USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 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 50 THR OG1 : rot -92:sc= 0.926 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.811 K(o=1.7,f=-0.08) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0.815 USER MOD Set 2.2: A 49 SER OG : rot -102:sc= 0.929 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0991 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 102:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 150:sc= 0.752 USER MOD Single : A 66 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.98) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 73 SER OG : rot 140:sc= 0.412 USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 0.598 (180deg=0.559) USER MOD Single : A 85 SER OG : rot -21:sc= 0.644 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 16 1.040 0.374 -0.952 1.00 0.00 N ATOM 2 CA PHE A 16 0.000 0.000 0.000 1.00 0.00 C ATOM 3 C PHE A 16 0.406 0.352 1.425 1.00 0.00 C ATOM 4 O PHE A 16 -0.431 0.391 2.328 1.00 0.00 O ATOM 5 CB PHE A 16 -0.308 -1.495 -0.106 1.00 0.00 C ATOM 6 CG PHE A 16 0.810 -2.379 0.367 1.00 0.00 C ATOM 7 CD1 PHE A 16 0.909 -2.744 1.701 1.00 0.00 C ATOM 8 CD2 PHE A 16 1.766 -2.848 -0.522 1.00 0.00 C ATOM 9 CE1 PHE A 16 1.938 -3.557 2.137 1.00 0.00 C ATOM 10 CE2 PHE A 16 2.795 -3.662 -0.090 1.00 0.00 C ATOM 11 CZ PHE A 16 2.881 -4.017 1.242 1.00 0.00 C ATOM 0 HA PHE A 16 -0.899 0.565 -0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.203 -1.714 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.536 -1.737 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.173 -2.389 2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.705 -2.573 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.004 -3.832 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.532 -4.021 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.685 -4.653 1.582 1.00 0.00 H new ATOM 21 N LYS A 17 1.695 0.607 1.622 1.00 0.00 N ATOM 22 CA LYS A 17 2.231 0.862 2.954 1.00 0.00 C ATOM 23 C LYS A 17 1.626 2.123 3.559 1.00 0.00 C ATOM 24 O LYS A 17 1.517 3.151 2.893 1.00 0.00 O ATOM 25 CB LYS A 17 3.755 0.981 2.904 1.00 0.00 C ATOM 26 CG LYS A 17 4.477 -0.316 2.562 1.00 0.00 C ATOM 27 CD LYS A 17 5.986 -0.123 2.549 1.00 0.00 C ATOM 28 CE LYS A 17 6.706 -1.410 2.176 1.00 0.00 C ATOM 29 NZ LYS A 17 8.183 -1.234 2.151 1.00 0.00 N ATOM 0 H LYS A 17 2.389 0.643 0.875 1.00 0.00 H new ATOM 0 HA LYS A 17 1.963 0.017 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.024 1.738 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.111 1.337 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.213 -1.084 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.146 -0.673 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.248 0.661 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.320 0.211 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.446 -2.191 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.364 -1.746 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.636 -2.134 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.434 -0.507 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.513 -0.938 3.092 1.00 0.00 H new ATOM 43 N SER A 18 1.235 2.036 4.827 1.00 0.00 N ATOM 44 CA SER A 18 0.564 3.141 5.499 1.00 0.00 C ATOM 45 C SER A 18 -0.888 2.800 5.805 1.00 0.00 C ATOM 46 O SER A 18 -1.177 1.789 6.446 1.00 0.00 O ATOM 47 CB SER A 18 0.645 4.394 4.649 1.00 0.00 C ATOM 48 OG SER A 18 0.146 5.519 5.321 1.00 0.00 O ATOM 0 H SER A 18 1.372 1.210 5.409 1.00 0.00 H new ATOM 0 HA SER A 18 1.072 3.321 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.682 4.572 4.364 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.083 4.244 3.727 1.00 0.00 H new ATOM 0 HG SER A 18 0.218 6.305 4.740 1.00 0.00 H new ATOM 54 N ARG A 19 -1.801 3.649 5.343 1.00 0.00 N ATOM 55 CA ARG A 19 -3.218 3.487 5.642 1.00 0.00 C ATOM 56 C ARG A 19 -3.771 2.213 5.017 1.00 0.00 C ATOM 57 O ARG A 19 -4.478 1.446 5.670 1.00 0.00 O ATOM 58 CB ARG A 19 -4.033 4.706 5.235 1.00 0.00 C ATOM 59 CG ARG A 19 -3.809 5.941 6.094 1.00 0.00 C ATOM 60 CD ARG A 19 -4.568 7.139 5.654 1.00 0.00 C ATOM 61 NE ARG A 19 -4.337 8.328 6.458 1.00 0.00 N ATOM 62 CZ ARG A 19 -4.879 9.536 6.211 1.00 0.00 C ATOM 63 NH1 ARG A 19 -5.652 9.731 5.165 1.00 0.00 N ATOM 64 NH2 ARG A 19 -4.594 10.529 7.035 1.00 0.00 N ATOM 0 H ARG A 19 -1.583 4.457 4.759 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.308 3.394 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.798 4.953 4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.091 4.445 5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.085 5.708 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.745 6.180 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.306 7.359 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.633 6.905 5.671 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.721 8.241 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.849 8.961 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.054 10.652 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.978 10.369 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.990 11.455 6.874 1.00 0.00 H new ATOM 78 N LEU A 20 -3.445 1.993 3.748 1.00 0.00 N ATOM 79 CA LEU A 20 -3.963 0.845 3.012 1.00 0.00 C ATOM 80 C LEU A 20 -3.447 -0.463 3.600 1.00 0.00 C ATOM 81 O LEU A 20 -4.162 -1.465 3.626 1.00 0.00 O ATOM 82 CB LEU A 20 -3.582 0.951 1.530 1.00 0.00 C ATOM 83 CG LEU A 20 -4.282 2.075 0.755 1.00 0.00 C ATOM 84 CD1 LEU A 20 -3.696 2.186 -0.646 1.00 0.00 C ATOM 85 CD2 LEU A 20 -5.776 1.798 0.695 1.00 0.00 C ATOM 0 H LEU A 20 -2.824 2.595 3.207 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.049 0.847 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.504 1.098 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.807 0.001 1.044 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.123 3.024 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.199 2.986 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.631 2.407 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.838 1.244 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.272 2.597 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.950 0.847 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.178 1.751 1.707 1.00 0.00 H new ATOM 97 N GLN A 21 -2.205 -0.447 4.069 1.00 0.00 N ATOM 98 CA GLN A 21 -1.631 -1.597 4.756 1.00 0.00 C ATOM 99 C GLN A 21 -2.399 -1.917 6.031 1.00 0.00 C ATOM 100 O GLN A 21 -2.762 -3.067 6.277 1.00 0.00 O ATOM 101 CB GLN A 21 -0.158 -1.341 5.090 1.00 0.00 C ATOM 102 CG GLN A 21 0.545 -2.518 5.745 1.00 0.00 C ATOM 103 CD GLN A 21 1.994 -2.215 6.075 1.00 0.00 C ATOM 104 OE1 GLN A 21 2.458 -1.083 5.916 1.00 0.00 O ATOM 105 NE2 GLN A 21 2.719 -3.229 6.535 1.00 0.00 N ATOM 0 H GLN A 21 -1.575 0.351 3.986 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.704 -2.453 4.086 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.371 -1.080 4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -0.092 -0.478 5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.017 -2.791 6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.499 -3.381 5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.294 -4.149 6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.701 -3.088 6.772 1.00 0.00 H new ATOM 114 N GLU A 22 -2.645 -0.893 6.841 1.00 0.00 N ATOM 115 CA GLU A 22 -3.396 -1.058 8.079 1.00 0.00 C ATOM 116 C GLU A 22 -4.822 -1.513 7.802 1.00 0.00 C ATOM 117 O GLU A 22 -5.399 -2.284 8.569 1.00 0.00 O ATOM 118 CB GLU A 22 -3.407 0.248 8.878 1.00 0.00 C ATOM 119 CG GLU A 22 -2.066 0.621 9.492 1.00 0.00 C ATOM 120 CD GLU A 22 -2.125 1.967 10.158 1.00 0.00 C ATOM 121 OE1 GLU A 22 -3.148 2.604 10.077 1.00 0.00 O ATOM 122 OE2 GLU A 22 -1.190 2.311 10.842 1.00 0.00 O ATOM 0 H GLU A 22 -2.334 0.062 6.661 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.900 -1.830 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.731 1.057 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.147 0.166 9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.775 -0.135 10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.299 0.630 8.718 1.00 0.00 H new ATOM 129 N TYR A 23 -5.388 -1.033 6.699 1.00 0.00 N ATOM 130 CA TYR A 23 -6.721 -1.446 6.279 1.00 0.00 C ATOM 131 C TYR A 23 -6.765 -2.939 5.976 1.00 0.00 C ATOM 132 O TYR A 23 -7.641 -3.655 6.460 1.00 0.00 O ATOM 133 CB TYR A 23 -7.167 -0.648 5.052 1.00 0.00 C ATOM 134 CG TYR A 23 -7.414 0.818 5.331 1.00 0.00 C ATOM 135 CD1 TYR A 23 -7.544 1.284 6.631 1.00 0.00 C ATOM 136 CD2 TYR A 23 -7.513 1.732 4.292 1.00 0.00 C ATOM 137 CE1 TYR A 23 -7.770 2.622 6.891 1.00 0.00 C ATOM 138 CE2 TYR A 23 -7.738 3.072 4.541 1.00 0.00 C ATOM 139 CZ TYR A 23 -7.866 3.514 5.842 1.00 0.00 C ATOM 140 OH TYR A 23 -8.089 4.848 6.095 1.00 0.00 O ATOM 0 H TYR A 23 -4.942 -0.356 6.079 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.407 -1.244 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.406 -0.737 4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.080 -1.091 4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.467 0.589 7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.413 1.390 3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.871 2.968 7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.813 3.771 3.721 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.129 5.339 5.248 1.00 0.00 H new ATOM 150 N ALA A 24 -5.814 -3.402 5.171 1.00 0.00 N ATOM 151 CA ALA A 24 -5.723 -4.816 4.828 1.00 0.00 C ATOM 152 C ALA A 24 -5.614 -5.681 6.076 1.00 0.00 C ATOM 153 O ALA A 24 -6.217 -6.751 6.158 1.00 0.00 O ATOM 154 CB ALA A 24 -4.539 -5.062 3.905 1.00 0.00 C ATOM 0 H ALA A 24 -5.095 -2.818 4.744 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.639 -5.095 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.484 -6.122 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.664 -4.482 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.619 -4.758 4.404 1.00 0.00 H new ATOM 160 N GLN A 25 -4.841 -5.210 7.050 1.00 0.00 N ATOM 161 CA GLN A 25 -4.685 -5.918 8.315 1.00 0.00 C ATOM 162 C GLN A 25 -6.010 -6.007 9.063 1.00 0.00 C ATOM 163 O GLN A 25 -6.375 -7.067 9.572 1.00 0.00 O ATOM 164 CB GLN A 25 -3.642 -5.222 9.194 1.00 0.00 C ATOM 165 CG GLN A 25 -2.214 -5.364 8.695 1.00 0.00 C ATOM 166 CD GLN A 25 -1.231 -4.551 9.516 1.00 0.00 C ATOM 167 OE1 GLN A 25 -1.622 -3.803 10.416 1.00 0.00 O ATOM 168 NE2 GLN A 25 0.053 -4.690 9.207 1.00 0.00 N ATOM 0 H GLN A 25 -4.313 -4.340 6.987 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.346 -6.929 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.888 -4.162 9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.705 -5.628 10.204 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.925 -6.415 8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.163 -5.047 7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.331 -5.320 8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.761 -4.167 9.722 1.00 0.00 H new ATOM 177 N LYS A 26 -6.725 -4.890 9.126 1.00 0.00 N ATOM 178 CA LYS A 26 -8.028 -4.850 9.777 1.00 0.00 C ATOM 179 C LYS A 26 -9.050 -5.686 9.018 1.00 0.00 C ATOM 180 O LYS A 26 -10.015 -6.183 9.599 1.00 0.00 O ATOM 181 CB LYS A 26 -8.520 -3.407 9.904 1.00 0.00 C ATOM 182 CG LYS A 26 -7.735 -2.560 10.897 1.00 0.00 C ATOM 183 CD LYS A 26 -8.267 -1.135 10.950 1.00 0.00 C ATOM 184 CE LYS A 26 -7.500 -0.295 11.961 1.00 0.00 C ATOM 185 NZ LYS A 26 -8.003 1.105 12.017 1.00 0.00 N ATOM 0 H LYS A 26 -6.423 -3.998 8.733 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.914 -5.274 10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.474 -2.933 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.568 -3.418 10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.794 -3.010 11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.682 -2.547 10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.191 -0.679 9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.325 -1.149 11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.583 -0.750 12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.442 -0.290 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.454 1.643 12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.901 1.548 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.006 1.103 12.291 1.00 0.00 H new ATOM 199 N TYR A 27 -8.832 -5.839 7.716 1.00 0.00 N ATOM 200 CA TYR A 27 -9.727 -6.626 6.876 1.00 0.00 C ATOM 201 C TYR A 27 -9.331 -8.096 6.875 1.00 0.00 C ATOM 202 O TYR A 27 -9.935 -8.912 6.179 1.00 0.00 O ATOM 203 CB TYR A 27 -9.734 -6.083 5.446 1.00 0.00 C ATOM 204 CG TYR A 27 -10.218 -4.654 5.335 1.00 0.00 C ATOM 205 CD1 TYR A 27 -10.911 -4.053 6.375 1.00 0.00 C ATOM 206 CD2 TYR A 27 -9.977 -3.909 4.190 1.00 0.00 C ATOM 207 CE1 TYR A 27 -11.355 -2.749 6.278 1.00 0.00 C ATOM 208 CE2 TYR A 27 -10.416 -2.604 4.082 1.00 0.00 C ATOM 209 CZ TYR A 27 -11.105 -2.027 5.129 1.00 0.00 C ATOM 210 OH TYR A 27 -11.543 -0.726 5.028 1.00 0.00 O ATOM 0 H TYR A 27 -8.042 -5.428 7.219 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.731 -6.544 7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.725 -6.147 5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.368 -6.720 4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.107 -4.615 7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.437 -4.357 3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.895 -2.297 7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.221 -2.038 3.183 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.284 -0.360 4.156 1.00 0.00 H new ATOM 220 N LYS A 28 -8.311 -8.429 7.660 1.00 0.00 N ATOM 221 CA LYS A 28 -7.800 -9.794 7.714 1.00 0.00 C ATOM 222 C LYS A 28 -7.449 -10.307 6.324 1.00 0.00 C ATOM 223 O LYS A 28 -7.639 -11.484 6.018 1.00 0.00 O ATOM 224 CB LYS A 28 -8.821 -10.723 8.374 1.00 0.00 C ATOM 225 CG LYS A 28 -9.182 -10.346 9.804 1.00 0.00 C ATOM 226 CD LYS A 28 -10.156 -11.344 10.411 1.00 0.00 C ATOM 227 CE LYS A 28 -10.583 -10.923 11.809 1.00 0.00 C ATOM 228 NZ LYS A 28 -11.583 -11.859 12.392 1.00 0.00 N ATOM 0 H LYS A 28 -7.822 -7.772 8.268 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.890 -9.785 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.730 -10.730 7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.427 -11.739 8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.277 -10.303 10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.623 -9.349 9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.034 -11.432 9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.691 -12.329 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.708 -10.878 12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.005 -9.919 11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.847 -11.536 13.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.429 -11.883 11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.172 -12.813 12.452 1.00 0.00 H new ATOM 242 N LEU A 29 -6.935 -9.415 5.483 1.00 0.00 N ATOM 243 CA LEU A 29 -6.519 -9.784 4.134 1.00 0.00 C ATOM 244 C LEU A 29 -5.030 -10.098 4.084 1.00 0.00 C ATOM 245 O LEU A 29 -4.247 -9.568 4.872 1.00 0.00 O ATOM 246 CB LEU A 29 -6.861 -8.661 3.148 1.00 0.00 C ATOM 247 CG LEU A 29 -8.351 -8.306 3.054 1.00 0.00 C ATOM 248 CD1 LEU A 29 -8.548 -7.129 2.108 1.00 0.00 C ATOM 249 CD2 LEU A 29 -9.134 -9.519 2.576 1.00 0.00 C ATOM 0 H LEU A 29 -6.796 -8.431 5.712 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.062 -10.684 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.308 -7.766 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.509 -8.949 2.157 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.719 -8.018 4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.608 -6.884 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.997 -6.266 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.180 -7.393 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.192 -9.266 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.771 -9.822 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.001 -10.339 3.281 1.00 0.00 H new ATOM 261 N PRO A 30 -4.644 -10.964 3.153 1.00 0.00 N ATOM 262 CA PRO A 30 -3.241 -11.317 2.969 1.00 0.00 C ATOM 263 C PRO A 30 -2.396 -10.083 2.675 1.00 0.00 C ATOM 264 O PRO A 30 -2.819 -9.191 1.940 1.00 0.00 O ATOM 265 CB PRO A 30 -3.253 -12.304 1.790 1.00 0.00 C ATOM 266 CG PRO A 30 -4.630 -12.910 1.805 1.00 0.00 C ATOM 267 CD PRO A 30 -5.509 -11.582 2.139 1.00 0.00 C ATOM 0 HA PRO A 30 -2.796 -11.756 3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.056 -11.795 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.484 -13.068 1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.899 -13.360 0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.738 -13.685 2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.652 -10.945 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.500 -11.822 2.524 1.00 0.00 H new ATOM 275 N THR A 31 -1.202 -10.040 3.255 1.00 0.00 N ATOM 276 CA THR A 31 -0.301 -8.909 3.067 1.00 0.00 C ATOM 277 C THR A 31 -0.126 -8.583 1.589 1.00 0.00 C ATOM 278 O THR A 31 0.312 -9.425 0.806 1.00 0.00 O ATOM 279 CB THR A 31 1.082 -9.178 3.690 1.00 0.00 C ATOM 280 OG1 THR A 31 0.932 -9.460 5.088 1.00 0.00 O ATOM 281 CG2 THR A 31 1.990 -7.970 3.515 1.00 0.00 C ATOM 0 H THR A 31 -0.835 -10.775 3.859 1.00 0.00 H new ATOM 0 HA THR A 31 -0.757 -8.058 3.572 1.00 0.00 H new ATOM 0 HB THR A 31 1.531 -10.033 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.812 -9.633 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.962 -8.178 3.961 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.115 -7.760 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.543 -7.105 4.006 1.00 0.00 H new ATOM 289 N PRO A 32 -0.470 -7.356 1.215 1.00 0.00 N ATOM 290 CA PRO A 32 -0.413 -6.937 -0.181 1.00 0.00 C ATOM 291 C PRO A 32 0.973 -7.164 -0.769 1.00 0.00 C ATOM 292 O PRO A 32 1.985 -6.895 -0.120 1.00 0.00 O ATOM 293 CB PRO A 32 -0.788 -5.446 -0.141 1.00 0.00 C ATOM 294 CG PRO A 32 -1.627 -5.289 1.097 1.00 0.00 C ATOM 295 CD PRO A 32 -0.765 -6.236 2.119 1.00 0.00 C ATOM 0 HA PRO A 32 -1.085 -7.508 -0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.101 -4.816 -0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.342 -5.154 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.689 -4.254 1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.649 -5.641 0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.136 -5.745 2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.340 -6.542 2.993 1.00 0.00 H new ATOM 303 N VAL A 33 1.014 -7.661 -2.000 1.00 0.00 N ATOM 304 CA VAL A 33 2.277 -7.910 -2.685 1.00 0.00 C ATOM 305 C VAL A 33 2.629 -6.764 -3.625 1.00 0.00 C ATOM 306 O VAL A 33 1.871 -6.444 -4.540 1.00 0.00 O ATOM 307 CB VAL A 33 2.237 -9.224 -3.486 1.00 0.00 C ATOM 308 CG1 VAL A 33 3.550 -9.438 -4.225 1.00 0.00 C ATOM 309 CG2 VAL A 33 1.948 -10.401 -2.566 1.00 0.00 C ATOM 0 H VAL A 33 0.186 -7.900 -2.545 1.00 0.00 H new ATOM 0 HA VAL A 33 3.042 -7.990 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 33 1.434 -9.154 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.504 -10.371 -4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.720 -8.610 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.368 -9.486 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.923 -11.321 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.729 -10.472 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.984 -10.254 -2.079 1.00 0.00 H new ATOM 319 N TYR A 34 3.784 -6.148 -3.394 1.00 0.00 N ATOM 320 CA TYR A 34 4.254 -5.059 -4.240 1.00 0.00 C ATOM 321 C TYR A 34 5.237 -5.561 -5.290 1.00 0.00 C ATOM 322 O TYR A 34 6.276 -6.132 -4.958 1.00 0.00 O ATOM 323 CB TYR A 34 4.906 -3.965 -3.392 1.00 0.00 C ATOM 324 CG TYR A 34 5.446 -2.804 -4.197 1.00 0.00 C ATOM 325 CD1 TYR A 34 4.595 -1.837 -4.713 1.00 0.00 C ATOM 326 CD2 TYR A 34 6.805 -2.677 -4.438 1.00 0.00 C ATOM 327 CE1 TYR A 34 5.082 -0.775 -5.450 1.00 0.00 C ATOM 328 CE2 TYR A 34 7.305 -1.619 -5.173 1.00 0.00 C ATOM 329 CZ TYR A 34 6.439 -0.670 -5.678 1.00 0.00 C ATOM 330 OH TYR A 34 6.931 0.387 -6.409 1.00 0.00 O ATOM 0 H TYR A 34 4.412 -6.386 -2.626 1.00 0.00 H new ATOM 0 HA TYR A 34 3.389 -4.641 -4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.174 -3.589 -2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.720 -4.403 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.533 -1.916 -4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.485 -3.418 -4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.405 -0.032 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.367 -1.535 -5.351 1.00 0.00 H new ATOM 0 HH TYR A 34 7.906 0.313 -6.476 1.00 0.00 H new ATOM 340 N GLU A 35 4.903 -5.346 -6.558 1.00 0.00 N ATOM 341 CA GLU A 35 5.816 -5.649 -7.653 1.00 0.00 C ATOM 342 C GLU A 35 6.178 -4.392 -8.432 1.00 0.00 C ATOM 343 O GLU A 35 5.340 -3.515 -8.638 1.00 0.00 O ATOM 344 CB GLU A 35 5.201 -6.690 -8.590 1.00 0.00 C ATOM 345 CG GLU A 35 4.967 -8.052 -7.951 1.00 0.00 C ATOM 346 CD GLU A 35 4.419 -9.036 -8.947 1.00 0.00 C ATOM 347 OE1 GLU A 35 4.208 -8.657 -10.074 1.00 0.00 O ATOM 348 OE2 GLU A 35 4.318 -10.193 -8.615 1.00 0.00 O ATOM 0 H GLU A 35 4.005 -4.962 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 35 6.730 -6.057 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.250 -6.309 -8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.855 -6.815 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.904 -8.430 -7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.272 -7.950 -7.117 1.00 0.00 H new ATOM 355 N ILE A 36 7.432 -4.310 -8.864 1.00 0.00 N ATOM 356 CA ILE A 36 7.915 -3.148 -9.601 1.00 0.00 C ATOM 357 C ILE A 36 8.416 -3.543 -10.985 1.00 0.00 C ATOM 358 O ILE A 36 9.252 -4.435 -11.122 1.00 0.00 O ATOM 359 CB ILE A 36 9.044 -2.428 -8.843 1.00 0.00 C ATOM 360 CG1 ILE A 36 9.522 -1.206 -9.632 1.00 0.00 C ATOM 361 CG2 ILE A 36 10.200 -3.380 -8.579 1.00 0.00 C ATOM 362 CD1 ILE A 36 8.543 -0.054 -9.627 1.00 0.00 C ATOM 0 H ILE A 36 8.133 -5.036 -8.716 1.00 0.00 H new ATOM 0 HA ILE A 36 7.069 -2.468 -9.705 1.00 0.00 H new ATOM 0 HB ILE A 36 8.655 -2.088 -7.884 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.471 -0.866 -9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.713 -1.503 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.989 -2.854 -8.042 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.850 -4.220 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.590 -3.750 -9.527 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.952 0.774 -10.206 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.600 -0.376 -10.070 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.370 0.272 -8.601 1.00 0.00 H new ATOM 374 N VAL A 37 7.898 -2.872 -12.008 1.00 0.00 N ATOM 375 CA VAL A 37 8.305 -3.139 -13.383 1.00 0.00 C ATOM 376 C VAL A 37 8.984 -1.925 -14.002 1.00 0.00 C ATOM 377 O VAL A 37 8.409 -0.837 -14.052 1.00 0.00 O ATOM 378 CB VAL A 37 7.105 -3.545 -14.259 1.00 0.00 C ATOM 379 CG1 VAL A 37 7.550 -3.788 -15.693 1.00 0.00 C ATOM 380 CG2 VAL A 37 6.430 -4.786 -13.695 1.00 0.00 C ATOM 0 H VAL A 37 7.195 -2.139 -11.911 1.00 0.00 H new ATOM 0 HA VAL A 37 9.012 -3.967 -13.345 1.00 0.00 H new ATOM 0 HB VAL A 37 6.384 -2.728 -14.255 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.689 -4.074 -16.298 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.990 -2.876 -16.097 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.290 -4.588 -15.714 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.584 -5.059 -14.326 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.144 -5.609 -13.670 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.077 -4.581 -12.684 1.00 0.00 H new ATOM 390 N LYS A 38 10.212 -2.115 -14.473 1.00 0.00 N ATOM 391 CA LYS A 38 10.961 -1.042 -15.117 1.00 0.00 C ATOM 392 C LYS A 38 11.297 -1.395 -16.561 1.00 0.00 C ATOM 393 O LYS A 38 11.926 -2.418 -16.830 1.00 0.00 O ATOM 394 CB LYS A 38 12.242 -0.741 -14.337 1.00 0.00 C ATOM 395 CG LYS A 38 13.059 0.417 -14.893 1.00 0.00 C ATOM 396 CD LYS A 38 14.309 0.663 -14.061 1.00 0.00 C ATOM 397 CE LYS A 38 15.110 1.840 -14.598 1.00 0.00 C ATOM 398 NZ LYS A 38 16.285 2.151 -13.740 1.00 0.00 N ATOM 0 H LYS A 38 10.710 -3.003 -14.421 1.00 0.00 H new ATOM 0 HA LYS A 38 10.332 -0.152 -15.122 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.980 -0.521 -13.302 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.864 -1.636 -14.325 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.342 0.203 -15.924 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.448 1.320 -14.911 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.027 0.855 -13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.930 -0.233 -14.061 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.449 1.617 -15.610 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.466 2.717 -14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.803 2.959 -14.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.961 2.389 -12.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.913 1.323 -13.698 1.00 0.00 H new ATOM 412 N GLU A 39 10.874 -0.540 -17.486 1.00 0.00 N ATOM 413 CA GLU A 39 11.069 -0.793 -18.909 1.00 0.00 C ATOM 414 C GLU A 39 11.577 0.450 -19.625 1.00 0.00 C ATOM 415 O GLU A 39 11.577 1.546 -19.063 1.00 0.00 O ATOM 416 CB GLU A 39 9.766 -1.275 -19.551 1.00 0.00 C ATOM 417 CG GLU A 39 9.259 -2.608 -19.021 1.00 0.00 C ATOM 418 CD GLU A 39 7.989 -3.023 -19.711 1.00 0.00 C ATOM 419 OE1 GLU A 39 7.553 -2.315 -20.586 1.00 0.00 O ATOM 420 OE2 GLU A 39 7.517 -4.102 -19.443 1.00 0.00 O ATOM 0 H GLU A 39 10.394 0.335 -17.276 1.00 0.00 H new ATOM 0 HA GLU A 39 11.822 -1.574 -19.008 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.997 -0.519 -19.394 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.915 -1.359 -20.627 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.021 -3.373 -19.167 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.084 -2.532 -17.948 1.00 0.00 H new ATOM 427 N GLY A 40 12.010 0.276 -20.869 1.00 0.00 N ATOM 428 CA GLY A 40 12.434 1.398 -21.698 1.00 0.00 C ATOM 429 C GLY A 40 13.940 1.612 -21.607 1.00 0.00 C ATOM 430 O GLY A 40 14.634 0.904 -20.879 1.00 0.00 O ATOM 0 H GLY A 40 12.077 -0.633 -21.326 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.152 1.215 -22.735 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.916 2.303 -21.382 1.00 0.00 H new ATOM 434 N PRO A 41 14.438 2.592 -22.353 1.00 0.00 N ATOM 435 CA PRO A 41 15.866 2.886 -22.378 1.00 0.00 C ATOM 436 C PRO A 41 16.383 3.223 -20.985 1.00 0.00 C ATOM 437 O PRO A 41 15.607 3.550 -20.087 1.00 0.00 O ATOM 438 CB PRO A 41 15.989 4.075 -23.345 1.00 0.00 C ATOM 439 CG PRO A 41 14.755 4.007 -24.202 1.00 0.00 C ATOM 440 CD PRO A 41 13.662 3.547 -23.155 1.00 0.00 C ATOM 0 HA PRO A 41 16.466 2.036 -22.702 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.043 5.020 -22.804 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.894 4.001 -23.949 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.513 4.971 -24.649 1.00 0.00 H new ATOM 0 HG3 PRO A 41 14.864 3.295 -25.020 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.285 4.378 -22.559 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.801 3.081 -23.634 1.00 0.00 H new ATOM 448 N SER A 42 17.698 3.143 -20.812 1.00 0.00 N ATOM 449 CA SER A 42 18.322 3.450 -19.531 1.00 0.00 C ATOM 450 C SER A 42 18.294 4.946 -19.249 1.00 0.00 C ATOM 451 O SER A 42 18.450 5.375 -18.105 1.00 0.00 O ATOM 452 CB SER A 42 19.748 2.935 -19.508 1.00 0.00 C ATOM 453 OG SER A 42 20.568 3.615 -20.419 1.00 0.00 O ATOM 0 H SER A 42 18.353 2.868 -21.544 1.00 0.00 H new ATOM 0 HA SER A 42 17.752 2.951 -18.748 1.00 0.00 H new ATOM 0 HB2 SER A 42 20.156 3.043 -18.503 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.752 1.870 -19.741 1.00 0.00 H new ATOM 0 HG SER A 42 21.478 3.255 -20.372 1.00 0.00 H new ATOM 459 N HIS A 43 18.093 5.738 -20.297 1.00 0.00 N ATOM 460 CA HIS A 43 18.065 7.189 -20.168 1.00 0.00 C ATOM 461 C HIS A 43 16.645 7.727 -20.284 1.00 0.00 C ATOM 462 O HIS A 43 16.381 8.886 -19.966 1.00 0.00 O ATOM 463 CB HIS A 43 18.961 7.844 -21.225 1.00 0.00 C ATOM 464 CG HIS A 43 20.408 7.486 -21.092 1.00 0.00 C ATOM 465 ND1 HIS A 43 21.180 7.895 -20.024 1.00 0.00 N ATOM 466 CD2 HIS A 43 21.225 6.761 -21.891 1.00 0.00 C ATOM 467 CE1 HIS A 43 22.410 7.434 -20.173 1.00 0.00 C ATOM 468 NE2 HIS A 43 22.463 6.744 -21.298 1.00 0.00 N ATOM 0 H HIS A 43 17.947 5.397 -21.247 1.00 0.00 H new ATOM 0 HA HIS A 43 18.446 7.439 -19.178 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.613 7.551 -22.216 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.856 8.927 -21.157 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.954 6.285 -22.822 1.00 0.00 H new ATOM 0 HE1 HIS A 43 23.232 7.594 -19.491 1.00 0.00 H new ATOM 0 HE2 HIS A 43 23.290 6.274 -21.667 1.00 0.00 H new ATOM 476 N LYS A 44 15.732 6.876 -20.741 1.00 0.00 N ATOM 477 CA LYS A 44 14.319 7.231 -20.808 1.00 0.00 C ATOM 478 C LYS A 44 13.442 6.102 -20.282 1.00 0.00 C ATOM 479 O LYS A 44 12.577 5.592 -20.995 1.00 0.00 O ATOM 480 CB LYS A 44 13.923 7.581 -22.243 1.00 0.00 C ATOM 481 CG LYS A 44 14.620 8.813 -22.806 1.00 0.00 C ATOM 482 CD LYS A 44 14.136 9.128 -24.214 1.00 0.00 C ATOM 483 CE LYS A 44 14.881 10.316 -24.803 1.00 0.00 C ATOM 484 NZ LYS A 44 14.397 10.655 -26.169 1.00 0.00 N ATOM 0 H LYS A 44 15.946 5.935 -21.071 1.00 0.00 H new ATOM 0 HA LYS A 44 14.164 8.105 -20.175 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.143 6.729 -22.886 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.845 7.739 -22.281 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.434 9.668 -22.156 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.698 8.650 -22.818 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.276 8.256 -24.852 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.067 9.340 -24.194 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.759 11.180 -24.150 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.947 10.093 -24.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.930 11.470 -26.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.536 9.839 -26.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.385 10.893 -26.130 1.00 0.00 H new ATOM 498 N SER A 45 13.669 5.717 -19.032 1.00 0.00 N ATOM 499 CA SER A 45 13.001 4.556 -18.455 1.00 0.00 C ATOM 500 C SER A 45 11.630 4.926 -17.904 1.00 0.00 C ATOM 501 O SER A 45 11.392 6.073 -17.524 1.00 0.00 O ATOM 502 CB SER A 45 13.862 3.948 -17.365 1.00 0.00 C ATOM 503 OG SER A 45 14.001 4.804 -16.264 1.00 0.00 O ATOM 0 H SER A 45 14.311 6.192 -18.398 1.00 0.00 H new ATOM 0 HA SER A 45 12.856 3.820 -19.246 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.421 3.006 -17.038 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.847 3.715 -17.769 1.00 0.00 H new ATOM 0 HG SER A 45 13.412 4.504 -15.540 1.00 0.00 H new ATOM 509 N LEU A 46 10.731 3.949 -17.863 1.00 0.00 N ATOM 510 CA LEU A 46 9.418 4.140 -17.259 1.00 0.00 C ATOM 511 C LEU A 46 9.180 3.144 -16.131 1.00 0.00 C ATOM 512 O LEU A 46 9.541 1.972 -16.238 1.00 0.00 O ATOM 513 CB LEU A 46 8.321 4.013 -18.323 1.00 0.00 C ATOM 514 CG LEU A 46 8.356 5.078 -19.427 1.00 0.00 C ATOM 515 CD1 LEU A 46 7.321 4.755 -20.496 1.00 0.00 C ATOM 516 CD2 LEU A 46 8.095 6.448 -18.820 1.00 0.00 C ATOM 0 H LEU A 46 10.888 3.015 -18.242 1.00 0.00 H new ATOM 0 HA LEU A 46 9.384 5.143 -16.834 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.399 3.029 -18.786 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.351 4.057 -17.829 1.00 0.00 H new ATOM 0 HG LEU A 46 9.340 5.084 -19.896 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.353 5.516 -21.275 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.540 3.780 -20.932 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.328 4.737 -20.047 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.120 7.204 -19.605 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.116 6.453 -18.342 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.862 6.669 -18.078 1.00 0.00 H new ATOM 528 N PHE A 47 8.571 3.617 -15.049 1.00 0.00 N ATOM 529 CA PHE A 47 8.291 2.771 -13.896 1.00 0.00 C ATOM 530 C PHE A 47 6.810 2.426 -13.812 1.00 0.00 C ATOM 531 O PHE A 47 5.950 3.266 -14.080 1.00 0.00 O ATOM 532 CB PHE A 47 8.745 3.458 -12.606 1.00 0.00 C ATOM 533 CG PHE A 47 10.237 3.565 -12.470 1.00 0.00 C ATOM 534 CD1 PHE A 47 10.938 4.564 -13.128 1.00 0.00 C ATOM 535 CD2 PHE A 47 10.943 2.666 -11.684 1.00 0.00 C ATOM 536 CE1 PHE A 47 12.311 4.664 -13.003 1.00 0.00 C ATOM 537 CE2 PHE A 47 12.315 2.764 -11.557 1.00 0.00 C ATOM 538 CZ PHE A 47 12.999 3.764 -12.217 1.00 0.00 C ATOM 0 H PHE A 47 8.262 4.584 -14.947 1.00 0.00 H new ATOM 0 HA PHE A 47 8.850 1.843 -14.019 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.313 4.458 -12.566 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.350 2.906 -11.753 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.405 5.272 -13.745 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.414 1.880 -11.165 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.845 5.447 -13.521 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.852 2.058 -10.941 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.072 3.842 -12.118 1.00 0.00 H new ATOM 548 N GLN A 48 6.516 1.185 -13.438 1.00 0.00 N ATOM 549 CA GLN A 48 5.142 0.763 -13.194 1.00 0.00 C ATOM 550 C GLN A 48 5.038 -0.065 -11.921 1.00 0.00 C ATOM 551 O GLN A 48 5.795 -1.016 -11.723 1.00 0.00 O ATOM 552 CB GLN A 48 4.611 -0.045 -14.381 1.00 0.00 C ATOM 553 CG GLN A 48 3.157 -0.465 -14.248 1.00 0.00 C ATOM 554 CD GLN A 48 2.646 -1.184 -15.482 1.00 0.00 C ATOM 555 OE1 GLN A 48 3.371 -1.345 -16.468 1.00 0.00 O ATOM 556 NE2 GLN A 48 1.392 -1.619 -15.436 1.00 0.00 N ATOM 0 H GLN A 48 7.212 0.453 -13.297 1.00 0.00 H new ATOM 0 HA GLN A 48 4.537 1.661 -13.072 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.725 0.547 -15.289 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.225 -0.937 -14.503 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.048 -1.116 -13.381 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.543 0.416 -14.064 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.829 -1.464 -14.600 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.992 -2.108 -16.237 1.00 0.00 H new ATOM 565 N SER A 49 4.095 0.300 -11.059 1.00 0.00 N ATOM 566 CA SER A 49 3.921 -0.380 -9.780 1.00 0.00 C ATOM 567 C SER A 49 2.630 -1.188 -9.757 1.00 0.00 C ATOM 568 O SER A 49 1.568 -0.689 -10.128 1.00 0.00 O ATOM 569 CB SER A 49 3.934 0.628 -8.647 1.00 0.00 C ATOM 570 OG SER A 49 5.200 1.201 -8.467 1.00 0.00 O ATOM 0 H SER A 49 3.439 1.064 -11.223 1.00 0.00 H new ATOM 0 HA SER A 49 4.752 -1.073 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.207 1.413 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.623 0.139 -7.724 1.00 0.00 H new ATOM 0 HG SER A 49 5.639 0.788 -7.694 1.00 0.00 H new ATOM 576 N THR A 50 2.728 -2.438 -9.320 1.00 0.00 N ATOM 577 CA THR A 50 1.560 -3.302 -9.200 1.00 0.00 C ATOM 578 C THR A 50 1.372 -3.778 -7.765 1.00 0.00 C ATOM 579 O THR A 50 2.247 -4.432 -7.198 1.00 0.00 O ATOM 580 CB THR A 50 1.666 -4.527 -10.127 1.00 0.00 C ATOM 581 OG1 THR A 50 1.765 -4.092 -11.489 1.00 0.00 O ATOM 582 CG2 THR A 50 0.444 -5.420 -9.972 1.00 0.00 C ATOM 0 H THR A 50 3.606 -2.876 -9.042 1.00 0.00 H new ATOM 0 HA THR A 50 0.697 -2.706 -9.498 1.00 0.00 H new ATOM 0 HB THR A 50 2.556 -5.094 -9.854 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.869 -4.048 -11.884 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.536 -6.281 -10.634 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.372 -5.763 -8.940 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.453 -4.857 -10.231 1.00 0.00 H new ATOM 590 N VAL A 51 0.224 -3.446 -7.182 1.00 0.00 N ATOM 591 CA VAL A 51 -0.122 -3.919 -5.848 1.00 0.00 C ATOM 592 C VAL A 51 -1.213 -4.981 -5.906 1.00 0.00 C ATOM 593 O VAL A 51 -2.333 -4.711 -6.338 1.00 0.00 O ATOM 594 CB VAL A 51 -0.591 -2.765 -4.943 1.00 0.00 C ATOM 595 CG1 VAL A 51 -1.008 -3.293 -3.578 1.00 0.00 C ATOM 596 CG2 VAL A 51 0.507 -1.723 -4.796 1.00 0.00 C ATOM 0 H VAL A 51 -0.482 -2.850 -7.614 1.00 0.00 H new ATOM 0 HA VAL A 51 0.783 -4.355 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.456 -2.292 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.336 -2.463 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.826 -4.004 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.161 -3.791 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.158 -0.915 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.389 -2.184 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.762 -1.322 -5.777 1.00 0.00 H new ATOM 606 N ILE A 52 -0.879 -6.191 -5.469 1.00 0.00 N ATOM 607 CA ILE A 52 -1.822 -7.301 -5.490 1.00 0.00 C ATOM 608 C ILE A 52 -2.332 -7.618 -4.090 1.00 0.00 C ATOM 609 O ILE A 52 -1.555 -7.958 -3.198 1.00 0.00 O ATOM 610 CB ILE A 52 -1.190 -8.568 -6.095 1.00 0.00 C ATOM 611 CG1 ILE A 52 -0.734 -8.303 -7.533 1.00 0.00 C ATOM 612 CG2 ILE A 52 -2.174 -9.727 -6.050 1.00 0.00 C ATOM 613 CD1 ILE A 52 0.109 -9.412 -8.120 1.00 0.00 C ATOM 0 H ILE A 52 0.040 -6.427 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.659 -6.990 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.316 -8.837 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.612 -8.156 -8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.164 -7.374 -7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.711 -10.614 -6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.451 -9.929 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.066 -9.469 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.393 -9.152 -9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.006 -9.546 -7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.464 -10.339 -8.128 1.00 0.00 H new ATOM 625 N LEU A 53 -3.643 -7.505 -3.904 1.00 0.00 N ATOM 626 CA LEU A 53 -4.257 -7.757 -2.606 1.00 0.00 C ATOM 627 C LEU A 53 -5.455 -8.688 -2.734 1.00 0.00 C ATOM 628 O LEU A 53 -6.447 -8.354 -3.382 1.00 0.00 O ATOM 629 CB LEU A 53 -4.677 -6.434 -1.952 1.00 0.00 C ATOM 630 CG LEU A 53 -5.478 -6.575 -0.651 1.00 0.00 C ATOM 631 CD1 LEU A 53 -4.644 -7.294 0.400 1.00 0.00 C ATOM 632 CD2 LEU A 53 -5.894 -5.197 -0.159 1.00 0.00 C ATOM 0 H LEU A 53 -4.301 -7.240 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.518 -8.247 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.781 -5.848 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.272 -5.866 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.374 -7.166 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.221 -7.389 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.376 -8.286 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.737 -6.723 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.463 -5.297 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.006 -4.593 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.512 -4.712 -0.915 1.00 0.00 H new ATOM 644 N ASP A 54 -5.357 -9.860 -2.115 1.00 0.00 N ATOM 645 CA ASP A 54 -6.454 -10.820 -2.114 1.00 0.00 C ATOM 646 C ASP A 54 -6.895 -11.153 -3.533 1.00 0.00 C ATOM 647 O ASP A 54 -8.089 -11.266 -3.812 1.00 0.00 O ATOM 648 CB ASP A 54 -7.638 -10.282 -1.308 1.00 0.00 C ATOM 649 CG ASP A 54 -8.632 -11.346 -0.863 1.00 0.00 C ATOM 650 OD1 ASP A 54 -8.277 -12.501 -0.866 1.00 0.00 O ATOM 651 OD2 ASP A 54 -9.678 -10.987 -0.377 1.00 0.00 O ATOM 0 H ASP A 54 -4.528 -10.168 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.094 -11.736 -1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.257 -9.767 -0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.164 -9.540 -1.909 1.00 0.00 H new ATOM 656 N GLY A 55 -5.926 -11.309 -4.428 1.00 0.00 N ATOM 657 CA GLY A 55 -6.207 -11.717 -5.800 1.00 0.00 C ATOM 658 C GLY A 55 -6.550 -10.518 -6.672 1.00 0.00 C ATOM 659 O GLY A 55 -6.567 -10.614 -7.899 1.00 0.00 O ATOM 0 H GLY A 55 -4.937 -11.159 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.341 -12.234 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.035 -12.425 -5.809 1.00 0.00 H new ATOM 663 N VAL A 56 -6.822 -9.385 -6.032 1.00 0.00 N ATOM 664 CA VAL A 56 -7.199 -8.172 -6.747 1.00 0.00 C ATOM 665 C VAL A 56 -5.976 -7.332 -7.093 1.00 0.00 C ATOM 666 O VAL A 56 -5.204 -6.952 -6.213 1.00 0.00 O ATOM 667 CB VAL A 56 -8.182 -7.315 -5.927 1.00 0.00 C ATOM 668 CG1 VAL A 56 -8.571 -6.063 -6.700 1.00 0.00 C ATOM 669 CG2 VAL A 56 -9.420 -8.122 -5.566 1.00 0.00 C ATOM 0 H VAL A 56 -6.788 -9.282 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.689 -8.491 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.687 -7.012 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.266 -5.470 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.679 -5.474 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.048 -6.348 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.103 -7.501 -4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.916 -8.455 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.129 -8.990 -4.974 1.00 0.00 H new ATOM 679 N ARG A 57 -5.805 -7.047 -8.379 1.00 0.00 N ATOM 680 CA ARG A 57 -4.599 -6.386 -8.863 1.00 0.00 C ATOM 681 C ARG A 57 -4.830 -4.894 -9.061 1.00 0.00 C ATOM 682 O ARG A 57 -5.805 -4.485 -9.692 1.00 0.00 O ATOM 683 CB ARG A 57 -4.055 -7.038 -10.126 1.00 0.00 C ATOM 684 CG ARG A 57 -2.820 -6.370 -10.710 1.00 0.00 C ATOM 685 CD ARG A 57 -2.198 -7.111 -11.837 1.00 0.00 C ATOM 686 NE ARG A 57 -1.663 -8.414 -11.479 1.00 0.00 N ATOM 687 CZ ARG A 57 -1.295 -9.360 -12.366 1.00 0.00 C ATOM 688 NH1 ARG A 57 -1.437 -9.168 -13.659 1.00 0.00 N ATOM 689 NH2 ARG A 57 -0.809 -10.497 -11.900 1.00 0.00 N ATOM 0 H ARG A 57 -6.487 -7.264 -9.106 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.837 -6.506 -8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.818 -8.079 -9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.840 -7.042 -10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.090 -5.371 -11.053 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.080 -6.247 -9.919 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.941 -7.241 -12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.394 -6.504 -12.255 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.559 -8.628 -10.487 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.831 -8.293 -14.004 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.153 -9.894 -14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.721 -10.640 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.522 -11.232 -12.546 1.00 0.00 H new ATOM 703 N TYR A 58 -3.928 -4.084 -8.519 1.00 0.00 N ATOM 704 CA TYR A 58 -3.987 -2.638 -8.702 1.00 0.00 C ATOM 705 C TYR A 58 -2.764 -2.127 -9.453 1.00 0.00 C ATOM 706 O TYR A 58 -1.671 -2.041 -8.893 1.00 0.00 O ATOM 707 CB TYR A 58 -4.106 -1.931 -7.351 1.00 0.00 C ATOM 708 CG TYR A 58 -5.289 -2.385 -6.523 1.00 0.00 C ATOM 709 CD1 TYR A 58 -6.580 -2.009 -6.863 1.00 0.00 C ATOM 710 CD2 TYR A 58 -5.111 -3.186 -5.405 1.00 0.00 C ATOM 711 CE1 TYR A 58 -7.664 -2.419 -6.112 1.00 0.00 C ATOM 712 CE2 TYR A 58 -6.188 -3.603 -4.646 1.00 0.00 C ATOM 713 CZ TYR A 58 -7.464 -3.217 -5.004 1.00 0.00 C ATOM 714 OH TYR A 58 -8.540 -3.628 -4.251 1.00 0.00 O ATOM 0 H TYR A 58 -3.146 -4.404 -7.948 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.872 -2.414 -9.298 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.191 -2.099 -6.782 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.184 -0.857 -7.520 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.740 -1.385 -7.730 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.114 -3.489 -5.123 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.663 -2.117 -6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.032 -4.227 -3.778 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.226 -4.184 -3.508 1.00 0.00 H new ATOM 724 N ASN A 59 -2.954 -1.791 -10.724 1.00 0.00 N ATOM 725 CA ASN A 59 -1.864 -1.299 -11.558 1.00 0.00 C ATOM 726 C ASN A 59 -1.810 0.223 -11.553 1.00 0.00 C ATOM 727 O ASN A 59 -2.837 0.891 -11.667 1.00 0.00 O ATOM 728 CB ASN A 59 -1.977 -1.816 -12.981 1.00 0.00 C ATOM 729 CG ASN A 59 -1.816 -3.306 -13.098 1.00 0.00 C ATOM 730 OD1 ASN A 59 -0.766 -3.866 -12.764 1.00 0.00 O ATOM 731 ND2 ASN A 59 -2.820 -3.940 -13.648 1.00 0.00 N ATOM 0 H ASN A 59 -3.854 -1.851 -11.200 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.936 -1.678 -11.131 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.949 -1.532 -13.385 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.221 -1.328 -13.596 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.757 -4.944 -13.819 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.665 -3.431 -13.905 1.00 0.00 H new ATOM 738 N SER A 60 -0.604 0.766 -11.420 1.00 0.00 N ATOM 739 CA SER A 60 -0.407 2.211 -11.453 1.00 0.00 C ATOM 740 C SER A 60 -0.559 2.755 -12.868 1.00 0.00 C ATOM 741 O SER A 60 -0.704 1.994 -13.824 1.00 0.00 O ATOM 742 CB SER A 60 0.958 2.564 -10.894 1.00 0.00 C ATOM 743 OG SER A 60 1.995 2.166 -11.748 1.00 0.00 O ATOM 0 H SER A 60 0.252 0.227 -11.288 1.00 0.00 H new ATOM 0 HA SER A 60 -1.175 2.674 -10.833 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.016 3.640 -10.731 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.086 2.087 -9.922 1.00 0.00 H new ATOM 0 HG SER A 60 2.755 2.776 -11.646 1.00 0.00 H new ATOM 749 N LEU A 61 -0.524 4.078 -12.994 1.00 0.00 N ATOM 750 CA LEU A 61 -0.570 4.724 -14.300 1.00 0.00 C ATOM 751 C LEU A 61 0.798 4.707 -14.971 1.00 0.00 C ATOM 752 O LEU A 61 1.829 4.738 -14.300 1.00 0.00 O ATOM 753 CB LEU A 61 -1.079 6.164 -14.161 1.00 0.00 C ATOM 754 CG LEU A 61 -2.508 6.302 -13.620 1.00 0.00 C ATOM 755 CD1 LEU A 61 -2.853 7.772 -13.427 1.00 0.00 C ATOM 756 CD2 LEU A 61 -3.482 5.641 -14.584 1.00 0.00 C ATOM 0 H LEU A 61 -0.464 4.724 -12.207 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.260 4.164 -14.931 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.404 6.709 -13.502 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.029 6.646 -15.137 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.581 5.805 -12.653 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.869 7.860 -13.043 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.157 8.219 -12.717 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.780 8.291 -14.383 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.497 5.739 -14.200 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.415 6.125 -15.558 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.233 4.585 -14.686 1.00 0.00 H new ATOM 768 N PRO A 62 0.799 4.659 -16.299 1.00 0.00 N ATOM 769 CA PRO A 62 2.039 4.664 -17.065 1.00 0.00 C ATOM 770 C PRO A 62 2.583 6.078 -17.224 1.00 0.00 C ATOM 771 O PRO A 62 1.866 7.056 -17.016 1.00 0.00 O ATOM 772 CB PRO A 62 1.650 4.038 -18.414 1.00 0.00 C ATOM 773 CG PRO A 62 0.215 4.434 -18.626 1.00 0.00 C ATOM 774 CD PRO A 62 -0.338 4.162 -17.086 1.00 0.00 C ATOM 0 HA PRO A 62 2.840 4.109 -16.576 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.285 4.408 -19.219 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.762 2.954 -18.393 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.103 5.472 -18.940 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.289 3.820 -19.372 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.258 4.707 -16.874 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.542 3.108 -16.899 1.00 0.00 H new ATOM 782 N GLY A 63 3.855 6.179 -17.595 1.00 0.00 N ATOM 783 CA GLY A 63 4.451 7.462 -17.946 1.00 0.00 C ATOM 784 C GLY A 63 5.124 8.106 -16.740 1.00 0.00 C ATOM 785 O GLY A 63 5.247 9.328 -16.666 1.00 0.00 O ATOM 0 H GLY A 63 4.493 5.386 -17.660 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.183 7.320 -18.741 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.682 8.129 -18.335 1.00 0.00 H new ATOM 789 N PHE A 64 5.557 7.276 -15.798 1.00 0.00 N ATOM 790 CA PHE A 64 6.292 7.756 -14.634 1.00 0.00 C ATOM 791 C PHE A 64 7.789 7.529 -14.794 1.00 0.00 C ATOM 792 O PHE A 64 8.219 6.485 -15.286 1.00 0.00 O ATOM 793 CB PHE A 64 5.789 7.066 -13.364 1.00 0.00 C ATOM 794 CG PHE A 64 4.436 7.538 -12.913 1.00 0.00 C ATOM 795 CD1 PHE A 64 4.200 8.881 -12.664 1.00 0.00 C ATOM 796 CD2 PHE A 64 3.395 6.638 -12.738 1.00 0.00 C ATOM 797 CE1 PHE A 64 2.957 9.316 -12.249 1.00 0.00 C ATOM 798 CE2 PHE A 64 2.150 7.070 -12.323 1.00 0.00 C ATOM 799 CZ PHE A 64 1.930 8.409 -12.079 1.00 0.00 C ATOM 0 H PHE A 64 5.412 6.267 -15.818 1.00 0.00 H new ATOM 0 HA PHE A 64 6.118 8.829 -14.549 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.749 5.991 -13.537 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.508 7.233 -12.562 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.998 9.596 -12.796 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.560 5.588 -12.928 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.788 10.365 -12.057 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.349 6.358 -12.190 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.957 8.748 -11.756 1.00 0.00 H new ATOM 809 N PHE A 65 8.579 8.513 -14.380 1.00 0.00 N ATOM 810 CA PHE A 65 10.032 8.420 -14.475 1.00 0.00 C ATOM 811 C PHE A 65 10.666 8.291 -13.097 1.00 0.00 C ATOM 812 O PHE A 65 11.823 8.663 -12.898 1.00 0.00 O ATOM 813 CB PHE A 65 10.598 9.641 -15.203 1.00 0.00 C ATOM 814 CG PHE A 65 10.181 9.735 -16.643 1.00 0.00 C ATOM 815 CD1 PHE A 65 10.900 9.082 -17.633 1.00 0.00 C ATOM 816 CD2 PHE A 65 9.068 10.477 -17.011 1.00 0.00 C ATOM 817 CE1 PHE A 65 10.518 9.168 -18.958 1.00 0.00 C ATOM 818 CE2 PHE A 65 8.684 10.564 -18.336 1.00 0.00 C ATOM 819 CZ PHE A 65 9.409 9.910 -19.309 1.00 0.00 C ATOM 0 H PHE A 65 8.238 9.385 -13.975 1.00 0.00 H new ATOM 0 HA PHE A 65 10.274 7.523 -15.046 1.00 0.00 H new ATOM 0 HB2 PHE A 65 10.278 10.544 -14.682 1.00 0.00 H new ATOM 0 HB3 PHE A 65 11.686 9.611 -15.151 1.00 0.00 H new ATOM 0 HD1 PHE A 65 11.769 8.499 -17.365 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.495 10.992 -16.254 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.087 8.655 -19.719 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.815 11.145 -18.609 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.109 9.978 -20.344 1.00 0.00 H new ATOM 829 N ASN A 66 9.904 7.762 -12.146 1.00 0.00 N ATOM 830 CA ASN A 66 10.382 7.606 -10.778 1.00 0.00 C ATOM 831 C ASN A 66 9.648 6.479 -10.062 1.00 0.00 C ATOM 832 O ASN A 66 8.426 6.358 -10.165 1.00 0.00 O ATOM 833 CB ASN A 66 10.251 8.898 -9.993 1.00 0.00 C ATOM 834 CG ASN A 66 11.016 8.900 -8.699 1.00 0.00 C ATOM 835 OD1 ASN A 66 11.990 8.157 -8.528 1.00 0.00 O ATOM 836 ND2 ASN A 66 10.532 9.670 -7.758 1.00 0.00 N ATOM 0 H ASN A 66 8.950 7.433 -12.298 1.00 0.00 H new ATOM 0 HA ASN A 66 11.439 7.348 -10.835 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.599 9.725 -10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.197 9.079 -9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.961 9.675 -6.832 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.726 10.265 -7.950 1.00 0.00 H new ATOM 843 N ARG A 67 10.398 5.656 -9.339 1.00 0.00 N ATOM 844 CA ARG A 67 9.826 4.509 -8.643 1.00 0.00 C ATOM 845 C ARG A 67 8.810 4.949 -7.598 1.00 0.00 C ATOM 846 O ARG A 67 7.764 4.323 -7.431 1.00 0.00 O ATOM 847 CB ARG A 67 10.895 3.613 -8.037 1.00 0.00 C ATOM 848 CG ARG A 67 10.370 2.353 -7.368 1.00 0.00 C ATOM 849 CD ARG A 67 11.423 1.497 -6.762 1.00 0.00 C ATOM 850 NE ARG A 67 12.132 2.110 -5.651 1.00 0.00 N ATOM 851 CZ ARG A 67 11.650 2.211 -4.397 1.00 0.00 C ATOM 852 NH1 ARG A 67 10.445 1.777 -4.098 1.00 0.00 N ATOM 853 NH2 ARG A 67 12.411 2.781 -3.479 1.00 0.00 N ATOM 0 H ARG A 67 11.405 5.762 -9.219 1.00 0.00 H new ATOM 0 HA ARG A 67 9.301 3.912 -9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.595 3.326 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.458 4.189 -7.303 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.659 2.637 -6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.821 1.766 -8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.966 0.569 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.145 1.229 -7.534 1.00 0.00 H new ATOM 0 HE ARG A 67 13.060 2.491 -5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.861 1.356 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.095 1.861 -3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.336 3.130 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.073 2.872 -2.521 1.00 0.00 H new ATOM 867 N LYS A 68 9.124 6.033 -6.895 1.00 0.00 N ATOM 868 CA LYS A 68 8.233 6.566 -5.870 1.00 0.00 C ATOM 869 C LYS A 68 6.927 7.060 -6.479 1.00 0.00 C ATOM 870 O LYS A 68 5.849 6.827 -5.931 1.00 0.00 O ATOM 871 CB LYS A 68 8.917 7.699 -5.103 1.00 0.00 C ATOM 872 CG LYS A 68 10.063 7.249 -4.206 1.00 0.00 C ATOM 873 CD LYS A 68 10.691 8.428 -3.477 1.00 0.00 C ATOM 874 CE LYS A 68 11.853 7.983 -2.601 1.00 0.00 C ATOM 875 NZ LYS A 68 12.496 9.130 -1.905 1.00 0.00 N ATOM 0 H LYS A 68 9.989 6.560 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 68 8.001 5.758 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.297 8.428 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.172 8.209 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.696 6.524 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.820 6.744 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.041 9.162 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.938 8.921 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.496 7.265 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.594 7.469 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.282 8.784 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.859 9.804 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.796 9.605 -1.300 1.00 0.00 H new ATOM 889 N ALA A 69 7.030 7.743 -7.613 1.00 0.00 N ATOM 890 CA ALA A 69 5.855 8.263 -8.303 1.00 0.00 C ATOM 891 C ALA A 69 4.908 7.139 -8.705 1.00 0.00 C ATOM 892 O ALA A 69 3.698 7.232 -8.505 1.00 0.00 O ATOM 893 CB ALA A 69 6.272 9.070 -9.523 1.00 0.00 C ATOM 0 H ALA A 69 7.916 7.950 -8.075 1.00 0.00 H new ATOM 0 HA ALA A 69 5.322 8.918 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.384 9.452 -10.028 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.899 9.905 -9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.832 8.432 -10.207 1.00 0.00 H new ATOM 899 N ALA A 70 5.469 6.075 -9.272 1.00 0.00 N ATOM 900 CA ALA A 70 4.678 4.921 -9.684 1.00 0.00 C ATOM 901 C ALA A 70 4.033 4.239 -8.486 1.00 0.00 C ATOM 902 O ALA A 70 2.873 3.829 -8.541 1.00 0.00 O ATOM 903 CB ALA A 70 5.543 3.936 -10.456 1.00 0.00 C ATOM 0 H ALA A 70 6.468 5.988 -9.456 1.00 0.00 H new ATOM 0 HA ALA A 70 3.880 5.274 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.939 3.080 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.948 4.424 -11.342 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.363 3.597 -9.822 1.00 0.00 H new ATOM 909 N GLU A 71 4.790 4.121 -7.399 1.00 0.00 N ATOM 910 CA GLU A 71 4.297 3.476 -6.188 1.00 0.00 C ATOM 911 C GLU A 71 3.097 4.221 -5.616 1.00 0.00 C ATOM 912 O GLU A 71 2.096 3.610 -5.244 1.00 0.00 O ATOM 913 CB GLU A 71 5.408 3.385 -5.140 1.00 0.00 C ATOM 914 CG GLU A 71 5.004 2.674 -3.856 1.00 0.00 C ATOM 915 CD GLU A 71 6.158 2.581 -2.897 1.00 0.00 C ATOM 916 OE1 GLU A 71 7.224 3.040 -3.232 1.00 0.00 O ATOM 917 OE2 GLU A 71 5.949 2.153 -1.786 1.00 0.00 O ATOM 0 H GLU A 71 5.748 4.464 -7.333 1.00 0.00 H new ATOM 0 HA GLU A 71 3.977 2.468 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.261 2.865 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.742 4.393 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.179 3.209 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.642 1.673 -4.091 1.00 0.00 H new ATOM 924 N GLN A 72 3.206 5.543 -5.549 1.00 0.00 N ATOM 925 CA GLN A 72 2.120 6.377 -5.049 1.00 0.00 C ATOM 926 C GLN A 72 0.872 6.230 -5.910 1.00 0.00 C ATOM 927 O GLN A 72 -0.242 6.133 -5.396 1.00 0.00 O ATOM 928 CB GLN A 72 2.548 7.846 -5.004 1.00 0.00 C ATOM 929 CG GLN A 72 3.539 8.172 -3.900 1.00 0.00 C ATOM 930 CD GLN A 72 4.046 9.600 -3.981 1.00 0.00 C ATOM 931 OE1 GLN A 72 3.719 10.337 -4.915 1.00 0.00 O ATOM 932 NE2 GLN A 72 4.852 9.997 -3.003 1.00 0.00 N ATOM 0 H GLN A 72 4.037 6.061 -5.835 1.00 0.00 H new ATOM 0 HA GLN A 72 1.884 6.042 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.989 8.114 -5.964 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.662 8.467 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.065 8.012 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.384 7.486 -3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.096 9.353 -2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.227 10.946 -3.005 1.00 0.00 H new ATOM 941 N SER A 73 1.065 6.216 -7.225 1.00 0.00 N ATOM 942 CA SER A 73 -0.035 6.010 -8.159 1.00 0.00 C ATOM 943 C SER A 73 -0.744 4.689 -7.893 1.00 0.00 C ATOM 944 O SER A 73 -1.973 4.627 -7.865 1.00 0.00 O ATOM 945 CB SER A 73 0.476 6.057 -9.586 1.00 0.00 C ATOM 946 OG SER A 73 -0.548 5.849 -10.519 1.00 0.00 O ATOM 0 H SER A 73 1.975 6.345 -7.668 1.00 0.00 H new ATOM 0 HA SER A 73 -0.758 6.813 -8.014 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.944 7.024 -9.771 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.247 5.299 -9.720 1.00 0.00 H new ATOM 0 HG SER A 73 -0.424 6.452 -11.281 1.00 0.00 H new ATOM 952 N ALA A 74 0.039 3.633 -7.696 1.00 0.00 N ATOM 953 CA ALA A 74 -0.511 2.320 -7.378 1.00 0.00 C ATOM 954 C ALA A 74 -1.364 2.370 -6.118 1.00 0.00 C ATOM 955 O ALA A 74 -2.464 1.818 -6.078 1.00 0.00 O ATOM 956 CB ALA A 74 0.607 1.301 -7.225 1.00 0.00 C ATOM 0 H ALA A 74 1.057 3.661 -7.751 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.153 2.014 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.181 0.326 -6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.169 1.234 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.274 1.611 -6.421 1.00 0.00 H new ATOM 962 N ALA A 75 -0.852 3.037 -5.089 1.00 0.00 N ATOM 963 CA ALA A 75 -1.580 3.189 -3.835 1.00 0.00 C ATOM 964 C ALA A 75 -2.885 3.947 -4.045 1.00 0.00 C ATOM 965 O ALA A 75 -3.918 3.591 -3.477 1.00 0.00 O ATOM 966 CB ALA A 75 -0.716 3.895 -2.801 1.00 0.00 C ATOM 0 H ALA A 75 0.066 3.482 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.825 2.193 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.275 4.000 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.185 3.309 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.439 4.882 -3.171 1.00 0.00 H new ATOM 972 N GLU A 76 -2.831 4.992 -4.861 1.00 0.00 N ATOM 973 CA GLU A 76 -4.014 5.791 -5.161 1.00 0.00 C ATOM 974 C GLU A 76 -5.096 4.946 -5.820 1.00 0.00 C ATOM 975 O GLU A 76 -6.278 5.073 -5.498 1.00 0.00 O ATOM 976 CB GLU A 76 -3.647 6.973 -6.063 1.00 0.00 C ATOM 977 CG GLU A 76 -4.815 7.887 -6.406 1.00 0.00 C ATOM 978 CD GLU A 76 -5.321 8.608 -5.187 1.00 0.00 C ATOM 979 OE1 GLU A 76 -4.662 8.562 -4.177 1.00 0.00 O ATOM 980 OE2 GLU A 76 -6.308 9.297 -5.297 1.00 0.00 O ATOM 0 H GLU A 76 -1.980 5.307 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.407 6.173 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.872 7.562 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.218 6.589 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.503 8.613 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.622 7.300 -6.845 1.00 0.00 H new ATOM 987 N VAL A 77 -4.687 4.085 -6.745 1.00 0.00 N ATOM 988 CA VAL A 77 -5.615 3.183 -7.417 1.00 0.00 C ATOM 989 C VAL A 77 -6.292 2.249 -6.423 1.00 0.00 C ATOM 990 O VAL A 77 -7.507 2.056 -6.465 1.00 0.00 O ATOM 991 CB VAL A 77 -4.906 2.343 -8.495 1.00 0.00 C ATOM 992 CG1 VAL A 77 -5.834 1.258 -9.020 1.00 0.00 C ATOM 993 CG2 VAL A 77 -4.429 3.231 -9.634 1.00 0.00 C ATOM 0 H VAL A 77 -3.717 3.993 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.369 3.808 -7.895 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.037 1.865 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.317 0.674 -9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.130 0.604 -8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.721 1.718 -9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.930 2.621 -10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.284 3.736 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.731 3.974 -9.248 1.00 0.00 H new ATOM 1003 N ALA A 78 -5.499 1.669 -5.527 1.00 0.00 N ATOM 1004 CA ALA A 78 -6.025 0.776 -4.502 1.00 0.00 C ATOM 1005 C ALA A 78 -7.011 1.499 -3.594 1.00 0.00 C ATOM 1006 O ALA A 78 -8.045 0.947 -3.219 1.00 0.00 O ATOM 1007 CB ALA A 78 -4.888 0.180 -3.686 1.00 0.00 C ATOM 0 H ALA A 78 -4.488 1.802 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.560 -0.032 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.296 -0.485 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.226 -0.384 -4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.326 0.981 -3.205 1.00 0.00 H new ATOM 1013 N LEU A 79 -6.686 2.740 -3.243 1.00 0.00 N ATOM 1014 CA LEU A 79 -7.520 3.525 -2.343 1.00 0.00 C ATOM 1015 C LEU A 79 -8.836 3.910 -3.005 1.00 0.00 C ATOM 1016 O LEU A 79 -9.896 3.851 -2.383 1.00 0.00 O ATOM 1017 CB LEU A 79 -6.767 4.780 -1.883 1.00 0.00 C ATOM 1018 CG LEU A 79 -7.537 5.684 -0.911 1.00 0.00 C ATOM 1019 CD1 LEU A 79 -7.872 4.916 0.361 1.00 0.00 C ATOM 1020 CD2 LEU A 79 -6.704 6.916 -0.593 1.00 0.00 C ATOM 0 H LEU A 79 -5.849 3.223 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.750 2.910 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.836 4.472 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.497 5.365 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.471 6.003 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.418 5.565 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.487 4.051 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.950 4.581 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.252 7.557 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.763 6.611 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.499 7.464 -1.513 1.00 0.00 H new ATOM 1032 N ARG A 80 -8.761 4.304 -4.272 1.00 0.00 N ATOM 1033 CA ARG A 80 -9.950 4.682 -5.028 1.00 0.00 C ATOM 1034 C ARG A 80 -10.892 3.498 -5.201 1.00 0.00 C ATOM 1035 O ARG A 80 -12.108 3.634 -5.057 1.00 0.00 O ATOM 1036 CB ARG A 80 -9.601 5.317 -6.366 1.00 0.00 C ATOM 1037 CG ARG A 80 -8.997 6.709 -6.276 1.00 0.00 C ATOM 1038 CD ARG A 80 -8.602 7.292 -7.584 1.00 0.00 C ATOM 1039 NE ARG A 80 -8.002 8.613 -7.498 1.00 0.00 N ATOM 1040 CZ ARG A 80 -7.511 9.300 -8.548 1.00 0.00 C ATOM 1041 NH1 ARG A 80 -7.511 8.782 -9.757 1.00 0.00 N ATOM 1042 NH2 ARG A 80 -7.005 10.501 -8.328 1.00 0.00 N ATOM 0 H ARG A 80 -7.889 4.370 -4.797 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.472 5.441 -4.446 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -8.900 4.666 -6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.504 5.367 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.716 7.374 -5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.120 6.670 -5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.897 6.618 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.483 7.348 -8.224 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.949 9.051 -6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.887 7.846 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.135 9.316 -10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.993 10.884 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.626 11.045 -9.103 1.00 0.00 H new ATOM 1056 N GLU A 81 -10.327 2.337 -5.512 1.00 0.00 N ATOM 1057 CA GLU A 81 -11.113 1.121 -5.677 1.00 0.00 C ATOM 1058 C GLU A 81 -11.704 0.663 -4.350 1.00 0.00 C ATOM 1059 O GLU A 81 -12.764 0.039 -4.314 1.00 0.00 O ATOM 1060 CB GLU A 81 -10.256 0.007 -6.283 1.00 0.00 C ATOM 1061 CG GLU A 81 -9.858 0.240 -7.734 1.00 0.00 C ATOM 1062 CD GLU A 81 -11.066 0.391 -8.615 1.00 0.00 C ATOM 1063 OE1 GLU A 81 -11.920 -0.462 -8.572 1.00 0.00 O ATOM 1064 OE2 GLU A 81 -11.192 1.414 -9.246 1.00 0.00 O ATOM 0 H GLU A 81 -9.325 2.213 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.935 1.345 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.352 -0.106 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.803 -0.933 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.240 1.135 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.251 -0.595 -8.085 1.00 0.00 H new ATOM 1071 N LEU A 82 -11.012 0.976 -3.260 1.00 0.00 N ATOM 1072 CA LEU A 82 -11.523 0.702 -1.922 1.00 0.00 C ATOM 1073 C LEU A 82 -12.732 1.575 -1.605 1.00 0.00 C ATOM 1074 O LEU A 82 -13.719 1.101 -1.043 1.00 0.00 O ATOM 1075 CB LEU A 82 -10.420 0.918 -0.879 1.00 0.00 C ATOM 1076 CG LEU A 82 -10.833 0.645 0.573 1.00 0.00 C ATOM 1077 CD1 LEU A 82 -11.264 -0.806 0.730 1.00 0.00 C ATOM 1078 CD2 LEU A 82 -9.670 0.966 1.501 1.00 0.00 C ATOM 0 H LEU A 82 -10.094 1.420 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.843 -0.339 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.576 0.274 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.069 1.947 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.678 1.281 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.555 -0.989 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.111 -1.007 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.435 -1.462 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.963 0.772 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.815 0.341 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.397 2.016 1.393 1.00 0.00 H new ATOM 1090 N ALA A 83 -12.645 2.849 -1.968 1.00 0.00 N ATOM 1091 CA ALA A 83 -13.755 3.776 -1.777 1.00 0.00 C ATOM 1092 C ALA A 83 -14.963 3.368 -2.611 1.00 0.00 C ATOM 1093 O ALA A 83 -16.107 3.549 -2.193 1.00 0.00 O ATOM 1094 CB ALA A 83 -13.326 5.193 -2.120 1.00 0.00 C ATOM 0 H ALA A 83 -11.818 3.264 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.046 3.742 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.165 5.873 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.500 5.490 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.004 5.234 -3.161 1.00 0.00 H new ATOM 1100 N LYS A 84 -14.702 2.817 -3.792 1.00 0.00 N ATOM 1101 CA LYS A 84 -15.765 2.323 -4.658 1.00 0.00 C ATOM 1102 C LYS A 84 -16.467 1.122 -4.039 1.00 0.00 C ATOM 1103 O LYS A 84 -17.691 1.004 -4.104 1.00 0.00 O ATOM 1104 CB LYS A 84 -15.207 1.955 -6.034 1.00 0.00 C ATOM 1105 CG LYS A 84 -14.775 3.147 -6.877 1.00 0.00 C ATOM 1106 CD LYS A 84 -14.193 2.700 -8.210 1.00 0.00 C ATOM 1107 CE LYS A 84 -13.698 3.886 -9.024 1.00 0.00 C ATOM 1108 NZ LYS A 84 -13.085 3.460 -10.312 1.00 0.00 N ATOM 0 H LYS A 84 -13.762 2.702 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.497 3.122 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.353 1.291 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.964 1.394 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.630 3.800 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.034 3.731 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.370 2.007 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.951 2.158 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.530 4.561 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.966 4.446 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.626 4.276 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.376 2.721 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.824 3.085 -10.941 1.00 0.00 H new ATOM 1122 N SER A 85 -15.685 0.232 -3.438 1.00 0.00 N ATOM 1123 CA SER A 85 -16.229 -0.973 -2.821 1.00 0.00 C ATOM 1124 C SER A 85 -16.818 -0.671 -1.450 1.00 0.00 C ATOM 1125 O SER A 85 -17.628 -1.439 -0.929 1.00 0.00 O ATOM 1126 CB SER A 85 -15.152 -2.035 -2.712 1.00 0.00 C ATOM 1127 OG SER A 85 -14.141 -1.669 -1.813 1.00 0.00 O ATOM 0 H SER A 85 -14.672 0.322 -3.365 1.00 0.00 H new ATOM 0 HA SER A 85 -17.033 -1.347 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.601 -2.974 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.716 -2.211 -3.695 1.00 0.00 H new ATOM 0 HG SER A 85 -14.146 -0.696 -1.693 1.00 0.00 H new ATOM 1133 N SER A 86 -16.407 0.450 -0.868 1.00 0.00 N ATOM 1134 CA SER A 86 -16.917 0.871 0.432 1.00 0.00 C ATOM 1135 C SER A 86 -18.421 1.107 0.383 1.00 0.00 C ATOM 1136 O SER A 86 -18.929 1.749 -0.536 1.00 0.00 O ATOM 1137 CB SER A 86 -16.200 2.125 0.893 1.00 0.00 C ATOM 1138 OG SER A 86 -16.688 2.590 2.121 1.00 0.00 O ATOM 0 H SER A 86 -15.721 1.085 -1.277 1.00 0.00 H new ATOM 0 HA SER A 86 -16.727 0.071 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.133 1.920 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.313 2.905 0.140 1.00 0.00 H new ATOM 0 HG SER A 86 -16.199 3.398 2.383 1.00 0.00 H new TER 1144 SER A 86