USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 17 HIS : no HE2:sc= -17.9! C(o=-18!,f=-21!) USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= -0.378 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.166) USER MOD Set 2.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.7!) USER MOD Single : A 9 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.15) USER MOD Single : A 12 SER OG : rot 180:sc= -0.57 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.371 USER MOD Single : A 33 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.8!) USER MOD Single : A 40 CYS SG : rot 57:sc= -0.189 USER MOD Single : A 42 THR OG1 : rot -131:sc= 0.819 USER MOD Single : A 47 TYR OH : rot -57:sc= -6.73! USER MOD Single : A 55 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.044) USER MOD Single : A 58 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.89) USER MOD Single : A 59 SER OG : rot 76:sc= -0.47 USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.278) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -2.3 K(o=-2.3,f=-3.9!) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -0.677 (180deg=-0.718) USER MOD Single : A 82 CYS SG : rot 100:sc= -0.275 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 65:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -4.475 4.320 9.865 1.00 0.00 N ATOM 26 CA LYS A 2 -3.212 4.935 9.372 1.00 0.00 C ATOM 27 C LYS A 2 -2.302 3.860 8.784 1.00 0.00 C ATOM 28 O LYS A 2 -2.161 2.780 9.322 1.00 0.00 O ATOM 29 CB LYS A 2 -2.480 5.615 10.527 1.00 0.00 C ATOM 30 CG LYS A 2 -2.471 7.129 10.314 1.00 0.00 C ATOM 31 CD LYS A 2 -1.190 7.719 10.912 1.00 0.00 C ATOM 32 CE LYS A 2 0.017 7.281 10.078 1.00 0.00 C ATOM 33 NZ LYS A 2 1.265 7.816 10.694 1.00 0.00 N ATOM 0 HA LYS A 2 -3.460 5.669 8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.968 5.374 11.471 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.458 5.242 10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.528 7.358 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.346 7.579 10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.254 8.807 10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.072 7.387 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.061 6.193 10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.082 7.645 9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.086 7.519 10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.221 8.855 10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.360 7.448 11.662 1.00 0.00 H new ATOM 47 N ALA A 3 -1.671 4.163 7.689 1.00 0.00 N ATOM 48 CA ALA A 3 -0.747 3.183 7.055 1.00 0.00 C ATOM 49 C ALA A 3 0.653 3.797 6.975 1.00 0.00 C ATOM 50 O ALA A 3 0.810 5.000 6.919 1.00 0.00 O ATOM 51 CB ALA A 3 -1.240 2.847 5.646 1.00 0.00 C ATOM 0 H ALA A 3 -1.755 5.054 7.200 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.716 2.270 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.562 2.129 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.240 2.416 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.271 3.756 5.045 1.00 0.00 H new ATOM 57 N VAL A 4 1.672 2.983 6.976 1.00 0.00 N ATOM 58 CA VAL A 4 3.059 3.524 6.905 1.00 0.00 C ATOM 59 C VAL A 4 3.936 2.564 6.104 1.00 0.00 C ATOM 60 O VAL A 4 4.136 1.428 6.486 1.00 0.00 O ATOM 61 CB VAL A 4 3.622 3.663 8.320 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.055 4.198 8.252 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.748 4.632 9.121 1.00 0.00 C ATOM 0 H VAL A 4 1.605 1.966 7.023 1.00 0.00 H new ATOM 0 HA VAL A 4 3.046 4.500 6.419 1.00 0.00 H new ATOM 0 HB VAL A 4 3.625 2.688 8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.455 4.297 9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.675 3.506 7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.057 5.173 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.147 4.733 10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.744 5.607 8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.729 4.247 9.171 1.00 0.00 H new ATOM 73 N ILE A 5 4.462 3.004 4.994 1.00 0.00 N ATOM 74 CA ILE A 5 5.323 2.099 4.180 1.00 0.00 C ATOM 75 C ILE A 5 6.795 2.415 4.434 1.00 0.00 C ATOM 76 O ILE A 5 7.389 3.245 3.775 1.00 0.00 O ATOM 77 CB ILE A 5 5.005 2.278 2.700 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.473 2.231 2.518 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.701 1.161 1.911 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.075 1.324 1.345 1.00 0.00 C ATOM 0 H ILE A 5 4.335 3.943 4.617 1.00 0.00 H new ATOM 0 HA ILE A 5 5.126 1.066 4.467 1.00 0.00 H new ATOM 0 HB ILE A 5 5.367 3.237 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.007 1.868 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.095 3.239 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.483 1.275 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.778 1.221 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.337 0.192 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.990 1.314 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.521 1.702 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.432 0.311 1.531 1.00 0.00 H new ATOM 92 N ASN A 6 7.388 1.751 5.383 1.00 0.00 N ATOM 93 CA ASN A 6 8.820 1.999 5.687 1.00 0.00 C ATOM 94 C ASN A 6 9.689 1.224 4.693 1.00 0.00 C ATOM 95 O ASN A 6 9.924 0.042 4.848 1.00 0.00 O ATOM 96 CB ASN A 6 9.112 1.526 7.111 1.00 0.00 C ATOM 97 CG ASN A 6 8.711 2.618 8.105 1.00 0.00 C ATOM 98 OD1 ASN A 6 8.285 3.686 7.712 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.830 2.394 9.385 1.00 0.00 N ATOM 0 H ASN A 6 6.939 1.043 5.964 1.00 0.00 H new ATOM 0 HA ASN A 6 9.043 3.063 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.562 0.609 7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.172 1.293 7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.565 3.115 10.056 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.188 1.497 9.715 1.00 0.00 H new ATOM 106 N GLY A 7 10.159 1.879 3.667 1.00 0.00 N ATOM 107 CA GLY A 7 11.003 1.181 2.655 1.00 0.00 C ATOM 108 C GLY A 7 12.271 0.638 3.318 1.00 0.00 C ATOM 109 O GLY A 7 12.668 -0.487 3.088 1.00 0.00 O ATOM 0 H GLY A 7 9.995 2.869 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.441 0.364 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.268 1.870 1.853 1.00 0.00 H new ATOM 113 N GLU A 8 12.913 1.429 4.133 1.00 0.00 N ATOM 114 CA GLU A 8 14.158 0.958 4.804 1.00 0.00 C ATOM 115 C GLU A 8 13.962 -0.474 5.306 1.00 0.00 C ATOM 116 O GLU A 8 14.891 -1.256 5.356 1.00 0.00 O ATOM 117 CB GLU A 8 14.476 1.873 5.989 1.00 0.00 C ATOM 118 CG GLU A 8 13.177 2.261 6.698 1.00 0.00 C ATOM 119 CD GLU A 8 13.479 2.628 8.152 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.616 2.459 8.561 1.00 0.00 O ATOM 121 OE2 GLU A 8 12.569 3.071 8.832 1.00 0.00 O ATOM 0 H GLU A 8 12.629 2.381 4.364 1.00 0.00 H new ATOM 0 HA GLU A 8 14.983 0.982 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.145 1.366 6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.995 2.767 5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.710 3.104 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.469 1.434 6.660 1.00 0.00 H new ATOM 128 N GLN A 9 12.763 -0.825 5.682 1.00 0.00 N ATOM 129 CA GLN A 9 12.514 -2.203 6.185 1.00 0.00 C ATOM 130 C GLN A 9 12.133 -3.121 5.022 1.00 0.00 C ATOM 131 O GLN A 9 12.619 -4.229 4.911 1.00 0.00 O ATOM 132 CB GLN A 9 11.371 -2.167 7.200 1.00 0.00 C ATOM 133 CG GLN A 9 11.764 -1.271 8.374 1.00 0.00 C ATOM 134 CD GLN A 9 12.315 -2.131 9.512 1.00 0.00 C ATOM 135 OE1 GLN A 9 13.351 -1.830 10.072 1.00 0.00 O ATOM 136 NE2 GLN A 9 11.662 -3.199 9.881 1.00 0.00 N ATOM 0 H GLN A 9 11.945 -0.216 5.662 1.00 0.00 H new ATOM 0 HA GLN A 9 13.418 -2.584 6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.463 -1.791 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.152 -3.174 7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.513 -0.546 8.057 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.899 -0.705 8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.793 -3.453 9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.021 -3.780 10.639 1.00 0.00 H new ATOM 145 N ILE A 10 11.260 -2.674 4.163 1.00 0.00 N ATOM 146 CA ILE A 10 10.839 -3.523 3.015 1.00 0.00 C ATOM 147 C ILE A 10 12.054 -4.226 2.413 1.00 0.00 C ATOM 148 O ILE A 10 13.052 -3.611 2.095 1.00 0.00 O ATOM 149 CB ILE A 10 10.173 -2.658 1.944 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.790 -2.235 2.431 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.026 -3.466 0.651 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.905 -3.470 2.568 1.00 0.00 C ATOM 0 H ILE A 10 10.819 -1.755 4.207 1.00 0.00 H new ATOM 0 HA ILE A 10 10.129 -4.269 3.372 1.00 0.00 H new ATOM 0 HB ILE A 10 10.785 -1.776 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.870 -1.723 3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.344 -1.530 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.551 -2.849 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.011 -3.779 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.411 -4.346 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.916 -3.172 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.816 -3.963 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.350 -4.159 3.286 1.00 0.00 H new ATOM 164 N ARG A 11 11.968 -5.514 2.255 1.00 0.00 N ATOM 165 CA ARG A 11 13.096 -6.275 1.676 1.00 0.00 C ATOM 166 C ARG A 11 12.627 -6.984 0.402 1.00 0.00 C ATOM 167 O ARG A 11 13.369 -7.718 -0.220 1.00 0.00 O ATOM 168 CB ARG A 11 13.561 -7.308 2.697 1.00 0.00 C ATOM 169 CG ARG A 11 14.358 -6.611 3.801 1.00 0.00 C ATOM 170 CD ARG A 11 15.807 -7.103 3.781 1.00 0.00 C ATOM 171 NE ARG A 11 16.501 -6.645 5.019 1.00 0.00 N ATOM 172 CZ ARG A 11 17.639 -7.180 5.365 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.738 -6.828 4.758 1.00 0.00 N ATOM 174 NH2 ARG A 11 17.678 -8.067 6.322 1.00 0.00 N ATOM 0 H ARG A 11 11.154 -6.075 2.506 1.00 0.00 H new ATOM 0 HA ARG A 11 13.918 -5.602 1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.702 -7.824 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.178 -8.064 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.329 -5.531 3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.908 -6.816 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.833 -8.191 3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.321 -6.720 2.899 1.00 0.00 H new ATOM 0 HE ARG A 11 16.086 -5.913 5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.708 -6.133 4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.627 -7.247 5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.819 -8.341 6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.568 -8.486 6.593 1.00 0.00 H new ATOM 188 N SER A 12 11.397 -6.772 0.009 1.00 0.00 N ATOM 189 CA SER A 12 10.885 -7.437 -1.223 1.00 0.00 C ATOM 190 C SER A 12 9.433 -7.018 -1.477 1.00 0.00 C ATOM 191 O SER A 12 8.803 -6.373 -0.657 1.00 0.00 O ATOM 192 CB SER A 12 10.952 -8.954 -1.046 1.00 0.00 C ATOM 193 OG SER A 12 11.103 -9.258 0.335 1.00 0.00 O ATOM 0 H SER A 12 10.728 -6.169 0.488 1.00 0.00 H new ATOM 0 HA SER A 12 11.498 -7.138 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.046 -9.418 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.788 -9.362 -1.614 1.00 0.00 H new ATOM 0 HG SER A 12 11.145 -10.230 0.453 1.00 0.00 H new ATOM 199 N ILE A 13 8.893 -7.388 -2.607 1.00 0.00 N ATOM 200 CA ILE A 13 7.484 -7.022 -2.915 1.00 0.00 C ATOM 201 C ILE A 13 6.577 -7.601 -1.831 1.00 0.00 C ATOM 202 O ILE A 13 5.730 -6.920 -1.287 1.00 0.00 O ATOM 203 CB ILE A 13 7.091 -7.598 -4.276 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.686 -7.122 -4.648 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.105 -9.122 -4.199 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.578 -5.612 -4.425 1.00 0.00 C ATOM 0 H ILE A 13 9.369 -7.928 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 13 7.380 -5.937 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 13 7.799 -7.261 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.474 -7.362 -5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.943 -7.643 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.825 -9.538 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.105 -9.464 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.394 -9.455 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.576 -5.276 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.771 -5.384 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.310 -5.099 -5.048 1.00 0.00 H new ATOM 218 N SER A 14 6.764 -8.849 -1.494 1.00 0.00 N ATOM 219 CA SER A 14 5.929 -9.456 -0.426 1.00 0.00 C ATOM 220 C SER A 14 6.012 -8.552 0.795 1.00 0.00 C ATOM 221 O SER A 14 5.034 -8.290 1.462 1.00 0.00 O ATOM 222 CB SER A 14 6.476 -10.836 -0.075 1.00 0.00 C ATOM 223 OG SER A 14 5.656 -11.427 0.924 1.00 0.00 O ATOM 0 H SER A 14 7.457 -9.470 -1.912 1.00 0.00 H new ATOM 0 HA SER A 14 4.896 -9.560 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.499 -11.467 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.502 -10.753 0.283 1.00 0.00 H new ATOM 0 HG SER A 14 6.004 -12.315 1.150 1.00 0.00 H new ATOM 229 N ASP A 15 7.186 -8.066 1.077 1.00 0.00 N ATOM 230 CA ASP A 15 7.370 -7.160 2.235 1.00 0.00 C ATOM 231 C ASP A 15 6.478 -5.935 2.060 1.00 0.00 C ATOM 232 O ASP A 15 5.852 -5.469 2.988 1.00 0.00 O ATOM 233 CB ASP A 15 8.824 -6.702 2.292 1.00 0.00 C ATOM 234 CG ASP A 15 9.444 -7.122 3.626 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.908 -6.738 4.652 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.444 -7.819 3.598 1.00 0.00 O ATOM 0 H ASP A 15 8.035 -8.262 0.546 1.00 0.00 H new ATOM 0 HA ASP A 15 7.109 -7.686 3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.385 -7.138 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.879 -5.619 2.179 1.00 0.00 H new ATOM 241 N LEU A 16 6.425 -5.410 0.869 1.00 0.00 N ATOM 242 CA LEU A 16 5.582 -4.210 0.613 1.00 0.00 C ATOM 243 C LEU A 16 4.133 -4.540 0.951 1.00 0.00 C ATOM 244 O LEU A 16 3.519 -3.937 1.812 1.00 0.00 O ATOM 245 CB LEU A 16 5.685 -3.843 -0.867 1.00 0.00 C ATOM 246 CG LEU A 16 4.926 -2.544 -1.135 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.287 -1.507 -0.068 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.319 -2.013 -2.513 1.00 0.00 C ATOM 0 H LEU A 16 6.932 -5.762 0.057 1.00 0.00 H new ATOM 0 HA LEU A 16 5.920 -3.375 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.731 -3.728 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.276 -4.647 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 16 3.853 -2.733 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.744 -0.582 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.015 -1.888 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.359 -1.312 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.782 -1.086 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.392 -1.823 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.064 -2.751 -3.274 1.00 0.00 H new ATOM 260 N HIS A 17 3.594 -5.508 0.276 1.00 0.00 N ATOM 261 CA HIS A 17 2.196 -5.919 0.531 1.00 0.00 C ATOM 262 C HIS A 17 2.083 -6.401 1.976 1.00 0.00 C ATOM 263 O HIS A 17 1.008 -6.487 2.537 1.00 0.00 O ATOM 264 CB HIS A 17 1.850 -7.049 -0.436 1.00 0.00 C ATOM 265 CG HIS A 17 2.257 -6.643 -1.826 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.868 -5.436 -2.386 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.020 -7.270 -2.779 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.393 -5.375 -3.623 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.104 -6.468 -3.914 1.00 0.00 N ATOM 0 H HIS A 17 4.071 -6.039 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 17 1.507 -5.088 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.365 -7.965 -0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.781 -7.260 -0.403 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.289 -4.724 -1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.485 -8.238 -2.666 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.256 -4.544 -4.299 1.00 0.00 H new ATOM 277 N GLN A 18 3.196 -6.708 2.582 1.00 0.00 N ATOM 278 CA GLN A 18 3.183 -7.175 3.986 1.00 0.00 C ATOM 279 C GLN A 18 2.830 -6.003 4.897 1.00 0.00 C ATOM 280 O GLN A 18 1.908 -6.073 5.682 1.00 0.00 O ATOM 281 CB GLN A 18 4.567 -7.709 4.358 1.00 0.00 C ATOM 282 CG GLN A 18 4.492 -9.222 4.567 1.00 0.00 C ATOM 283 CD GLN A 18 3.493 -9.535 5.683 1.00 0.00 C ATOM 284 OE1 GLN A 18 3.364 -8.781 6.628 1.00 0.00 O ATOM 285 NE2 GLN A 18 2.774 -10.622 5.614 1.00 0.00 N ATOM 0 H GLN A 18 4.121 -6.653 2.155 1.00 0.00 H new ATOM 0 HA GLN A 18 2.445 -7.969 4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.282 -7.475 3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.924 -7.223 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.186 -9.713 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.476 -9.613 4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.882 -11.255 4.822 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.105 -10.838 6.352 1.00 0.00 H new ATOM 294 N THR A 19 3.557 -4.924 4.797 1.00 0.00 N ATOM 295 CA THR A 19 3.262 -3.752 5.650 1.00 0.00 C ATOM 296 C THR A 19 1.870 -3.234 5.281 1.00 0.00 C ATOM 297 O THR A 19 1.083 -2.881 6.132 1.00 0.00 O ATOM 298 CB THR A 19 4.346 -2.671 5.433 1.00 0.00 C ATOM 299 OG1 THR A 19 5.023 -2.445 6.661 1.00 0.00 O ATOM 300 CG2 THR A 19 3.729 -1.348 4.965 1.00 0.00 C ATOM 0 H THR A 19 4.343 -4.809 4.158 1.00 0.00 H new ATOM 0 HA THR A 19 3.272 -4.022 6.706 1.00 0.00 H new ATOM 0 HB THR A 19 5.034 -3.025 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.714 -1.762 6.533 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.518 -0.609 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.203 -1.505 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.027 -0.988 5.717 1.00 0.00 H new ATOM 308 N LEU A 20 1.561 -3.198 4.014 1.00 0.00 N ATOM 309 CA LEU A 20 0.226 -2.722 3.590 1.00 0.00 C ATOM 310 C LEU A 20 -0.831 -3.634 4.208 1.00 0.00 C ATOM 311 O LEU A 20 -1.903 -3.217 4.573 1.00 0.00 O ATOM 312 CB LEU A 20 0.132 -2.802 2.069 1.00 0.00 C ATOM 313 CG LEU A 20 1.011 -1.721 1.435 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.862 -1.780 -0.083 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.577 -0.339 1.938 1.00 0.00 C ATOM 0 H LEU A 20 2.182 -3.480 3.256 1.00 0.00 H new ATOM 0 HA LEU A 20 0.069 -1.693 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.449 -3.787 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.903 -2.673 1.753 1.00 0.00 H new ATOM 0 HG LEU A 20 2.052 -1.892 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.486 -1.012 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.173 -2.761 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.180 -1.609 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.205 0.427 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.464 -0.163 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.680 -0.298 3.022 1.00 0.00 H new ATOM 327 N LYS A 21 -0.515 -4.886 4.313 1.00 0.00 N ATOM 328 CA LYS A 21 -1.464 -5.876 4.898 1.00 0.00 C ATOM 329 C LYS A 21 -1.614 -5.631 6.400 1.00 0.00 C ATOM 330 O LYS A 21 -2.687 -5.739 6.949 1.00 0.00 O ATOM 331 CB LYS A 21 -0.920 -7.286 4.672 1.00 0.00 C ATOM 332 CG LYS A 21 -1.777 -8.296 5.437 1.00 0.00 C ATOM 333 CD LYS A 21 -0.967 -8.877 6.597 1.00 0.00 C ATOM 334 CE LYS A 21 -1.903 -9.619 7.553 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.011 -8.859 8.831 1.00 0.00 N ATOM 0 H LYS A 21 0.378 -5.279 4.014 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.436 -5.769 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.925 -7.522 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.116 -7.345 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.678 -7.812 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.100 -9.095 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.204 -9.557 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.447 -8.079 7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.888 -9.732 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.523 -10.623 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.824 -9.210 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.141 -8.987 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.144 -7.849 8.624 1.00 0.00 H new ATOM 349 N LYS A 22 -0.549 -5.305 7.072 1.00 0.00 N ATOM 350 CA LYS A 22 -0.643 -5.054 8.529 1.00 0.00 C ATOM 351 C LYS A 22 -1.510 -3.820 8.751 1.00 0.00 C ATOM 352 O LYS A 22 -2.502 -3.848 9.452 1.00 0.00 O ATOM 353 CB LYS A 22 0.752 -4.792 9.087 1.00 0.00 C ATOM 354 CG LYS A 22 1.583 -6.075 9.016 1.00 0.00 C ATOM 355 CD LYS A 22 1.869 -6.578 10.432 1.00 0.00 C ATOM 356 CE LYS A 22 0.660 -7.358 10.950 1.00 0.00 C ATOM 357 NZ LYS A 22 1.025 -8.795 11.103 1.00 0.00 N ATOM 0 H LYS A 22 0.384 -5.202 6.672 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.079 -5.918 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.239 -4.000 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.683 -4.448 10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.047 -6.837 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.519 -5.886 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.753 -7.215 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.083 -5.737 11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.334 -6.951 11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.176 -7.256 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.203 -9.326 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.317 -9.179 10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.810 -8.884 11.779 1.00 0.00 H new ATOM 371 N GLU A 23 -1.134 -2.741 8.134 1.00 0.00 N ATOM 372 CA GLU A 23 -1.897 -1.483 8.256 1.00 0.00 C ATOM 373 C GLU A 23 -3.324 -1.724 7.777 1.00 0.00 C ATOM 374 O GLU A 23 -4.272 -1.695 8.536 1.00 0.00 O ATOM 375 CB GLU A 23 -1.224 -0.448 7.360 1.00 0.00 C ATOM 376 CG GLU A 23 0.189 -0.174 7.877 1.00 0.00 C ATOM 377 CD GLU A 23 0.119 0.688 9.138 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.928 0.702 9.765 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.113 1.320 9.455 1.00 0.00 O ATOM 0 H GLU A 23 -0.309 -2.681 7.537 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.920 -1.135 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.184 -0.811 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.805 0.474 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.695 -1.114 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.775 0.333 7.110 1.00 0.00 H new ATOM 386 N LEU A 24 -3.463 -1.974 6.511 1.00 0.00 N ATOM 387 CA LEU A 24 -4.796 -2.239 5.919 1.00 0.00 C ATOM 388 C LEU A 24 -5.431 -3.452 6.600 1.00 0.00 C ATOM 389 O LEU A 24 -6.607 -3.716 6.445 1.00 0.00 O ATOM 390 CB LEU A 24 -4.605 -2.547 4.436 1.00 0.00 C ATOM 391 CG LEU A 24 -3.969 -1.345 3.738 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.974 -1.842 2.689 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.059 -0.515 3.058 1.00 0.00 C ATOM 0 H LEU A 24 -2.690 -2.006 5.846 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.443 -1.372 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.972 -3.426 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.565 -2.780 3.976 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.450 -0.727 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.517 -0.989 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.199 -2.435 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.495 -2.457 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.606 0.342 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.578 -1.129 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.770 -0.166 3.806 1.00 0.00 H new ATOM 405 N ALA A 25 -4.663 -4.204 7.341 1.00 0.00 N ATOM 406 CA ALA A 25 -5.226 -5.402 8.009 1.00 0.00 C ATOM 407 C ALA A 25 -5.906 -6.285 6.961 1.00 0.00 C ATOM 408 O ALA A 25 -7.036 -6.701 7.119 1.00 0.00 O ATOM 409 CB ALA A 25 -6.236 -4.950 9.054 1.00 0.00 C ATOM 0 H ALA A 25 -3.671 -4.037 7.510 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.436 -5.974 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.658 -5.822 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.740 -4.316 9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.034 -4.388 8.569 1.00 0.00 H new ATOM 415 N LEU A 26 -5.217 -6.572 5.888 1.00 0.00 N ATOM 416 CA LEU A 26 -5.809 -7.425 4.819 1.00 0.00 C ATOM 417 C LEU A 26 -5.894 -8.872 5.314 1.00 0.00 C ATOM 418 O LEU A 26 -5.193 -9.254 6.230 1.00 0.00 O ATOM 419 CB LEU A 26 -4.922 -7.365 3.571 1.00 0.00 C ATOM 420 CG LEU A 26 -4.595 -5.907 3.244 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.523 -5.851 2.159 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.859 -5.198 2.750 1.00 0.00 C ATOM 0 H LEU A 26 -4.266 -6.250 5.707 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.808 -7.064 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.002 -7.926 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.431 -7.832 2.728 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.226 -5.411 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.293 -4.811 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.622 -6.353 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.888 -6.349 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.626 -4.159 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.229 -5.697 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.623 -5.233 3.527 1.00 0.00 H new ATOM 434 N PRO A 27 -6.754 -9.636 4.688 1.00 0.00 N ATOM 435 CA PRO A 27 -6.952 -11.051 5.045 1.00 0.00 C ATOM 436 C PRO A 27 -5.647 -11.830 4.871 1.00 0.00 C ATOM 437 O PRO A 27 -4.624 -11.278 4.519 1.00 0.00 O ATOM 438 CB PRO A 27 -8.013 -11.559 4.061 1.00 0.00 C ATOM 439 CG PRO A 27 -8.441 -10.365 3.170 1.00 0.00 C ATOM 440 CD PRO A 27 -7.595 -9.151 3.579 1.00 0.00 C ATOM 0 HA PRO A 27 -7.260 -11.176 6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.612 -12.367 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.871 -11.962 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.289 -10.600 2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.502 -10.153 3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.987 -8.794 2.748 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.224 -8.318 3.894 1.00 0.00 H new ATOM 448 N GLU A 28 -5.679 -13.112 5.106 1.00 0.00 N ATOM 449 CA GLU A 28 -4.446 -13.928 4.947 1.00 0.00 C ATOM 450 C GLU A 28 -4.240 -14.236 3.464 1.00 0.00 C ATOM 451 O GLU A 28 -3.158 -14.587 3.037 1.00 0.00 O ATOM 452 CB GLU A 28 -4.594 -15.237 5.724 1.00 0.00 C ATOM 453 CG GLU A 28 -4.710 -14.933 7.219 1.00 0.00 C ATOM 454 CD GLU A 28 -6.174 -15.039 7.650 1.00 0.00 C ATOM 455 OE1 GLU A 28 -7.029 -15.030 6.780 1.00 0.00 O ATOM 456 OE2 GLU A 28 -6.415 -15.128 8.842 1.00 0.00 O ATOM 0 H GLU A 28 -6.507 -13.629 5.401 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.588 -13.377 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.477 -15.777 5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.735 -15.881 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.100 -15.632 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.330 -13.933 7.428 1.00 0.00 H new ATOM 463 N TYR A 29 -5.271 -14.106 2.675 1.00 0.00 N ATOM 464 CA TYR A 29 -5.133 -14.388 1.220 1.00 0.00 C ATOM 465 C TYR A 29 -4.811 -13.090 0.479 1.00 0.00 C ATOM 466 O TYR A 29 -4.860 -13.033 -0.734 1.00 0.00 O ATOM 467 CB TYR A 29 -6.437 -14.983 0.680 1.00 0.00 C ATOM 468 CG TYR A 29 -7.611 -14.160 1.153 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.051 -13.068 0.396 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.265 -14.493 2.346 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.142 -12.308 0.832 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.356 -13.734 2.782 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.795 -12.641 2.025 1.00 0.00 C ATOM 474 OH TYR A 29 -10.871 -11.892 2.455 1.00 0.00 O ATOM 0 H TYR A 29 -6.202 -13.817 2.975 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.325 -15.104 1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.413 -15.006 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.544 -16.014 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.548 -12.812 -0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.927 -15.336 2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.480 -11.465 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.860 -13.991 3.702 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.208 -12.258 3.299 1.00 0.00 H new ATOM 484 N TYR A 30 -4.478 -12.049 1.200 1.00 0.00 N ATOM 485 CA TYR A 30 -4.142 -10.751 0.539 1.00 0.00 C ATOM 486 C TYR A 30 -3.304 -11.027 -0.711 1.00 0.00 C ATOM 487 O TYR A 30 -2.111 -11.239 -0.637 1.00 0.00 O ATOM 488 CB TYR A 30 -3.343 -9.875 1.513 1.00 0.00 C ATOM 489 CG TYR A 30 -2.860 -8.626 0.808 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.593 -8.092 -0.257 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.675 -8.002 1.225 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.143 -6.935 -0.906 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.223 -6.844 0.576 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.958 -6.312 -0.491 1.00 0.00 C ATOM 495 OH TYR A 30 -1.516 -5.172 -1.132 1.00 0.00 O ATOM 0 H TYR A 30 -4.424 -12.042 2.219 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.058 -10.232 0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.966 -9.604 2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.493 -10.434 1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.506 -8.572 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.110 -8.414 2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.710 -6.522 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.311 -6.364 0.898 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.681 -4.868 -0.719 1.00 0.00 H new ATOM 505 N GLY A 31 -3.925 -11.039 -1.859 1.00 0.00 N ATOM 506 CA GLY A 31 -3.174 -11.316 -3.117 1.00 0.00 C ATOM 507 C GLY A 31 -1.852 -10.546 -3.116 1.00 0.00 C ATOM 508 O GLY A 31 -0.847 -11.031 -3.593 1.00 0.00 O ATOM 0 H GLY A 31 -4.923 -10.868 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.982 -12.385 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.773 -11.025 -3.980 1.00 0.00 H new ATOM 512 N GLU A 32 -1.854 -9.346 -2.593 1.00 0.00 N ATOM 513 CA GLU A 32 -0.605 -8.525 -2.560 1.00 0.00 C ATOM 514 C GLU A 32 -0.411 -7.818 -3.906 1.00 0.00 C ATOM 515 O GLU A 32 0.363 -6.891 -4.022 1.00 0.00 O ATOM 516 CB GLU A 32 0.607 -9.419 -2.274 1.00 0.00 C ATOM 517 CG GLU A 32 0.260 -10.414 -1.165 1.00 0.00 C ATOM 518 CD GLU A 32 1.529 -10.784 -0.396 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.420 -11.356 -1.002 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.589 -10.489 0.786 1.00 0.00 O ATOM 0 H GLU A 32 -2.673 -8.896 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.696 -7.781 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.899 -9.954 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.459 -8.809 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.474 -9.978 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.192 -11.309 -1.593 1.00 0.00 H new ATOM 527 N ASN A 33 -1.106 -8.246 -4.925 1.00 0.00 N ATOM 528 CA ASN A 33 -0.951 -7.588 -6.258 1.00 0.00 C ATOM 529 C ASN A 33 -1.790 -6.307 -6.308 1.00 0.00 C ATOM 530 O ASN A 33 -2.373 -5.891 -5.327 1.00 0.00 O ATOM 531 CB ASN A 33 -1.390 -8.537 -7.385 1.00 0.00 C ATOM 532 CG ASN A 33 -2.483 -9.490 -6.892 1.00 0.00 C ATOM 533 OD1 ASN A 33 -2.200 -10.460 -6.218 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.726 -9.257 -7.210 1.00 0.00 N ATOM 0 H ASN A 33 -1.771 -9.018 -4.895 1.00 0.00 H new ATOM 0 HA ASN A 33 0.101 -7.339 -6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.759 -7.958 -8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.533 -9.110 -7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.461 -9.889 -6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.964 -8.442 -7.776 1.00 0.00 H new ATOM 541 N LEU A 34 -1.844 -5.678 -7.450 1.00 0.00 N ATOM 542 CA LEU A 34 -2.632 -4.418 -7.591 1.00 0.00 C ATOM 543 C LEU A 34 -4.122 -4.736 -7.612 1.00 0.00 C ATOM 544 O LEU A 34 -4.927 -4.060 -7.017 1.00 0.00 O ATOM 545 CB LEU A 34 -2.273 -3.761 -8.916 1.00 0.00 C ATOM 546 CG LEU A 34 -0.788 -3.407 -8.933 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.367 -3.055 -10.360 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.544 -2.208 -8.015 1.00 0.00 C ATOM 0 H LEU A 34 -1.372 -5.985 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.405 -3.759 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.505 -4.435 -9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.872 -2.862 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.203 -4.258 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.693 -2.802 -10.375 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.545 -3.909 -11.013 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.948 -2.203 -10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.516 -1.952 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.126 -1.356 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.847 -2.460 -6.999 1.00 0.00 H new ATOM 560 N ASP A 35 -4.486 -5.751 -8.326 1.00 0.00 N ATOM 561 CA ASP A 35 -5.917 -6.138 -8.435 1.00 0.00 C ATOM 562 C ASP A 35 -6.477 -6.492 -7.058 1.00 0.00 C ATOM 563 O ASP A 35 -7.611 -6.190 -6.739 1.00 0.00 O ATOM 564 CB ASP A 35 -6.013 -7.368 -9.325 1.00 0.00 C ATOM 565 CG ASP A 35 -5.723 -6.979 -10.776 1.00 0.00 C ATOM 566 OD1 ASP A 35 -4.999 -6.018 -10.978 1.00 0.00 O ATOM 567 OD2 ASP A 35 -6.229 -7.650 -11.661 1.00 0.00 O ATOM 0 H ASP A 35 -3.843 -6.344 -8.851 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.486 -5.306 -8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.303 -8.125 -8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.007 -7.808 -9.248 1.00 0.00 H new ATOM 572 N ALA A 36 -5.695 -7.139 -6.244 1.00 0.00 N ATOM 573 CA ALA A 36 -6.193 -7.524 -4.892 1.00 0.00 C ATOM 574 C ALA A 36 -6.118 -6.316 -3.982 1.00 0.00 C ATOM 575 O ALA A 36 -7.092 -5.912 -3.381 1.00 0.00 O ATOM 576 CB ALA A 36 -5.329 -8.639 -4.311 1.00 0.00 C ATOM 0 H ALA A 36 -4.736 -7.418 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.221 -7.876 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.702 -8.912 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.368 -9.509 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.298 -8.294 -4.227 1.00 0.00 H new ATOM 582 N LEU A 37 -4.963 -5.728 -3.894 1.00 0.00 N ATOM 583 CA LEU A 37 -4.801 -4.524 -3.044 1.00 0.00 C ATOM 584 C LEU A 37 -5.998 -3.612 -3.297 1.00 0.00 C ATOM 585 O LEU A 37 -6.681 -3.163 -2.392 1.00 0.00 O ATOM 586 CB LEU A 37 -3.511 -3.811 -3.455 1.00 0.00 C ATOM 587 CG LEU A 37 -3.546 -2.359 -2.977 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.438 -2.318 -1.452 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.374 -1.591 -3.593 1.00 0.00 C ATOM 0 H LEU A 37 -4.118 -6.032 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.748 -4.788 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.649 -4.324 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.396 -3.844 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.485 -1.899 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.463 -1.282 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.273 -2.864 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.500 -2.779 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.398 -0.556 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.435 -2.052 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.453 -1.618 -4.680 1.00 0.00 H new ATOM 601 N TRP A 38 -6.250 -3.353 -4.542 1.00 0.00 N ATOM 602 CA TRP A 38 -7.387 -2.499 -4.913 1.00 0.00 C ATOM 603 C TRP A 38 -8.652 -3.121 -4.379 1.00 0.00 C ATOM 604 O TRP A 38 -9.409 -2.509 -3.655 1.00 0.00 O ATOM 605 CB TRP A 38 -7.511 -2.424 -6.429 1.00 0.00 C ATOM 606 CG TRP A 38 -8.676 -1.561 -6.738 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.940 -1.996 -6.853 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.711 -0.130 -6.929 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.762 -0.914 -7.119 1.00 0.00 N ATOM 610 CE2 TRP A 38 -10.042 0.265 -7.174 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.720 0.851 -6.917 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.373 1.600 -7.397 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -8.033 2.185 -7.134 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.362 2.571 -7.375 1.00 0.00 C ATOM 0 H TRP A 38 -5.703 -3.706 -5.328 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.232 -1.501 -4.502 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.602 -2.013 -6.868 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.648 -3.419 -6.852 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.263 -3.022 -6.754 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.771 -0.979 -7.257 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.694 0.568 -6.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.398 1.884 -7.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.251 2.930 -7.118 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.604 3.610 -7.542 1.00 0.00 H new ATOM 625 N ASP A 39 -8.879 -4.345 -4.739 1.00 0.00 N ATOM 626 CA ASP A 39 -10.093 -5.044 -4.260 1.00 0.00 C ATOM 627 C ASP A 39 -10.261 -4.747 -2.774 1.00 0.00 C ATOM 628 O ASP A 39 -11.353 -4.755 -2.242 1.00 0.00 O ATOM 629 CB ASP A 39 -9.934 -6.547 -4.471 1.00 0.00 C ATOM 630 CG ASP A 39 -10.559 -6.947 -5.809 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.523 -6.312 -6.203 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.063 -7.882 -6.416 1.00 0.00 O ATOM 0 H ASP A 39 -8.273 -4.895 -5.348 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.969 -4.702 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.878 -6.817 -4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.413 -7.091 -3.657 1.00 0.00 H new ATOM 637 N CYS A 40 -9.175 -4.472 -2.105 1.00 0.00 N ATOM 638 CA CYS A 40 -9.249 -4.159 -0.658 1.00 0.00 C ATOM 639 C CYS A 40 -9.682 -2.701 -0.469 1.00 0.00 C ATOM 640 O CYS A 40 -10.568 -2.407 0.309 1.00 0.00 O ATOM 641 CB CYS A 40 -7.871 -4.366 -0.035 1.00 0.00 C ATOM 642 SG CYS A 40 -7.161 -5.917 -0.640 1.00 0.00 S ATOM 0 H CYS A 40 -8.237 -4.452 -2.504 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.975 -4.814 -0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.217 -3.531 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.952 -4.390 1.052 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.116 -5.896 -1.939 1.00 0.00 H new ATOM 648 N LEU A 41 -9.060 -1.781 -1.161 1.00 0.00 N ATOM 649 CA LEU A 41 -9.432 -0.354 -1.001 1.00 0.00 C ATOM 650 C LEU A 41 -10.860 -0.107 -1.499 1.00 0.00 C ATOM 651 O LEU A 41 -11.453 0.914 -1.214 1.00 0.00 O ATOM 652 CB LEU A 41 -8.470 0.509 -1.811 1.00 0.00 C ATOM 653 CG LEU A 41 -7.029 0.049 -1.584 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.096 0.939 -2.392 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.680 0.155 -0.098 1.00 0.00 C ATOM 0 H LEU A 41 -8.311 -1.962 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.377 -0.096 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.717 0.445 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.576 1.554 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.919 -0.988 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.065 0.620 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.345 0.862 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.208 1.973 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.653 -0.174 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.783 1.190 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.355 -0.476 0.480 1.00 0.00 H new ATOM 667 N THR A 42 -11.412 -1.016 -2.253 1.00 0.00 N ATOM 668 CA THR A 42 -12.782 -0.808 -2.774 1.00 0.00 C ATOM 669 C THR A 42 -13.747 -1.828 -2.166 1.00 0.00 C ATOM 670 O THR A 42 -14.713 -2.223 -2.788 1.00 0.00 O ATOM 671 CB THR A 42 -12.770 -0.951 -4.296 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.333 -2.257 -4.645 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.818 0.087 -4.893 1.00 0.00 C ATOM 0 H THR A 42 -10.970 -1.893 -2.529 1.00 0.00 H new ATOM 0 HA THR A 42 -13.118 0.192 -2.500 1.00 0.00 H new ATOM 0 HB THR A 42 -13.774 -0.791 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.637 -2.196 -5.332 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.807 -0.012 -5.978 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.155 1.088 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.813 -0.075 -4.503 1.00 0.00 H new ATOM 681 N GLY A 43 -13.506 -2.255 -0.955 1.00 0.00 N ATOM 682 CA GLY A 43 -14.432 -3.242 -0.329 1.00 0.00 C ATOM 683 C GLY A 43 -13.732 -3.980 0.815 1.00 0.00 C ATOM 684 O GLY A 43 -13.912 -5.168 0.995 1.00 0.00 O ATOM 0 H GLY A 43 -12.716 -1.966 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.318 -2.731 0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.771 -3.958 -1.078 1.00 0.00 H new ATOM 688 N TRP A 44 -12.940 -3.295 1.595 1.00 0.00 N ATOM 689 CA TRP A 44 -12.248 -3.978 2.723 1.00 0.00 C ATOM 690 C TRP A 44 -11.617 -2.938 3.650 1.00 0.00 C ATOM 691 O TRP A 44 -12.077 -2.712 4.752 1.00 0.00 O ATOM 692 CB TRP A 44 -11.154 -4.894 2.170 1.00 0.00 C ATOM 693 CG TRP A 44 -10.471 -5.589 3.303 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.364 -5.139 3.937 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.830 -6.845 3.948 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.020 -6.039 4.929 1.00 0.00 N ATOM 697 CE2 TRP A 44 -9.894 -7.107 4.976 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.867 -7.773 3.744 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -9.982 -8.249 5.772 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -11.959 -8.924 4.543 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.018 -9.161 5.556 1.00 0.00 C ATOM 0 H TRP A 44 -12.744 -2.299 1.500 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.973 -4.568 3.284 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.587 -5.626 1.488 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.432 -4.312 1.597 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.835 -4.226 3.706 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.219 -5.928 5.550 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.597 -7.599 2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.254 -8.427 6.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.759 -9.631 4.377 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.094 -10.047 6.168 1.00 0.00 H new ATOM 712 N VAL A 45 -10.563 -2.309 3.214 1.00 0.00 N ATOM 713 CA VAL A 45 -9.892 -1.290 4.064 1.00 0.00 C ATOM 714 C VAL A 45 -10.928 -0.308 4.613 1.00 0.00 C ATOM 715 O VAL A 45 -11.974 -0.104 4.030 1.00 0.00 O ATOM 716 CB VAL A 45 -8.864 -0.526 3.228 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.003 0.341 4.148 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.972 -1.521 2.482 1.00 0.00 C ATOM 0 H VAL A 45 -10.136 -2.458 2.300 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.393 -1.789 4.894 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.380 0.109 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.270 0.886 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.638 1.050 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.486 -0.294 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.239 -0.977 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.455 -2.156 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.585 -2.139 1.827 1.00 0.00 H new ATOM 728 N GLU A 46 -10.642 0.309 5.728 1.00 0.00 N ATOM 729 CA GLU A 46 -11.608 1.284 6.306 1.00 0.00 C ATOM 730 C GLU A 46 -11.076 2.702 6.105 1.00 0.00 C ATOM 731 O GLU A 46 -9.945 3.003 6.429 1.00 0.00 O ATOM 732 CB GLU A 46 -11.791 1.019 7.798 1.00 0.00 C ATOM 733 CG GLU A 46 -10.450 1.180 8.517 1.00 0.00 C ATOM 734 CD GLU A 46 -10.342 0.143 9.636 1.00 0.00 C ATOM 735 OE1 GLU A 46 -10.212 -1.029 9.322 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.391 0.538 10.790 1.00 0.00 O ATOM 0 H GLU A 46 -9.783 0.180 6.262 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.569 1.175 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.523 1.712 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.180 0.013 7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.629 1.055 7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.365 2.185 8.929 1.00 0.00 H new ATOM 743 N TYR A 47 -11.888 3.570 5.573 1.00 0.00 N ATOM 744 CA TYR A 47 -11.445 4.974 5.336 1.00 0.00 C ATOM 745 C TYR A 47 -12.270 5.911 6.231 1.00 0.00 C ATOM 746 O TYR A 47 -13.252 5.483 6.805 1.00 0.00 O ATOM 747 CB TYR A 47 -11.658 5.305 3.851 1.00 0.00 C ATOM 748 CG TYR A 47 -10.687 4.503 3.001 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.595 3.850 3.593 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.878 4.408 1.616 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.707 3.110 2.809 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.984 3.667 0.836 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.900 3.019 1.432 1.00 0.00 C ATOM 754 OH TYR A 47 -8.022 2.287 0.660 1.00 0.00 O ATOM 0 H TYR A 47 -12.847 3.367 5.290 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.390 5.100 5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.684 5.076 3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.509 6.371 3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.441 3.920 4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.715 4.907 1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.870 2.608 3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.133 3.596 -0.231 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.112 2.630 0.785 1.00 0.00 H new ATOM 764 N PRO A 48 -11.857 7.158 6.353 1.00 0.00 N ATOM 765 CA PRO A 48 -10.664 7.721 5.670 1.00 0.00 C ATOM 766 C PRO A 48 -9.376 6.998 6.078 1.00 0.00 C ATOM 767 O PRO A 48 -9.153 6.700 7.234 1.00 0.00 O ATOM 768 CB PRO A 48 -10.606 9.186 6.128 1.00 0.00 C ATOM 769 CG PRO A 48 -11.793 9.429 7.091 1.00 0.00 C ATOM 770 CD PRO A 48 -12.578 8.116 7.210 1.00 0.00 C ATOM 0 HA PRO A 48 -10.743 7.612 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.660 9.392 6.628 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.666 9.857 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.432 9.748 8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.435 10.225 6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.614 7.771 8.243 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.609 8.242 6.880 1.00 0.00 H new ATOM 778 N LEU A 49 -8.527 6.719 5.124 1.00 0.00 N ATOM 779 CA LEU A 49 -7.247 6.020 5.430 1.00 0.00 C ATOM 780 C LEU A 49 -6.082 6.958 5.130 1.00 0.00 C ATOM 781 O LEU A 49 -6.176 7.838 4.303 1.00 0.00 O ATOM 782 CB LEU A 49 -7.128 4.772 4.534 1.00 0.00 C ATOM 783 CG LEU A 49 -5.655 4.398 4.290 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.043 3.818 5.569 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.571 3.363 3.165 1.00 0.00 C ATOM 0 H LEU A 49 -8.668 6.947 4.140 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.228 5.727 6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.645 3.935 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.621 4.958 3.580 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.101 5.292 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.001 3.556 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.097 4.559 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.595 2.926 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.528 3.098 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.130 2.471 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.995 3.782 2.253 1.00 0.00 H new ATOM 797 N VAL A 50 -4.967 6.734 5.758 1.00 0.00 N ATOM 798 CA VAL A 50 -3.777 7.567 5.465 1.00 0.00 C ATOM 799 C VAL A 50 -2.694 6.633 4.921 1.00 0.00 C ATOM 800 O VAL A 50 -2.474 5.562 5.444 1.00 0.00 O ATOM 801 CB VAL A 50 -3.294 8.284 6.748 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.845 7.900 7.086 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.358 9.796 6.534 1.00 0.00 C ATOM 0 H VAL A 50 -4.829 6.009 6.462 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.013 8.340 4.733 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.941 7.981 7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.533 8.419 7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.781 6.823 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.191 8.185 6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.019 10.306 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.716 10.073 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.385 10.089 6.316 1.00 0.00 H new ATOM 813 N LEU A 51 -1.998 7.030 3.906 1.00 0.00 N ATOM 814 CA LEU A 51 -0.919 6.153 3.390 1.00 0.00 C ATOM 815 C LEU A 51 0.392 6.904 3.538 1.00 0.00 C ATOM 816 O LEU A 51 0.894 7.497 2.605 1.00 0.00 O ATOM 817 CB LEU A 51 -1.144 5.782 1.919 1.00 0.00 C ATOM 818 CG LEU A 51 -0.001 4.869 1.460 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.073 3.544 2.216 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.123 4.583 -0.034 1.00 0.00 C ATOM 0 H LEU A 51 -2.124 7.914 3.413 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.907 5.222 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.102 5.276 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.179 6.681 1.304 1.00 0.00 H new ATOM 0 HG LEU A 51 0.947 5.368 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.739 2.894 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.018 3.730 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.028 3.060 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.694 3.934 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.075 4.091 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.076 5.520 -0.589 1.00 0.00 H new ATOM 832 N GLU A 52 0.947 6.887 4.714 1.00 0.00 N ATOM 833 CA GLU A 52 2.222 7.602 4.937 1.00 0.00 C ATOM 834 C GLU A 52 3.337 6.756 4.338 1.00 0.00 C ATOM 835 O GLU A 52 3.985 5.972 5.006 1.00 0.00 O ATOM 836 CB GLU A 52 2.437 7.793 6.440 1.00 0.00 C ATOM 837 CG GLU A 52 3.845 8.331 6.696 1.00 0.00 C ATOM 838 CD GLU A 52 3.801 9.356 7.831 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.734 9.897 8.072 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.833 9.581 8.441 1.00 0.00 O ATOM 0 H GLU A 52 0.569 6.406 5.530 1.00 0.00 H new ATOM 0 HA GLU A 52 2.211 8.585 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.695 8.485 6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.300 6.845 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.517 7.513 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.240 8.792 5.791 1.00 0.00 H new ATOM 847 N TRP A 53 3.534 6.896 3.058 1.00 0.00 N ATOM 848 CA TRP A 53 4.573 6.102 2.366 1.00 0.00 C ATOM 849 C TRP A 53 5.952 6.696 2.651 1.00 0.00 C ATOM 850 O TRP A 53 6.260 7.800 2.249 1.00 0.00 O ATOM 851 CB TRP A 53 4.300 6.126 0.865 1.00 0.00 C ATOM 852 CG TRP A 53 4.926 4.925 0.248 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.229 4.594 0.370 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.310 3.889 -0.574 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.458 3.424 -0.322 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.309 2.951 -0.920 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.998 3.670 -1.050 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.029 1.842 -1.704 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.712 2.545 -1.849 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.728 1.634 -2.173 1.00 0.00 C ATOM 0 H TRP A 53 3.011 7.535 2.459 1.00 0.00 H new ATOM 0 HA TRP A 53 4.550 5.073 2.726 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.227 6.132 0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.707 7.035 0.421 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.971 5.154 0.920 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.366 2.964 -0.384 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.212 4.367 -0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.813 1.141 -1.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.708 2.384 -2.213 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.506 0.772 -2.785 1.00 0.00 H new ATOM 871 N ARG A 54 6.782 5.972 3.347 1.00 0.00 N ATOM 872 CA ARG A 54 8.141 6.492 3.664 1.00 0.00 C ATOM 873 C ARG A 54 9.175 5.818 2.760 1.00 0.00 C ATOM 874 O ARG A 54 9.220 4.609 2.644 1.00 0.00 O ATOM 875 CB ARG A 54 8.472 6.187 5.126 1.00 0.00 C ATOM 876 CG ARG A 54 9.783 6.878 5.507 1.00 0.00 C ATOM 877 CD ARG A 54 9.502 8.342 5.861 1.00 0.00 C ATOM 878 NE ARG A 54 10.300 8.742 7.059 1.00 0.00 N ATOM 879 CZ ARG A 54 10.473 7.906 8.046 1.00 0.00 C ATOM 880 NH1 ARG A 54 9.441 7.348 8.618 1.00 0.00 N ATOM 881 NH2 ARG A 54 11.679 7.627 8.461 1.00 0.00 N ATOM 0 H ARG A 54 6.578 5.041 3.711 1.00 0.00 H new ATOM 0 HA ARG A 54 8.163 7.569 3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.665 6.532 5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.560 5.111 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.242 6.369 6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.490 6.822 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.753 8.983 5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.439 8.479 6.060 1.00 0.00 H new ATOM 0 HE ARG A 54 10.712 9.674 7.106 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.499 7.565 8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.577 6.695 9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.486 8.062 8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.814 6.974 9.232 1.00 0.00 H new ATOM 895 N GLN A 55 10.013 6.592 2.126 1.00 0.00 N ATOM 896 CA GLN A 55 11.054 6.002 1.238 1.00 0.00 C ATOM 897 C GLN A 55 10.429 5.554 -0.085 1.00 0.00 C ATOM 898 O GLN A 55 10.648 4.449 -0.540 1.00 0.00 O ATOM 899 CB GLN A 55 11.692 4.797 1.932 1.00 0.00 C ATOM 900 CG GLN A 55 13.208 4.991 2.001 1.00 0.00 C ATOM 901 CD GLN A 55 13.536 6.089 3.015 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.296 6.991 2.726 1.00 0.00 O ATOM 903 NE2 GLN A 55 12.990 6.050 4.199 1.00 0.00 N ATOM 0 H GLN A 55 10.021 7.610 2.185 1.00 0.00 H new ATOM 0 HA GLN A 55 11.814 6.756 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.283 4.684 2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.456 3.883 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.692 4.058 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.596 5.261 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.352 5.292 4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.201 6.777 4.882 1.00 0.00 H new ATOM 912 N PHE A 56 9.663 6.402 -0.717 1.00 0.00 N ATOM 913 CA PHE A 56 9.046 6.012 -2.017 1.00 0.00 C ATOM 914 C PHE A 56 10.152 5.875 -3.064 1.00 0.00 C ATOM 915 O PHE A 56 11.158 6.552 -2.999 1.00 0.00 O ATOM 916 CB PHE A 56 8.048 7.082 -2.458 1.00 0.00 C ATOM 917 CG PHE A 56 7.021 6.465 -3.379 1.00 0.00 C ATOM 918 CD1 PHE A 56 5.933 5.765 -2.844 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.157 6.592 -4.766 1.00 0.00 C ATOM 920 CE1 PHE A 56 4.981 5.193 -3.697 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.206 6.020 -5.619 1.00 0.00 C ATOM 922 CZ PHE A 56 5.117 5.320 -5.084 1.00 0.00 C ATOM 0 H PHE A 56 9.439 7.342 -0.392 1.00 0.00 H new ATOM 0 HA PHE A 56 8.520 5.064 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.557 7.517 -1.588 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.569 7.892 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.828 5.666 -1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.996 7.132 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.141 4.654 -3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.312 6.118 -6.689 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.383 4.879 -5.742 1.00 0.00 H new ATOM 932 N GLU A 57 9.981 4.990 -4.013 1.00 0.00 N ATOM 933 CA GLU A 57 11.027 4.780 -5.062 1.00 0.00 C ATOM 934 C GLU A 57 12.093 3.829 -4.518 1.00 0.00 C ATOM 935 O GLU A 57 12.538 2.928 -5.199 1.00 0.00 O ATOM 936 CB GLU A 57 11.677 6.105 -5.446 1.00 0.00 C ATOM 937 CG GLU A 57 10.601 7.184 -5.589 1.00 0.00 C ATOM 938 CD GLU A 57 11.069 8.243 -6.589 1.00 0.00 C ATOM 939 OE1 GLU A 57 10.937 8.006 -7.778 1.00 0.00 O ATOM 940 OE2 GLU A 57 11.550 9.274 -6.148 1.00 0.00 O ATOM 0 H GLU A 57 9.155 4.399 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 57 10.559 4.353 -5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.402 6.399 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.223 5.995 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.666 6.737 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.402 7.645 -4.621 1.00 0.00 H new ATOM 947 N GLN A 58 12.495 4.011 -3.288 1.00 0.00 N ATOM 948 CA GLN A 58 13.501 3.106 -2.693 1.00 0.00 C ATOM 949 C GLN A 58 12.821 1.760 -2.484 1.00 0.00 C ATOM 950 O GLN A 58 13.442 0.717 -2.519 1.00 0.00 O ATOM 951 CB GLN A 58 13.980 3.667 -1.352 1.00 0.00 C ATOM 952 CG GLN A 58 14.754 4.966 -1.588 1.00 0.00 C ATOM 953 CD GLN A 58 15.763 4.765 -2.720 1.00 0.00 C ATOM 954 OE1 GLN A 58 15.484 5.079 -3.861 1.00 0.00 O ATOM 955 NE2 GLN A 58 16.932 4.251 -2.453 1.00 0.00 N ATOM 0 H GLN A 58 12.163 4.754 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 58 14.369 3.005 -3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.128 3.853 -0.698 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.616 2.939 -0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.064 5.771 -1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.271 5.264 -0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.167 3.987 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.611 4.113 -3.201 1.00 0.00 H new ATOM 964 N SER A 59 11.526 1.790 -2.301 1.00 0.00 N ATOM 965 CA SER A 59 10.759 0.530 -2.128 1.00 0.00 C ATOM 966 C SER A 59 10.312 0.060 -3.514 1.00 0.00 C ATOM 967 O SER A 59 9.472 -0.807 -3.653 1.00 0.00 O ATOM 968 CB SER A 59 9.536 0.785 -1.247 1.00 0.00 C ATOM 969 OG SER A 59 9.947 1.434 -0.051 1.00 0.00 O ATOM 0 H SER A 59 10.967 2.642 -2.264 1.00 0.00 H new ATOM 0 HA SER A 59 11.377 -0.230 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.812 1.402 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.040 -0.157 -1.012 1.00 0.00 H new ATOM 0 HG SER A 59 10.143 2.375 -0.240 1.00 0.00 H new ATOM 975 N LYS A 60 10.890 0.628 -4.543 1.00 0.00 N ATOM 976 CA LYS A 60 10.537 0.228 -5.930 1.00 0.00 C ATOM 977 C LYS A 60 11.714 -0.552 -6.533 1.00 0.00 C ATOM 978 O LYS A 60 11.532 -1.533 -7.226 1.00 0.00 O ATOM 979 CB LYS A 60 10.255 1.494 -6.754 1.00 0.00 C ATOM 980 CG LYS A 60 10.438 1.217 -8.250 1.00 0.00 C ATOM 981 CD LYS A 60 10.319 2.530 -9.026 1.00 0.00 C ATOM 982 CE LYS A 60 11.038 2.398 -10.369 1.00 0.00 C ATOM 983 NZ LYS A 60 10.496 1.224 -11.109 1.00 0.00 N ATOM 0 H LYS A 60 11.598 1.359 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 60 9.649 -0.405 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.238 1.839 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.926 2.294 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.412 0.762 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.685 0.508 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.269 2.776 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.753 3.346 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.903 3.306 -10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.110 2.278 -10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.731 1.311 -12.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.915 0.351 -10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.463 1.189 -10.996 1.00 0.00 H new ATOM 1083 N ALA A 67 6.852 -0.524 -6.203 1.00 0.00 N ATOM 1084 CA ALA A 67 5.640 -0.218 -5.411 1.00 0.00 C ATOM 1085 C ALA A 67 4.838 0.892 -6.084 1.00 0.00 C ATOM 1086 O ALA A 67 3.679 1.106 -5.788 1.00 0.00 O ATOM 1087 CB ALA A 67 6.088 0.257 -4.045 1.00 0.00 C ATOM 0 HA ALA A 67 5.013 -1.106 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.214 0.491 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.669 -0.527 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.704 1.150 -4.154 1.00 0.00 H new ATOM 1093 N GLU A 68 5.448 1.598 -6.987 1.00 0.00 N ATOM 1094 CA GLU A 68 4.742 2.692 -7.686 1.00 0.00 C ATOM 1095 C GLU A 68 3.365 2.201 -8.157 1.00 0.00 C ATOM 1096 O GLU A 68 2.455 2.980 -8.360 1.00 0.00 O ATOM 1097 CB GLU A 68 5.634 3.161 -8.852 1.00 0.00 C ATOM 1098 CG GLU A 68 4.964 2.892 -10.195 1.00 0.00 C ATOM 1099 CD GLU A 68 5.726 3.618 -11.306 1.00 0.00 C ATOM 1100 OE1 GLU A 68 5.758 4.837 -11.276 1.00 0.00 O ATOM 1101 OE2 GLU A 68 6.265 2.942 -12.167 1.00 0.00 O ATOM 0 H GLU A 68 6.418 1.460 -7.272 1.00 0.00 H new ATOM 0 HA GLU A 68 4.563 3.539 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.840 4.227 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.594 2.646 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.944 1.821 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.928 3.231 -10.170 1.00 0.00 H new ATOM 1108 N SER A 69 3.204 0.917 -8.322 1.00 0.00 N ATOM 1109 CA SER A 69 1.887 0.384 -8.767 1.00 0.00 C ATOM 1110 C SER A 69 0.922 0.365 -7.577 1.00 0.00 C ATOM 1111 O SER A 69 -0.209 0.808 -7.670 1.00 0.00 O ATOM 1112 CB SER A 69 2.071 -1.037 -9.296 1.00 0.00 C ATOM 1113 OG SER A 69 2.913 -1.007 -10.441 1.00 0.00 O ATOM 0 H SER A 69 3.927 0.215 -8.168 1.00 0.00 H new ATOM 0 HA SER A 69 1.481 1.017 -9.556 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.509 -1.670 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.104 -1.470 -9.553 1.00 0.00 H new ATOM 0 HG SER A 69 3.034 -1.918 -10.782 1.00 0.00 H new ATOM 1119 N VAL A 70 1.364 -0.133 -6.453 1.00 0.00 N ATOM 1120 CA VAL A 70 0.483 -0.168 -5.259 1.00 0.00 C ATOM 1121 C VAL A 70 0.016 1.254 -4.975 1.00 0.00 C ATOM 1122 O VAL A 70 -1.153 1.507 -4.754 1.00 0.00 O ATOM 1123 CB VAL A 70 1.273 -0.711 -4.067 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.516 -0.429 -2.769 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.457 -2.222 -4.227 1.00 0.00 C ATOM 0 H VAL A 70 2.299 -0.517 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.378 -0.813 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 70 2.246 -0.222 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.084 -0.818 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.383 0.646 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.460 -0.914 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.020 -2.612 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.481 -2.705 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.002 -2.427 -5.149 1.00 0.00 H new ATOM 1135 N LEU A 71 0.920 2.190 -5.005 1.00 0.00 N ATOM 1136 CA LEU A 71 0.524 3.600 -4.765 1.00 0.00 C ATOM 1137 C LEU A 71 -0.494 3.991 -5.826 1.00 0.00 C ATOM 1138 O LEU A 71 -1.499 4.585 -5.537 1.00 0.00 O ATOM 1139 CB LEU A 71 1.738 4.510 -4.883 1.00 0.00 C ATOM 1140 CG LEU A 71 1.287 5.967 -4.770 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.011 6.305 -3.304 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.384 6.889 -5.305 1.00 0.00 C ATOM 0 H LEU A 71 1.913 2.039 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 71 0.102 3.702 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.459 4.278 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.240 4.345 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 71 0.378 6.108 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.690 7.344 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.226 5.652 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.920 6.161 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.059 7.926 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.295 6.747 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.581 6.652 -6.351 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.240 3.644 -7.055 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.202 3.977 -8.142 1.00 0.00 C ATOM 1156 C GLN A 72 -2.591 3.506 -7.729 1.00 0.00 C ATOM 1157 O GLN A 72 -3.587 4.149 -7.989 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.730 3.285 -9.444 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.751 2.258 -9.968 1.00 0.00 C ATOM 1160 CD GLN A 72 -2.833 2.969 -10.779 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -2.706 4.136 -11.092 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -3.901 2.309 -11.135 1.00 0.00 N ATOM 0 H GLN A 72 0.596 3.142 -7.356 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.245 5.052 -8.317 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.553 4.040 -10.210 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.222 2.786 -9.262 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.248 1.516 -10.588 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.203 1.723 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.006 1.329 -10.872 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.630 2.773 -11.677 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.652 2.381 -7.093 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.952 1.839 -6.655 1.00 0.00 C ATOM 1173 C VAL A 73 -4.462 2.638 -5.453 1.00 0.00 C ATOM 1174 O VAL A 73 -5.649 2.796 -5.266 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.748 0.383 -6.263 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.995 -0.159 -5.569 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.434 -0.433 -7.524 1.00 0.00 C ATOM 0 H VAL A 73 -1.844 1.806 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.686 1.912 -7.457 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.914 0.305 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.834 -1.202 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.195 0.426 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.847 -0.089 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.286 -1.478 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.265 -0.354 -8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.528 -0.047 -7.991 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.580 3.130 -4.628 1.00 0.00 N ATOM 1188 CA PHE A 74 -4.035 3.911 -3.437 1.00 0.00 C ATOM 1189 C PHE A 74 -4.561 5.288 -3.873 1.00 0.00 C ATOM 1190 O PHE A 74 -5.538 5.788 -3.347 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.866 4.093 -2.464 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.902 2.998 -1.428 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.810 3.070 -0.366 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -2.030 1.908 -1.531 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.845 2.053 0.595 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -2.064 0.891 -0.571 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.972 0.964 0.492 1.00 0.00 C ATOM 0 H PHE A 74 -2.570 3.028 -4.723 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.839 3.365 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.920 4.066 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.929 5.068 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.484 3.910 -0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.331 1.852 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.545 2.109 1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.390 0.050 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.999 0.179 1.233 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.924 5.901 -4.832 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.371 7.231 -5.308 1.00 0.00 C ATOM 1209 C ARG A 75 -5.562 7.042 -6.228 1.00 0.00 C ATOM 1210 O ARG A 75 -6.457 7.854 -6.278 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.244 7.897 -6.083 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.274 8.569 -5.108 1.00 0.00 C ATOM 1213 CD ARG A 75 -0.834 8.290 -5.547 1.00 0.00 C ATOM 1214 NE ARG A 75 -0.139 9.576 -5.847 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.783 10.553 -6.426 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.555 10.310 -7.450 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -0.653 11.773 -5.982 1.00 0.00 N ATOM 0 H ARG A 75 -3.103 5.529 -5.309 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.646 7.856 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.716 7.157 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.651 8.636 -6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.455 9.643 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.437 8.192 -4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.302 7.753 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.831 7.650 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 75 0.843 9.692 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.655 9.357 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.058 11.074 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.048 11.963 -5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.156 12.537 -6.434 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.575 5.957 -6.943 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.712 5.668 -7.851 1.00 0.00 C ATOM 1233 C GLU A 76 -7.938 5.465 -6.972 1.00 0.00 C ATOM 1234 O GLU A 76 -8.990 6.027 -7.199 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.408 4.384 -8.613 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.670 4.699 -9.915 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.435 5.766 -10.701 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.483 5.443 -11.235 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.959 6.888 -10.754 1.00 0.00 O ATOM 0 H GLU A 76 -4.839 5.251 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.878 6.476 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.802 3.722 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.336 3.855 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.661 5.049 -9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.570 3.794 -10.515 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.787 4.688 -5.936 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.906 4.473 -5.002 1.00 0.00 C ATOM 1248 C ALA A 77 -9.227 5.830 -4.394 1.00 0.00 C ATOM 1249 O ALA A 77 -10.370 6.185 -4.186 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.487 3.491 -3.905 1.00 0.00 C ATOM 0 H ALA A 77 -6.927 4.193 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.774 4.054 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.319 3.336 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.207 2.539 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.636 3.897 -3.359 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.206 6.613 -4.150 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.426 7.974 -3.602 1.00 0.00 C ATOM 1258 C LYS A 78 -9.261 8.748 -4.610 1.00 0.00 C ATOM 1259 O LYS A 78 -10.053 9.606 -4.275 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.079 8.670 -3.465 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.011 9.419 -2.134 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.940 10.924 -2.400 1.00 0.00 C ATOM 1263 CE LYS A 78 -5.758 11.523 -1.636 1.00 0.00 C ATOM 1264 NZ LYS A 78 -6.264 12.296 -0.467 1.00 0.00 N ATOM 0 H LYS A 78 -7.230 6.362 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.923 7.924 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.274 7.937 -3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.934 9.366 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.887 9.187 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.137 9.097 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.828 11.110 -3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.868 11.403 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.089 10.731 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.178 12.173 -2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.484 12.840 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.012 12.947 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.650 11.640 0.242 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.065 8.433 -5.855 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.798 9.104 -6.944 1.00 0.00 C ATOM 1280 C ALA A 79 -11.212 8.544 -7.002 1.00 0.00 C ATOM 1281 O ALA A 79 -12.140 9.184 -7.457 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.073 8.802 -8.250 1.00 0.00 C ATOM 0 H ALA A 79 -8.408 7.718 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.844 10.180 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.594 9.287 -9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.051 9.178 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.054 7.725 -8.415 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.365 7.337 -6.552 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.689 6.674 -6.570 1.00 0.00 C ATOM 1290 C GLU A 80 -13.559 7.141 -5.393 1.00 0.00 C ATOM 1291 O GLU A 80 -14.412 6.415 -4.922 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.470 5.164 -6.481 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.312 4.603 -7.893 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.669 4.604 -8.599 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.635 4.184 -7.984 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.719 5.025 -9.743 1.00 0.00 O ATOM 0 H GLU A 80 -10.611 6.770 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.208 6.934 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.582 4.946 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.313 4.690 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.597 5.203 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.913 3.589 -7.850 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.364 8.343 -4.915 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.195 8.835 -3.779 1.00 0.00 C ATOM 1305 C GLY A 81 -13.563 8.419 -2.449 1.00 0.00 C ATOM 1306 O GLY A 81 -13.764 9.051 -1.432 1.00 0.00 O ATOM 0 H GLY A 81 -12.667 9.002 -5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.283 9.920 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.204 8.430 -3.854 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.802 7.359 -2.446 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.164 6.906 -1.183 1.00 0.00 C ATOM 1312 C CYS A 82 -11.365 8.059 -0.572 1.00 0.00 C ATOM 1313 O CYS A 82 -10.841 8.903 -1.271 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.228 5.737 -1.484 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.079 4.536 -2.539 1.00 0.00 S ATOM 0 H CYS A 82 -12.596 6.788 -3.266 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.932 6.587 -0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.327 6.098 -1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.913 5.262 -0.555 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.700 4.696 -3.772 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.269 8.104 0.729 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.508 9.205 1.382 1.00 0.00 C ATOM 1323 C ASP A 83 -9.155 8.679 1.868 1.00 0.00 C ATOM 1324 O ASP A 83 -8.864 8.683 3.048 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.306 9.735 2.573 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.744 11.092 3.002 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.843 11.105 3.824 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.225 12.095 2.500 1.00 0.00 O ATOM 0 H ASP A 83 -11.685 7.426 1.367 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.345 10.008 0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.358 9.834 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.254 9.029 3.402 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.322 8.232 0.968 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.987 7.715 1.380 1.00 0.00 C ATOM 1335 C ILE A 84 -5.963 8.853 1.310 1.00 0.00 C ATOM 1336 O ILE A 84 -5.270 9.015 0.326 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.551 6.601 0.433 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.383 5.356 0.692 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.075 6.282 0.670 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.046 4.935 -0.613 1.00 0.00 C ATOM 0 H ILE A 84 -8.509 8.203 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.049 7.327 2.397 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.695 6.925 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.753 4.552 1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.138 5.557 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.762 5.486 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.476 7.173 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.934 5.959 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.647 4.042 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.686 5.741 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.280 4.721 -1.358 1.00 0.00 H new ATOM 1352 N THR A 85 -5.857 9.639 2.343 1.00 0.00 N ATOM 1353 CA THR A 85 -4.874 10.758 2.326 1.00 0.00 C ATOM 1354 C THR A 85 -3.497 10.213 1.940 1.00 0.00 C ATOM 1355 O THR A 85 -2.754 9.730 2.771 1.00 0.00 O ATOM 1356 CB THR A 85 -4.802 11.394 3.717 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.986 12.142 3.955 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.587 12.321 3.795 1.00 0.00 C ATOM 0 H THR A 85 -6.407 9.556 3.198 1.00 0.00 H new ATOM 0 HA THR A 85 -5.186 11.510 1.601 1.00 0.00 H new ATOM 0 HB THR A 85 -4.708 10.612 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.943 12.549 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.537 12.773 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.679 11.747 3.612 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.678 13.105 3.043 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.152 10.282 0.682 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.826 9.763 0.247 1.00 0.00 C ATOM 1368 C ILE A 86 -0.721 10.686 0.779 1.00 0.00 C ATOM 1369 O ILE A 86 -0.653 11.851 0.439 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.793 9.680 -1.295 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -1.081 8.392 -1.713 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -1.060 10.882 -1.904 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.118 7.290 -1.944 1.00 0.00 C ATOM 0 H ILE A 86 -3.731 10.675 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.659 8.763 0.648 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.820 9.685 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.505 8.561 -2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.375 8.086 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.055 10.793 -2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.570 11.802 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.034 10.907 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.613 6.371 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.675 7.116 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.806 7.597 -2.731 1.00 0.00 H new ATOM 1385 N ILE A 87 0.139 10.174 1.615 1.00 0.00 N ATOM 1386 CA ILE A 87 1.232 11.020 2.171 1.00 0.00 C ATOM 1387 C ILE A 87 2.587 10.425 1.786 1.00 0.00 C ATOM 1388 O ILE A 87 3.121 9.576 2.472 1.00 0.00 O ATOM 1389 CB ILE A 87 1.113 11.069 3.695 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.198 11.760 4.081 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.291 11.853 4.276 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.710 11.182 5.401 1.00 0.00 C ATOM 0 H ILE A 87 0.132 9.206 1.937 1.00 0.00 H new ATOM 0 HA ILE A 87 1.151 12.029 1.766 1.00 0.00 H new ATOM 0 HB ILE A 87 1.122 10.054 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.040 12.834 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.941 11.617 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.205 11.887 5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.225 11.363 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.283 12.868 3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.643 11.674 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.884 10.112 5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.031 11.348 6.183 1.00 0.00 H new ATOM 1404 N LEU A 88 3.150 10.863 0.693 1.00 0.00 N ATOM 1405 CA LEU A 88 4.471 10.322 0.268 1.00 0.00 C ATOM 1406 C LEU A 88 5.586 11.067 1.005 1.00 0.00 C ATOM 1407 O LEU A 88 5.480 12.245 1.283 1.00 0.00 O ATOM 1408 CB LEU A 88 4.639 10.512 -1.241 1.00 0.00 C ATOM 1409 CG LEU A 88 4.200 9.239 -1.967 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.918 9.515 -2.753 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.302 8.797 -2.932 1.00 0.00 C ATOM 0 H LEU A 88 2.752 11.572 0.077 1.00 0.00 H new ATOM 0 HA LEU A 88 4.524 9.260 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.044 11.360 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.679 10.737 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 88 4.016 8.451 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.606 8.608 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.132 9.831 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.101 10.304 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.990 7.890 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.485 9.586 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.217 8.599 -2.374 1.00 0.00 H new ATOM 1423 N SER A 89 6.653 10.390 1.326 1.00 0.00 N ATOM 1424 CA SER A 89 7.772 11.059 2.047 1.00 0.00 C ATOM 1425 C SER A 89 9.107 10.607 1.452 1.00 0.00 C ATOM 1426 O SER A 89 9.179 10.476 0.242 1.00 0.00 O ATOM 1427 CB SER A 89 7.721 10.683 3.529 1.00 0.00 C ATOM 1428 OG SER A 89 6.609 9.827 3.757 1.00 0.00 O ATOM 1429 OXT SER A 89 10.034 10.398 2.218 1.00 0.00 O ATOM 0 H SER A 89 6.799 9.402 1.120 1.00 0.00 H new ATOM 0 HA SER A 89 7.676 12.140 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.645 10.184 3.822 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.636 11.581 4.141 1.00 0.00 H new ATOM 0 HG SER A 89 6.745 8.980 3.283 1.00 0.00 H new