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 Set 1.1: A 42 THR OG1 : rot -20:sc= 0.663 USER MOD Set 1.2: A 56 ASN : amide:sc= 0.363 K(o=1,f=-2) 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= -0.0777 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 12 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0827) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 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= 0.00632 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) 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 157:sc= -0.127 (180deg=-1.19) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.234 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 : amide:sc= -2.16 K(o=-2.2,f=-6.3!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= -0.119 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.603 8.699 4.544 1.00 0.00 N ATOM 2 CA MET A 1 12.147 10.020 4.024 1.00 0.00 C ATOM 3 C MET A 1 12.035 11.031 5.169 1.00 0.00 C ATOM 4 O MET A 1 10.956 11.466 5.521 1.00 0.00 O ATOM 5 CB MET A 1 10.773 9.751 3.409 1.00 0.00 C ATOM 6 CG MET A 1 10.916 9.563 1.898 1.00 0.00 C ATOM 7 SD MET A 1 9.274 9.398 1.152 1.00 0.00 S ATOM 8 CE MET A 1 9.735 8.231 -0.150 1.00 0.00 C ATOM 0 H1 MET A 1 12.675 8.022 3.757 1.00 0.00 H new ATOM 0 H2 MET A 1 13.534 8.806 4.995 1.00 0.00 H new ATOM 0 H3 MET A 1 11.919 8.346 5.243 1.00 0.00 H new ATOM 0 HA MET A 1 12.843 10.440 3.298 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.331 8.861 3.856 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.100 10.582 3.620 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.441 10.413 1.463 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.514 8.677 1.686 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.856 7.985 -0.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.493 8.681 -0.791 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.134 7.322 0.301 1.00 0.00 H new ATOM 20 N LYS A 2 13.140 11.406 5.753 1.00 0.00 N ATOM 21 CA LYS A 2 13.093 12.389 6.875 1.00 0.00 C ATOM 22 C LYS A 2 14.439 13.108 7.001 1.00 0.00 C ATOM 23 O LYS A 2 15.486 12.526 6.800 1.00 0.00 O ATOM 24 CB LYS A 2 12.811 11.551 8.123 1.00 0.00 C ATOM 25 CG LYS A 2 12.176 12.435 9.199 1.00 0.00 C ATOM 26 CD LYS A 2 11.265 11.585 10.088 1.00 0.00 C ATOM 27 CE LYS A 2 10.126 11.003 9.247 1.00 0.00 C ATOM 28 NZ LYS A 2 8.890 11.273 10.036 1.00 0.00 N ATOM 0 H LYS A 2 14.072 11.076 5.503 1.00 0.00 H new ATOM 0 HA LYS A 2 12.336 13.158 6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.144 10.725 7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.737 11.113 8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.952 12.907 9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.602 13.237 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.838 10.781 10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.860 12.192 10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.079 11.474 8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.263 9.934 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.064 10.903 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.961 10.806 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.782 12.298 10.172 1.00 0.00 H new ATOM 42 N LEU A 3 14.420 14.370 7.334 1.00 0.00 N ATOM 43 CA LEU A 3 15.699 15.123 7.473 1.00 0.00 C ATOM 44 C LEU A 3 15.483 16.385 8.313 1.00 0.00 C ATOM 45 O LEU A 3 15.805 17.482 7.898 1.00 0.00 O ATOM 46 CB LEU A 3 16.101 15.490 6.043 1.00 0.00 C ATOM 47 CG LEU A 3 17.587 15.192 5.837 1.00 0.00 C ATOM 48 CD1 LEU A 3 17.741 13.981 4.914 1.00 0.00 C ATOM 49 CD2 LEU A 3 18.268 16.407 5.204 1.00 0.00 C ATOM 0 H LEU A 3 13.575 14.912 7.516 1.00 0.00 H new ATOM 0 HA LEU A 3 16.470 14.538 7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.503 14.923 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.902 16.546 5.858 1.00 0.00 H new ATOM 0 HG LEU A 3 18.051 14.976 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 3 18.800 13.768 4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 3 17.256 13.115 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.277 14.196 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 3 19.327 16.195 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.804 16.624 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 3 18.158 17.269 5.862 1.00 0.00 H new ATOM 61 N LYS A 4 14.941 16.240 9.492 1.00 0.00 N ATOM 62 CA LYS A 4 14.708 17.431 10.357 1.00 0.00 C ATOM 63 C LYS A 4 14.630 17.012 11.829 1.00 0.00 C ATOM 64 O LYS A 4 13.797 16.217 12.215 1.00 0.00 O ATOM 65 CB LYS A 4 13.371 18.008 9.892 1.00 0.00 C ATOM 66 CG LYS A 4 13.611 19.347 9.189 1.00 0.00 C ATOM 67 CD LYS A 4 12.481 19.613 8.193 1.00 0.00 C ATOM 68 CE LYS A 4 13.057 19.710 6.779 1.00 0.00 C ATOM 69 NZ LYS A 4 11.930 19.340 5.879 1.00 0.00 N ATOM 0 H LYS A 4 14.650 15.349 9.893 1.00 0.00 H new ATOM 0 HA LYS A 4 15.515 18.160 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.878 17.312 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.706 18.146 10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.659 20.151 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.570 19.331 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.743 18.812 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.965 20.538 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.417 20.717 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.903 19.035 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.247 19.383 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.613 18.374 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.142 20.004 6.019 1.00 0.00 H new ATOM 83 N VAL A 5 15.493 17.543 12.652 1.00 0.00 N ATOM 84 CA VAL A 5 15.469 17.177 14.098 1.00 0.00 C ATOM 85 C VAL A 5 14.071 17.406 14.680 1.00 0.00 C ATOM 86 O VAL A 5 13.216 17.993 14.048 1.00 0.00 O ATOM 87 CB VAL A 5 16.486 18.111 14.757 1.00 0.00 C ATOM 88 CG1 VAL A 5 16.033 19.563 14.585 1.00 0.00 C ATOM 89 CG2 VAL A 5 16.589 17.784 16.248 1.00 0.00 C ATOM 0 H VAL A 5 16.214 18.214 12.386 1.00 0.00 H new ATOM 0 HA VAL A 5 15.711 16.127 14.264 1.00 0.00 H new ATOM 0 HB VAL A 5 17.460 17.975 14.287 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.758 20.228 15.055 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.960 19.798 13.523 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.059 19.698 15.055 1.00 0.00 H new ATOM 0 HG21 VAL A 5 17.314 18.449 16.717 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.615 17.919 16.718 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.912 16.750 16.372 1.00 0.00 H new ATOM 99 N THR A 6 13.836 16.949 15.879 1.00 0.00 N ATOM 100 CA THR A 6 12.495 17.142 16.505 1.00 0.00 C ATOM 101 C THR A 6 11.393 16.609 15.584 1.00 0.00 C ATOM 102 O THR A 6 10.987 17.261 14.643 1.00 0.00 O ATOM 103 CB THR A 6 12.354 18.654 16.688 1.00 0.00 C ATOM 104 OG1 THR A 6 13.546 19.172 17.264 1.00 0.00 O ATOM 105 CG2 THR A 6 11.170 18.948 17.609 1.00 0.00 C ATOM 0 H THR A 6 14.515 16.450 16.454 1.00 0.00 H new ATOM 0 HA THR A 6 12.404 16.606 17.450 1.00 0.00 H new ATOM 0 HB THR A 6 12.184 19.125 15.720 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.459 20.141 17.381 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.069 20.025 17.740 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.257 18.549 17.167 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.338 18.479 18.579 1.00 0.00 H new ATOM 113 N VAL A 7 10.905 15.429 15.850 1.00 0.00 N ATOM 114 CA VAL A 7 9.828 14.856 14.992 1.00 0.00 C ATOM 115 C VAL A 7 8.573 14.590 15.828 1.00 0.00 C ATOM 116 O VAL A 7 8.266 13.463 16.163 1.00 0.00 O ATOM 117 CB VAL A 7 10.403 13.545 14.456 1.00 0.00 C ATOM 118 CG1 VAL A 7 9.360 12.852 13.577 1.00 0.00 C ATOM 119 CG2 VAL A 7 11.655 13.839 13.628 1.00 0.00 C ATOM 0 H VAL A 7 11.205 14.836 16.624 1.00 0.00 H new ATOM 0 HA VAL A 7 9.537 15.532 14.188 1.00 0.00 H new ATOM 0 HB VAL A 7 10.664 12.894 15.290 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.770 11.917 13.195 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.468 12.643 14.167 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.098 13.502 12.742 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.066 12.905 13.245 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.395 14.490 12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.398 14.332 14.255 1.00 0.00 H new ATOM 129 N ASN A 8 7.846 15.618 16.169 1.00 0.00 N ATOM 130 CA ASN A 8 6.612 15.423 16.982 1.00 0.00 C ATOM 131 C ASN A 8 5.384 15.353 16.069 1.00 0.00 C ATOM 132 O ASN A 8 4.598 16.277 15.999 1.00 0.00 O ATOM 133 CB ASN A 8 6.537 16.651 17.891 1.00 0.00 C ATOM 134 CG ASN A 8 7.264 16.360 19.205 1.00 0.00 C ATOM 135 OD1 ASN A 8 8.388 15.898 19.201 1.00 0.00 O ATOM 136 ND2 ASN A 8 6.667 16.615 20.336 1.00 0.00 N ATOM 0 H ASN A 8 8.053 16.585 15.920 1.00 0.00 H new ATOM 0 HA ASN A 8 6.636 14.495 17.554 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.989 17.511 17.396 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.496 16.907 18.088 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.143 16.427 21.218 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.724 17.003 20.339 1.00 0.00 H new ATOM 143 N GLY A 9 5.215 14.264 15.370 1.00 0.00 N ATOM 144 CA GLY A 9 4.038 14.138 14.462 1.00 0.00 C ATOM 145 C GLY A 9 3.028 13.161 15.066 1.00 0.00 C ATOM 146 O GLY A 9 2.875 13.073 16.268 1.00 0.00 O ATOM 0 H GLY A 9 5.839 13.457 15.388 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.573 15.113 14.315 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.358 13.786 13.481 1.00 0.00 H new ATOM 150 N ALA A 10 2.333 12.426 14.239 1.00 0.00 N ATOM 151 CA ALA A 10 1.329 11.456 14.766 1.00 0.00 C ATOM 152 C ALA A 10 1.995 10.469 15.729 1.00 0.00 C ATOM 153 O ALA A 10 3.186 10.523 15.963 1.00 0.00 O ATOM 154 CB ALA A 10 0.800 10.725 13.531 1.00 0.00 C ATOM 0 H ALA A 10 2.417 12.455 13.223 1.00 0.00 H new ATOM 0 HA ALA A 10 0.532 11.950 15.322 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.054 9.991 13.835 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.346 11.444 12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.623 10.218 13.028 1.00 0.00 H new ATOM 160 N GLY A 11 1.234 9.569 16.290 1.00 0.00 N ATOM 161 CA GLY A 11 1.822 8.581 17.238 1.00 0.00 C ATOM 162 C GLY A 11 1.038 7.270 17.163 1.00 0.00 C ATOM 163 O GLY A 11 0.873 6.576 18.147 1.00 0.00 O ATOM 0 H GLY A 11 0.231 9.475 16.133 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.869 8.405 16.993 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.795 8.975 18.254 1.00 0.00 H new ATOM 167 N LYS A 12 0.552 6.924 16.002 1.00 0.00 N ATOM 168 CA LYS A 12 -0.222 5.657 15.864 1.00 0.00 C ATOM 169 C LYS A 12 0.378 4.788 14.754 1.00 0.00 C ATOM 170 O LYS A 12 -0.292 3.959 14.173 1.00 0.00 O ATOM 171 CB LYS A 12 -1.639 6.098 15.493 1.00 0.00 C ATOM 172 CG LYS A 12 -2.325 6.705 16.719 1.00 0.00 C ATOM 173 CD LYS A 12 -3.184 7.895 16.286 1.00 0.00 C ATOM 174 CE LYS A 12 -4.654 7.604 16.597 1.00 0.00 C ATOM 175 NZ LYS A 12 -4.772 7.754 18.074 1.00 0.00 N ATOM 0 H LYS A 12 0.657 7.464 15.143 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.206 5.061 16.777 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.604 6.828 14.685 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.212 5.246 15.128 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.945 5.955 17.211 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.578 7.027 17.445 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.863 8.797 16.807 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.057 8.080 15.219 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.313 8.299 16.076 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.934 6.600 16.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.076 6.851 18.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.849 8.025 18.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.473 8.491 18.293 1.00 0.00 H new ATOM 189 N ALA A 13 1.635 4.973 14.454 1.00 0.00 N ATOM 190 CA ALA A 13 2.273 4.157 13.381 1.00 0.00 C ATOM 191 C ALA A 13 3.506 3.432 13.926 1.00 0.00 C ATOM 192 O ALA A 13 4.089 3.832 14.914 1.00 0.00 O ATOM 193 CB ALA A 13 2.677 5.164 12.304 1.00 0.00 C ATOM 0 H ALA A 13 2.247 5.653 14.905 1.00 0.00 H new ATOM 0 HA ALA A 13 1.601 3.391 12.993 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.155 4.640 11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.790 5.683 11.940 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.374 5.888 12.726 1.00 0.00 H new ATOM 199 N GLY A 14 3.909 2.366 13.287 1.00 0.00 N ATOM 200 CA GLY A 14 5.104 1.618 13.768 1.00 0.00 C ATOM 201 C GLY A 14 6.366 2.213 13.140 1.00 0.00 C ATOM 202 O GLY A 14 6.765 3.318 13.451 1.00 0.00 O ATOM 0 H GLY A 14 3.462 1.982 12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.166 1.671 14.855 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.016 0.564 13.505 1.00 0.00 H new ATOM 206 N GLU A 15 6.997 1.489 12.257 1.00 0.00 N ATOM 207 CA GLU A 15 8.232 2.012 11.607 1.00 0.00 C ATOM 208 C GLU A 15 8.237 1.652 10.118 1.00 0.00 C ATOM 209 O GLU A 15 8.110 0.503 9.748 1.00 0.00 O ATOM 210 CB GLU A 15 9.387 1.316 12.329 1.00 0.00 C ATOM 211 CG GLU A 15 9.747 2.099 13.593 1.00 0.00 C ATOM 212 CD GLU A 15 11.254 2.003 13.842 1.00 0.00 C ATOM 213 OE1 GLU A 15 11.794 0.920 13.686 1.00 0.00 O ATOM 214 OE2 GLU A 15 11.843 3.015 14.185 1.00 0.00 O ATOM 0 H GLU A 15 6.711 0.557 11.957 1.00 0.00 H new ATOM 0 HA GLU A 15 8.305 3.097 11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.105 0.296 12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.253 1.249 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.452 3.142 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.200 1.701 14.448 1.00 0.00 H new ATOM 221 N GLY A 16 8.385 2.627 9.263 1.00 0.00 N ATOM 222 CA GLY A 16 8.399 2.339 7.802 1.00 0.00 C ATOM 223 C GLY A 16 7.006 2.581 7.218 1.00 0.00 C ATOM 224 O GLY A 16 6.860 2.998 6.086 1.00 0.00 O ATOM 0 H GLY A 16 8.497 3.609 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.129 2.976 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.703 1.307 7.627 1.00 0.00 H new ATOM 228 N GLU A 17 5.980 2.319 7.981 1.00 0.00 N ATOM 229 CA GLU A 17 4.596 2.531 7.469 1.00 0.00 C ATOM 230 C GLU A 17 4.408 3.988 7.021 1.00 0.00 C ATOM 231 O GLU A 17 5.332 4.776 7.032 1.00 0.00 O ATOM 232 CB GLU A 17 3.671 2.173 8.648 1.00 0.00 C ATOM 233 CG GLU A 17 3.579 3.332 9.656 1.00 0.00 C ATOM 234 CD GLU A 17 4.978 3.713 10.144 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.725 2.816 10.502 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.280 4.895 10.152 1.00 0.00 O ATOM 0 H GLU A 17 6.040 1.967 8.937 1.00 0.00 H new ATOM 0 HA GLU A 17 4.376 1.917 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.676 1.934 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.046 1.281 9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.100 4.193 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.957 3.041 10.502 1.00 0.00 H new ATOM 243 N ILE A 18 3.214 4.348 6.632 1.00 0.00 N ATOM 244 CA ILE A 18 2.965 5.750 6.187 1.00 0.00 C ATOM 245 C ILE A 18 1.618 6.246 6.735 1.00 0.00 C ATOM 246 O ILE A 18 0.577 5.778 6.315 1.00 0.00 O ATOM 247 CB ILE A 18 2.927 5.679 4.660 1.00 0.00 C ATOM 248 CG1 ILE A 18 4.223 5.048 4.145 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.787 7.091 4.089 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.976 3.577 3.806 1.00 0.00 C ATOM 0 H ILE A 18 2.401 3.733 6.603 1.00 0.00 H new ATOM 0 HA ILE A 18 3.729 6.440 6.545 1.00 0.00 H new ATOM 0 HB ILE A 18 2.078 5.072 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.574 5.582 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.005 5.132 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.760 7.042 3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.865 7.542 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.637 7.697 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.899 3.128 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.645 3.048 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.207 3.505 3.037 1.00 0.00 H new ATOM 262 N PRO A 19 1.674 7.177 7.657 1.00 0.00 N ATOM 263 CA PRO A 19 0.429 7.723 8.253 1.00 0.00 C ATOM 264 C PRO A 19 -0.291 8.626 7.248 1.00 0.00 C ATOM 265 O PRO A 19 0.322 9.423 6.567 1.00 0.00 O ATOM 266 CB PRO A 19 0.924 8.527 9.452 1.00 0.00 C ATOM 267 CG PRO A 19 2.336 8.892 9.118 1.00 0.00 C ATOM 268 CD PRO A 19 2.876 7.805 8.226 1.00 0.00 C ATOM 0 HA PRO A 19 -0.286 6.950 8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.314 9.416 9.610 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.875 7.939 10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.375 9.858 8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.936 8.980 10.024 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.520 8.212 7.446 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.472 7.087 8.789 1.00 0.00 H new ATOM 276 N ALA A 20 -1.588 8.508 7.148 1.00 0.00 N ATOM 277 CA ALA A 20 -2.340 9.362 6.184 1.00 0.00 C ATOM 278 C ALA A 20 -2.562 10.759 6.778 1.00 0.00 C ATOM 279 O ALA A 20 -2.907 10.886 7.937 1.00 0.00 O ATOM 280 CB ALA A 20 -3.676 8.647 5.979 1.00 0.00 C ATOM 0 H ALA A 20 -2.158 7.859 7.691 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.803 9.497 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.289 9.215 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.497 7.650 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.195 8.566 6.934 1.00 0.00 H new ATOM 286 N PRO A 21 -2.356 11.772 5.969 1.00 0.00 N ATOM 287 CA PRO A 21 -2.539 13.165 6.442 1.00 0.00 C ATOM 288 C PRO A 21 -4.030 13.503 6.565 1.00 0.00 C ATOM 289 O PRO A 21 -4.416 14.376 7.315 1.00 0.00 O ATOM 290 CB PRO A 21 -1.883 14.005 5.352 1.00 0.00 C ATOM 291 CG PRO A 21 -1.941 13.161 4.118 1.00 0.00 C ATOM 292 CD PRO A 21 -1.937 11.720 4.560 1.00 0.00 C ATOM 0 HA PRO A 21 -2.107 13.339 7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.412 14.948 5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.854 14.253 5.612 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.839 13.384 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.088 13.367 3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.623 11.119 3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.948 11.274 4.455 1.00 0.00 H new ATOM 300 N LEU A 22 -4.867 12.822 5.832 1.00 0.00 N ATOM 301 CA LEU A 22 -6.328 13.114 5.910 1.00 0.00 C ATOM 302 C LEU A 22 -7.129 11.812 6.019 1.00 0.00 C ATOM 303 O LEU A 22 -6.827 10.830 5.371 1.00 0.00 O ATOM 304 CB LEU A 22 -6.658 13.836 4.603 1.00 0.00 C ATOM 305 CG LEU A 22 -7.507 15.073 4.904 1.00 0.00 C ATOM 306 CD1 LEU A 22 -8.805 14.645 5.591 1.00 0.00 C ATOM 307 CD2 LEU A 22 -6.728 16.014 5.825 1.00 0.00 C ATOM 0 H LEU A 22 -4.605 12.079 5.185 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.580 13.714 6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.739 14.127 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.196 13.167 3.931 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.742 15.589 3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.410 15.526 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.360 13.974 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.571 14.130 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.332 16.895 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.493 15.499 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.803 16.319 5.336 1.00 0.00 H new ATOM 319 N ALA A 23 -8.149 11.801 6.831 1.00 0.00 N ATOM 320 CA ALA A 23 -8.972 10.567 6.979 1.00 0.00 C ATOM 321 C ALA A 23 -9.527 10.142 5.617 1.00 0.00 C ATOM 322 O ALA A 23 -9.301 10.793 4.615 1.00 0.00 O ATOM 323 CB ALA A 23 -10.107 10.961 7.923 1.00 0.00 C ATOM 0 H ALA A 23 -8.449 12.593 7.399 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.396 9.726 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.761 10.104 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.691 11.284 8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.680 11.777 7.482 1.00 0.00 H new ATOM 329 N GLY A 24 -10.254 9.058 5.568 1.00 0.00 N ATOM 330 CA GLY A 24 -10.818 8.605 4.264 1.00 0.00 C ATOM 331 C GLY A 24 -11.690 7.367 4.480 1.00 0.00 C ATOM 332 O GLY A 24 -11.522 6.636 5.435 1.00 0.00 O ATOM 0 H GLY A 24 -10.481 8.470 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.409 9.404 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.011 8.376 3.568 1.00 0.00 H new ATOM 336 N THR A 25 -12.619 7.126 3.595 1.00 0.00 N ATOM 337 CA THR A 25 -13.502 5.933 3.743 1.00 0.00 C ATOM 338 C THR A 25 -13.010 4.803 2.837 1.00 0.00 C ATOM 339 O THR A 25 -12.918 4.954 1.635 1.00 0.00 O ATOM 340 CB THR A 25 -14.888 6.407 3.304 1.00 0.00 C ATOM 341 OG1 THR A 25 -15.072 7.760 3.699 1.00 0.00 O ATOM 342 CG2 THR A 25 -15.959 5.533 3.956 1.00 0.00 C ATOM 0 H THR A 25 -12.805 7.704 2.775 1.00 0.00 H new ATOM 0 HA THR A 25 -13.510 5.547 4.762 1.00 0.00 H new ATOM 0 HB THR A 25 -14.971 6.330 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.959 8.065 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.946 5.872 3.642 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.818 4.496 3.651 1.00 0.00 H new ATOM 0 HG23 THR A 25 -15.878 5.607 5.040 1.00 0.00 H new ATOM 350 N VAL A 26 -12.689 3.671 3.401 1.00 0.00 N ATOM 351 CA VAL A 26 -12.201 2.537 2.567 1.00 0.00 C ATOM 352 C VAL A 26 -13.358 1.919 1.779 1.00 0.00 C ATOM 353 O VAL A 26 -14.434 1.703 2.300 1.00 0.00 O ATOM 354 CB VAL A 26 -11.634 1.526 3.564 1.00 0.00 C ATOM 355 CG1 VAL A 26 -11.081 0.317 2.805 1.00 0.00 C ATOM 356 CG2 VAL A 26 -10.508 2.177 4.369 1.00 0.00 C ATOM 0 H VAL A 26 -12.743 3.483 4.402 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.455 2.855 1.838 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.425 1.203 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.676 -0.404 3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.881 -0.149 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.291 0.642 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.105 1.455 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.717 2.501 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.899 3.039 4.910 1.00 0.00 H new ATOM 366 N SER A 27 -13.140 1.627 0.526 1.00 0.00 N ATOM 367 CA SER A 27 -14.223 1.017 -0.299 1.00 0.00 C ATOM 368 C SER A 27 -13.814 -0.393 -0.731 1.00 0.00 C ATOM 369 O SER A 27 -14.641 -1.271 -0.883 1.00 0.00 O ATOM 370 CB SER A 27 -14.359 1.934 -1.515 1.00 0.00 C ATOM 371 OG SER A 27 -15.352 1.414 -2.387 1.00 0.00 O ATOM 0 H SER A 27 -12.259 1.784 0.037 1.00 0.00 H new ATOM 0 HA SER A 27 -15.163 0.926 0.246 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.629 2.941 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.405 2.010 -2.036 1.00 0.00 H new ATOM 0 HG SER A 27 -15.442 2.001 -3.167 1.00 0.00 H new ATOM 377 N LYS A 28 -12.543 -0.616 -0.928 1.00 0.00 N ATOM 378 CA LYS A 28 -12.077 -1.969 -1.348 1.00 0.00 C ATOM 379 C LYS A 28 -10.547 -2.024 -1.340 1.00 0.00 C ATOM 380 O LYS A 28 -9.882 -1.086 -1.732 1.00 0.00 O ATOM 381 CB LYS A 28 -12.614 -2.150 -2.768 1.00 0.00 C ATOM 382 CG LYS A 28 -13.720 -3.208 -2.762 1.00 0.00 C ATOM 383 CD LYS A 28 -13.824 -3.847 -4.148 1.00 0.00 C ATOM 384 CE LYS A 28 -14.320 -2.809 -5.155 1.00 0.00 C ATOM 385 NZ LYS A 28 -14.303 -3.511 -6.469 1.00 0.00 N ATOM 0 H LYS A 28 -11.806 0.081 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.427 -2.754 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.003 -1.204 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.809 -2.453 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.504 -3.971 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.672 -2.753 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.852 -4.232 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.508 -4.695 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.323 -2.463 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.674 -1.931 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.631 -2.863 -7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.334 -3.823 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.932 -4.338 -6.429 1.00 0.00 H new ATOM 399 N ILE A 29 -9.982 -3.112 -0.895 1.00 0.00 N ATOM 400 CA ILE A 29 -8.493 -3.219 -0.864 1.00 0.00 C ATOM 401 C ILE A 29 -7.996 -4.065 -2.039 1.00 0.00 C ATOM 402 O ILE A 29 -8.589 -5.063 -2.395 1.00 0.00 O ATOM 403 CB ILE A 29 -8.170 -3.904 0.464 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.657 -4.098 0.579 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.865 -5.266 0.519 1.00 0.00 C ATOM 406 CD1 ILE A 29 -6.263 -4.199 2.054 1.00 0.00 C ATOM 0 H ILE A 29 -10.484 -3.931 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.010 -2.246 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.522 -3.285 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.355 -5.001 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.136 -3.263 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.634 -5.754 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.943 -5.128 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.513 -5.887 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.185 -4.337 2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.551 -3.284 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.772 -5.048 2.509 1.00 0.00 H new ATOM 418 N LEU A 30 -6.907 -3.673 -2.645 1.00 0.00 N ATOM 419 CA LEU A 30 -6.372 -4.455 -3.796 1.00 0.00 C ATOM 420 C LEU A 30 -4.994 -5.030 -3.452 1.00 0.00 C ATOM 421 O LEU A 30 -4.585 -6.044 -3.980 1.00 0.00 O ATOM 422 CB LEU A 30 -6.261 -3.448 -4.942 1.00 0.00 C ATOM 423 CG LEU A 30 -7.654 -2.934 -5.313 1.00 0.00 C ATOM 424 CD1 LEU A 30 -7.543 -1.509 -5.855 1.00 0.00 C ATOM 425 CD2 LEU A 30 -8.264 -3.841 -6.383 1.00 0.00 C ATOM 0 H LEU A 30 -6.366 -2.846 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.012 -5.298 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.622 -2.616 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.793 -3.917 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.291 -2.938 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.535 -1.142 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.108 -0.863 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.907 -1.505 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.256 -3.475 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.628 -3.838 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.343 -4.857 -5.997 1.00 0.00 H new ATOM 437 N VAL A 31 -4.275 -4.386 -2.573 1.00 0.00 N ATOM 438 CA VAL A 31 -2.923 -4.896 -2.199 1.00 0.00 C ATOM 439 C VAL A 31 -3.043 -5.990 -1.136 1.00 0.00 C ATOM 440 O VAL A 31 -4.008 -6.051 -0.399 1.00 0.00 O ATOM 441 CB VAL A 31 -2.183 -3.682 -1.635 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.934 -3.150 -0.413 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.767 -4.091 -1.224 1.00 0.00 C ATOM 0 H VAL A 31 -4.564 -3.531 -2.098 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.400 -5.335 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.129 -2.904 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.407 -2.285 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.943 -2.857 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.988 -3.928 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.240 -3.225 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.820 -4.869 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.231 -4.470 -2.094 1.00 0.00 H new ATOM 453 N LYS A 32 -2.069 -6.856 -1.051 1.00 0.00 N ATOM 454 CA LYS A 32 -2.127 -7.945 -0.033 1.00 0.00 C ATOM 455 C LYS A 32 -0.764 -8.109 0.646 1.00 0.00 C ATOM 456 O LYS A 32 0.252 -7.685 0.131 1.00 0.00 O ATOM 457 CB LYS A 32 -2.489 -9.204 -0.822 1.00 0.00 C ATOM 458 CG LYS A 32 -3.686 -9.890 -0.163 1.00 0.00 C ATOM 459 CD LYS A 32 -4.979 -9.213 -0.620 1.00 0.00 C ATOM 460 CE LYS A 32 -5.478 -9.877 -1.906 1.00 0.00 C ATOM 461 NZ LYS A 32 -6.397 -8.880 -2.522 1.00 0.00 N ATOM 0 H LYS A 32 -1.237 -6.857 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.850 -7.736 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.727 -8.944 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.638 -9.884 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.704 -10.947 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.598 -9.835 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.737 -9.290 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.805 -8.151 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.650 -10.116 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.996 -10.812 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.780 -9.263 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.178 -8.677 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.875 -8.003 -2.721 1.00 0.00 H new ATOM 475 N GLU A 33 -0.735 -8.720 1.799 1.00 0.00 N ATOM 476 CA GLU A 33 0.563 -8.909 2.510 1.00 0.00 C ATOM 477 C GLU A 33 1.450 -9.891 1.741 1.00 0.00 C ATOM 478 O GLU A 33 1.074 -11.020 1.495 1.00 0.00 O ATOM 479 CB GLU A 33 0.192 -9.485 3.876 1.00 0.00 C ATOM 480 CG GLU A 33 1.413 -9.440 4.797 1.00 0.00 C ATOM 481 CD GLU A 33 0.979 -9.695 6.241 1.00 0.00 C ATOM 482 OE1 GLU A 33 -0.198 -9.537 6.522 1.00 0.00 O ATOM 483 OE2 GLU A 33 1.829 -10.045 7.042 1.00 0.00 O ATOM 0 H GLU A 33 -1.552 -9.096 2.279 1.00 0.00 H new ATOM 0 HA GLU A 33 1.120 -7.977 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.628 -8.914 4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.157 -10.512 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.141 -10.190 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.903 -8.469 4.720 1.00 0.00 H new ATOM 490 N GLY A 34 2.624 -9.469 1.360 1.00 0.00 N ATOM 491 CA GLY A 34 3.533 -10.377 0.607 1.00 0.00 C ATOM 492 C GLY A 34 3.486 -10.048 -0.889 1.00 0.00 C ATOM 493 O GLY A 34 4.189 -10.645 -1.681 1.00 0.00 O ATOM 0 H GLY A 34 2.993 -8.535 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.553 -10.273 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.239 -11.414 0.769 1.00 0.00 H new ATOM 497 N ASP A 35 2.672 -9.107 -1.291 1.00 0.00 N ATOM 498 CA ASP A 35 2.600 -8.756 -2.737 1.00 0.00 C ATOM 499 C ASP A 35 3.559 -7.603 -3.045 1.00 0.00 C ATOM 500 O ASP A 35 3.519 -6.563 -2.417 1.00 0.00 O ATOM 501 CB ASP A 35 1.151 -8.329 -2.973 1.00 0.00 C ATOM 502 CG ASP A 35 0.508 -9.259 -4.003 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.804 -9.107 -5.177 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.269 -10.109 -3.600 1.00 0.00 O ATOM 0 H ASP A 35 2.056 -8.569 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 35 2.885 -9.589 -3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.593 -8.364 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.117 -7.298 -3.326 1.00 0.00 H new ATOM 509 N THR A 36 4.423 -7.779 -4.007 1.00 0.00 N ATOM 510 CA THR A 36 5.384 -6.692 -4.353 1.00 0.00 C ATOM 511 C THR A 36 4.631 -5.471 -4.885 1.00 0.00 C ATOM 512 O THR A 36 3.876 -5.559 -5.833 1.00 0.00 O ATOM 513 CB THR A 36 6.279 -7.290 -5.441 1.00 0.00 C ATOM 514 OG1 THR A 36 6.734 -8.571 -5.027 1.00 0.00 O ATOM 515 CG2 THR A 36 7.480 -6.373 -5.678 1.00 0.00 C ATOM 0 H THR A 36 4.506 -8.627 -4.568 1.00 0.00 H new ATOM 0 HA THR A 36 5.960 -6.357 -3.490 1.00 0.00 H new ATOM 0 HB THR A 36 5.711 -7.387 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.306 -8.956 -5.724 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.117 -6.800 -6.453 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.131 -5.391 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.050 -6.274 -4.754 1.00 0.00 H new ATOM 523 N VAL A 37 4.827 -4.331 -4.279 1.00 0.00 N ATOM 524 CA VAL A 37 4.119 -3.105 -4.749 1.00 0.00 C ATOM 525 C VAL A 37 5.047 -2.261 -5.626 1.00 0.00 C ATOM 526 O VAL A 37 6.239 -2.194 -5.400 1.00 0.00 O ATOM 527 CB VAL A 37 3.751 -2.345 -3.475 1.00 0.00 C ATOM 528 CG1 VAL A 37 5.025 -1.997 -2.702 1.00 0.00 C ATOM 529 CG2 VAL A 37 3.012 -1.058 -3.844 1.00 0.00 C ATOM 0 H VAL A 37 5.446 -4.195 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 37 3.241 -3.342 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 37 3.108 -2.968 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.763 -1.455 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.552 -2.914 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.669 -1.374 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.749 -0.516 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.655 -0.435 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.104 -1.305 -4.394 1.00 0.00 H new ATOM 539 N LYS A 38 4.511 -1.614 -6.624 1.00 0.00 N ATOM 540 CA LYS A 38 5.364 -0.772 -7.512 1.00 0.00 C ATOM 541 C LYS A 38 4.920 0.691 -7.435 1.00 0.00 C ATOM 542 O LYS A 38 3.746 0.997 -7.497 1.00 0.00 O ATOM 543 CB LYS A 38 5.143 -1.328 -8.918 1.00 0.00 C ATOM 544 CG LYS A 38 6.347 -0.986 -9.798 1.00 0.00 C ATOM 545 CD LYS A 38 5.955 0.093 -10.810 1.00 0.00 C ATOM 546 CE LYS A 38 6.446 -0.310 -12.203 1.00 0.00 C ATOM 547 NZ LYS A 38 5.704 0.576 -13.142 1.00 0.00 N ATOM 0 H LYS A 38 3.520 -1.631 -6.864 1.00 0.00 H new ATOM 0 HA LYS A 38 6.415 -0.801 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.005 -2.408 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.234 -0.908 -9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.174 -0.636 -9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.694 -1.878 -10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.873 0.223 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.389 1.051 -10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.523 -0.172 -12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.240 -1.361 -12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.986 0.360 -14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.682 0.418 -13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.925 1.570 -12.929 1.00 0.00 H new ATOM 561 N ALA A 39 5.849 1.598 -7.297 1.00 0.00 N ATOM 562 CA ALA A 39 5.474 3.039 -7.216 1.00 0.00 C ATOM 563 C ALA A 39 4.625 3.434 -8.427 1.00 0.00 C ATOM 564 O ALA A 39 5.046 3.309 -9.560 1.00 0.00 O ATOM 565 CB ALA A 39 6.800 3.797 -7.224 1.00 0.00 C ATOM 0 H ALA A 39 6.849 1.404 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 39 4.884 3.261 -6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.607 4.868 -7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.400 3.490 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.341 3.574 -8.144 1.00 0.00 H new ATOM 571 N GLY A 40 3.434 3.913 -8.196 1.00 0.00 N ATOM 572 CA GLY A 40 2.560 4.319 -9.333 1.00 0.00 C ATOM 573 C GLY A 40 1.536 3.218 -9.620 1.00 0.00 C ATOM 574 O GLY A 40 0.939 3.179 -10.678 1.00 0.00 O ATOM 0 H GLY A 40 3.028 4.041 -7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.048 5.251 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.165 4.505 -10.220 1.00 0.00 H new ATOM 578 N GLN A 41 1.322 2.327 -8.691 1.00 0.00 N ATOM 579 CA GLN A 41 0.332 1.237 -8.922 1.00 0.00 C ATOM 580 C GLN A 41 -0.800 1.325 -7.895 1.00 0.00 C ATOM 581 O GLN A 41 -0.578 1.231 -6.704 1.00 0.00 O ATOM 582 CB GLN A 41 1.122 -0.062 -8.744 1.00 0.00 C ATOM 583 CG GLN A 41 0.455 -1.181 -9.546 1.00 0.00 C ATOM 584 CD GLN A 41 0.233 -2.396 -8.644 1.00 0.00 C ATOM 585 OE1 GLN A 41 -0.891 -2.787 -8.397 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.265 -3.015 -8.137 1.00 0.00 N ATOM 0 H GLN A 41 1.788 2.306 -7.784 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.129 1.300 -9.908 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.150 0.077 -9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.164 -0.332 -7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.497 -0.836 -9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.080 -1.456 -10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.209 -2.687 -8.344 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.128 -3.826 -7.534 1.00 0.00 H new ATOM 595 N THR A 42 -2.013 1.504 -8.346 1.00 0.00 N ATOM 596 CA THR A 42 -3.158 1.596 -7.394 1.00 0.00 C ATOM 597 C THR A 42 -3.155 0.389 -6.453 1.00 0.00 C ATOM 598 O THR A 42 -3.194 -0.746 -6.885 1.00 0.00 O ATOM 599 CB THR A 42 -4.407 1.588 -8.278 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.399 2.735 -9.116 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.660 1.605 -7.399 1.00 0.00 C ATOM 0 H THR A 42 -2.260 1.590 -9.332 1.00 0.00 H new ATOM 0 HA THR A 42 -3.109 2.487 -6.768 1.00 0.00 H new ATOM 0 HB THR A 42 -4.411 0.688 -8.892 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.801 3.413 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.548 1.599 -8.031 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.666 0.724 -6.757 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.660 2.504 -6.782 1.00 0.00 H new ATOM 609 N VAL A 43 -3.099 0.622 -5.171 1.00 0.00 N ATOM 610 CA VAL A 43 -3.083 -0.518 -4.209 1.00 0.00 C ATOM 611 C VAL A 43 -4.353 -0.529 -3.356 1.00 0.00 C ATOM 612 O VAL A 43 -4.740 -1.552 -2.826 1.00 0.00 O ATOM 613 CB VAL A 43 -1.848 -0.298 -3.328 1.00 0.00 C ATOM 614 CG1 VAL A 43 -0.585 -0.546 -4.154 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.835 1.136 -2.788 1.00 0.00 C ATOM 0 H VAL A 43 -3.064 1.549 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.046 -1.476 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.880 -0.992 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.295 -0.390 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.589 -1.571 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.559 0.146 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.954 1.282 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.809 1.838 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.733 1.310 -2.195 1.00 0.00 H new ATOM 625 N LEU A 44 -5.005 0.593 -3.208 1.00 0.00 N ATOM 626 CA LEU A 44 -6.244 0.611 -2.374 1.00 0.00 C ATOM 627 C LEU A 44 -7.335 1.463 -3.028 1.00 0.00 C ATOM 628 O LEU A 44 -7.103 2.154 -4.000 1.00 0.00 O ATOM 629 CB LEU A 44 -5.814 1.225 -1.040 1.00 0.00 C ATOM 630 CG LEU A 44 -6.149 0.261 0.102 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.893 0.002 0.938 1.00 0.00 C ATOM 632 CD2 LEU A 44 -7.232 0.878 0.988 1.00 0.00 C ATOM 0 H LEU A 44 -4.739 1.487 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.664 -0.388 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.744 1.432 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.322 2.177 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.510 -0.681 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.132 -0.684 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.120 -0.438 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.531 0.943 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.471 0.193 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.871 1.820 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.127 1.062 0.394 1.00 0.00 H new ATOM 644 N VAL A 45 -8.527 1.417 -2.493 1.00 0.00 N ATOM 645 CA VAL A 45 -9.642 2.224 -3.068 1.00 0.00 C ATOM 646 C VAL A 45 -10.190 3.171 -1.996 1.00 0.00 C ATOM 647 O VAL A 45 -10.689 2.743 -0.975 1.00 0.00 O ATOM 648 CB VAL A 45 -10.702 1.204 -3.485 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.876 1.927 -4.148 1.00 0.00 C ATOM 650 CG2 VAL A 45 -10.092 0.212 -4.479 1.00 0.00 C ATOM 0 H VAL A 45 -8.776 0.853 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.327 2.837 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.055 0.669 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.631 1.199 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.312 2.635 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.523 2.463 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.847 -0.516 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.739 0.749 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.255 -0.305 -4.010 1.00 0.00 H new ATOM 660 N LEU A 46 -10.090 4.453 -2.213 1.00 0.00 N ATOM 661 CA LEU A 46 -10.595 5.420 -1.195 1.00 0.00 C ATOM 662 C LEU A 46 -11.878 6.100 -1.680 1.00 0.00 C ATOM 663 O LEU A 46 -12.080 6.300 -2.861 1.00 0.00 O ATOM 664 CB LEU A 46 -9.471 6.446 -1.038 1.00 0.00 C ATOM 665 CG LEU A 46 -9.813 7.412 0.098 1.00 0.00 C ATOM 666 CD1 LEU A 46 -9.120 6.955 1.384 1.00 0.00 C ATOM 667 CD2 LEU A 46 -9.330 8.817 -0.267 1.00 0.00 C ATOM 0 H LEU A 46 -9.682 4.873 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.842 4.930 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.529 5.939 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.335 6.997 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.892 7.425 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.364 7.643 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.461 5.953 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.041 6.943 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.573 9.507 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.251 8.803 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.822 9.144 -1.183 1.00 0.00 H new ATOM 679 N GLU A 47 -12.742 6.462 -0.772 1.00 0.00 N ATOM 680 CA GLU A 47 -14.012 7.136 -1.170 1.00 0.00 C ATOM 681 C GLU A 47 -14.232 8.386 -0.312 1.00 0.00 C ATOM 682 O GLU A 47 -15.265 8.555 0.303 1.00 0.00 O ATOM 683 CB GLU A 47 -15.110 6.106 -0.901 1.00 0.00 C ATOM 684 CG GLU A 47 -16.411 6.565 -1.563 1.00 0.00 C ATOM 685 CD GLU A 47 -16.400 6.171 -3.041 1.00 0.00 C ATOM 686 OE1 GLU A 47 -15.327 5.910 -3.558 1.00 0.00 O ATOM 687 OE2 GLU A 47 -17.467 6.137 -3.631 1.00 0.00 O ATOM 0 H GLU A 47 -12.624 6.320 0.231 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.001 7.457 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.814 5.132 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.257 5.987 0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.266 6.112 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.520 7.645 -1.465 1.00 0.00 H new ATOM 694 N ALA A 48 -13.263 9.260 -0.263 1.00 0.00 N ATOM 695 CA ALA A 48 -13.415 10.493 0.558 1.00 0.00 C ATOM 696 C ALA A 48 -14.212 11.551 -0.210 1.00 0.00 C ATOM 697 O ALA A 48 -14.837 11.266 -1.212 1.00 0.00 O ATOM 698 CB ALA A 48 -11.988 10.977 0.812 1.00 0.00 C ATOM 0 H ALA A 48 -12.374 9.173 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 48 -13.955 10.305 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.014 11.886 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.431 10.206 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.500 11.185 -0.140 1.00 0.00 H new ATOM 704 N MET A 49 -14.198 12.769 0.256 1.00 0.00 N ATOM 705 CA MET A 49 -14.955 13.845 -0.443 1.00 0.00 C ATOM 706 C MET A 49 -14.392 14.067 -1.849 1.00 0.00 C ATOM 707 O MET A 49 -15.124 14.281 -2.794 1.00 0.00 O ATOM 708 CB MET A 49 -14.754 15.093 0.417 1.00 0.00 C ATOM 709 CG MET A 49 -15.813 15.131 1.521 1.00 0.00 C ATOM 710 SD MET A 49 -15.219 16.151 2.893 1.00 0.00 S ATOM 711 CE MET A 49 -16.836 16.736 3.455 1.00 0.00 C ATOM 0 H MET A 49 -13.694 13.066 1.092 1.00 0.00 H new ATOM 0 HA MET A 49 -16.009 13.595 -0.561 1.00 0.00 H new ATOM 0 HB2 MET A 49 -13.756 15.088 0.856 1.00 0.00 H new ATOM 0 HB3 MET A 49 -14.826 15.988 -0.201 1.00 0.00 H new ATOM 0 HG2 MET A 49 -16.746 15.536 1.130 1.00 0.00 H new ATOM 0 HG3 MET A 49 -16.026 14.121 1.871 1.00 0.00 H new ATOM 0 HE1 MET A 49 -16.706 17.396 4.313 1.00 0.00 H new ATOM 0 HE2 MET A 49 -17.326 17.282 2.649 1.00 0.00 H new ATOM 0 HE3 MET A 49 -17.452 15.884 3.742 1.00 0.00 H new ATOM 721 N LYS A 50 -13.095 14.023 -1.996 1.00 0.00 N ATOM 722 CA LYS A 50 -12.492 14.235 -3.343 1.00 0.00 C ATOM 723 C LYS A 50 -12.717 13.008 -4.233 1.00 0.00 C ATOM 724 O LYS A 50 -12.546 13.066 -5.435 1.00 0.00 O ATOM 725 CB LYS A 50 -10.999 14.445 -3.084 1.00 0.00 C ATOM 726 CG LYS A 50 -10.402 13.180 -2.463 1.00 0.00 C ATOM 727 CD LYS A 50 -9.347 13.571 -1.427 1.00 0.00 C ATOM 728 CE LYS A 50 -7.957 13.503 -2.063 1.00 0.00 C ATOM 729 NZ LYS A 50 -7.340 14.830 -1.784 1.00 0.00 N ATOM 0 H LYS A 50 -12.429 13.850 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.939 15.083 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.487 14.680 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.851 15.294 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.187 12.587 -1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.954 12.558 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.541 14.578 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.399 12.901 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.365 12.695 -1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.022 13.315 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.383 14.860 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.921 15.580 -2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.285 14.978 -0.756 1.00 0.00 H new ATOM 743 N MET A 51 -13.096 11.898 -3.658 1.00 0.00 N ATOM 744 CA MET A 51 -13.328 10.675 -4.482 1.00 0.00 C ATOM 745 C MET A 51 -12.083 10.358 -5.317 1.00 0.00 C ATOM 746 O MET A 51 -12.046 10.592 -6.508 1.00 0.00 O ATOM 747 CB MET A 51 -14.510 11.026 -5.387 1.00 0.00 C ATOM 748 CG MET A 51 -15.076 9.750 -6.014 1.00 0.00 C ATOM 749 SD MET A 51 -16.760 10.063 -6.597 1.00 0.00 S ATOM 750 CE MET A 51 -16.378 11.489 -7.644 1.00 0.00 C ATOM 0 H MET A 51 -13.255 11.785 -2.657 1.00 0.00 H new ATOM 0 HA MET A 51 -13.532 9.796 -3.871 1.00 0.00 H new ATOM 0 HB2 MET A 51 -15.284 11.534 -4.811 1.00 0.00 H new ATOM 0 HB3 MET A 51 -14.190 11.716 -6.168 1.00 0.00 H new ATOM 0 HG2 MET A 51 -14.446 9.429 -6.843 1.00 0.00 H new ATOM 0 HG3 MET A 51 -15.077 8.942 -5.283 1.00 0.00 H new ATOM 0 HE1 MET A 51 -17.152 11.600 -8.404 1.00 0.00 H new ATOM 0 HE2 MET A 51 -16.338 12.390 -7.032 1.00 0.00 H new ATOM 0 HE3 MET A 51 -15.413 11.337 -8.128 1.00 0.00 H new ATOM 760 N GLU A 52 -11.062 9.827 -4.699 1.00 0.00 N ATOM 761 CA GLU A 52 -9.819 9.496 -5.455 1.00 0.00 C ATOM 762 C GLU A 52 -9.869 8.048 -5.950 1.00 0.00 C ATOM 763 O GLU A 52 -9.376 7.732 -7.013 1.00 0.00 O ATOM 764 CB GLU A 52 -8.684 9.680 -4.447 1.00 0.00 C ATOM 765 CG GLU A 52 -7.399 10.055 -5.187 1.00 0.00 C ATOM 766 CD GLU A 52 -7.571 11.423 -5.852 1.00 0.00 C ATOM 767 OE1 GLU A 52 -8.124 12.303 -5.214 1.00 0.00 O ATOM 768 OE2 GLU A 52 -7.146 11.566 -6.986 1.00 0.00 O ATOM 0 H GLU A 52 -11.035 9.608 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.690 10.126 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.943 10.459 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.535 8.761 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.561 10.080 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.167 9.301 -5.939 1.00 0.00 H new ATOM 775 N THR A 53 -10.464 7.172 -5.184 1.00 0.00 N ATOM 776 CA THR A 53 -10.562 5.737 -5.596 1.00 0.00 C ATOM 777 C THR A 53 -9.171 5.145 -5.863 1.00 0.00 C ATOM 778 O THR A 53 -8.591 4.505 -5.014 1.00 0.00 O ATOM 779 CB THR A 53 -11.410 5.741 -6.873 1.00 0.00 C ATOM 780 OG1 THR A 53 -12.723 6.181 -6.562 1.00 0.00 O ATOM 781 CG2 THR A 53 -11.469 4.326 -7.456 1.00 0.00 C ATOM 0 H THR A 53 -10.890 7.389 -4.283 1.00 0.00 H new ATOM 0 HA THR A 53 -11.009 5.122 -4.815 1.00 0.00 H new ATOM 0 HB THR A 53 -10.962 6.413 -7.605 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.268 6.186 -7.377 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.072 4.331 -8.364 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.460 3.988 -7.693 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.916 3.650 -6.727 1.00 0.00 H new ATOM 789 N GLU A 54 -8.639 5.338 -7.037 1.00 0.00 N ATOM 790 CA GLU A 54 -7.296 4.768 -7.349 1.00 0.00 C ATOM 791 C GLU A 54 -6.236 5.285 -6.370 1.00 0.00 C ATOM 792 O GLU A 54 -5.693 6.360 -6.539 1.00 0.00 O ATOM 793 CB GLU A 54 -6.989 5.245 -8.769 1.00 0.00 C ATOM 794 CG GLU A 54 -7.624 4.286 -9.779 1.00 0.00 C ATOM 795 CD GLU A 54 -7.329 4.774 -11.200 1.00 0.00 C ATOM 796 OE1 GLU A 54 -6.173 5.039 -11.486 1.00 0.00 O ATOM 797 OE2 GLU A 54 -8.264 4.873 -11.977 1.00 0.00 O ATOM 0 H GLU A 54 -9.074 5.865 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.288 3.681 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.375 6.253 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.911 5.291 -8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.229 3.280 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.701 4.231 -9.618 1.00 0.00 H new ATOM 804 N ILE A 55 -5.922 4.522 -5.355 1.00 0.00 N ATOM 805 CA ILE A 55 -4.881 4.965 -4.380 1.00 0.00 C ATOM 806 C ILE A 55 -3.530 4.349 -4.759 1.00 0.00 C ATOM 807 O ILE A 55 -3.193 3.259 -4.336 1.00 0.00 O ATOM 808 CB ILE A 55 -5.349 4.446 -3.014 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.613 5.196 -2.582 1.00 0.00 C ATOM 810 CG2 ILE A 55 -4.250 4.674 -1.970 1.00 0.00 C ATOM 811 CD1 ILE A 55 -6.334 6.699 -2.549 1.00 0.00 C ATOM 0 H ILE A 55 -6.341 3.613 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.755 6.048 -4.370 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.564 3.380 -3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.428 4.983 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.932 4.854 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.586 4.304 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.348 4.140 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.034 5.740 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.235 7.230 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.532 6.905 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.036 7.036 -3.542 1.00 0.00 H new ATOM 823 N ASN A 56 -2.762 5.041 -5.560 1.00 0.00 N ATOM 824 CA ASN A 56 -1.434 4.507 -5.982 1.00 0.00 C ATOM 825 C ASN A 56 -0.513 4.330 -4.772 1.00 0.00 C ATOM 826 O ASN A 56 -0.465 5.159 -3.885 1.00 0.00 O ATOM 827 CB ASN A 56 -0.868 5.563 -6.932 1.00 0.00 C ATOM 828 CG ASN A 56 -1.852 5.799 -8.079 1.00 0.00 C ATOM 829 OD1 ASN A 56 -2.722 4.988 -8.325 1.00 0.00 O ATOM 830 ND2 ASN A 56 -1.749 6.883 -8.798 1.00 0.00 N ATOM 0 H ASN A 56 -2.999 5.957 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.520 3.529 -6.456 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.691 6.494 -6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.094 5.235 -7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.399 7.049 -9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.019 7.564 -8.592 1.00 0.00 H new ATOM 837 N ALA A 57 0.220 3.251 -4.736 1.00 0.00 N ATOM 838 CA ALA A 57 1.145 3.010 -3.589 1.00 0.00 C ATOM 839 C ALA A 57 2.082 4.211 -3.396 1.00 0.00 C ATOM 840 O ALA A 57 2.161 5.072 -4.249 1.00 0.00 O ATOM 841 CB ALA A 57 1.947 1.770 -3.984 1.00 0.00 C ATOM 0 H ALA A 57 0.219 2.524 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 57 0.608 2.872 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.653 1.525 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.268 0.931 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.493 1.968 -4.907 1.00 0.00 H new ATOM 847 N PRO A 58 2.766 4.227 -2.277 1.00 0.00 N ATOM 848 CA PRO A 58 3.706 5.336 -1.980 1.00 0.00 C ATOM 849 C PRO A 58 4.984 5.192 -2.813 1.00 0.00 C ATOM 850 O PRO A 58 5.566 6.167 -3.248 1.00 0.00 O ATOM 851 CB PRO A 58 4.008 5.164 -0.495 1.00 0.00 C ATOM 852 CG PRO A 58 3.764 3.715 -0.210 1.00 0.00 C ATOM 853 CD PRO A 58 2.729 3.232 -1.194 1.00 0.00 C ATOM 0 HA PRO A 58 3.296 6.318 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.037 5.442 -0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.364 5.799 0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.686 3.143 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.414 3.578 0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.966 2.234 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.741 3.177 -0.737 1.00 0.00 H new ATOM 861 N THR A 59 5.426 3.983 -3.038 1.00 0.00 N ATOM 862 CA THR A 59 6.668 3.778 -3.841 1.00 0.00 C ATOM 863 C THR A 59 6.789 2.311 -4.267 1.00 0.00 C ATOM 864 O THR A 59 5.819 1.579 -4.293 1.00 0.00 O ATOM 865 CB THR A 59 7.816 4.159 -2.904 1.00 0.00 C ATOM 866 OG1 THR A 59 9.055 3.939 -3.562 1.00 0.00 O ATOM 867 CG2 THR A 59 7.750 3.304 -1.638 1.00 0.00 C ATOM 0 H THR A 59 4.981 3.129 -2.701 1.00 0.00 H new ATOM 0 HA THR A 59 6.671 4.375 -4.753 1.00 0.00 H new ATOM 0 HB THR A 59 7.730 5.211 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.791 4.184 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.568 3.577 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.799 3.474 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.835 2.251 -1.905 1.00 0.00 H new ATOM 875 N ASP A 60 7.975 1.877 -4.604 1.00 0.00 N ATOM 876 CA ASP A 60 8.157 0.458 -5.031 1.00 0.00 C ATOM 877 C ASP A 60 8.732 -0.377 -3.882 1.00 0.00 C ATOM 878 O ASP A 60 9.496 0.109 -3.072 1.00 0.00 O ATOM 879 CB ASP A 60 9.147 0.520 -6.196 1.00 0.00 C ATOM 880 CG ASP A 60 10.456 1.155 -5.723 1.00 0.00 C ATOM 881 OD1 ASP A 60 10.431 2.323 -5.370 1.00 0.00 O ATOM 882 OD2 ASP A 60 11.461 0.464 -5.722 1.00 0.00 O ATOM 0 H ASP A 60 8.824 2.442 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 60 7.215 -0.009 -5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.335 -0.482 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.724 1.101 -7.015 1.00 0.00 H new ATOM 887 N GLY A 61 8.372 -1.629 -3.809 1.00 0.00 N ATOM 888 CA GLY A 61 8.899 -2.496 -2.716 1.00 0.00 C ATOM 889 C GLY A 61 7.920 -3.644 -2.458 1.00 0.00 C ATOM 890 O GLY A 61 7.218 -4.083 -3.346 1.00 0.00 O ATOM 0 H GLY A 61 7.735 -2.090 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.876 -2.892 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.037 -1.910 -1.807 1.00 0.00 H new ATOM 894 N LYS A 62 7.868 -4.130 -1.249 1.00 0.00 N ATOM 895 CA LYS A 62 6.930 -5.248 -0.934 1.00 0.00 C ATOM 896 C LYS A 62 6.112 -4.907 0.312 1.00 0.00 C ATOM 897 O LYS A 62 6.569 -4.207 1.193 1.00 0.00 O ATOM 898 CB LYS A 62 7.826 -6.459 -0.673 1.00 0.00 C ATOM 899 CG LYS A 62 6.980 -7.734 -0.709 1.00 0.00 C ATOM 900 CD LYS A 62 7.898 -8.956 -0.757 1.00 0.00 C ATOM 901 CE LYS A 62 8.241 -9.392 0.670 1.00 0.00 C ATOM 902 NZ LYS A 62 7.906 -10.843 0.719 1.00 0.00 N ATOM 0 H LYS A 62 8.433 -3.803 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 62 6.222 -5.435 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.614 -6.511 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.315 -6.361 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.339 -7.782 0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.325 -7.724 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.409 -9.771 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.810 -8.718 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.294 -9.222 0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.665 -8.829 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.114 -11.215 1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.896 -10.973 0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.474 -11.354 0.014 1.00 0.00 H new ATOM 916 N VAL A 63 4.903 -5.390 0.392 1.00 0.00 N ATOM 917 CA VAL A 63 4.060 -5.085 1.582 1.00 0.00 C ATOM 918 C VAL A 63 4.438 -5.999 2.752 1.00 0.00 C ATOM 919 O VAL A 63 4.165 -7.184 2.743 1.00 0.00 O ATOM 920 CB VAL A 63 2.618 -5.342 1.123 1.00 0.00 C ATOM 921 CG1 VAL A 63 1.675 -5.405 2.332 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.172 -4.202 0.210 1.00 0.00 C ATOM 0 H VAL A 63 4.463 -5.981 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 63 4.194 -4.062 1.935 1.00 0.00 H new ATOM 0 HB VAL A 63 2.582 -6.292 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.656 -5.588 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.986 -6.213 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.712 -4.459 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.148 -4.379 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.220 -3.259 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.829 -4.153 -0.658 1.00 0.00 H new ATOM 932 N GLU A 64 5.041 -5.452 3.768 1.00 0.00 N ATOM 933 CA GLU A 64 5.410 -6.282 4.946 1.00 0.00 C ATOM 934 C GLU A 64 4.168 -6.519 5.815 1.00 0.00 C ATOM 935 O GLU A 64 4.169 -7.347 6.703 1.00 0.00 O ATOM 936 CB GLU A 64 6.448 -5.455 5.706 1.00 0.00 C ATOM 937 CG GLU A 64 7.610 -5.113 4.771 1.00 0.00 C ATOM 938 CD GLU A 64 8.899 -4.981 5.583 1.00 0.00 C ATOM 939 OE1 GLU A 64 8.858 -4.347 6.625 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.906 -5.518 5.151 1.00 0.00 O ATOM 0 H GLU A 64 5.294 -4.466 3.834 1.00 0.00 H new ATOM 0 HA GLU A 64 5.802 -7.259 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.993 -4.541 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.813 -6.013 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.722 -5.890 4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.404 -4.182 4.243 1.00 0.00 H new ATOM 947 N LYS A 65 3.104 -5.795 5.561 1.00 0.00 N ATOM 948 CA LYS A 65 1.859 -5.972 6.364 1.00 0.00 C ATOM 949 C LYS A 65 0.782 -5.007 5.858 1.00 0.00 C ATOM 950 O LYS A 65 1.032 -4.182 5.001 1.00 0.00 O ATOM 951 CB LYS A 65 2.250 -5.632 7.804 1.00 0.00 C ATOM 952 CG LYS A 65 1.784 -6.750 8.737 1.00 0.00 C ATOM 953 CD LYS A 65 2.773 -6.897 9.895 1.00 0.00 C ATOM 954 CE LYS A 65 2.006 -6.958 11.218 1.00 0.00 C ATOM 955 NZ LYS A 65 2.985 -7.488 12.207 1.00 0.00 N ATOM 0 H LYS A 65 3.047 -5.087 4.829 1.00 0.00 H new ATOM 0 HA LYS A 65 1.456 -6.982 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.330 -5.508 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.799 -4.685 8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.789 -6.526 9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.709 -7.689 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.369 -7.801 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.467 -6.056 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.644 -5.972 11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.134 -7.607 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.532 -7.559 13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.307 -8.430 11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.801 -6.846 12.266 1.00 0.00 H new ATOM 969 N VAL A 66 -0.410 -5.098 6.378 1.00 0.00 N ATOM 970 CA VAL A 66 -1.488 -4.176 5.915 1.00 0.00 C ATOM 971 C VAL A 66 -2.072 -3.405 7.103 1.00 0.00 C ATOM 972 O VAL A 66 -2.999 -3.847 7.750 1.00 0.00 O ATOM 973 CB VAL A 66 -2.545 -5.082 5.282 1.00 0.00 C ATOM 974 CG1 VAL A 66 -1.932 -5.824 4.095 1.00 0.00 C ATOM 975 CG2 VAL A 66 -3.041 -6.094 6.315 1.00 0.00 C ATOM 0 H VAL A 66 -0.685 -5.765 7.099 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.120 -3.432 5.208 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.384 -4.476 4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.684 -6.470 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.582 -5.103 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.093 -6.429 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.794 -6.738 5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.204 -6.701 6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.479 -5.565 7.162 1.00 0.00 H new ATOM 985 N LEU A 67 -1.534 -2.251 7.391 1.00 0.00 N ATOM 986 CA LEU A 67 -2.056 -1.449 8.535 1.00 0.00 C ATOM 987 C LEU A 67 -3.529 -1.097 8.309 1.00 0.00 C ATOM 988 O LEU A 67 -4.290 -0.947 9.244 1.00 0.00 O ATOM 989 CB LEU A 67 -1.201 -0.181 8.550 1.00 0.00 C ATOM 990 CG LEU A 67 -0.313 -0.175 9.795 1.00 0.00 C ATOM 991 CD1 LEU A 67 0.797 0.865 9.626 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.156 0.175 11.024 1.00 0.00 C ATOM 0 H LEU A 67 -0.756 -1.829 6.884 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.001 -1.992 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.585 -0.135 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.841 0.701 8.543 1.00 0.00 H new ATOM 0 HG LEU A 67 0.130 -1.162 9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.430 0.869 10.513 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.399 0.616 8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.354 1.852 9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.522 0.179 11.911 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.601 1.161 10.891 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.946 -0.566 11.146 1.00 0.00 H new ATOM 1004 N VAL A 68 -3.934 -0.957 7.077 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.357 -0.606 6.797 1.00 0.00 C ATOM 1006 C VAL A 68 -6.129 -1.837 6.313 1.00 0.00 C ATOM 1007 O VAL A 68 -5.611 -2.659 5.583 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.297 0.457 5.698 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -4.673 -0.144 4.436 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -6.713 0.944 5.384 1.00 0.00 C ATOM 0 H VAL A 68 -3.344 -1.070 6.253 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.871 -0.244 7.687 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.689 1.296 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.631 0.614 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.664 -0.492 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.279 -0.983 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.672 1.701 4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.320 0.104 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.157 1.374 6.282 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.363 -1.965 6.710 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.174 -3.137 6.272 1.00 0.00 C ATOM 1022 C LYS A 69 -9.395 -2.662 5.480 1.00 0.00 C ATOM 1023 O LYS A 69 -9.522 -1.498 5.157 1.00 0.00 O ATOM 1024 CB LYS A 69 -8.610 -3.824 7.565 1.00 0.00 C ATOM 1025 CG LYS A 69 -7.880 -5.161 7.706 1.00 0.00 C ATOM 1026 CD LYS A 69 -8.836 -6.206 8.286 1.00 0.00 C ATOM 1027 CE LYS A 69 -8.888 -6.062 9.809 1.00 0.00 C ATOM 1028 NZ LYS A 69 -7.966 -7.111 10.325 1.00 0.00 N ATOM 0 H LYS A 69 -7.848 -1.307 7.321 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.613 -3.810 5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.389 -3.186 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.688 -3.986 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.511 -5.490 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.012 -5.047 8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.833 -6.077 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.503 -7.208 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.570 -5.068 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.901 -6.206 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.947 -7.076 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.297 -8.047 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.008 -6.944 9.956 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.294 -3.554 5.169 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.507 -3.149 4.402 1.00 0.00 C ATOM 1044 C GLU A 70 -12.586 -2.637 5.359 1.00 0.00 C ATOM 1045 O GLU A 70 -12.619 -2.992 6.520 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.975 -4.422 3.696 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.931 -4.210 2.181 1.00 0.00 C ATOM 1048 CD GLU A 70 -12.320 -5.508 1.471 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -11.583 -6.473 1.596 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -13.347 -5.516 0.812 1.00 0.00 O ATOM 0 H GLU A 70 -10.242 -4.543 5.412 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.301 -2.346 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.338 -5.261 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.988 -4.673 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.613 -3.409 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.931 -3.902 1.875 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.469 -1.802 4.880 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.548 -1.261 5.761 1.00 0.00 C ATOM 1059 C ARG A 71 -13.937 -0.535 6.963 1.00 0.00 C ATOM 1060 O ARG A 71 -14.510 -0.494 8.034 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.354 -2.479 6.217 1.00 0.00 C ATOM 1062 CG ARG A 71 -16.717 -2.021 6.738 1.00 0.00 C ATOM 1063 CD ARG A 71 -17.382 -3.161 7.512 1.00 0.00 C ATOM 1064 NE ARG A 71 -18.836 -2.842 7.490 1.00 0.00 N ATOM 1065 CZ ARG A 71 -19.592 -3.167 8.503 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -19.881 -2.280 9.414 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -20.060 -4.381 8.602 1.00 0.00 N ATOM 0 H ARG A 71 -13.491 -1.470 3.916 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.176 -0.538 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.484 -3.174 5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.815 -3.014 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.597 -1.151 7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.351 -1.715 5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.182 -4.125 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.005 -3.218 8.533 1.00 0.00 H new ATOM 0 HE ARG A 71 -19.242 -2.369 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.516 -1.331 9.335 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.472 -2.535 10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.835 -5.074 7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.651 -4.637 9.393 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.779 0.043 6.791 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.132 0.773 7.919 1.00 0.00 C ATOM 1083 C ASP A 72 -12.085 2.271 7.608 1.00 0.00 C ATOM 1084 O ASP A 72 -11.032 2.840 7.404 1.00 0.00 O ATOM 1085 CB ASP A 72 -10.719 0.197 8.007 1.00 0.00 C ATOM 1086 CG ASP A 72 -10.762 -1.155 8.724 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -11.804 -1.787 8.693 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -9.751 -1.533 9.292 1.00 0.00 O ATOM 0 H ASP A 72 -12.253 0.041 5.917 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.674 0.656 8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.301 0.077 7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.067 0.885 8.545 1.00 0.00 H new ATOM 1093 N ALA A 73 -13.221 2.911 7.564 1.00 0.00 N ATOM 1094 CA ALA A 73 -13.245 4.371 7.259 1.00 0.00 C ATOM 1095 C ALA A 73 -12.429 5.148 8.295 1.00 0.00 C ATOM 1096 O ALA A 73 -11.969 4.599 9.276 1.00 0.00 O ATOM 1097 CB ALA A 73 -14.720 4.766 7.335 1.00 0.00 C ATOM 0 H ALA A 73 -14.134 2.487 7.726 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.810 4.594 6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.823 5.830 7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.288 4.193 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.101 4.557 8.335 1.00 0.00 H new ATOM 1103 N VAL A 74 -12.247 6.423 8.083 1.00 0.00 N ATOM 1104 CA VAL A 74 -11.462 7.240 9.053 1.00 0.00 C ATOM 1105 C VAL A 74 -10.091 6.604 9.297 1.00 0.00 C ATOM 1106 O VAL A 74 -9.906 5.842 10.223 1.00 0.00 O ATOM 1107 CB VAL A 74 -12.289 7.232 10.339 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -11.558 8.035 11.418 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -13.656 7.864 10.070 1.00 0.00 C ATOM 0 H VAL A 74 -12.609 6.935 7.279 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.283 8.251 8.687 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.425 6.205 10.679 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.146 8.031 12.336 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.584 7.585 11.609 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.423 9.062 11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -14.246 7.859 10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.522 8.891 9.731 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.176 7.293 9.301 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.127 6.915 8.474 1.00 0.00 N ATOM 1120 CA GLN A 75 -7.770 6.327 8.667 1.00 0.00 C ATOM 1121 C GLN A 75 -6.706 7.426 8.610 1.00 0.00 C ATOM 1122 O GLN A 75 -5.572 7.190 8.243 1.00 0.00 O ATOM 1123 CB GLN A 75 -7.593 5.345 7.508 1.00 0.00 C ATOM 1124 CG GLN A 75 -7.651 6.103 6.181 1.00 0.00 C ATOM 1125 CD GLN A 75 -7.447 5.122 5.026 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -6.328 4.796 4.681 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -8.488 4.632 4.412 1.00 0.00 N ATOM 0 H GLN A 75 -9.219 7.548 7.679 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.666 5.835 9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -6.639 4.826 7.600 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.374 4.585 7.539 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.612 6.607 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.882 6.875 6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.427 4.906 4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.363 3.975 3.642 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.064 8.629 8.972 1.00 0.00 N ATOM 1137 CA GLY A 76 -6.073 9.742 8.940 1.00 0.00 C ATOM 1138 C GLY A 76 -5.260 9.738 10.235 1.00 0.00 C ATOM 1139 O GLY A 76 -5.801 9.640 11.318 1.00 0.00 O ATOM 0 H GLY A 76 -7.999 8.888 9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.411 9.629 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.586 10.697 8.823 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.964 9.846 10.133 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.119 9.848 11.360 1.00 0.00 C ATOM 1145 C GLY A 77 -2.620 8.430 11.647 1.00 0.00 C ATOM 1146 O GLY A 77 -1.639 8.236 12.336 1.00 0.00 O ATOM 0 H GLY A 77 -3.454 9.933 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.272 10.522 11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.694 10.220 12.208 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.284 7.436 11.122 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.842 6.035 11.367 1.00 0.00 C ATOM 1152 C GLN A 78 -1.996 5.536 10.193 1.00 0.00 C ATOM 1153 O GLN A 78 -2.179 5.951 9.066 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.135 5.226 11.481 1.00 0.00 C ATOM 1155 CG GLN A 78 -4.630 5.257 12.928 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.323 3.919 13.605 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -3.258 3.363 13.422 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -5.216 3.377 14.386 1.00 0.00 N ATOM 0 H GLN A 78 -4.112 7.534 10.535 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.226 5.945 12.262 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.894 5.638 10.817 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.962 4.197 11.167 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.147 6.070 13.471 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.702 5.450 12.952 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.110 3.844 14.540 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.020 2.486 14.843 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.072 4.652 10.448 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.217 4.132 9.344 1.00 0.00 C ATOM 1169 C GLY A 79 -1.099 3.497 8.270 1.00 0.00 C ATOM 1170 O GLY A 79 -2.152 2.961 8.554 1.00 0.00 O ATOM 0 H GLY A 79 -0.872 4.268 11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.372 4.942 8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.488 3.397 9.732 1.00 0.00 H new ATOM 1174 N LEU A 80 -0.679 3.551 7.036 1.00 0.00 N ATOM 1175 CA LEU A 80 -1.495 2.948 5.944 1.00 0.00 C ATOM 1176 C LEU A 80 -0.989 1.539 5.626 1.00 0.00 C ATOM 1177 O LEU A 80 -1.655 0.556 5.886 1.00 0.00 O ATOM 1178 CB LEU A 80 -1.295 3.874 4.744 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.138 5.137 4.928 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -1.608 6.241 4.011 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.595 4.835 4.572 1.00 0.00 C ATOM 0 H LEU A 80 0.193 3.986 6.736 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.547 2.855 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.242 4.138 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.582 3.363 3.825 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.078 5.465 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.208 7.142 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.570 6.457 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.668 5.912 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.196 5.735 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.655 4.506 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.973 4.048 5.224 1.00 0.00 H new ATOM 1193 N ILE A 81 0.185 1.432 5.067 1.00 0.00 N ATOM 1194 CA ILE A 81 0.732 0.085 4.733 1.00 0.00 C ATOM 1195 C ILE A 81 2.129 -0.084 5.339 1.00 0.00 C ATOM 1196 O ILE A 81 2.883 0.860 5.451 1.00 0.00 O ATOM 1197 CB ILE A 81 0.802 0.057 3.207 1.00 0.00 C ATOM 1198 CG1 ILE A 81 -0.613 0.173 2.632 1.00 0.00 C ATOM 1199 CG2 ILE A 81 1.433 -1.258 2.746 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -0.603 1.139 1.446 1.00 0.00 C ATOM 0 H ILE A 81 0.789 2.218 4.827 1.00 0.00 H new ATOM 0 HA ILE A 81 0.116 -0.722 5.129 1.00 0.00 H new ATOM 0 HB ILE A 81 1.409 0.891 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.969 -0.807 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.301 0.529 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.482 -1.276 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.439 -1.342 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.828 -2.094 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.610 1.222 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.264 2.120 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.072 0.764 0.677 1.00 0.00 H new ATOM 1212 N LYS A 82 2.477 -1.279 5.734 1.00 0.00 N ATOM 1213 CA LYS A 82 3.824 -1.504 6.335 1.00 0.00 C ATOM 1214 C LYS A 82 4.853 -1.812 5.244 1.00 0.00 C ATOM 1215 O LYS A 82 4.737 -2.784 4.523 1.00 0.00 O ATOM 1216 CB LYS A 82 3.650 -2.710 7.260 1.00 0.00 C ATOM 1217 CG LYS A 82 4.673 -2.633 8.395 1.00 0.00 C ATOM 1218 CD LYS A 82 4.035 -1.969 9.615 1.00 0.00 C ATOM 1219 CE LYS A 82 5.107 -1.705 10.676 1.00 0.00 C ATOM 1220 NZ LYS A 82 5.730 -3.034 10.932 1.00 0.00 N ATOM 0 H LYS A 82 1.888 -2.109 5.667 1.00 0.00 H new ATOM 0 HA LYS A 82 4.185 -0.626 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.639 -2.727 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.783 -3.635 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.021 -3.633 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.546 -2.065 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.558 -1.033 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.254 -2.610 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.844 -0.985 10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.670 -1.292 11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.142 -3.046 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.006 -3.777 10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.478 -3.208 10.230 1.00 0.00 H new ATOM 1234 N ILE A 83 5.861 -0.991 5.119 1.00 0.00 N ATOM 1235 CA ILE A 83 6.899 -1.237 4.077 1.00 0.00 C ATOM 1236 C ILE A 83 8.272 -0.784 4.582 1.00 0.00 C ATOM 1237 O ILE A 83 8.379 0.091 5.418 1.00 0.00 O ATOM 1238 CB ILE A 83 6.465 -0.396 2.877 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.307 1.065 3.307 1.00 0.00 C ATOM 1240 CG2 ILE A 83 5.129 -0.916 2.342 1.00 0.00 C ATOM 1241 CD1 ILE A 83 6.689 1.984 2.146 1.00 0.00 C ATOM 0 H ILE A 83 6.010 -0.161 5.693 1.00 0.00 H new ATOM 0 HA ILE A 83 6.986 -2.293 3.823 1.00 0.00 H new ATOM 0 HB ILE A 83 7.221 -0.466 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.278 1.256 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.939 1.271 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.821 -0.315 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.240 -1.956 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.373 -0.848 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.576 3.024 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 83 7.725 1.800 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.038 1.784 1.295 1.00 0.00 H new ATOM 1253 N GLY A 84 9.323 -1.373 4.081 1.00 0.00 N ATOM 1254 CA GLY A 84 10.687 -0.977 4.534 1.00 0.00 C ATOM 1255 C GLY A 84 11.617 -0.871 3.323 1.00 0.00 C ATOM 1256 O GLY A 84 12.643 -0.222 3.444 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.287 -1.440 2.297 1.00 0.00 O ATOM 0 H GLY A 84 9.296 -2.111 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.645 -0.022 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.075 -1.711 5.240 1.00 0.00 H new TER 1261 GLY A 84