076 26.156 1.00 0.00 H new ATOM 0 HA ASN A 8 -4.129 5.308 24.009 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.934 4.775 26.457 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.785 5.991 26.980 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.432 8.375 26.494 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.358 7.578 27.650 1.00 0.00 H new ATOM 143 N GLY A 9 -2.652 7.244 23.645 1.00 0.00 N ATOM 144 CA GLY A 9 -1.686 8.348 23.381 1.00 0.00 C ATOM 145 C GLY A 9 -1.185 8.255 21.938 1.00 0.00 C ATOM 146 O GLY A 9 -0.843 9.247 21.325 1.00 0.00 O ATOM 0 H GLY A 9 -3.391 7.138 22.950 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.165 9.312 23.549 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.847 8.284 24.073 1.00 0.00 H new ATOM 150 N ALA A 10 -1.139 7.071 21.391 1.00 0.00 N ATOM 151 CA ALA A 10 -0.659 6.917 19.988 1.00 0.00 C ATOM 152 C ALA A 10 -1.245 5.647 19.365 1.00 0.00 C ATOM 153 O ALA A 10 -2.087 4.991 19.945 1.00 0.00 O ATOM 154 CB ALA A 10 0.863 6.807 20.099 1.00 0.00 C ATOM 0 H ALA A 10 -1.413 6.204 21.854 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.962 7.750 19.354 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.293 6.691 19.104 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.260 7.710 20.563 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.122 5.942 20.709 1.00 0.00 H new ATOM 160 N GLY A 11 -0.807 5.296 18.187 1.00 0.00 N ATOM 161 CA GLY A 11 -1.341 4.071 17.528 1.00 0.00 C ATOM 162 C GLY A 11 -0.225 3.033 17.400 1.00 0.00 C ATOM 163 O GLY A 11 0.441 2.700 18.360 1.00 0.00 O ATOM 0 H GLY A 11 -0.103 5.805 17.653 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.167 3.663 18.110 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.737 4.318 16.543 1.00 0.00 H new ATOM 167 N LYS A 12 -0.015 2.518 16.220 1.00 0.00 N ATOM 168 CA LYS A 12 1.058 1.500 16.030 1.00 0.00 C ATOM 169 C LYS A 12 1.880 1.826 14.780 1.00 0.00 C ATOM 170 O LYS A 12 2.431 0.951 14.143 1.00 0.00 O ATOM 171 CB LYS A 12 0.318 0.173 15.854 1.00 0.00 C ATOM 172 CG LYS A 12 -0.298 -0.251 17.190 1.00 0.00 C ATOM 173 CD LYS A 12 -1.615 -0.988 16.934 1.00 0.00 C ATOM 174 CE LYS A 12 -2.774 0.010 16.958 1.00 0.00 C ATOM 175 NZ LYS A 12 -4.004 -0.830 16.993 1.00 0.00 N ATOM 0 H LYS A 12 -0.540 2.758 15.379 1.00 0.00 H new ATOM 0 HA LYS A 12 1.753 1.471 16.869 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.461 0.277 15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.006 -0.594 15.499 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.393 -0.896 17.733 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.474 0.624 17.815 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.578 -1.495 15.970 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.767 -1.756 17.692 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.716 0.662 17.830 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.760 0.653 16.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.843 -0.216 17.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.035 -1.435 16.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.993 -1.426 17.845 1.00 0.00 H new ATOM 189 N ALA A 13 1.967 3.079 14.425 1.00 0.00 N ATOM 190 CA ALA A 13 2.753 3.457 13.215 1.00 0.00 C ATOM 191 C ALA A 13 4.192 2.950 13.340 1.00 0.00 C ATOM 192 O ALA A 13 4.899 3.280 14.272 1.00 0.00 O ATOM 193 CB ALA A 13 2.722 4.985 13.184 1.00 0.00 C ATOM 0 H ALA A 13 1.529 3.856 14.919 1.00 0.00 H new ATOM 0 HA ALA A 13 2.343 3.023 12.303 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.281 5.343 12.319 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.689 5.327 13.115 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.174 5.377 14.095 1.00 0.00 H new ATOM 199 N GLY A 14 4.633 2.151 12.407 1.00 0.00 N ATOM 200 CA GLY A 14 6.025 1.623 12.472 1.00 0.00 C ATOM 201 C GLY A 14 6.976 2.604 11.782 1.00 0.00 C ATOM 202 O GLY A 14 6.940 3.793 12.027 1.00 0.00 O ATOM 0 H GLY A 14 4.089 1.841 11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.323 1.481 13.511 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.078 0.648 11.989 1.00 0.00 H new ATOM 206 N GLU A 15 7.825 2.116 10.919 1.00 0.00 N ATOM 207 CA GLU A 15 8.777 3.024 10.214 1.00 0.00 C ATOM 208 C GLU A 15 8.649 2.853 8.697 1.00 0.00 C ATOM 209 O GLU A 15 9.086 1.867 8.135 1.00 0.00 O ATOM 210 CB GLU A 15 10.165 2.591 10.688 1.00 0.00 C ATOM 211 CG GLU A 15 11.186 3.669 10.324 1.00 0.00 C ATOM 212 CD GLU A 15 12.513 3.008 9.942 1.00 0.00 C ATOM 213 OE1 GLU A 15 12.473 2.020 9.228 1.00 0.00 O ATOM 214 OE2 GLU A 15 13.543 3.501 10.369 1.00 0.00 O ATOM 0 H GLU A 15 7.901 1.129 10.671 1.00 0.00 H new ATOM 0 HA GLU A 15 8.582 4.074 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.159 2.430 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.440 1.643 10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.815 4.271 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.333 4.345 11.167 1.00 0.00 H new ATOM 221 N GLY A 16 8.057 3.806 8.031 1.00 0.00 N ATOM 222 CA GLY A 16 7.904 3.698 6.551 1.00 0.00 C ATOM 223 C GLY A 16 6.422 3.779 6.181 1.00 0.00 C ATOM 224 O GLY A 16 6.061 4.258 5.125 1.00 0.00 O ATOM 0 H GLY A 16 7.673 4.655 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.456 4.498 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.326 2.757 6.199 1.00 0.00 H new ATOM 228 N GLU A 17 5.561 3.309 7.041 1.00 0.00 N ATOM 229 CA GLU A 17 4.101 3.355 6.738 1.00 0.00 C ATOM 230 C GLU A 17 3.674 4.777 6.349 1.00 0.00 C ATOM 231 O GLU A 17 4.415 5.727 6.511 1.00 0.00 O ATOM 232 CB GLU A 17 3.407 2.893 8.035 1.00 0.00 C ATOM 233 CG GLU A 17 3.367 4.026 9.073 1.00 0.00 C ATOM 234 CD GLU A 17 4.791 4.447 9.438 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.597 3.571 9.705 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.053 5.638 9.444 1.00 0.00 O ATOM 0 H GLU A 17 5.804 2.895 7.941 1.00 0.00 H new ATOM 0 HA GLU A 17 3.834 2.719 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.392 2.564 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.936 2.035 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.818 4.878 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.836 3.695 9.966 1.00 0.00 H new ATOM 243 N ILE A 18 2.481 4.928 5.842 1.00 0.00 N ATOM 244 CA ILE A 18 2.001 6.283 5.449 1.00 0.00 C ATOM 245 C ILE A 18 0.693 6.605 6.184 1.00 0.00 C ATOM 246 O ILE A 18 -0.348 6.080 5.842 1.00 0.00 O ATOM 247 CB ILE A 18 1.763 6.196 3.942 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.053 5.756 3.246 1.00 0.00 C ATOM 249 CG2 ILE A 18 1.343 7.568 3.411 1.00 0.00 C ATOM 250 CD1 ILE A 18 2.832 4.401 2.568 1.00 0.00 C ATOM 0 H ILE A 18 1.817 4.170 5.683 1.00 0.00 H new ATOM 0 HA ILE A 18 2.713 7.068 5.702 1.00 0.00 H new ATOM 0 HB ILE A 18 0.975 5.471 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.352 6.500 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.863 5.684 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.173 7.506 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.425 7.884 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.132 8.293 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.751 4.088 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.553 3.660 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.034 4.489 1.831 1.00 0.00 H new ATOM 262 N PRO A 19 0.784 7.457 7.178 1.00 0.00 N ATOM 263 CA PRO A 19 -0.420 7.835 7.962 1.00 0.00 C ATOM 264 C PRO A 19 -1.356 8.713 7.129 1.00 0.00 C ATOM 265 O PRO A 19 -0.924 9.584 6.401 1.00 0.00 O ATOM 266 CB PRO A 19 0.150 8.613 9.146 1.00 0.00 C ATOM 267 CG PRO A 19 1.466 9.135 8.666 1.00 0.00 C ATOM 268 CD PRO A 19 1.991 8.143 7.662 1.00 0.00 C ATOM 0 HA PRO A 19 -1.014 6.974 8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.514 9.426 9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.274 7.971 10.018 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.349 10.119 8.212 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.162 9.249 9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.521 8.640 6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.691 7.444 8.119 1.00 0.00 H new ATOM 276 N ALA A 20 -2.638 8.489 7.235 1.00 0.00 N ATOM 277 CA ALA A 20 -3.607 9.310 6.452 1.00 0.00 C ATOM 278 C ALA A 20 -3.642 10.747 6.988 1.00 0.00 C ATOM 279 O ALA A 20 -3.020 11.047 7.988 1.00 0.00 O ATOM 280 CB ALA A 20 -4.959 8.629 6.658 1.00 0.00 C ATOM 0 H ALA A 20 -3.056 7.774 7.829 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.337 9.372 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.728 9.175 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.910 7.604 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.204 8.621 7.720 1.00 0.00 H new ATOM 286 N PRO A 21 -4.374 11.595 6.303 1.00 0.00 N ATOM 287 CA PRO A 21 -4.485 13.012 6.728 1.00 0.00 C ATOM 288 C PRO A 21 -5.385 13.130 7.961 1.00 0.00 C ATOM 289 O PRO A 21 -5.006 13.696 8.966 1.00 0.00 O ATOM 290 CB PRO A 21 -5.123 13.700 5.523 1.00 0.00 C ATOM 291 CG PRO A 21 -5.868 12.619 4.806 1.00 0.00 C ATOM 292 CD PRO A 21 -5.156 11.320 5.089 1.00 0.00 C ATOM 0 HA PRO A 21 -3.527 13.452 7.006 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.794 14.500 5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.367 14.151 4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.902 12.573 5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.895 12.817 3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.862 10.505 5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.513 11.029 4.258 1.00 0.00 H new ATOM 300 N LEU A 22 -6.574 12.599 7.890 1.00 0.00 N ATOM 301 CA LEU A 22 -7.497 12.680 9.058 1.00 0.00 C ATOM 302 C LEU A 22 -8.457 11.489 9.056 1.00 0.00 C ATOM 303 O LEU A 22 -8.634 10.821 10.056 1.00 0.00 O ATOM 304 CB LEU A 22 -8.264 13.989 8.866 1.00 0.00 C ATOM 305 CG LEU A 22 -7.678 15.061 9.785 1.00 0.00 C ATOM 306 CD1 LEU A 22 -8.378 16.396 9.524 1.00 0.00 C ATOM 307 CD2 LEU A 22 -7.888 14.651 11.244 1.00 0.00 C ATOM 0 H LEU A 22 -6.947 12.113 7.075 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.964 12.656 10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.201 14.311 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.320 13.840 9.090 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.611 15.166 9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.960 17.160 10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.229 16.688 8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.445 16.292 9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.471 15.415 11.900 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.955 14.546 11.442 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.389 13.700 11.430 1.00 0.00 H new ATOM 319 N ALA A 23 -9.080 11.217 7.942 1.00 0.00 N ATOM 320 CA ALA A 23 -10.028 10.068 7.879 1.00 0.00 C ATOM 321 C ALA A 23 -10.539 9.885 6.447 1.00 0.00 C ATOM 322 O ALA A 23 -10.201 10.642 5.557 1.00 0.00 O ATOM 323 CB ALA A 23 -11.177 10.451 8.812 1.00 0.00 C ATOM 0 H ALA A 23 -8.974 11.740 7.073 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.560 9.129 8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.920 9.653 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.792 10.600 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.639 11.373 8.460 1.00 0.00 H new ATOM 329 N GLY A 24 -11.349 8.889 6.218 1.00 0.00 N ATOM 330 CA GLY A 24 -11.880 8.665 4.844 1.00 0.00 C ATOM 331 C GLY A 24 -12.749 7.406 4.827 1.00 0.00 C ATOM 332 O GLY A 24 -13.057 6.840 5.856 1.00 0.00 O ATOM 0 H GLY A 24 -11.666 8.222 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.465 9.527 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.056 8.560 4.138 1.00 0.00 H new ATOM 336 N THR A 25 -13.147 6.965 3.665 1.00 0.00 N ATOM 337 CA THR A 25 -13.997 5.742 3.581 1.00 0.00 C ATOM 338 C THR A 25 -13.377 4.729 2.615 1.00 0.00 C ATOM 339 O THR A 25 -13.433 4.891 1.412 1.00 0.00 O ATOM 340 CB THR A 25 -15.343 6.235 3.046 1.00 0.00 C ATOM 341 OG1 THR A 25 -15.625 7.517 3.590 1.00 0.00 O ATOM 342 CG2 THR A 25 -16.446 5.255 3.445 1.00 0.00 C ATOM 0 H THR A 25 -12.921 7.398 2.770 1.00 0.00 H new ATOM 0 HA THR A 25 -14.096 5.241 4.544 1.00 0.00 H new ATOM 0 HB THR A 25 -15.299 6.302 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.230 8.209 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.403 5.609 3.062 1.00 0.00 H new ATOM 0 HG22 THR A 25 -16.229 4.272 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 25 -16.494 5.184 4.532 1.00 0.00 H new ATOM 350 N VAL A 26 -12.784 3.688 3.129 1.00 0.00 N ATOM 351 CA VAL A 26 -12.162 2.669 2.236 1.00 0.00 C ATOM 352 C VAL A 26 -13.198 2.132 1.245 1.00 0.00 C ATOM 353 O VAL A 26 -14.386 2.163 1.495 1.00 0.00 O ATOM 354 CB VAL A 26 -11.689 1.553 3.166 1.00 0.00 C ATOM 355 CG1 VAL A 26 -11.033 0.445 2.339 1.00 0.00 C ATOM 356 CG2 VAL A 26 -10.673 2.113 4.162 1.00 0.00 C ATOM 0 H VAL A 26 -12.703 3.498 4.128 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.342 3.085 1.650 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.543 1.147 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.695 -0.352 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.756 0.044 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.180 0.852 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.336 1.316 4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.819 2.520 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.139 2.903 4.751 1.00 0.00 H new ATOM 366 N SER A 27 -12.754 1.636 0.124 1.00 0.00 N ATOM 367 CA SER A 27 -13.709 1.092 -0.882 1.00 0.00 C ATOM 368 C SER A 27 -13.288 -0.322 -1.287 1.00 0.00 C ATOM 369 O SER A 27 -14.108 -1.206 -1.444 1.00 0.00 O ATOM 370 CB SER A 27 -13.614 2.043 -2.075 1.00 0.00 C ATOM 371 OG SER A 27 -14.416 3.189 -1.827 1.00 0.00 O ATOM 0 H SER A 27 -11.770 1.584 -0.140 1.00 0.00 H new ATOM 0 HA SER A 27 -14.727 1.026 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.577 2.339 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.948 1.541 -2.983 1.00 0.00 H new ATOM 0 HG SER A 27 -14.356 3.802 -2.590 1.00 0.00 H new ATOM 377 N LYS A 28 -12.013 -0.543 -1.454 1.00 0.00 N ATOM 378 CA LYS A 28 -11.533 -1.899 -1.846 1.00 0.00 C ATOM 379 C LYS A 28 -10.003 -1.938 -1.832 1.00 0.00 C ATOM 380 O LYS A 28 -9.345 -1.051 -2.340 1.00 0.00 O ATOM 381 CB LYS A 28 -12.066 -2.117 -3.261 1.00 0.00 C ATOM 382 CG LYS A 28 -12.643 -3.529 -3.377 1.00 0.00 C ATOM 383 CD LYS A 28 -13.487 -3.636 -4.650 1.00 0.00 C ATOM 384 CE LYS A 28 -14.835 -2.947 -4.427 1.00 0.00 C ATOM 385 NZ LYS A 28 -15.242 -2.451 -5.772 1.00 0.00 N ATOM 0 H LYS A 28 -11.281 0.158 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.877 -2.675 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.835 -1.379 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.266 -1.979 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.836 -4.262 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.254 -3.756 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.964 -3.173 -5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.640 -4.683 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.571 -3.642 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.746 -2.127 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.159 -1.966 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.526 -1.786 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.326 -3.254 -6.428 1.00 0.00 H new ATOM 399 N ILE A 29 -9.430 -2.957 -1.253 1.00 0.00 N ATOM 400 CA ILE A 29 -7.943 -3.049 -1.204 1.00 0.00 C ATOM 401 C ILE A 29 -7.431 -3.968 -2.316 1.00 0.00 C ATOM 402 O ILE A 29 -8.112 -4.882 -2.742 1.00 0.00 O ATOM 403 CB ILE A 29 -7.630 -3.641 0.169 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.116 -3.804 0.321 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.303 -5.008 0.302 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.784 -4.150 1.774 1.00 0.00 C ATOM 0 H ILE A 29 -9.927 -3.730 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.464 -2.081 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.005 -2.974 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.756 -4.590 -0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.609 -2.884 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.079 -5.430 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.382 -4.895 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.928 -5.675 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.706 -4.266 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.130 -3.349 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.279 -5.082 2.048 1.00 0.00 H new ATOM 418 N LEU A 30 -6.239 -3.734 -2.791 1.00 0.00 N ATOM 419 CA LEU A 30 -5.685 -4.594 -3.876 1.00 0.00 C ATOM 420 C LEU A 30 -4.604 -5.524 -3.318 1.00 0.00 C ATOM 421 O LEU A 30 -4.704 -6.731 -3.410 1.00 0.00 O ATOM 422 CB LEU A 30 -5.081 -3.617 -4.886 1.00 0.00 C ATOM 423 CG LEU A 30 -6.117 -3.288 -5.962 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.512 -4.570 -6.698 1.00 0.00 C ATOM 425 CD2 LEU A 30 -7.355 -2.673 -5.306 1.00 0.00 C ATOM 0 H LEU A 30 -5.624 -2.984 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.447 -5.229 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.764 -2.705 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.193 -4.053 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.692 -2.578 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.250 -4.336 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.630 -5.008 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.938 -5.280 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.094 -2.438 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.781 -3.382 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.073 -1.760 -4.782 1.00 0.00 H new ATOM 437 N VAL A 31 -3.571 -4.972 -2.743 1.00 0.00 N ATOM 438 CA VAL A 31 -2.487 -5.829 -2.184 1.00 0.00 C ATOM 439 C VAL A 31 -2.983 -6.560 -0.933 1.00 0.00 C ATOM 440 O VAL A 31 -3.843 -6.081 -0.221 1.00 0.00 O ATOM 441 CB VAL A 31 -1.359 -4.862 -1.827 1.00 0.00 C ATOM 442 CG1 VAL A 31 -0.201 -5.639 -1.198 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.871 -4.159 -3.096 1.00 0.00 C ATOM 0 H VAL A 31 -3.431 -3.967 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.160 -6.592 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.726 -4.120 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.604 -4.950 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.548 -6.141 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.167 -6.380 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.066 -3.469 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.503 -4.901 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.696 -3.606 -3.545 1.00 0.00 H new ATOM 453 N LYS A 32 -2.446 -7.718 -0.664 1.00 0.00 N ATOM 454 CA LYS A 32 -2.884 -8.483 0.539 1.00 0.00 C ATOM 455 C LYS A 32 -1.705 -8.671 1.497 1.00 0.00 C ATOM 456 O LYS A 32 -1.508 -9.735 2.048 1.00 0.00 O ATOM 457 CB LYS A 32 -3.355 -9.833 -0.003 1.00 0.00 C ATOM 458 CG LYS A 32 -4.874 -9.808 -0.186 1.00 0.00 C ATOM 459 CD LYS A 32 -5.243 -10.498 -1.500 1.00 0.00 C ATOM 460 CE LYS A 32 -6.066 -9.542 -2.366 1.00 0.00 C ATOM 461 NZ LYS A 32 -6.643 -10.396 -3.441 1.00 0.00 N ATOM 0 H LYS A 32 -1.723 -8.168 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.669 -7.971 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.867 -10.045 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.074 -10.631 0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.360 -10.312 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.233 -8.779 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.340 -10.800 -2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.813 -11.405 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.850 -9.057 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.443 -8.751 -2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.222 -9.810 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.874 -10.839 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.237 -11.136 -3.015 1.00 0.00 H new ATOM 475 N GLU A 33 -0.921 -7.639 1.693 1.00 0.00 N ATOM 476 CA GLU A 33 0.259 -7.730 2.609 1.00 0.00 C ATOM 477 C GLU A 33 1.233 -8.810 2.131 1.00 0.00 C ATOM 478 O GLU A 33 0.843 -9.824 1.589 1.00 0.00 O ATOM 479 CB GLU A 33 -0.308 -8.087 3.987 1.00 0.00 C ATOM 480 CG GLU A 33 0.830 -8.121 5.009 1.00 0.00 C ATOM 481 CD GLU A 33 1.413 -9.534 5.079 1.00 0.00 C ATOM 482 OE1 GLU A 33 0.712 -10.462 4.710 1.00 0.00 O ATOM 483 OE2 GLU A 33 2.550 -9.665 5.502 1.00 0.00 O ATOM 0 H GLU A 33 -1.050 -6.728 1.253 1.00 0.00 H new ATOM 0 HA GLU A 33 0.816 -6.794 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.058 -7.354 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.806 -9.056 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.606 -7.410 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.461 -7.820 5.989 1.00 0.00 H new ATOM 490 N GLY A 34 2.505 -8.593 2.323 1.00 0.00 N ATOM 491 CA GLY A 34 3.508 -9.600 1.876 1.00 0.00 C ATOM 492 C GLY A 34 3.472 -9.713 0.350 1.00 0.00 C ATOM 493 O GLY A 34 3.915 -10.691 -0.219 1.00 0.00 O ATOM 0 H GLY A 34 2.893 -7.762 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.505 -9.308 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.294 -10.568 2.328 1.00 0.00 H new ATOM 497 N ASP A 35 2.951 -8.719 -0.317 1.00 0.00 N ATOM 498 CA ASP A 35 2.891 -8.769 -1.805 1.00 0.00 C ATOM 499 C ASP A 35 3.765 -7.665 -2.400 1.00 0.00 C ATOM 500 O ASP A 35 3.756 -6.539 -1.943 1.00 0.00 O ATOM 501 CB ASP A 35 1.421 -8.534 -2.150 1.00 0.00 C ATOM 502 CG ASP A 35 0.845 -9.785 -2.814 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.679 -10.776 -2.122 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.580 -9.732 -4.003 1.00 0.00 O ATOM 0 H ASP A 35 2.564 -7.875 0.105 1.00 0.00 H new ATOM 0 HA ASP A 35 3.255 -9.716 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.858 -8.297 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.326 -7.678 -2.819 1.00 0.00 H new ATOM 509 N THR A 36 4.520 -7.976 -3.415 1.00 0.00 N ATOM 510 CA THR A 36 5.392 -6.940 -4.036 1.00 0.00 C ATOM 511 C THR A 36 4.541 -5.934 -4.815 1.00 0.00 C ATOM 512 O THR A 36 3.417 -6.211 -5.184 1.00 0.00 O ATOM 513 CB THR A 36 6.314 -7.713 -4.980 1.00 0.00 C ATOM 514 OG1 THR A 36 6.647 -8.964 -4.395 1.00 0.00 O ATOM 515 CG2 THR A 36 7.590 -6.905 -5.223 1.00 0.00 C ATOM 0 H THR A 36 4.572 -8.901 -3.842 1.00 0.00 H new ATOM 0 HA THR A 36 5.954 -6.372 -3.295 1.00 0.00 H new ATOM 0 HB THR A 36 5.806 -7.880 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.236 -9.461 -5.000 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.247 -7.456 -5.896 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.333 -5.946 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.100 -6.737 -4.275 1.00 0.00 H new ATOM 523 N VAL A 37 5.068 -4.769 -5.069 1.00 0.00 N ATOM 524 CA VAL A 37 4.288 -3.747 -5.824 1.00 0.00 C ATOM 525 C VAL A 37 5.225 -2.895 -6.683 1.00 0.00 C ATOM 526 O VAL A 37 6.427 -2.904 -6.507 1.00 0.00 O ATOM 527 CB VAL A 37 3.619 -2.889 -4.750 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.693 -2.237 -3.877 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.774 -1.801 -5.418 1.00 0.00 C ATOM 0 H VAL A 37 6.005 -4.480 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 37 3.561 -4.198 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 37 2.978 -3.517 -4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.217 -1.625 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.294 -3.011 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.334 -1.609 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.297 -1.189 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.414 -1.173 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.009 -2.265 -6.040 1.00 0.00 H new ATOM 539 N LYS A 38 4.683 -2.157 -7.612 1.00 0.00 N ATOM 540 CA LYS A 38 5.540 -1.303 -8.481 1.00 0.00 C ATOM 541 C LYS A 38 5.103 0.161 -8.376 1.00 0.00 C ATOM 542 O LYS A 38 4.146 0.484 -7.698 1.00 0.00 O ATOM 543 CB LYS A 38 5.318 -1.831 -9.900 1.00 0.00 C ATOM 544 CG LYS A 38 6.190 -3.069 -10.126 1.00 0.00 C ATOM 545 CD LYS A 38 5.581 -3.931 -11.234 1.00 0.00 C ATOM 546 CE LYS A 38 6.482 -3.887 -12.470 1.00 0.00 C ATOM 547 NZ LYS A 38 7.262 -5.155 -12.422 1.00 0.00 N ATOM 0 H LYS A 38 3.683 -2.109 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 38 6.591 -1.342 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.267 -2.081 -10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.566 -1.060 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.201 -2.769 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.267 -3.645 -9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.469 -4.959 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.584 -3.568 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.894 -3.820 -13.385 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.139 -3.018 -12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.904 -5.199 -13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.817 -5.188 -11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.610 -5.965 -12.451 1.00 0.00 H new ATOM 561 N ALA A 39 5.795 1.048 -9.036 1.00 0.00 N ATOM 562 CA ALA A 39 5.414 2.488 -8.970 1.00 0.00 C ATOM 563 C ALA A 39 4.165 2.745 -9.818 1.00 0.00 C ATOM 564 O ALA A 39 4.227 2.809 -11.029 1.00 0.00 O ATOM 565 CB ALA A 39 6.615 3.240 -9.544 1.00 0.00 C ATOM 0 H ALA A 39 6.607 0.839 -9.617 1.00 0.00 H new ATOM 0 HA ALA A 39 5.179 2.807 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.414 4.311 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.498 3.029 -8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.790 2.917 -10.570 1.00 0.00 H new ATOM 571 N GLY A 40 3.031 2.891 -9.190 1.00 0.00 N ATOM 572 CA GLY A 40 1.780 3.143 -9.960 1.00 0.00 C ATOM 573 C GLY A 40 0.763 2.034 -9.674 1.00 0.00 C ATOM 574 O GLY A 40 -0.419 2.191 -9.904 1.00 0.00 O ATOM 0 H GLY A 40 2.916 2.847 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.362 4.112 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.000 3.181 -11.027 1.00 0.00 H new ATOM 578 N GLN A 41 1.211 0.912 -9.175 1.00 0.00 N ATOM 579 CA GLN A 41 0.264 -0.201 -8.879 1.00 0.00 C ATOM 580 C GLN A 41 -0.736 0.225 -7.799 1.00 0.00 C ATOM 581 O GLN A 41 -0.379 0.436 -6.657 1.00 0.00 O ATOM 582 CB GLN A 41 1.145 -1.346 -8.374 1.00 0.00 C ATOM 583 CG GLN A 41 1.223 -2.438 -9.444 1.00 0.00 C ATOM 584 CD GLN A 41 1.494 -3.788 -8.778 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.235 -3.962 -7.605 1.00 0.00 O ATOM 586 NE2 GLN A 41 2.011 -4.758 -9.483 1.00 0.00 N ATOM 0 H GLN A 41 2.189 0.719 -8.960 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.319 -0.490 -9.753 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.144 -0.976 -8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.735 -1.755 -7.451 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.290 -2.479 -10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.014 -2.207 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.229 -4.612 -10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.197 -5.662 -9.048 1.00 0.00 H new ATOM 595 N THR A 42 -1.985 0.354 -8.154 1.00 0.00 N ATOM 596 CA THR A 42 -3.011 0.768 -7.152 1.00 0.00 C ATOM 597 C THR A 42 -2.939 -0.130 -5.914 1.00 0.00 C ATOM 598 O THR A 42 -3.520 -1.197 -5.873 1.00 0.00 O ATOM 599 CB THR A 42 -4.351 0.589 -7.867 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.373 1.397 -9.035 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.490 1.005 -6.934 1.00 0.00 C ATOM 0 H THR A 42 -2.341 0.191 -9.096 1.00 0.00 H new ATOM 0 HA THR A 42 -2.863 1.791 -6.807 1.00 0.00 H new ATOM 0 HB THR A 42 -4.478 -0.457 -8.146 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.230 1.283 -9.496 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.444 0.877 -7.445 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.472 0.384 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.367 2.051 -6.653 1.00 0.00 H new ATOM 609 N VAL A 43 -2.237 0.299 -4.901 1.00 0.00 N ATOM 610 CA VAL A 43 -2.135 -0.526 -3.665 1.00 0.00 C ATOM 611 C VAL A 43 -3.532 -0.797 -3.105 1.00 0.00 C ATOM 612 O VAL A 43 -3.815 -1.869 -2.609 1.00 0.00 O ATOM 613 CB VAL A 43 -1.317 0.318 -2.688 1.00 0.00 C ATOM 614 CG1 VAL A 43 -1.144 -0.445 -1.373 1.00 0.00 C ATOM 615 CG2 VAL A 43 0.058 0.608 -3.292 1.00 0.00 C ATOM 0 H VAL A 43 -1.730 1.184 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.669 -1.494 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.837 1.257 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.561 0.157 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.123 -0.652 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.625 -1.384 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.642 1.210 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.577 -0.331 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.063 1.152 -4.228 1.00 0.00 H new ATOM 625 N LEU A 44 -4.409 0.167 -3.184 1.00 0.00 N ATOM 626 CA LEU A 44 -5.791 -0.045 -2.658 1.00 0.00 C ATOM 627 C LEU A 44 -6.725 1.072 -3.133 1.00 0.00 C ATOM 628 O LEU A 44 -6.450 1.754 -4.100 1.00 0.00 O ATOM 629 CB LEU A 44 -5.649 -0.016 -1.136 1.00 0.00 C ATOM 630 CG LEU A 44 -5.093 1.340 -0.699 1.00 0.00 C ATOM 631 CD1 LEU A 44 -6.053 1.984 0.304 1.00 0.00 C ATOM 632 CD2 LEU A 44 -3.725 1.142 -0.043 1.00 0.00 C ATOM 0 H LEU A 44 -4.232 1.087 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.221 -0.983 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.617 -0.192 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.985 -0.816 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.988 1.989 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.658 2.951 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.028 2.124 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.158 1.336 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.328 2.108 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.829 0.494 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.042 0.682 -0.757 1.00 0.00 H new ATOM 644 N VAL A 45 -7.829 1.260 -2.461 1.00 0.00 N ATOM 645 CA VAL A 45 -8.782 2.329 -2.875 1.00 0.00 C ATOM 646 C VAL A 45 -9.408 2.985 -1.640 1.00 0.00 C ATOM 647 O VAL A 45 -9.606 2.352 -0.622 1.00 0.00 O ATOM 648 CB VAL A 45 -9.851 1.608 -3.699 1.00 0.00 C ATOM 649 CG1 VAL A 45 -10.823 2.635 -4.284 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.185 0.830 -4.835 1.00 0.00 C ATOM 0 H VAL A 45 -8.112 0.719 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.294 3.121 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.396 0.915 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.585 2.122 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.300 3.187 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.278 3.329 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.948 0.317 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.638 1.520 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.494 0.097 -4.418 1.00 0.00 H new ATOM 660 N LEU A 46 -9.723 4.249 -1.724 1.00 0.00 N ATOM 661 CA LEU A 46 -10.337 4.945 -0.555 1.00 0.00 C ATOM 662 C LEU A 46 -11.254 6.071 -1.037 1.00 0.00 C ATOM 663 O LEU A 46 -11.317 6.373 -2.213 1.00 0.00 O ATOM 664 CB LEU A 46 -9.158 5.512 0.235 1.00 0.00 C ATOM 665 CG LEU A 46 -9.241 5.041 1.687 1.00 0.00 C ATOM 666 CD1 LEU A 46 -8.529 3.695 1.827 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.569 6.072 2.596 1.00 0.00 C ATOM 0 H LEU A 46 -9.582 4.830 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.947 4.276 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.218 5.186 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.170 6.601 0.194 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.286 4.930 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.588 3.358 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.008 2.961 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.483 3.805 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.628 5.737 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.523 6.183 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.077 7.031 2.496 1.00 0.00 H new ATOM 679 N GLU A 47 -11.966 6.696 -0.139 1.00 0.00 N ATOM 680 CA GLU A 47 -12.876 7.801 -0.553 1.00 0.00 C ATOM 681 C GLU A 47 -13.250 8.666 0.654 1.00 0.00 C ATOM 682 O GLU A 47 -14.115 8.320 1.433 1.00 0.00 O ATOM 683 CB GLU A 47 -14.114 7.104 -1.117 1.00 0.00 C ATOM 684 CG GLU A 47 -14.396 7.627 -2.527 1.00 0.00 C ATOM 685 CD GLU A 47 -15.709 7.032 -3.038 1.00 0.00 C ATOM 686 OE1 GLU A 47 -16.686 7.091 -2.310 1.00 0.00 O ATOM 687 OE2 GLU A 47 -15.715 6.527 -4.149 1.00 0.00 O ATOM 0 H GLU A 47 -11.957 6.490 0.860 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.411 8.464 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.958 6.026 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.973 7.286 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.457 8.715 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.578 7.359 -3.196 1.00 0.00 H new ATOM 694 N ALA A 48 -12.609 9.792 0.808 1.00 0.00 N ATOM 695 CA ALA A 48 -12.932 10.681 1.962 1.00 0.00 C ATOM 696 C ALA A 48 -13.443 12.028 1.450 1.00 0.00 C ATOM 697 O ALA A 48 -14.493 12.497 1.843 1.00 0.00 O ATOM 698 CB ALA A 48 -11.610 10.858 2.710 1.00 0.00 C ATOM 0 H ALA A 48 -11.877 10.135 0.186 1.00 0.00 H new ATOM 0 HA ALA A 48 -13.707 10.265 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.765 11.502 3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.247 9.885 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.875 11.313 2.046 1.00 0.00 H new ATOM 704 N MET A 49 -12.709 12.651 0.570 1.00 0.00 N ATOM 705 CA MET A 49 -13.147 13.965 0.023 1.00 0.00 C ATOM 706 C MET A 49 -12.625 14.130 -1.406 1.00 0.00 C ATOM 707 O MET A 49 -12.040 15.137 -1.753 1.00 0.00 O ATOM 708 CB MET A 49 -12.525 15.009 0.950 1.00 0.00 C ATOM 709 CG MET A 49 -13.635 15.757 1.690 1.00 0.00 C ATOM 710 SD MET A 49 -13.200 17.507 1.823 1.00 0.00 S ATOM 711 CE MET A 49 -14.272 18.107 0.494 1.00 0.00 C ATOM 0 H MET A 49 -11.822 12.305 0.205 1.00 0.00 H new ATOM 0 HA MET A 49 -14.232 14.060 -0.019 1.00 0.00 H new ATOM 0 HB2 MET A 49 -11.858 14.526 1.664 1.00 0.00 H new ATOM 0 HB3 MET A 49 -11.921 15.710 0.373 1.00 0.00 H new ATOM 0 HG2 MET A 49 -14.580 15.646 1.158 1.00 0.00 H new ATOM 0 HG3 MET A 49 -13.776 15.330 2.683 1.00 0.00 H new ATOM 0 HE1 MET A 49 -14.162 19.187 0.398 1.00 0.00 H new ATOM 0 HE2 MET A 49 -13.991 17.628 -0.444 1.00 0.00 H new ATOM 0 HE3 MET A 49 -15.309 17.867 0.727 1.00 0.00 H new ATOM 721 N LYS A 50 -12.830 13.142 -2.236 1.00 0.00 N ATOM 722 CA LYS A 50 -12.342 13.230 -3.644 1.00 0.00 C ATOM 723 C LYS A 50 -10.834 13.491 -3.660 1.00 0.00 C ATOM 724 O LYS A 50 -10.353 14.370 -4.348 1.00 0.00 O ATOM 725 CB LYS A 50 -13.098 14.408 -4.262 1.00 0.00 C ATOM 726 CG LYS A 50 -13.571 14.029 -5.668 1.00 0.00 C ATOM 727 CD LYS A 50 -14.963 13.400 -5.586 1.00 0.00 C ATOM 728 CE LYS A 50 -14.934 12.010 -6.225 1.00 0.00 C ATOM 729 NZ LYS A 50 -16.207 11.364 -5.802 1.00 0.00 N ATOM 0 H LYS A 50 -13.315 12.276 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.514 12.307 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.952 14.673 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.452 15.285 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.597 14.913 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.870 13.329 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.280 13.327 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.690 14.032 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.867 12.076 -7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.070 11.438 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.260 10.405 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.240 11.308 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.012 11.926 -6.144 1.00 0.00 H new ATOM 743 N MET A 51 -10.084 12.734 -2.904 1.00 0.00 N ATOM 744 CA MET A 51 -8.607 12.940 -2.875 1.00 0.00 C ATOM 745 C MET A 51 -7.893 11.629 -2.532 1.00 0.00 C ATOM 746 O MET A 51 -6.809 11.629 -1.983 1.00 0.00 O ATOM 747 CB MET A 51 -8.375 13.978 -1.776 1.00 0.00 C ATOM 748 CG MET A 51 -6.998 14.619 -1.961 1.00 0.00 C ATOM 749 SD MET A 51 -6.407 15.250 -0.369 1.00 0.00 S ATOM 750 CE MET A 51 -7.509 16.682 -0.268 1.00 0.00 C ATOM 0 H MET A 51 -10.430 11.983 -2.306 1.00 0.00 H new ATOM 0 HA MET A 51 -8.218 13.269 -3.839 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.151 14.742 -1.813 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.439 13.506 -0.796 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.295 13.887 -2.358 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.057 15.430 -2.687 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.242 17.286 0.599 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.410 17.282 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.540 16.342 -0.170 1.00 0.00 H new ATOM 760 N GLU A 52 -8.490 10.512 -2.848 1.00 0.00 N ATOM 761 CA GLU A 52 -7.838 9.207 -2.537 1.00 0.00 C ATOM 762 C GLU A 52 -8.109 8.194 -3.653 1.00 0.00 C ATOM 763 O GLU A 52 -7.287 7.981 -4.522 1.00 0.00 O ATOM 764 CB GLU A 52 -8.476 8.748 -1.226 1.00 0.00 C ATOM 765 CG GLU A 52 -7.448 8.840 -0.097 1.00 0.00 C ATOM 766 CD GLU A 52 -7.316 10.295 0.356 1.00 0.00 C ATOM 767 OE1 GLU A 52 -8.336 10.898 0.648 1.00 0.00 O ATOM 768 OE2 GLU A 52 -6.199 10.781 0.404 1.00 0.00 O ATOM 0 H GLU A 52 -9.399 10.446 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.755 9.298 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.342 9.368 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.834 7.723 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.755 8.214 0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.483 8.465 -0.438 1.00 0.00 H new ATOM 775 N THR A 53 -9.254 7.567 -3.638 1.00 0.00 N ATOM 776 CA THR A 53 -9.572 6.567 -4.699 1.00 0.00 C ATOM 777 C THR A 53 -8.440 5.542 -4.818 1.00 0.00 C ATOM 778 O THR A 53 -7.732 5.273 -3.868 1.00 0.00 O ATOM 779 CB THR A 53 -9.700 7.376 -5.995 1.00 0.00 C ATOM 780 OG1 THR A 53 -10.111 8.704 -5.692 1.00 0.00 O ATOM 781 CG2 THR A 53 -10.736 6.719 -6.908 1.00 0.00 C ATOM 0 H THR A 53 -9.983 7.703 -2.938 1.00 0.00 H new ATOM 0 HA THR A 53 -10.484 6.012 -4.477 1.00 0.00 H new ATOM 0 HB THR A 53 -8.734 7.402 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.190 9.219 -6.522 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.826 7.295 -7.829 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.420 5.703 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.701 6.690 -6.402 1.00 0.00 H new ATOM 789 N GLU A 54 -8.265 4.968 -5.977 1.00 0.00 N ATOM 790 CA GLU A 54 -7.179 3.962 -6.156 1.00 0.00 C ATOM 791 C GLU A 54 -5.833 4.554 -5.726 1.00 0.00 C ATOM 792 O GLU A 54 -5.291 5.423 -6.379 1.00 0.00 O ATOM 793 CB GLU A 54 -7.171 3.649 -7.652 1.00 0.00 C ATOM 794 CG GLU A 54 -8.325 2.699 -7.982 1.00 0.00 C ATOM 795 CD GLU A 54 -9.244 3.351 -9.016 1.00 0.00 C ATOM 796 OE1 GLU A 54 -8.978 3.199 -10.197 1.00 0.00 O ATOM 797 OE2 GLU A 54 -10.199 3.993 -8.609 1.00 0.00 O ATOM 0 H GLU A 54 -8.827 5.152 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.341 3.069 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.268 4.570 -8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.221 3.196 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.935 1.757 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.886 2.464 -7.078 1.00 0.00 H new ATOM 804 N ILE A 55 -5.290 4.091 -4.632 1.00 0.00 N ATOM 805 CA ILE A 55 -3.980 4.633 -4.168 1.00 0.00 C ATOM 806 C ILE A 55 -2.828 3.840 -4.792 1.00 0.00 C ATOM 807 O ILE A 55 -2.523 2.739 -4.374 1.00 0.00 O ATOM 808 CB ILE A 55 -3.992 4.462 -2.649 1.00 0.00 C ATOM 809 CG1 ILE A 55 -5.237 5.140 -2.068 1.00 0.00 C ATOM 810 CG2 ILE A 55 -2.739 5.106 -2.052 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.243 4.981 -0.547 1.00 0.00 C ATOM 0 H ILE A 55 -5.695 3.364 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.840 5.675 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.007 3.400 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.246 6.197 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.137 4.697 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.748 4.984 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.852 4.626 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.724 6.168 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.129 5.464 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.255 3.921 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.349 5.445 -0.129 1.00 0.00 H new ATOM 823 N ASN A 56 -2.197 4.397 -5.794 1.00 0.00 N ATOM 824 CA ASN A 56 -1.063 3.697 -6.467 1.00 0.00 C ATOM 825 C ASN A 56 0.201 3.761 -5.612 1.00 0.00 C ATOM 826 O ASN A 56 0.528 4.778 -5.035 1.00 0.00 O ATOM 827 CB ASN A 56 -0.855 4.455 -7.778 1.00 0.00 C ATOM 828 CG ASN A 56 -0.545 5.922 -7.478 1.00 0.00 C ATOM 829 OD1 ASN A 56 -1.376 6.634 -6.947 1.00 0.00 O ATOM 830 ND2 ASN A 56 0.623 6.408 -7.795 1.00 0.00 N ATOM 0 H ASN A 56 -2.422 5.315 -6.178 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.277 2.640 -6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.037 4.008 -8.343 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.748 4.381 -8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.839 7.385 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.320 5.811 -8.240 1.00 0.00 H new ATOM 837 N ALA A 57 0.915 2.675 -5.539 1.00 0.00 N ATOM 838 CA ALA A 57 2.169 2.661 -4.732 1.00 0.00 C ATOM 839 C ALA A 57 3.092 3.801 -5.182 1.00 0.00 C ATOM 840 O ALA A 57 3.118 4.147 -6.346 1.00 0.00 O ATOM 841 CB ALA A 57 2.811 1.303 -5.020 1.00 0.00 C ATOM 0 H ALA A 57 0.687 1.795 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 57 1.981 2.802 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.743 1.215 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.130 0.507 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.019 1.218 -6.087 1.00 0.00 H new ATOM 847 N PRO A 58 3.817 4.358 -4.244 1.00 0.00 N ATOM 848 CA PRO A 58 4.740 5.475 -4.565 1.00 0.00 C ATOM 849 C PRO A 58 5.965 4.961 -5.326 1.00 0.00 C ATOM 850 O PRO A 58 6.473 5.614 -6.217 1.00 0.00 O ATOM 851 CB PRO A 58 5.136 6.021 -3.197 1.00 0.00 C ATOM 852 CG PRO A 58 4.945 4.878 -2.251 1.00 0.00 C ATOM 853 CD PRO A 58 3.851 4.010 -2.816 1.00 0.00 C ATOM 0 HA PRO A 58 4.286 6.232 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.170 6.366 -3.195 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.515 6.872 -2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.869 4.310 -2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.675 5.241 -1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.066 2.952 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.894 4.211 -2.334 1.00 0.00 H new ATOM 861 N THR A 59 6.447 3.798 -4.983 1.00 0.00 N ATOM 862 CA THR A 59 7.640 3.251 -5.691 1.00 0.00 C ATOM 863 C THR A 59 7.667 1.723 -5.589 1.00 0.00 C ATOM 864 O THR A 59 7.026 1.136 -4.740 1.00 0.00 O ATOM 865 CB THR A 59 8.843 3.858 -4.968 1.00 0.00 C ATOM 866 OG1 THR A 59 8.634 5.252 -4.795 1.00 0.00 O ATOM 867 CG2 THR A 59 10.108 3.627 -5.798 1.00 0.00 C ATOM 0 H THR A 59 6.068 3.204 -4.245 1.00 0.00 H new ATOM 0 HA THR A 59 7.635 3.496 -6.753 1.00 0.00 H new ATOM 0 HB THR A 59 8.960 3.385 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.111 5.600 -5.547 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.965 4.060 -5.283 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.266 2.557 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.995 4.100 -6.773 1.00 0.00 H new ATOM 875 N ASP A 60 8.403 1.077 -6.450 1.00 0.00 N ATOM 876 CA ASP A 60 8.473 -0.412 -6.406 1.00 0.00 C ATOM 877 C ASP A 60 8.982 -0.880 -5.041 1.00 0.00 C ATOM 878 O ASP A 60 9.844 -0.266 -4.444 1.00 0.00 O ATOM 879 CB ASP A 60 9.462 -0.793 -7.508 1.00 0.00 C ATOM 880 CG ASP A 60 8.976 -0.232 -8.846 1.00 0.00 C ATOM 881 OD1 ASP A 60 9.209 0.940 -9.094 1.00 0.00 O ATOM 882 OD2 ASP A 60 8.379 -0.983 -9.599 1.00 0.00 O ATOM 0 H ASP A 60 8.960 1.516 -7.183 1.00 0.00 H new ATOM 0 HA ASP A 60 7.498 -0.876 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.452 -0.400 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.555 -1.877 -7.569 1.00 0.00 H new ATOM 887 N GLY A 61 8.453 -1.964 -4.542 1.00 0.00 N ATOM 888 CA GLY A 61 8.907 -2.470 -3.215 1.00 0.00 C ATOM 889 C GLY A 61 7.979 -3.591 -2.741 1.00 0.00 C ATOM 890 O GLY A 61 7.217 -4.147 -3.508 1.00 0.00 O ATOM 0 H GLY A 61 7.728 -2.520 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.930 -2.839 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.911 -1.658 -2.488 1.00 0.00 H new ATOM 894 N LYS A 62 8.038 -3.928 -1.481 1.00 0.00 N ATOM 895 CA LYS A 62 7.164 -5.014 -0.951 1.00 0.00 C ATOM 896 C LYS A 62 6.480 -4.554 0.341 1.00 0.00 C ATOM 897 O LYS A 62 7.025 -3.776 1.099 1.00 0.00 O ATOM 898 CB LYS A 62 8.111 -6.180 -0.669 1.00 0.00 C ATOM 899 CG LYS A 62 7.310 -7.477 -0.543 1.00 0.00 C ATOM 900 CD LYS A 62 8.044 -8.435 0.396 1.00 0.00 C ATOM 901 CE LYS A 62 7.550 -9.866 0.161 1.00 0.00 C ATOM 902 NZ LYS A 62 8.148 -10.665 1.266 1.00 0.00 N ATOM 0 H LYS A 62 8.656 -3.497 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 62 6.374 -5.290 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.842 -6.270 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.668 -5.995 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.312 -7.266 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.183 -7.936 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.119 -8.378 0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.872 -8.146 1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.461 -9.916 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.868 -10.239 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.855 -11.659 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.185 -10.604 1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.822 -10.291 2.180 1.00 0.00 H new ATOM 916 N VAL A 63 5.291 -5.027 0.601 1.00 0.00 N ATOM 917 CA VAL A 63 4.582 -4.609 1.846 1.00 0.00 C ATOM 918 C VAL A 63 5.023 -5.481 3.026 1.00 0.00 C ATOM 919 O VAL A 63 5.152 -6.684 2.915 1.00 0.00 O ATOM 920 CB VAL A 63 3.087 -4.806 1.537 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.266 -4.852 2.834 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.596 -3.637 0.690 1.00 0.00 C ATOM 0 H VAL A 63 4.781 -5.682 0.008 1.00 0.00 H new ATOM 0 HA VAL A 63 4.802 -3.579 2.125 1.00 0.00 H new ATOM 0 HB VAL A 63 2.962 -5.748 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.212 -4.992 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.610 -5.681 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.393 -3.916 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.537 -3.769 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.738 -2.706 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.161 -3.600 -0.241 1.00 0.00 H new ATOM 932 N GLU A 64 5.233 -4.876 4.161 1.00 0.00 N ATOM 933 CA GLU A 64 5.639 -5.657 5.359 1.00 0.00 C ATOM 934 C GLU A 64 4.391 -6.004 6.176 1.00 0.00 C ATOM 935 O GLU A 64 4.363 -6.977 6.903 1.00 0.00 O ATOM 936 CB GLU A 64 6.559 -4.726 6.150 1.00 0.00 C ATOM 937 CG GLU A 64 7.797 -4.396 5.312 1.00 0.00 C ATOM 938 CD GLU A 64 9.026 -4.331 6.221 1.00 0.00 C ATOM 939 OE1 GLU A 64 9.037 -3.495 7.110 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.934 -5.119 6.013 1.00 0.00 O ATOM 0 H GLU A 64 5.140 -3.871 4.310 1.00 0.00 H new ATOM 0 HA GLU A 64 6.140 -6.592 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.029 -3.810 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.856 -5.200 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.941 -5.154 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.659 -3.444 4.800 1.00 0.00 H new ATOM 947 N LYS A 65 3.356 -5.212 6.049 1.00 0.00 N ATOM 948 CA LYS A 65 2.093 -5.480 6.804 1.00 0.00 C ATOM 949 C LYS A 65 1.060 -4.394 6.487 1.00 0.00 C ATOM 950 O LYS A 65 1.378 -3.223 6.425 1.00 0.00 O ATOM 951 CB LYS A 65 2.475 -5.434 8.289 1.00 0.00 C ATOM 952 CG LYS A 65 3.218 -4.133 8.594 1.00 0.00 C ATOM 953 CD LYS A 65 3.355 -3.966 10.109 1.00 0.00 C ATOM 954 CE LYS A 65 4.830 -3.792 10.474 1.00 0.00 C ATOM 955 NZ LYS A 65 5.305 -5.160 10.821 1.00 0.00 N ATOM 0 H LYS A 65 3.331 -4.386 5.451 1.00 0.00 H new ATOM 0 HA LYS A 65 1.654 -6.441 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.580 -5.505 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.103 -6.289 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.203 -4.147 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.678 -3.286 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.783 -3.101 10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.944 -4.837 10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.397 -3.377 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.951 -3.107 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.311 -5.122 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.752 -5.527 11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.184 -5.788 10.001 1.00 0.00 H new ATOM 969 N VAL A 66 -0.174 -4.769 6.284 1.00 0.00 N ATOM 970 CA VAL A 66 -1.216 -3.748 5.969 1.00 0.00 C ATOM 971 C VAL A 66 -1.922 -3.292 7.249 1.00 0.00 C ATOM 972 O VAL A 66 -2.366 -4.094 8.046 1.00 0.00 O ATOM 973 CB VAL A 66 -2.201 -4.454 5.036 1.00 0.00 C ATOM 974 CG1 VAL A 66 -2.845 -5.634 5.767 1.00 0.00 C ATOM 975 CG2 VAL A 66 -3.287 -3.466 4.606 1.00 0.00 C ATOM 0 H VAL A 66 -0.505 -5.733 6.322 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.788 -2.857 5.510 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.671 -4.820 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.547 -6.136 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.071 -6.337 6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.377 -5.271 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.991 -3.966 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.816 -3.101 5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.829 -2.626 4.084 1.00 0.00 H new ATOM 985 N LEU A 67 -2.031 -2.007 7.449 1.00 0.00 N ATOM 986 CA LEU A 67 -2.710 -1.498 8.676 1.00 0.00 C ATOM 987 C LEU A 67 -4.178 -1.188 8.373 1.00 0.00 C ATOM 988 O LEU A 67 -5.072 -1.624 9.071 1.00 0.00 O ATOM 989 CB LEU A 67 -1.959 -0.217 9.043 1.00 0.00 C ATOM 990 CG LEU A 67 -0.715 -0.571 9.858 1.00 0.00 C ATOM 991 CD1 LEU A 67 0.422 0.383 9.492 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.030 -0.442 11.349 1.00 0.00 C ATOM 0 H LEU A 67 -1.680 -1.288 6.817 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.697 -2.225 9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.674 0.321 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.607 0.445 9.617 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.414 -1.595 9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.309 0.131 10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.646 0.291 8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.123 1.408 9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.144 -0.694 11.931 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.330 0.582 11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.841 -1.122 11.610 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.430 -0.439 7.336 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.838 -0.097 6.984 1.00 0.00 C ATOM 1006 C VAL A 68 -6.651 -1.375 6.752 1.00 0.00 C ATOM 1007 O VAL A 68 -6.105 -2.443 6.557 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.736 0.715 5.692 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -5.110 -0.150 4.595 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -7.132 1.160 5.255 1.00 0.00 C ATOM 0 H VAL A 68 -3.721 -0.048 6.716 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.339 0.458 7.777 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.113 1.593 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.037 0.428 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.114 -0.466 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.733 -1.028 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.058 1.739 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.756 0.283 5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.578 1.776 6.036 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.952 -1.272 6.771 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.799 -2.478 6.548 1.00 0.00 C ATOM 1022 C LYS A 69 -9.950 -2.141 5.597 1.00 0.00 C ATOM 1023 O LYS A 69 -10.296 -0.992 5.411 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.337 -2.850 7.930 1.00 0.00 C ATOM 1025 CG LYS A 69 -9.851 -4.290 7.907 1.00 0.00 C ATOM 1026 CD LYS A 69 -10.481 -4.631 9.258 1.00 0.00 C ATOM 1027 CE LYS A 69 -9.655 -5.719 9.949 1.00 0.00 C ATOM 1028 NZ LYS A 69 -10.478 -6.143 11.116 1.00 0.00 N ATOM 0 H LYS A 69 -8.465 -0.405 6.931 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.240 -3.298 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.551 -2.745 8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.140 -2.170 8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.585 -4.412 7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.031 -4.976 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.526 -3.741 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.506 -4.973 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.462 -6.555 9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.685 -5.336 10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.978 -6.888 11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.639 -5.328 11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.392 -6.509 10.781 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.542 -3.133 4.992 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.669 -2.862 4.055 1.00 0.00 C ATOM 1044 C GLU A 70 -12.927 -2.479 4.836 1.00 0.00 C ATOM 1045 O GLU A 70 -13.090 -2.836 5.986 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.883 -4.175 3.299 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.726 -3.930 1.797 1.00 0.00 C ATOM 1048 CD GLU A 70 -12.218 -5.155 1.026 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -13.121 -5.815 1.513 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -11.683 -5.414 -0.040 1.00 0.00 O ATOM 0 H GLU A 70 -10.296 -4.116 5.105 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.453 -2.035 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.163 -4.921 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.876 -4.572 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.294 -3.048 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.681 -3.732 1.557 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.820 -1.754 4.218 1.00 0.00 N ATOM 1058 CA ARG A 71 -15.074 -1.341 4.917 1.00 0.00 C ATOM 1059 C ARG A 71 -14.742 -0.546 6.183 1.00 0.00 C ATOM 1060 O ARG A 71 -15.488 -0.547 7.141 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.789 -2.646 5.276 1.00 0.00 C ATOM 1062 CG ARG A 71 -17.277 -2.369 5.489 1.00 0.00 C ATOM 1063 CD ARG A 71 -18.093 -3.583 5.040 1.00 0.00 C ATOM 1064 NE ARG A 71 -18.340 -4.361 6.285 1.00 0.00 N ATOM 1065 CZ ARG A 71 -19.465 -5.004 6.439 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -20.026 -5.587 5.416 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -20.027 -5.064 7.616 1.00 0.00 N ATOM 0 H ARG A 71 -13.736 -1.428 3.255 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.694 -0.699 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.655 -3.378 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.355 -3.075 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.471 -2.156 6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.578 -1.487 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -19.029 -3.278 4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.548 -4.176 4.305 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.630 -4.391 7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.585 -5.540 4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.905 -6.090 5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.587 -4.608 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.906 -5.567 7.736 1.00 0.00 H new ATOM 1081 N ASP A 72 -13.630 0.137 6.190 1.00 0.00 N ATOM 1082 CA ASP A 72 -13.255 0.938 7.390 1.00 0.00 C ATOM 1083 C ASP A 72 -13.287 2.430 7.049 1.00 0.00 C ATOM 1084 O ASP A 72 -12.498 2.913 6.261 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.833 0.492 7.736 1.00 0.00 C ATOM 1086 CG ASP A 72 -11.338 1.256 8.967 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -12.166 1.833 9.655 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -10.143 1.249 9.202 1.00 0.00 O ATOM 0 H ASP A 72 -12.965 0.175 5.417 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.939 0.786 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.815 -0.580 7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.169 0.674 6.891 1.00 0.00 H new ATOM 1093 N ALA A 73 -14.200 3.161 7.628 1.00 0.00 N ATOM 1094 CA ALA A 73 -14.287 4.620 7.324 1.00 0.00 C ATOM 1095 C ALA A 73 -13.733 5.447 8.488 1.00 0.00 C ATOM 1096 O ALA A 73 -13.344 4.910 9.506 1.00 0.00 O ATOM 1097 CB ALA A 73 -15.779 4.895 7.135 1.00 0.00 C ATOM 0 H ALA A 73 -14.888 2.814 8.296 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.704 4.890 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -15.928 5.950 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.159 4.289 6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -16.314 4.642 8.050 1.00 0.00 H new ATOM 1103 N VAL A 74 -13.700 6.752 8.329 1.00 0.00 N ATOM 1104 CA VAL A 74 -13.179 7.669 9.400 1.00 0.00 C ATOM 1105 C VAL A 74 -11.985 7.055 10.141 1.00 0.00 C ATOM 1106 O VAL A 74 -11.998 6.909 11.348 1.00 0.00 O ATOM 1107 CB VAL A 74 -14.357 7.899 10.356 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -15.514 8.548 9.591 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -14.829 6.570 10.951 1.00 0.00 C ATOM 0 H VAL A 74 -14.018 7.230 7.486 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.815 8.603 8.973 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.031 8.554 11.164 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.352 8.712 10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.188 9.503 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -15.827 7.891 8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.665 6.750 11.627 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.148 5.905 10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.010 6.107 11.502 1.00 0.00 H new ATOM 1119 N GLN A 75 -10.951 6.695 9.430 1.00 0.00 N ATOM 1120 CA GLN A 75 -9.764 6.093 10.099 1.00 0.00 C ATOM 1121 C GLN A 75 -8.471 6.680 9.526 1.00 0.00 C ATOM 1122 O GLN A 75 -7.735 6.016 8.822 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.857 4.598 9.796 1.00 0.00 C ATOM 1124 CG GLN A 75 -9.786 4.377 8.284 1.00 0.00 C ATOM 1125 CD GLN A 75 -8.522 3.584 7.943 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -7.763 3.982 6.958 1.00 0.00 O flip ATOM 1127 NE2 GLN A 75 -8.222 2.592 8.577 1.00 0.00 N flip ATOM 0 H GLN A 75 -10.877 6.792 8.417 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.750 6.293 11.170 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.045 4.065 10.290 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.790 4.194 10.190 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.670 3.838 7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.778 5.336 7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.814 2.280 9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.378 2.071 8.340 1.00 0.00 H new ATOM 1136 N GLY A 76 -8.186 7.917 9.826 1.00 0.00 N ATOM 1137 CA GLY A 76 -6.939 8.543 9.304 1.00 0.00 C ATOM 1138 C GLY A 76 -6.019 8.894 10.474 1.00 0.00 C ATOM 1139 O GLY A 76 -6.416 8.843 11.622 1.00 0.00 O ATOM 0 H GLY A 76 -8.763 8.522 10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.434 7.859 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.180 9.441 8.735 1.00 0.00 H new ATOM 1143 N GLY A 77 -4.793 9.245 10.198 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.854 9.593 11.300 1.00 0.00 C ATOM 1145 C GLY A 77 -2.900 8.422 11.536 1.00 0.00 C ATOM 1146 O GLY A 77 -1.771 8.600 11.947 1.00 0.00 O ATOM 0 H GLY A 77 -4.402 9.306 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.291 10.491 11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.410 9.814 12.211 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.347 7.225 11.274 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.466 6.041 11.478 1.00 0.00 C ATOM 1152 C GLN A 78 -1.930 5.552 10.131 1.00 0.00 C ATOM 1153 O GLN A 78 -2.552 5.736 9.101 1.00 0.00 O ATOM 1154 CB GLN A 78 -3.365 4.981 12.118 1.00 0.00 C ATOM 1155 CG GLN A 78 -3.142 4.970 13.632 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.482 4.787 14.347 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -4.696 3.797 15.018 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -5.401 5.706 14.231 1.00 0.00 N ATOM 0 H GLN A 78 -4.283 7.016 10.928 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.602 6.268 12.103 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.411 5.193 11.895 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.143 3.999 11.700 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.460 4.164 13.903 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.674 5.903 13.948 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.222 6.538 13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.298 5.593 14.703 1.00 0.00 H new ATOM 1167 N GLY A 79 -0.780 4.933 10.129 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.201 4.435 8.849 1.00 0.00 C ATOM 1169 C GLY A 79 -1.216 3.534 8.143 1.00 0.00 C ATOM 1170 O GLY A 79 -1.857 2.704 8.756 1.00 0.00 O ATOM 0 H GLY A 79 -0.216 4.751 10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.063 5.275 8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.718 3.882 9.045 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.366 3.689 6.856 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.338 2.839 6.111 1.00 0.00 C ATOM 1176 C LEU A 80 -1.655 1.553 5.636 1.00 0.00 C ATOM 1177 O LEU A 80 -2.141 0.462 5.863 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.774 3.691 4.919 1.00 0.00 C ATOM 1179 CG LEU A 80 -3.406 4.989 5.425 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -3.529 5.984 4.269 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.796 4.692 5.992 1.00 0.00 C ATOM 0 H LEU A 80 -0.858 4.367 6.288 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.186 2.539 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.916 3.915 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.488 3.141 4.307 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.778 5.417 6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.979 6.908 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.539 6.197 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.156 5.557 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.247 5.616 6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.424 4.263 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.709 3.985 6.817 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.531 1.672 4.985 1.00 0.00 N ATOM 1194 CA ILE A 81 0.184 0.457 4.502 1.00 0.00 C ATOM 1195 C ILE A 81 1.680 0.568 4.813 1.00 0.00 C ATOM 1196 O ILE A 81 2.274 1.620 4.684 1.00 0.00 O ATOM 1197 CB ILE A 81 -0.053 0.428 2.990 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.566 1.673 2.352 1.00 0.00 C ATOM 1199 CG2 ILE A 81 -1.556 0.407 2.709 1.00 0.00 C ATOM 1200 CD1 ILE A 81 1.768 1.263 1.498 1.00 0.00 C ATOM 0 H ILE A 81 -0.076 2.559 4.766 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.174 -0.453 4.984 1.00 0.00 H new ATOM 0 HB ILE A 81 0.409 -0.465 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.173 2.185 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.878 2.375 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.725 0.386 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.999 -0.480 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.018 1.299 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.210 2.149 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.509 0.770 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.442 0.578 0.716 1.00 0.00 H new ATOM 1212 N LYS A 82 2.291 -0.509 5.222 1.00 0.00 N ATOM 1213 CA LYS A 82 3.747 -0.464 5.543 1.00 0.00 C ATOM 1214 C LYS A 82 4.573 -0.873 4.320 1.00 0.00 C ATOM 1215 O LYS A 82 4.271 -1.840 3.651 1.00 0.00 O ATOM 1216 CB LYS A 82 3.927 -1.476 6.675 1.00 0.00 C ATOM 1217 CG LYS A 82 4.691 -0.827 7.831 1.00 0.00 C ATOM 1218 CD LYS A 82 6.080 -0.401 7.353 1.00 0.00 C ATOM 1219 CE LYS A 82 7.102 -1.476 7.729 1.00 0.00 C ATOM 1220 NZ LYS A 82 8.349 -0.726 8.047 1.00 0.00 N ATOM 0 H LYS A 82 1.846 -1.418 5.348 1.00 0.00 H new ATOM 0 HA LYS A 82 4.079 0.534 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.954 -1.826 7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.470 -2.349 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.142 0.038 8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.780 -1.528 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.074 -0.251 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.355 0.552 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.764 -2.061 8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.260 -2.175 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.130 -1.088 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.207 0.285 7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.582 -0.850 9.053 1.00 0.00 H new ATOM 1234 N ILE A 83 5.613 -0.143 4.025 1.00 0.00 N ATOM 1235 CA ILE A 83 6.457 -0.491 2.847 1.00 0.00 C ATOM 1236 C ILE A 83 7.923 -0.155 3.131 1.00 0.00 C ATOM 1237 O ILE A 83 8.229 0.789 3.834 1.00 0.00 O ATOM 1238 CB ILE A 83 5.918 0.371 1.708 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.745 0.118 0.444 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.017 1.848 2.093 1.00 0.00 C ATOM 1241 CD1 ILE A 83 5.824 -0.356 -0.681 1.00 0.00 C ATOM 0 H ILE A 83 5.915 0.679 4.548 1.00 0.00 H new ATOM 0 HA ILE A 83 6.417 -1.553 2.607 1.00 0.00 H new ATOM 0 HB ILE A 83 4.875 0.114 1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.261 1.030 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.511 -0.632 0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.632 2.463 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.430 2.029 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 83 7.059 2.106 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.412 -0.536 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.328 -1.279 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.075 0.409 -0.884 1.00 0.00 H new ATOM 1253 N GLY A 84 8.832 -0.919 2.591 1.00 0.00 N ATOM 1254 CA GLY A 84 10.276 -0.643 2.832 1.00 0.00 C ATOM 1255 C GLY A 84 11.083 -1.924 2.618 1.00 0.00 C ATOM 1256 O GLY A 84 11.646 -2.075 1.546 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.123 -2.735 3.529 1.00 0.00 O ATOM 0 H GLY A 84 8.637 -1.722 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.626 0.137 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.422 -0.274 3.847 1.00 0.00 H new TER 1261 GLY A 84