USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 574 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 56 MET CE :methyl 156:sc= 0 (180deg=-0.241) USER MOD Set 1.2: A 61 SER OG : rot -170:sc= -0.0541 USER MOD Single : A 1 LYS NZ :NH3+ -175:sc= 1.7 (180deg=1.57) USER MOD Single : A 2 ASN : amide:sc= 2.08 K(o=2.1,f=-0.083) USER MOD Single : A 6 SER OG : rot -164:sc= 0.406 USER MOD Single : A 8 MET CE :methyl 165:sc= -0.0442 (180deg=-0.363) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 171:sc= 0.996 (180deg=0.785) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 27:sc= 0.722 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : A 20 SER OG : rot -81:sc= -0.342 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 1.31 K(o=1.3,f=-0.053) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.018 (180deg=-0.206) USER MOD Single : A 31 THR OG1 : rot -31:sc= 0.297 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 178:sc= 0 (180deg=-0.00572) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0729) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -0.0249 (180deg=-0.215) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -18.612 9.084 5.262 1.00 20.00 N ATOM 2 CA MET A -7 -19.682 9.367 6.243 1.00 20.00 C ATOM 3 C MET A -7 -19.542 8.483 7.476 1.00 20.00 C ATOM 4 O MET A -7 -20.534 8.120 8.106 1.00 20.00 O ATOM 5 CB MET A -7 -21.059 9.165 5.604 1.00 20.00 C ATOM 6 CG MET A -7 -21.386 10.197 4.540 1.00 20.00 C ATOM 7 SD MET A -7 -23.013 9.954 3.806 1.00 20.00 S ATOM 8 CE MET A -7 -23.071 11.340 2.672 1.00 20.00 C ATOM 0 H1 MET A -7 -18.815 9.585 4.373 1.00 20.00 H new ATOM 0 H2 MET A -7 -17.699 9.407 5.641 1.00 20.00 H new ATOM 0 H3 MET A -7 -18.569 8.061 5.081 1.00 20.00 H new ATOM 0 HA MET A -7 -19.586 10.407 6.555 1.00 20.00 H new ATOM 0 HB2 MET A -7 -21.103 8.170 5.161 1.00 20.00 H new ATOM 0 HB3 MET A -7 -21.822 9.202 6.382 1.00 20.00 H new ATOM 0 HG2 MET A -7 -21.336 11.193 4.980 1.00 20.00 H new ATOM 0 HG3 MET A -7 -20.629 10.156 3.756 1.00 20.00 H new ATOM 0 HE1 MET A -7 -24.021 11.333 2.137 1.00 20.00 H new ATOM 0 HE2 MET A -7 -22.976 12.271 3.230 1.00 20.00 H new ATOM 0 HE3 MET A -7 -22.251 11.260 1.958 1.00 20.00 H new ATOM 20 N ASP A -6 -18.310 8.141 7.828 1.00 20.00 N ATOM 21 CA ASP A -6 -18.062 7.309 9.000 1.00 20.00 C ATOM 22 C ASP A -6 -17.672 8.172 10.193 1.00 20.00 C ATOM 23 O ASP A -6 -17.697 9.404 10.107 1.00 20.00 O ATOM 24 CB ASP A -6 -16.981 6.257 8.714 1.00 20.00 C ATOM 25 CG ASP A -6 -15.649 6.859 8.305 1.00 20.00 C ATOM 26 OD1 ASP A -6 -15.524 7.292 7.136 1.00 20.00 O ATOM 27 OD2 ASP A -6 -14.712 6.873 9.131 1.00 20.00 O ATOM 0 H ASP A -6 -17.470 8.424 7.323 1.00 20.00 H new ATOM 0 HA ASP A -6 -18.985 6.781 9.241 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -16.837 5.644 9.603 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -17.330 5.594 7.923 1.00 20.00 H new ATOM 32 N TYR A -5 -17.330 7.528 11.302 1.00 20.00 N ATOM 33 CA TYR A -5 -16.967 8.240 12.523 1.00 20.00 C ATOM 34 C TYR A -5 -15.744 9.124 12.292 1.00 20.00 C ATOM 35 O TYR A -5 -14.769 8.698 11.668 1.00 20.00 O ATOM 36 CB TYR A -5 -16.696 7.252 13.663 1.00 20.00 C ATOM 37 CG TYR A -5 -16.398 7.920 14.986 1.00 20.00 C ATOM 38 CD1 TYR A -5 -17.417 8.483 15.744 1.00 20.00 C ATOM 39 CD2 TYR A -5 -15.100 7.989 15.477 1.00 20.00 C ATOM 40 CE1 TYR A -5 -17.150 9.098 16.951 1.00 20.00 C ATOM 41 CE2 TYR A -5 -14.826 8.602 16.683 1.00 20.00 C ATOM 42 CZ TYR A -5 -15.855 9.153 17.417 1.00 20.00 C ATOM 43 OH TYR A -5 -15.587 9.766 18.618 1.00 20.00 O ATOM 0 H TYR A -5 -17.296 6.512 11.382 1.00 20.00 H new ATOM 0 HA TYR A -5 -17.806 8.877 12.804 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -17.562 6.601 13.781 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -15.854 6.616 13.389 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -18.434 8.439 15.383 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -14.292 7.556 14.906 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -17.953 9.534 17.527 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -13.811 8.650 17.050 1.00 20.00 H new ATOM 0 HH TYR A -5 -14.626 9.718 18.803 1.00 20.00 H new ATOM 53 N LYS A -4 -15.815 10.353 12.799 1.00 20.00 N ATOM 54 CA LYS A -4 -14.746 11.334 12.627 1.00 20.00 C ATOM 55 C LYS A -4 -14.483 11.551 11.135 1.00 20.00 C ATOM 56 O LYS A -4 -13.341 11.544 10.666 1.00 20.00 O ATOM 57 CB LYS A -4 -13.478 10.883 13.365 1.00 20.00 C ATOM 58 CG LYS A -4 -12.428 11.974 13.516 1.00 20.00 C ATOM 59 CD LYS A -4 -11.234 11.484 14.316 1.00 20.00 C ATOM 60 CE LYS A -4 -10.153 12.547 14.412 1.00 20.00 C ATOM 61 NZ LYS A -4 -8.964 12.061 15.162 1.00 20.00 N ATOM 0 H LYS A -4 -16.611 10.695 13.338 1.00 20.00 H new ATOM 0 HA LYS A -4 -15.054 12.285 13.062 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -13.756 10.521 14.355 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -13.038 10.042 12.830 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -12.098 12.303 12.531 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -12.869 12.840 14.010 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -11.557 11.201 15.318 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -10.824 10.589 13.849 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -9.851 12.850 13.409 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -10.556 13.432 14.904 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -8.249 12.815 15.206 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -9.247 11.796 16.127 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -8.564 11.232 14.678 1.00 20.00 H new ATOM 75 N ASP A -3 -15.570 11.726 10.398 1.00 20.00 N ATOM 76 CA ASP A -3 -15.519 11.950 8.958 1.00 20.00 C ATOM 77 C ASP A -3 -16.823 12.570 8.481 1.00 20.00 C ATOM 78 O ASP A -3 -16.819 13.552 7.741 1.00 20.00 O ATOM 79 CB ASP A -3 -15.265 10.635 8.209 1.00 20.00 C ATOM 80 CG ASP A -3 -15.504 10.760 6.716 1.00 20.00 C ATOM 81 OD1 ASP A -3 -14.588 11.198 5.987 1.00 20.00 O ATOM 82 OD2 ASP A -3 -16.613 10.420 6.259 1.00 20.00 O ATOM 0 H ASP A -3 -16.515 11.717 10.781 1.00 20.00 H new ATOM 0 HA ASP A -3 -14.696 12.633 8.748 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -14.238 10.314 8.383 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -15.915 9.859 8.614 1.00 20.00 H new ATOM 87 N ASP A -2 -17.935 11.985 8.912 1.00 20.00 N ATOM 88 CA ASP A -2 -19.261 12.471 8.536 1.00 20.00 C ATOM 89 C ASP A -2 -19.481 13.885 9.065 1.00 20.00 C ATOM 90 O ASP A -2 -19.517 14.847 8.296 1.00 20.00 O ATOM 91 CB ASP A -2 -20.333 11.523 9.092 1.00 20.00 C ATOM 92 CG ASP A -2 -21.750 11.954 8.763 1.00 20.00 C ATOM 93 OD1 ASP A -2 -22.303 12.800 9.493 1.00 20.00 O ATOM 94 OD2 ASP A -2 -22.330 11.422 7.795 1.00 20.00 O ATOM 0 H ASP A -2 -17.946 11.170 9.525 1.00 20.00 H new ATOM 0 HA ASP A -2 -19.334 12.497 7.449 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -20.164 10.523 8.694 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -20.223 11.458 10.175 1.00 20.00 H new ATOM 99 N ASP A -1 -19.609 13.989 10.388 1.00 20.00 N ATOM 100 CA ASP A -1 -19.709 15.273 11.098 1.00 20.00 C ATOM 101 C ASP A -1 -20.952 16.078 10.719 1.00 20.00 C ATOM 102 O ASP A -1 -21.185 17.159 11.268 1.00 20.00 O ATOM 103 CB ASP A -1 -18.448 16.111 10.885 1.00 20.00 C ATOM 104 CG ASP A -1 -17.277 15.599 11.696 1.00 20.00 C ATOM 105 OD1 ASP A -1 -16.621 14.629 11.264 1.00 20.00 O ATOM 106 OD2 ASP A -1 -17.015 16.155 12.781 1.00 20.00 O ATOM 0 H ASP A -1 -19.647 13.179 11.007 1.00 20.00 H new ATOM 0 HA ASP A -1 -19.806 15.028 12.156 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -18.185 16.106 9.827 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -18.652 17.146 11.158 1.00 20.00 H new ATOM 111 N ASP A 0 -21.743 15.564 9.792 1.00 20.00 N ATOM 112 CA ASP A 0 -22.984 16.213 9.401 1.00 20.00 C ATOM 113 C ASP A 0 -24.129 15.681 10.240 1.00 20.00 C ATOM 114 O ASP A 0 -24.699 16.397 11.064 1.00 20.00 O ATOM 115 CB ASP A 0 -23.277 16.003 7.914 1.00 20.00 C ATOM 116 CG ASP A 0 -22.312 16.751 7.016 1.00 20.00 C ATOM 117 OD1 ASP A 0 -22.208 17.988 7.147 1.00 20.00 O ATOM 118 OD2 ASP A 0 -21.657 16.106 6.168 1.00 20.00 O ATOM 0 H ASP A 0 -21.547 14.696 9.294 1.00 20.00 H new ATOM 0 HA ASP A 0 -22.877 17.284 9.572 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -23.229 14.938 7.685 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -24.294 16.329 7.699 1.00 20.00 H new ATOM 123 N LYS A 1 -24.451 14.412 10.045 1.00 20.00 N ATOM 124 CA LYS A 1 -25.508 13.779 10.813 1.00 20.00 C ATOM 125 C LYS A 1 -24.919 13.088 12.037 1.00 20.00 C ATOM 126 O LYS A 1 -25.592 12.913 13.048 1.00 20.00 O ATOM 127 CB LYS A 1 -26.323 12.803 9.938 1.00 20.00 C ATOM 128 CG LYS A 1 -25.558 11.594 9.400 1.00 20.00 C ATOM 129 CD LYS A 1 -25.496 10.462 10.419 1.00 20.00 C ATOM 130 CE LYS A 1 -24.972 9.172 9.806 1.00 20.00 C ATOM 131 NZ LYS A 1 -23.600 9.318 9.251 1.00 20.00 N ATOM 0 H LYS A 1 -23.997 13.803 9.364 1.00 20.00 H new ATOM 0 HA LYS A 1 -26.201 14.546 11.159 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -27.170 12.443 10.521 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -26.731 13.357 9.092 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -26.038 11.237 8.489 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -24.546 11.895 9.130 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -24.854 10.756 11.249 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -26.490 10.290 10.831 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -24.972 8.388 10.563 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -25.648 8.850 9.014 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -23.324 8.437 8.771 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -23.583 10.103 8.569 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -22.932 9.515 10.023 1.00 20.00 H new ATOM 145 N ASN A 2 -23.650 12.711 11.938 1.00 20.00 N ATOM 146 CA ASN A 2 -22.950 12.074 13.045 1.00 20.00 C ATOM 147 C ASN A 2 -21.876 13.008 13.588 1.00 20.00 C ATOM 148 O ASN A 2 -20.768 13.082 13.050 1.00 20.00 O ATOM 149 CB ASN A 2 -22.322 10.749 12.598 1.00 20.00 C ATOM 150 CG ASN A 2 -21.617 10.024 13.732 1.00 20.00 C ATOM 151 OD1 ASN A 2 -20.431 10.233 13.976 1.00 20.00 O ATOM 152 ND2 ASN A 2 -22.338 9.165 14.430 1.00 20.00 N ATOM 0 H ASN A 2 -23.084 12.836 11.099 1.00 20.00 H new ATOM 0 HA ASN A 2 -23.671 11.863 13.835 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -23.098 10.104 12.186 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -21.609 10.941 11.796 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -21.912 8.649 15.200 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -23.320 9.017 14.199 1.00 20.00 H new ATOM 159 N ARG A 3 -22.212 13.738 14.638 1.00 20.00 N ATOM 160 CA ARG A 3 -21.284 14.685 15.238 1.00 20.00 C ATOM 161 C ARG A 3 -20.733 14.129 16.544 1.00 20.00 C ATOM 162 O ARG A 3 -21.074 14.609 17.626 1.00 20.00 O ATOM 163 CB ARG A 3 -21.981 16.023 15.489 1.00 20.00 C ATOM 164 CG ARG A 3 -22.545 16.660 14.229 1.00 20.00 C ATOM 165 CD ARG A 3 -23.367 17.894 14.554 1.00 20.00 C ATOM 166 NE ARG A 3 -24.490 17.581 15.436 1.00 20.00 N ATOM 167 CZ ARG A 3 -25.422 18.459 15.795 1.00 20.00 C ATOM 168 NH1 ARG A 3 -25.372 19.710 15.347 1.00 20.00 N ATOM 169 NH2 ARG A 3 -26.406 18.086 16.603 1.00 20.00 N ATOM 0 H ARG A 3 -23.123 13.694 15.095 1.00 20.00 H new ATOM 0 HA ARG A 3 -20.456 14.845 14.548 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -22.790 15.873 16.204 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -21.272 16.712 15.949 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -21.729 16.930 13.559 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -23.165 15.937 13.700 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -22.730 18.641 15.028 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -23.742 18.335 13.630 1.00 20.00 H new ATOM 0 HE ARG A 3 -24.563 16.630 15.798 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -24.617 19.999 14.725 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -26.089 20.380 15.625 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -26.447 17.127 16.948 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -27.122 18.758 16.879 1.00 20.00 H new ATOM 183 N ALA A 4 -19.894 13.101 16.423 1.00 20.00 N ATOM 184 CA ALA A 4 -19.269 12.454 17.573 1.00 20.00 C ATOM 185 C ALA A 4 -20.316 11.868 18.520 1.00 20.00 C ATOM 186 O ALA A 4 -21.487 11.731 18.156 1.00 20.00 O ATOM 187 CB ALA A 4 -18.356 13.430 18.306 1.00 20.00 C ATOM 0 H ALA A 4 -19.629 12.695 15.526 1.00 20.00 H new ATOM 0 HA ALA A 4 -18.662 11.627 17.204 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -17.899 12.930 19.160 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -17.576 13.777 17.629 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -18.939 14.282 18.654 1.00 20.00 H new ATOM 193 N LEU A 5 -19.868 11.485 19.719 1.00 20.00 N ATOM 194 CA LEU A 5 -20.740 10.939 20.765 1.00 20.00 C ATOM 195 C LEU A 5 -21.344 9.597 20.361 1.00 20.00 C ATOM 196 O LEU A 5 -22.168 9.037 21.088 1.00 20.00 O ATOM 197 CB LEU A 5 -21.863 11.922 21.129 1.00 20.00 C ATOM 198 CG LEU A 5 -21.465 13.084 22.049 1.00 20.00 C ATOM 199 CD1 LEU A 5 -20.562 14.076 21.333 1.00 20.00 C ATOM 200 CD2 LEU A 5 -22.703 13.782 22.585 1.00 20.00 C ATOM 0 H LEU A 5 -18.887 11.545 19.993 1.00 20.00 H new ATOM 0 HA LEU A 5 -20.110 10.782 21.641 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -22.269 12.337 20.207 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -22.667 11.364 21.608 1.00 20.00 H new ATOM 0 HG LEU A 5 -20.904 12.670 22.887 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -20.299 14.886 22.014 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -19.654 13.570 21.004 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -21.084 14.484 20.468 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -22.404 14.604 23.236 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -23.289 14.173 21.753 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -23.305 13.071 23.151 1.00 20.00 H new ATOM 212 N SER A 6 -20.926 9.072 19.218 1.00 20.00 N ATOM 213 CA SER A 6 -21.480 7.835 18.703 1.00 20.00 C ATOM 214 C SER A 6 -20.694 7.352 17.492 1.00 20.00 C ATOM 215 O SER A 6 -20.862 7.867 16.388 1.00 20.00 O ATOM 216 CB SER A 6 -22.947 8.043 18.319 1.00 20.00 C ATOM 217 OG SER A 6 -23.538 6.844 17.849 1.00 20.00 O ATOM 0 H SER A 6 -20.203 9.487 18.631 1.00 20.00 H new ATOM 0 HA SER A 6 -21.412 7.077 19.483 1.00 20.00 H new ATOM 0 HB2 SER A 6 -23.502 8.408 19.183 1.00 20.00 H new ATOM 0 HB3 SER A 6 -23.017 8.810 17.548 1.00 20.00 H new ATOM 0 HG SER A 6 -24.371 7.053 17.376 1.00 20.00 H new ATOM 223 N PRO A 7 -19.795 6.378 17.690 1.00 20.00 N ATOM 224 CA PRO A 7 -19.102 5.716 16.585 1.00 20.00 C ATOM 225 C PRO A 7 -20.076 4.882 15.761 1.00 20.00 C ATOM 226 O PRO A 7 -20.147 5.009 14.539 1.00 20.00 O ATOM 227 CB PRO A 7 -18.067 4.815 17.278 1.00 20.00 C ATOM 228 CG PRO A 7 -18.010 5.290 18.694 1.00 20.00 C ATOM 229 CD PRO A 7 -19.363 5.863 18.995 1.00 20.00 C ATOM 0 HA PRO A 7 -18.645 6.424 15.893 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -18.362 3.767 17.227 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -17.092 4.895 16.797 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -17.775 4.469 19.371 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -17.231 6.042 18.822 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -20.047 5.106 19.378 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -19.310 6.653 19.744 1.00 20.00 H new ATOM 237 N MET A 8 -20.832 4.036 16.447 1.00 20.00 N ATOM 238 CA MET A 8 -21.860 3.231 15.810 1.00 20.00 C ATOM 239 C MET A 8 -22.937 2.876 16.832 1.00 20.00 C ATOM 240 O MET A 8 -23.301 1.714 17.013 1.00 20.00 O ATOM 241 CB MET A 8 -21.246 1.965 15.193 1.00 20.00 C ATOM 242 CG MET A 8 -22.213 1.161 14.334 1.00 20.00 C ATOM 243 SD MET A 8 -22.885 2.111 12.952 1.00 20.00 S ATOM 244 CE MET A 8 -21.402 2.449 12.003 1.00 20.00 C ATOM 0 H MET A 8 -20.750 3.890 17.453 1.00 20.00 H new ATOM 0 HA MET A 8 -22.318 3.804 15.004 1.00 20.00 H new ATOM 0 HB2 MET A 8 -20.387 2.250 14.585 1.00 20.00 H new ATOM 0 HB3 MET A 8 -20.872 1.328 15.994 1.00 20.00 H new ATOM 0 HG2 MET A 8 -21.701 0.280 13.947 1.00 20.00 H new ATOM 0 HG3 MET A 8 -23.034 0.805 14.957 1.00 20.00 H new ATOM 0 HE1 MET A 8 -21.678 2.787 11.004 1.00 20.00 H new ATOM 0 HE2 MET A 8 -20.820 3.225 12.501 1.00 20.00 H new ATOM 0 HE3 MET A 8 -20.804 1.541 11.926 1.00 20.00 H new ATOM 254 N VAL A 9 -23.432 3.896 17.518 1.00 20.00 N ATOM 255 CA VAL A 9 -24.468 3.707 18.518 1.00 20.00 C ATOM 256 C VAL A 9 -25.809 4.182 17.975 1.00 20.00 C ATOM 257 O VAL A 9 -26.119 5.373 18.018 1.00 20.00 O ATOM 258 CB VAL A 9 -24.149 4.464 19.825 1.00 20.00 C ATOM 259 CG1 VAL A 9 -25.179 4.147 20.899 1.00 20.00 C ATOM 260 CG2 VAL A 9 -22.749 4.136 20.315 1.00 20.00 C ATOM 0 H VAL A 9 -23.131 4.863 17.399 1.00 20.00 H new ATOM 0 HA VAL A 9 -24.513 2.642 18.745 1.00 20.00 H new ATOM 0 HB VAL A 9 -24.193 5.532 19.613 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -24.933 4.692 21.811 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -26.169 4.445 20.553 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -25.174 3.076 21.103 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -22.549 4.682 21.237 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -22.671 3.065 20.503 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -22.021 4.425 19.557 1.00 20.00 H new ATOM 270 N SER A 10 -26.581 3.242 17.438 1.00 20.00 N ATOM 271 CA SER A 10 -27.904 3.535 16.889 1.00 20.00 C ATOM 272 C SER A 10 -27.814 4.477 15.685 1.00 20.00 C ATOM 273 O SER A 10 -28.743 5.237 15.400 1.00 20.00 O ATOM 274 CB SER A 10 -28.804 4.129 17.977 1.00 20.00 C ATOM 275 OG SER A 10 -28.869 3.271 19.108 1.00 20.00 O ATOM 0 H SER A 10 -26.311 2.261 17.370 1.00 20.00 H new ATOM 0 HA SER A 10 -28.342 2.600 16.540 1.00 20.00 H new ATOM 0 HB2 SER A 10 -28.422 5.105 18.278 1.00 20.00 H new ATOM 0 HB3 SER A 10 -29.806 4.288 17.579 1.00 20.00 H new ATOM 0 HG SER A 10 -29.448 3.672 19.790 1.00 20.00 H new ATOM 281 N GLU A 11 -26.692 4.413 14.980 1.00 20.00 N ATOM 282 CA GLU A 11 -26.486 5.211 13.777 1.00 20.00 C ATOM 283 C GLU A 11 -26.954 4.425 12.561 1.00 20.00 C ATOM 284 O GLU A 11 -26.195 3.641 11.991 1.00 20.00 O ATOM 285 CB GLU A 11 -25.008 5.572 13.604 1.00 20.00 C ATOM 286 CG GLU A 11 -24.387 6.271 14.801 1.00 20.00 C ATOM 287 CD GLU A 11 -25.041 7.599 15.118 1.00 20.00 C ATOM 288 OE1 GLU A 11 -24.990 8.512 14.267 1.00 20.00 O ATOM 289 OE2 GLU A 11 -25.587 7.749 16.229 1.00 20.00 O ATOM 0 H GLU A 11 -25.905 3.812 15.223 1.00 20.00 H new ATOM 0 HA GLU A 11 -27.061 6.132 13.874 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -24.446 4.661 13.399 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -24.904 6.214 12.730 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -24.459 5.620 15.672 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -23.326 6.432 14.610 1.00 20.00 H new ATOM 296 N PHE A 12 -28.199 4.622 12.171 1.00 20.00 N ATOM 297 CA PHE A 12 -28.775 3.849 11.085 1.00 20.00 C ATOM 298 C PHE A 12 -28.758 4.631 9.780 1.00 20.00 C ATOM 299 O PHE A 12 -29.625 5.469 9.532 1.00 20.00 O ATOM 300 CB PHE A 12 -30.200 3.421 11.429 1.00 20.00 C ATOM 301 CG PHE A 12 -30.274 2.543 12.647 1.00 20.00 C ATOM 302 CD1 PHE A 12 -29.717 1.273 12.633 1.00 20.00 C ATOM 303 CD2 PHE A 12 -30.884 2.989 13.809 1.00 20.00 C ATOM 304 CE1 PHE A 12 -29.772 0.465 13.750 1.00 20.00 C ATOM 305 CE2 PHE A 12 -30.940 2.183 14.929 1.00 20.00 C ATOM 306 CZ PHE A 12 -30.384 0.920 14.900 1.00 20.00 C ATOM 0 H PHE A 12 -28.829 5.307 12.587 1.00 20.00 H new ATOM 0 HA PHE A 12 -28.163 2.957 10.951 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -30.811 4.309 11.591 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -30.629 2.890 10.579 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -29.234 0.912 11.737 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -31.320 3.977 13.839 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -29.336 -0.523 13.724 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -31.419 2.541 15.828 1.00 20.00 H new ATOM 0 HZ PHE A 12 -30.428 0.289 15.776 1.00 20.00 H new ATOM 316 N GLU A 13 -27.764 4.349 8.956 1.00 20.00 N ATOM 317 CA GLU A 13 -27.647 4.962 7.644 1.00 20.00 C ATOM 318 C GLU A 13 -27.414 3.874 6.604 1.00 20.00 C ATOM 319 O GLU A 13 -27.232 2.710 6.968 1.00 20.00 O ATOM 320 CB GLU A 13 -26.503 5.980 7.617 1.00 20.00 C ATOM 321 CG GLU A 13 -25.122 5.364 7.795 1.00 20.00 C ATOM 322 CD GLU A 13 -24.013 6.342 7.481 1.00 20.00 C ATOM 323 OE1 GLU A 13 -23.805 6.644 6.287 1.00 20.00 O ATOM 324 OE2 GLU A 13 -23.347 6.817 8.421 1.00 20.00 O ATOM 0 H GLU A 13 -27.017 3.690 9.176 1.00 20.00 H new ATOM 0 HA GLU A 13 -28.571 5.494 7.416 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -26.531 6.517 6.669 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -26.666 6.715 8.405 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -25.013 5.012 8.821 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -25.029 4.492 7.147 1.00 20.00 H new ATOM 331 N THR A 14 -27.395 4.253 5.323 1.00 20.00 N ATOM 332 CA THR A 14 -27.256 3.295 4.218 1.00 20.00 C ATOM 333 C THR A 14 -28.155 2.076 4.425 1.00 20.00 C ATOM 334 O THR A 14 -27.682 0.943 4.532 1.00 20.00 O ATOM 335 CB THR A 14 -25.791 2.837 4.012 1.00 20.00 C ATOM 336 OG1 THR A 14 -25.194 2.467 5.263 1.00 20.00 O ATOM 337 CG2 THR A 14 -24.964 3.926 3.351 1.00 20.00 C ATOM 0 H THR A 14 -27.475 5.224 5.022 1.00 20.00 H new ATOM 0 HA THR A 14 -27.570 3.822 3.317 1.00 20.00 H new ATOM 0 HB THR A 14 -25.808 1.967 3.355 1.00 20.00 H new ATOM 0 HG1 THR A 14 -25.892 2.167 5.882 1.00 20.00 H new ATOM 0 HG21 THR A 14 -23.940 3.576 3.219 1.00 20.00 H new ATOM 0 HG22 THR A 14 -25.393 4.169 2.379 1.00 20.00 H new ATOM 0 HG23 THR A 14 -24.965 4.816 3.980 1.00 20.00 H new ATOM 345 N ILE A 15 -29.458 2.325 4.476 1.00 20.00 N ATOM 346 CA ILE A 15 -30.432 1.298 4.819 1.00 20.00 C ATOM 347 C ILE A 15 -30.496 0.206 3.754 1.00 20.00 C ATOM 348 O ILE A 15 -30.608 -0.982 4.069 1.00 20.00 O ATOM 349 CB ILE A 15 -31.826 1.924 5.033 1.00 20.00 C ATOM 350 CG1 ILE A 15 -31.784 2.911 6.208 1.00 20.00 C ATOM 351 CG2 ILE A 15 -32.879 0.854 5.271 1.00 20.00 C ATOM 352 CD1 ILE A 15 -31.309 2.297 7.510 1.00 20.00 C ATOM 0 H ILE A 15 -29.867 3.239 4.282 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.108 0.834 5.751 1.00 20.00 H new ATOM 0 HB ILE A 15 -32.101 2.464 4.127 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.127 3.742 5.949 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -32.781 3.327 6.356 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -33.850 1.326 5.418 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -32.925 0.191 4.407 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -32.618 0.277 6.158 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -31.307 3.057 8.291 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -31.978 1.485 7.795 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -30.300 1.907 7.381 1.00 20.00 H new ATOM 364 N GLU A 16 -30.391 0.608 2.499 1.00 20.00 N ATOM 365 CA GLU A 16 -30.430 -0.338 1.393 1.00 20.00 C ATOM 366 C GLU A 16 -29.194 -1.228 1.423 1.00 20.00 C ATOM 367 O GLU A 16 -29.284 -2.443 1.248 1.00 20.00 O ATOM 368 CB GLU A 16 -30.508 0.403 0.058 1.00 20.00 C ATOM 369 CG GLU A 16 -31.693 1.350 -0.055 1.00 20.00 C ATOM 370 CD GLU A 16 -31.697 2.109 -1.362 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.014 3.150 -1.451 1.00 20.00 O ATOM 372 OE2 GLU A 16 -32.381 1.669 -2.308 1.00 20.00 O ATOM 0 H GLU A 16 -30.278 1.582 2.219 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.319 -0.960 1.499 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -29.588 0.970 -0.086 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.562 -0.328 -0.749 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.619 0.782 0.036 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.670 2.058 0.774 1.00 20.00 H new ATOM 379 N GLN A 17 -28.045 -0.609 1.672 1.00 20.00 N ATOM 380 CA GLN A 17 -26.773 -1.320 1.725 1.00 20.00 C ATOM 381 C GLN A 17 -26.736 -2.276 2.909 1.00 20.00 C ATOM 382 O GLN A 17 -26.192 -3.376 2.815 1.00 20.00 O ATOM 383 CB GLN A 17 -25.622 -0.321 1.830 1.00 20.00 C ATOM 384 CG GLN A 17 -24.244 -0.960 1.816 1.00 20.00 C ATOM 385 CD GLN A 17 -23.140 0.055 2.035 1.00 20.00 C ATOM 386 OE1 GLN A 17 -22.745 0.321 3.171 1.00 20.00 O ATOM 387 NE2 GLN A 17 -22.632 0.627 0.956 1.00 20.00 N ATOM 0 H GLN A 17 -27.969 0.394 1.842 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.666 -1.901 0.809 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.692 0.386 1.003 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.736 0.253 2.750 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.192 -1.724 2.592 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.088 -1.463 0.862 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -22.987 0.379 0.032 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.885 1.316 1.048 1.00 20.00 H new ATOM 396 N GLU A 18 -27.327 -1.851 4.016 1.00 20.00 N ATOM 397 CA GLU A 18 -27.335 -2.648 5.234 1.00 20.00 C ATOM 398 C GLU A 18 -28.036 -3.984 4.992 1.00 20.00 C ATOM 399 O GLU A 18 -27.538 -5.042 5.381 1.00 20.00 O ATOM 400 CB GLU A 18 -28.032 -1.879 6.363 1.00 20.00 C ATOM 401 CG GLU A 18 -27.859 -2.511 7.732 1.00 20.00 C ATOM 402 CD GLU A 18 -26.414 -2.529 8.179 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.918 -1.482 8.650 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.763 -3.588 8.068 1.00 20.00 O ATOM 0 H GLU A 18 -27.809 -0.956 4.096 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.304 -2.846 5.528 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.643 -0.861 6.391 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -29.096 -1.807 6.138 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.455 -1.962 8.461 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.243 -3.531 7.710 1.00 20.00 H new ATOM 411 N ASN A 19 -29.176 -3.932 4.317 1.00 20.00 N ATOM 412 CA ASN A 19 -29.959 -5.133 4.053 1.00 20.00 C ATOM 413 C ASN A 19 -29.291 -6.006 2.998 1.00 20.00 C ATOM 414 O ASN A 19 -29.217 -7.225 3.153 1.00 20.00 O ATOM 415 CB ASN A 19 -31.387 -4.779 3.623 1.00 20.00 C ATOM 416 CG ASN A 19 -32.259 -4.355 4.792 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.913 -5.183 5.425 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.277 -3.065 5.089 1.00 20.00 N ATOM 0 H ASN A 19 -29.579 -3.073 3.943 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.011 -5.699 4.983 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.353 -3.974 2.889 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.839 -5.640 3.131 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.846 -2.728 5.865 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.721 -2.408 4.541 1.00 20.00 H new ATOM 425 N SER A 20 -28.773 -5.381 1.945 1.00 20.00 N ATOM 426 CA SER A 20 -28.140 -6.121 0.861 1.00 20.00 C ATOM 427 C SER A 20 -26.875 -6.826 1.346 1.00 20.00 C ATOM 428 O SER A 20 -26.543 -7.922 0.888 1.00 20.00 O ATOM 429 CB SER A 20 -27.822 -5.185 -0.311 1.00 20.00 C ATOM 430 OG SER A 20 -27.139 -4.021 0.127 1.00 20.00 O ATOM 0 H SER A 20 -28.779 -4.369 1.820 1.00 20.00 H new ATOM 0 HA SER A 20 -28.838 -6.884 0.516 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.212 -5.712 -1.045 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.747 -4.899 -0.812 1.00 20.00 H new ATOM 0 HG SER A 20 -27.785 -3.379 0.488 1.00 20.00 H new ATOM 436 N TYR A 21 -26.177 -6.200 2.284 1.00 20.00 N ATOM 437 CA TYR A 21 -24.964 -6.780 2.835 1.00 20.00 C ATOM 438 C TYR A 21 -25.302 -7.951 3.753 1.00 20.00 C ATOM 439 O TYR A 21 -24.609 -8.970 3.757 1.00 20.00 O ATOM 440 CB TYR A 21 -24.156 -5.728 3.595 1.00 20.00 C ATOM 441 CG TYR A 21 -22.803 -6.226 4.046 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.739 -6.294 3.157 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.590 -6.639 5.356 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.503 -6.755 3.558 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.355 -7.102 5.764 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.315 -7.157 4.862 1.00 20.00 C ATOM 447 OH TYR A 21 -19.083 -7.621 5.262 1.00 20.00 O ATOM 0 H TYR A 21 -26.430 -5.293 2.677 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.357 -7.148 2.008 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.020 -4.854 2.958 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.725 -5.402 4.466 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.882 -5.980 2.133 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.403 -6.597 6.066 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.686 -6.801 2.853 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.205 -7.420 6.785 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.117 -7.863 6.211 1.00 20.00 H new ATOM 457 N ASN A 22 -26.378 -7.809 4.518 1.00 20.00 N ATOM 458 CA ASN A 22 -26.822 -8.879 5.409 1.00 20.00 C ATOM 459 C ASN A 22 -27.243 -10.106 4.613 1.00 20.00 C ATOM 460 O ASN A 22 -27.047 -11.239 5.056 1.00 20.00 O ATOM 461 CB ASN A 22 -27.970 -8.418 6.311 1.00 20.00 C ATOM 462 CG ASN A 22 -27.472 -7.830 7.620 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.272 -8.553 8.599 1.00 20.00 O ATOM 464 ND2 ASN A 22 -27.276 -6.522 7.656 1.00 20.00 N ATOM 0 H ASN A 22 -26.957 -6.970 4.541 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.977 -9.144 6.044 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.567 -7.673 5.784 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.626 -9.263 6.521 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.948 -6.079 8.514 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.452 -5.957 6.825 1.00 20.00 H new ATOM 471 N GLU A 23 -27.803 -9.878 3.432 1.00 20.00 N ATOM 472 CA GLU A 23 -28.176 -10.969 2.541 1.00 20.00 C ATOM 473 C GLU A 23 -26.943 -11.753 2.109 1.00 20.00 C ATOM 474 O GLU A 23 -26.980 -12.980 2.008 1.00 20.00 O ATOM 475 CB GLU A 23 -28.915 -10.443 1.311 1.00 20.00 C ATOM 476 CG GLU A 23 -30.291 -9.879 1.614 1.00 20.00 C ATOM 477 CD GLU A 23 -31.061 -9.544 0.358 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.901 -8.424 -0.165 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.817 -10.411 -0.130 1.00 20.00 O ATOM 0 H GLU A 23 -28.009 -8.947 3.069 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.844 -11.633 3.089 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.311 -9.667 0.841 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.016 -11.251 0.587 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.856 -10.602 2.202 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.188 -8.982 2.225 1.00 20.00 H new ATOM 486 N TRP A 24 -25.852 -11.042 1.859 1.00 20.00 N ATOM 487 CA TRP A 24 -24.600 -11.683 1.491 1.00 20.00 C ATOM 488 C TRP A 24 -23.999 -12.410 2.690 1.00 20.00 C ATOM 489 O TRP A 24 -23.440 -13.495 2.548 1.00 20.00 O ATOM 490 CB TRP A 24 -23.600 -10.669 0.931 1.00 20.00 C ATOM 491 CG TRP A 24 -22.243 -11.261 0.709 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.093 -10.941 1.370 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.900 -12.298 -0.217 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.056 -11.710 0.907 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.525 -12.550 -0.069 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.621 -13.036 -1.162 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.858 -13.509 -0.825 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.958 -13.988 -1.912 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.587 -14.217 -1.740 1.00 20.00 C ATOM 0 H TRP A 24 -25.810 -10.024 1.904 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.816 -12.411 0.709 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.978 -10.274 -0.012 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.517 -9.828 1.619 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.011 -10.192 2.144 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.092 -11.664 1.236 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.678 -12.864 -1.303 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.801 -13.688 -0.694 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.506 -14.565 -2.643 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.096 -14.967 -2.342 1.00 20.00 H new ATOM 510 N LEU A 25 -24.129 -11.814 3.868 1.00 20.00 N ATOM 511 CA LEU A 25 -23.635 -12.427 5.096 1.00 20.00 C ATOM 512 C LEU A 25 -24.262 -13.805 5.289 1.00 20.00 C ATOM 513 O LEU A 25 -23.581 -14.769 5.645 1.00 20.00 O ATOM 514 CB LEU A 25 -23.943 -11.528 6.301 1.00 20.00 C ATOM 515 CG LEU A 25 -23.442 -12.041 7.654 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.921 -12.117 7.676 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.947 -11.150 8.779 1.00 20.00 C ATOM 0 H LEU A 25 -24.573 -10.905 4.000 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.554 -12.544 5.017 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.506 -10.546 6.120 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.022 -11.390 6.362 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.834 -13.047 7.804 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.589 -12.484 8.647 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.579 -12.796 6.895 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.505 -11.125 7.501 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.582 -11.528 9.734 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.584 -10.133 8.629 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.037 -11.150 8.781 1.00 20.00 H new ATOM 529 N ARG A 26 -25.559 -13.895 5.017 1.00 20.00 N ATOM 530 CA ARG A 26 -26.288 -15.153 5.134 1.00 20.00 C ATOM 531 C ARG A 26 -25.872 -16.134 4.040 1.00 20.00 C ATOM 532 O ARG A 26 -25.950 -17.348 4.219 1.00 20.00 O ATOM 533 CB ARG A 26 -27.797 -14.900 5.060 1.00 20.00 C ATOM 534 CG ARG A 26 -28.338 -14.061 6.207 1.00 20.00 C ATOM 535 CD ARG A 26 -29.837 -13.830 6.074 1.00 20.00 C ATOM 536 NE ARG A 26 -30.592 -15.084 6.090 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.917 -15.158 5.957 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.634 -14.057 5.762 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.523 -16.335 6.009 1.00 20.00 N ATOM 0 H ARG A 26 -26.130 -13.107 4.712 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.044 -15.594 6.101 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.026 -14.401 4.118 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.316 -15.858 5.048 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.129 -14.559 7.153 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.822 -13.101 6.231 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.178 -13.192 6.889 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.040 -13.297 5.145 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.073 -15.954 6.210 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.172 -13.149 5.713 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.647 -14.119 5.661 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.976 -17.184 6.151 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.536 -16.392 5.907 1.00 20.00 H new ATOM 553 N ALA A 27 -25.427 -15.602 2.911 1.00 20.00 N ATOM 554 CA ALA A 27 -25.017 -16.429 1.785 1.00 20.00 C ATOM 555 C ALA A 27 -23.587 -16.926 1.963 1.00 20.00 C ATOM 556 O ALA A 27 -23.241 -18.024 1.528 1.00 20.00 O ATOM 557 CB ALA A 27 -25.145 -15.653 0.484 1.00 20.00 C ATOM 0 H ALA A 27 -25.340 -14.599 2.750 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.676 -17.296 1.745 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.835 -16.285 -0.348 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.182 -15.349 0.342 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.510 -14.768 0.524 1.00 20.00 H new ATOM 563 N LYS A 28 -22.763 -16.111 2.605 1.00 20.00 N ATOM 564 CA LYS A 28 -21.365 -16.451 2.829 1.00 20.00 C ATOM 565 C LYS A 28 -21.235 -17.515 3.917 1.00 20.00 C ATOM 566 O LYS A 28 -20.432 -18.439 3.801 1.00 20.00 O ATOM 567 CB LYS A 28 -20.562 -15.205 3.219 1.00 20.00 C ATOM 568 CG LYS A 28 -19.079 -15.475 3.430 1.00 20.00 C ATOM 569 CD LYS A 28 -18.351 -14.231 3.909 1.00 20.00 C ATOM 570 CE LYS A 28 -16.866 -14.494 4.130 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.628 -15.547 5.153 1.00 20.00 N ATOM 0 H LYS A 28 -23.040 -15.205 2.982 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.963 -16.851 1.898 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.678 -14.450 2.441 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.980 -14.786 4.134 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -18.954 -16.275 4.160 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.635 -15.822 2.497 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.474 -13.433 3.176 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.801 -13.882 4.839 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -16.408 -14.795 3.188 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.378 -13.571 4.441 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.626 -15.541 5.431 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.220 -15.360 5.987 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.871 -16.477 4.757 1.00 20.00 H new ATOM 585 N VAL A 29 -22.045 -17.392 4.964 1.00 20.00 N ATOM 586 CA VAL A 29 -22.006 -18.337 6.077 1.00 20.00 C ATOM 587 C VAL A 29 -22.590 -19.693 5.658 1.00 20.00 C ATOM 588 O VAL A 29 -22.522 -20.681 6.395 1.00 20.00 O ATOM 589 CB VAL A 29 -22.765 -17.784 7.309 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.272 -17.846 7.105 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.349 -18.516 8.575 1.00 20.00 C ATOM 0 H VAL A 29 -22.736 -16.649 5.066 1.00 20.00 H new ATOM 0 HA VAL A 29 -20.962 -18.477 6.356 1.00 20.00 H new ATOM 0 HB VAL A 29 -22.495 -16.734 7.424 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.775 -17.451 7.987 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.546 -17.251 6.234 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.576 -18.881 6.947 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -22.895 -18.110 9.426 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.574 -19.578 8.472 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -21.279 -18.386 8.735 1.00 20.00 H new ATOM 601 N ALA A 30 -23.152 -19.728 4.458 1.00 20.00 N ATOM 602 CA ALA A 30 -23.703 -20.947 3.894 1.00 20.00 C ATOM 603 C ALA A 30 -23.300 -21.069 2.428 1.00 20.00 C ATOM 604 O ALA A 30 -24.109 -21.426 1.573 1.00 20.00 O ATOM 605 CB ALA A 30 -25.218 -20.954 4.041 1.00 20.00 C ATOM 0 H ALA A 30 -23.238 -18.913 3.851 1.00 20.00 H new ATOM 0 HA ALA A 30 -23.304 -21.805 4.435 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -25.621 -21.873 3.615 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -25.481 -20.898 5.097 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.638 -20.096 3.517 1.00 20.00 H new ATOM 611 N THR A 31 -22.039 -20.770 2.148 1.00 20.00 N ATOM 612 CA THR A 31 -21.535 -20.760 0.781 1.00 20.00 C ATOM 613 C THR A 31 -21.130 -22.161 0.330 1.00 20.00 C ATOM 614 O THR A 31 -20.900 -22.401 -0.857 1.00 20.00 O ATOM 615 CB THR A 31 -20.327 -19.805 0.633 1.00 20.00 C ATOM 616 OG1 THR A 31 -19.911 -19.733 -0.735 1.00 20.00 O ATOM 617 CG2 THR A 31 -19.158 -20.260 1.493 1.00 20.00 C ATOM 0 H THR A 31 -21.343 -20.530 2.854 1.00 20.00 H new ATOM 0 HA THR A 31 -22.347 -20.404 0.147 1.00 20.00 H new ATOM 0 HB THR A 31 -20.644 -18.818 0.969 1.00 20.00 H new ATOM 0 HG1 THR A 31 -20.094 -20.588 -1.178 1.00 20.00 H new ATOM 0 HG21 THR A 31 -18.324 -19.569 1.368 1.00 20.00 H new ATOM 0 HG22 THR A 31 -19.461 -20.277 2.540 1.00 20.00 H new ATOM 0 HG23 THR A 31 -18.850 -21.260 1.188 1.00 20.00 H new ATOM 625 N SER A 32 -21.051 -23.079 1.277 1.00 20.00 N ATOM 626 CA SER A 32 -20.621 -24.434 0.988 1.00 20.00 C ATOM 627 C SER A 32 -21.464 -25.432 1.775 1.00 20.00 C ATOM 628 O SER A 32 -22.015 -25.097 2.829 1.00 20.00 O ATOM 629 CB SER A 32 -19.136 -24.588 1.339 1.00 20.00 C ATOM 630 OG SER A 32 -18.641 -25.868 0.980 1.00 20.00 O ATOM 0 H SER A 32 -21.280 -22.909 2.256 1.00 20.00 H new ATOM 0 HA SER A 32 -20.755 -24.636 -0.075 1.00 20.00 H new ATOM 0 HB2 SER A 32 -18.559 -23.818 0.826 1.00 20.00 H new ATOM 0 HB3 SER A 32 -18.997 -24.431 2.409 1.00 20.00 H new ATOM 0 HG SER A 32 -17.692 -25.930 1.217 1.00 20.00 H new ATOM 636 N LEU A 33 -21.576 -26.647 1.259 1.00 20.00 N ATOM 637 CA LEU A 33 -22.314 -27.696 1.935 1.00 20.00 C ATOM 638 C LEU A 33 -21.369 -28.847 2.258 1.00 20.00 C ATOM 639 O LEU A 33 -21.632 -30.007 1.928 1.00 20.00 O ATOM 640 CB LEU A 33 -23.477 -28.184 1.063 1.00 20.00 C ATOM 641 CG LEU A 33 -24.802 -28.426 1.800 1.00 20.00 C ATOM 642 CD1 LEU A 33 -25.882 -28.859 0.820 1.00 20.00 C ATOM 643 CD2 LEU A 33 -24.643 -29.465 2.901 1.00 20.00 C ATOM 0 H LEU A 33 -21.162 -26.929 0.370 1.00 20.00 H new ATOM 0 HA LEU A 33 -22.731 -27.302 2.862 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -23.649 -27.451 0.275 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -23.178 -29.112 0.576 1.00 20.00 H new ATOM 0 HG LEU A 33 -25.101 -27.487 2.265 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -26.815 -29.027 1.358 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -26.029 -28.079 0.073 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -25.577 -29.782 0.327 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -25.599 -29.613 3.403 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -24.312 -30.408 2.466 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -23.904 -29.119 3.624 1.00 20.00 H new ATOM 655 N ALA A 34 -20.255 -28.509 2.893 1.00 20.00 N ATOM 656 CA ALA A 34 -19.270 -29.500 3.304 1.00 20.00 C ATOM 657 C ALA A 34 -19.707 -30.158 4.605 1.00 20.00 C ATOM 658 O ALA A 34 -19.003 -30.113 5.617 1.00 20.00 O ATOM 659 CB ALA A 34 -17.900 -28.852 3.456 1.00 20.00 C ATOM 0 H ALA A 34 -20.010 -27.549 3.136 1.00 20.00 H new ATOM 0 HA ALA A 34 -19.197 -30.270 2.536 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -17.174 -29.604 3.764 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -17.594 -28.420 2.503 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -17.951 -28.067 4.210 1.00 20.00 H new ATOM 665 N ASP A 35 -20.883 -30.760 4.567 1.00 20.00 N ATOM 666 CA ASP A 35 -21.492 -31.348 5.747 1.00 20.00 C ATOM 667 C ASP A 35 -21.336 -32.863 5.734 1.00 20.00 C ATOM 668 O ASP A 35 -21.790 -33.534 4.806 1.00 20.00 O ATOM 669 CB ASP A 35 -22.972 -30.973 5.817 1.00 20.00 C ATOM 670 CG ASP A 35 -23.676 -31.619 6.988 1.00 20.00 C ATOM 671 OD1 ASP A 35 -23.656 -31.035 8.090 1.00 20.00 O ATOM 672 OD2 ASP A 35 -24.244 -32.714 6.808 1.00 20.00 O ATOM 0 H ASP A 35 -21.442 -30.855 3.719 1.00 20.00 H new ATOM 0 HA ASP A 35 -20.984 -30.956 6.628 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -23.066 -29.890 5.893 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -23.464 -31.272 4.891 1.00 20.00 H new ATOM 677 N PRO A 36 -20.668 -33.420 6.753 1.00 20.00 N ATOM 678 CA PRO A 36 -20.448 -34.856 6.870 1.00 20.00 C ATOM 679 C PRO A 36 -21.514 -35.561 7.714 1.00 20.00 C ATOM 680 O PRO A 36 -21.289 -36.666 8.208 1.00 20.00 O ATOM 681 CB PRO A 36 -19.098 -34.905 7.575 1.00 20.00 C ATOM 682 CG PRO A 36 -19.113 -33.723 8.493 1.00 20.00 C ATOM 683 CD PRO A 36 -20.030 -32.693 7.866 1.00 20.00 C ATOM 0 HA PRO A 36 -20.488 -35.365 5.907 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -18.972 -35.836 8.128 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -18.275 -34.844 6.862 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -19.470 -34.007 9.483 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -18.108 -33.320 8.620 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -20.768 -32.327 8.580 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -19.473 -31.826 7.510 1.00 20.00 H new ATOM 691 N ARG A 37 -22.669 -34.935 7.874 1.00 20.00 N ATOM 692 CA ARG A 37 -23.721 -35.495 8.712 1.00 20.00 C ATOM 693 C ARG A 37 -24.644 -36.397 7.899 1.00 20.00 C ATOM 694 O ARG A 37 -24.992 -36.079 6.759 1.00 20.00 O ATOM 695 CB ARG A 37 -24.540 -34.381 9.364 1.00 20.00 C ATOM 696 CG ARG A 37 -23.727 -33.483 10.278 1.00 20.00 C ATOM 697 CD ARG A 37 -24.571 -32.346 10.826 1.00 20.00 C ATOM 698 NE ARG A 37 -25.624 -32.816 11.724 1.00 20.00 N ATOM 699 CZ ARG A 37 -26.650 -32.064 12.127 1.00 20.00 C ATOM 700 NH1 ARG A 37 -26.793 -30.825 11.661 1.00 20.00 N ATOM 701 NH2 ARG A 37 -27.542 -32.556 12.981 1.00 20.00 N ATOM 0 H ARG A 37 -22.903 -34.043 7.438 1.00 20.00 H new ATOM 0 HA ARG A 37 -23.243 -36.090 9.490 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -24.996 -33.773 8.583 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -25.353 -34.827 9.937 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -23.323 -34.070 11.103 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -22.877 -33.077 9.730 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -23.929 -31.645 11.359 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -25.021 -31.799 9.997 1.00 20.00 H new ATOM 0 HE ARG A 37 -25.571 -33.777 12.063 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -26.118 -30.450 10.995 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -27.578 -30.251 11.970 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -27.443 -33.510 13.329 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -28.326 -31.980 13.288 1.00 20.00 H new ATOM 715 N PRO A 38 -25.026 -37.554 8.461 1.00 20.00 N ATOM 716 CA PRO A 38 -26.008 -38.445 7.844 1.00 20.00 C ATOM 717 C PRO A 38 -27.401 -37.828 7.847 1.00 20.00 C ATOM 718 O PRO A 38 -28.109 -37.882 8.856 1.00 20.00 O ATOM 719 CB PRO A 38 -25.985 -39.704 8.724 1.00 20.00 C ATOM 720 CG PRO A 38 -24.773 -39.572 9.584 1.00 20.00 C ATOM 721 CD PRO A 38 -24.521 -38.099 9.730 1.00 20.00 C ATOM 0 HA PRO A 38 -25.769 -38.649 6.800 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -26.889 -39.776 9.329 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -25.937 -40.607 8.115 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -24.933 -40.038 10.556 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -23.917 -40.070 9.129 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -25.048 -37.682 10.588 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -23.462 -37.882 9.870 1.00 20.00 H new ATOM 729 N ALA A 39 -27.770 -37.231 6.715 1.00 20.00 N ATOM 730 CA ALA A 39 -29.067 -36.581 6.535 1.00 20.00 C ATOM 731 C ALA A 39 -29.223 -35.363 7.442 1.00 20.00 C ATOM 732 O ALA A 39 -29.424 -35.489 8.653 1.00 20.00 O ATOM 733 CB ALA A 39 -30.207 -37.567 6.759 1.00 20.00 C ATOM 0 H ALA A 39 -27.172 -37.184 5.890 1.00 20.00 H new ATOM 0 HA ALA A 39 -29.111 -36.230 5.504 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -31.161 -37.058 6.619 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -30.125 -38.387 6.045 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -30.152 -37.962 7.773 1.00 20.00 H new ATOM 739 N ILE A 40 -29.122 -34.183 6.849 1.00 20.00 N ATOM 740 CA ILE A 40 -29.359 -32.940 7.570 1.00 20.00 C ATOM 741 C ILE A 40 -30.820 -32.876 8.000 1.00 20.00 C ATOM 742 O ILE A 40 -31.715 -33.067 7.175 1.00 20.00 O ATOM 743 CB ILE A 40 -29.028 -31.707 6.699 1.00 20.00 C ATOM 744 CG1 ILE A 40 -27.556 -31.729 6.275 1.00 20.00 C ATOM 745 CG2 ILE A 40 -29.346 -30.418 7.446 1.00 20.00 C ATOM 746 CD1 ILE A 40 -27.166 -30.582 5.373 1.00 20.00 C ATOM 0 H ILE A 40 -28.877 -34.059 5.867 1.00 20.00 H new ATOM 0 HA ILE A 40 -28.706 -32.925 8.442 1.00 20.00 H new ATOM 0 HB ILE A 40 -29.648 -31.746 5.803 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -26.930 -31.707 7.167 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -27.349 -32.669 5.763 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -29.105 -29.563 6.815 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -30.406 -30.396 7.699 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -28.754 -30.372 8.360 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -26.110 -30.665 5.115 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -27.766 -30.614 4.463 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -27.340 -29.638 5.889 1.00 20.00 H new ATOM 758 N PRO A 41 -31.079 -32.648 9.302 1.00 20.00 N ATOM 759 CA PRO A 41 -32.441 -32.563 9.830 1.00 20.00 C ATOM 760 C PRO A 41 -33.307 -31.608 9.017 1.00 20.00 C ATOM 761 O PRO A 41 -33.031 -30.411 8.941 1.00 20.00 O ATOM 762 CB PRO A 41 -32.244 -32.023 11.247 1.00 20.00 C ATOM 763 CG PRO A 41 -30.861 -32.419 11.628 1.00 20.00 C ATOM 764 CD PRO A 41 -30.062 -32.469 10.354 1.00 20.00 C ATOM 0 HA PRO A 41 -32.954 -33.524 9.796 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -32.365 -30.940 11.276 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -32.978 -32.444 11.934 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -30.431 -31.702 12.327 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -30.859 -33.389 12.125 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -29.491 -31.553 10.205 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -29.348 -33.292 10.363 1.00 20.00 H new ATOM 772 N HIS A 42 -34.356 -32.145 8.411 1.00 20.00 N ATOM 773 CA HIS A 42 -35.215 -31.353 7.546 1.00 20.00 C ATOM 774 C HIS A 42 -36.374 -30.763 8.326 1.00 20.00 C ATOM 775 O HIS A 42 -36.981 -29.789 7.897 1.00 20.00 O ATOM 776 CB HIS A 42 -35.734 -32.191 6.372 1.00 20.00 C ATOM 777 CG HIS A 42 -34.638 -32.722 5.500 1.00 20.00 C ATOM 778 ND1 HIS A 42 -34.350 -34.063 5.385 1.00 20.00 N ATOM 779 CD2 HIS A 42 -33.741 -32.080 4.716 1.00 20.00 C ATOM 780 CE1 HIS A 42 -33.325 -34.223 4.572 1.00 20.00 C ATOM 781 NE2 HIS A 42 -32.935 -33.035 4.152 1.00 20.00 N ATOM 0 H HIS A 42 -34.631 -33.123 8.502 1.00 20.00 H new ATOM 0 HA HIS A 42 -34.618 -30.534 7.145 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -36.319 -33.025 6.759 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -36.408 -31.583 5.769 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -33.673 -31.013 4.563 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -32.880 -35.167 4.296 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -32.161 -32.856 3.513 1.00 20.00 H new ATOM 790 N ASP A 43 -36.663 -31.342 9.486 1.00 20.00 N ATOM 791 CA ASP A 43 -37.796 -30.903 10.302 1.00 20.00 C ATOM 792 C ASP A 43 -37.656 -29.444 10.714 1.00 20.00 C ATOM 793 O ASP A 43 -38.642 -28.702 10.748 1.00 20.00 O ATOM 794 CB ASP A 43 -37.958 -31.784 11.543 1.00 20.00 C ATOM 795 CG ASP A 43 -38.557 -33.136 11.220 1.00 20.00 C ATOM 796 OD1 ASP A 43 -37.866 -33.968 10.600 1.00 20.00 O ATOM 797 OD2 ASP A 43 -39.730 -33.373 11.581 1.00 20.00 O ATOM 0 H ASP A 43 -36.131 -32.116 9.885 1.00 20.00 H new ATOM 0 HA ASP A 43 -38.690 -31.000 9.686 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -36.985 -31.924 12.014 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -38.592 -31.273 12.267 1.00 20.00 H new ATOM 802 N GLU A 44 -36.431 -29.026 11.008 1.00 20.00 N ATOM 803 CA GLU A 44 -36.182 -27.645 11.398 1.00 20.00 C ATOM 804 C GLU A 44 -36.227 -26.719 10.181 1.00 20.00 C ATOM 805 O GLU A 44 -36.292 -25.498 10.320 1.00 20.00 O ATOM 806 CB GLU A 44 -34.843 -27.510 12.137 1.00 20.00 C ATOM 807 CG GLU A 44 -33.615 -27.816 11.292 1.00 20.00 C ATOM 808 CD GLU A 44 -32.326 -27.565 12.047 1.00 20.00 C ATOM 809 OE1 GLU A 44 -31.946 -26.386 12.206 1.00 20.00 O ATOM 810 OE2 GLU A 44 -31.692 -28.541 12.497 1.00 20.00 O ATOM 0 H GLU A 44 -35.601 -29.618 10.984 1.00 20.00 H new ATOM 0 HA GLU A 44 -36.974 -27.344 12.084 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -34.758 -26.494 12.523 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -34.850 -28.178 12.998 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -33.648 -28.856 10.969 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -33.633 -27.202 10.392 1.00 20.00 H new ATOM 817 N VAL A 45 -36.207 -27.307 8.992 1.00 20.00 N ATOM 818 CA VAL A 45 -36.327 -26.550 7.752 1.00 20.00 C ATOM 819 C VAL A 45 -37.795 -26.443 7.332 1.00 20.00 C ATOM 820 O VAL A 45 -38.288 -25.357 7.014 1.00 20.00 O ATOM 821 CB VAL A 45 -35.518 -27.204 6.612 1.00 20.00 C ATOM 822 CG1 VAL A 45 -35.593 -26.369 5.345 1.00 20.00 C ATOM 823 CG2 VAL A 45 -34.073 -27.413 7.030 1.00 20.00 C ATOM 0 H VAL A 45 -36.108 -28.314 8.860 1.00 20.00 H new ATOM 0 HA VAL A 45 -35.925 -25.554 7.937 1.00 20.00 H new ATOM 0 HB VAL A 45 -35.959 -28.179 6.402 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -35.015 -26.851 4.557 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -36.632 -26.279 5.029 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -35.186 -25.377 5.539 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -33.521 -27.875 6.212 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -33.622 -26.451 7.274 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -34.038 -28.063 7.904 1.00 20.00 H new ATOM 833 N GLU A 46 -38.482 -27.584 7.351 1.00 20.00 N ATOM 834 CA GLU A 46 -39.892 -27.666 6.952 1.00 20.00 C ATOM 835 C GLU A 46 -40.748 -26.672 7.730 1.00 20.00 C ATOM 836 O GLU A 46 -41.682 -26.081 7.182 1.00 20.00 O ATOM 837 CB GLU A 46 -40.443 -29.081 7.176 1.00 20.00 C ATOM 838 CG GLU A 46 -39.634 -30.184 6.508 1.00 20.00 C ATOM 839 CD GLU A 46 -39.626 -30.081 4.998 1.00 20.00 C ATOM 840 OE1 GLU A 46 -40.683 -30.331 4.379 1.00 20.00 O ATOM 841 OE2 GLU A 46 -38.564 -29.771 4.418 1.00 20.00 O ATOM 0 H GLU A 46 -38.082 -28.476 7.642 1.00 20.00 H new ATOM 0 HA GLU A 46 -39.938 -27.421 5.891 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -40.485 -29.276 8.248 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -41.467 -29.122 6.804 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -38.608 -30.147 6.874 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -40.042 -31.152 6.798 1.00 20.00 H new ATOM 848 N ARG A 47 -40.418 -26.491 9.006 1.00 20.00 N ATOM 849 CA ARG A 47 -41.156 -25.576 9.876 1.00 20.00 C ATOM 850 C ARG A 47 -41.130 -24.150 9.326 1.00 20.00 C ATOM 851 O ARG A 47 -42.093 -23.400 9.472 1.00 20.00 O ATOM 852 CB ARG A 47 -40.573 -25.596 11.295 1.00 20.00 C ATOM 853 CG ARG A 47 -39.141 -25.093 11.361 1.00 20.00 C ATOM 854 CD ARG A 47 -38.621 -25.005 12.786 1.00 20.00 C ATOM 855 NE ARG A 47 -37.239 -24.525 12.820 1.00 20.00 N ATOM 856 CZ ARG A 47 -36.687 -23.900 13.858 1.00 20.00 C ATOM 857 NH1 ARG A 47 -37.395 -23.669 14.956 1.00 20.00 N ATOM 858 NH2 ARG A 47 -35.424 -23.501 13.793 1.00 20.00 N ATOM 0 H ARG A 47 -39.641 -26.968 9.463 1.00 20.00 H new ATOM 0 HA ARG A 47 -42.192 -25.914 9.910 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -41.197 -24.983 11.946 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -40.612 -26.614 11.682 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -38.499 -25.758 10.784 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -39.083 -24.109 10.895 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -39.255 -24.335 13.366 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -38.679 -25.986 13.258 1.00 20.00 H new ATOM 0 HE ARG A 47 -36.661 -24.679 11.994 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -38.368 -23.971 15.008 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -36.966 -23.190 15.748 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -34.878 -23.673 12.949 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -34.999 -23.022 14.587 1.00 20.00 H new ATOM 872 N ARG A 48 -40.030 -23.785 8.676 1.00 20.00 N ATOM 873 CA ARG A 48 -39.884 -22.446 8.133 1.00 20.00 C ATOM 874 C ARG A 48 -40.580 -22.353 6.785 1.00 20.00 C ATOM 875 O ARG A 48 -41.286 -21.384 6.504 1.00 20.00 O ATOM 876 CB ARG A 48 -38.407 -22.075 7.980 1.00 20.00 C ATOM 877 CG ARG A 48 -37.603 -22.160 9.270 1.00 20.00 C ATOM 878 CD ARG A 48 -36.223 -21.544 9.094 1.00 20.00 C ATOM 879 NE ARG A 48 -36.311 -20.129 8.736 1.00 20.00 N ATOM 880 CZ ARG A 48 -35.661 -19.566 7.718 1.00 20.00 C ATOM 881 NH1 ARG A 48 -34.842 -20.286 6.954 1.00 20.00 N ATOM 882 NH2 ARG A 48 -35.832 -18.276 7.465 1.00 20.00 N ATOM 0 H ARG A 48 -39.231 -24.398 8.514 1.00 20.00 H new ATOM 0 HA ARG A 48 -40.345 -21.745 8.828 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -37.954 -22.734 7.239 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -38.338 -21.060 7.589 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -38.136 -21.645 10.069 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -37.504 -23.202 9.573 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -35.654 -21.652 10.018 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -35.678 -22.084 8.319 1.00 20.00 H new ATOM 0 HE ARG A 48 -36.911 -19.532 9.305 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -34.707 -21.279 7.145 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -34.350 -19.845 6.177 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -36.458 -17.721 8.048 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -35.337 -17.839 6.687 1.00 20.00 H new ATOM 896 N MET A 49 -40.394 -23.381 5.962 1.00 20.00 N ATOM 897 CA MET A 49 -40.992 -23.419 4.630 1.00 20.00 C ATOM 898 C MET A 49 -42.510 -23.382 4.710 1.00 20.00 C ATOM 899 O MET A 49 -43.169 -22.888 3.797 1.00 20.00 O ATOM 900 CB MET A 49 -40.544 -24.657 3.852 1.00 20.00 C ATOM 901 CG MET A 49 -39.131 -24.561 3.304 1.00 20.00 C ATOM 902 SD MET A 49 -38.667 -26.008 2.334 1.00 20.00 S ATOM 903 CE MET A 49 -36.989 -25.586 1.870 1.00 20.00 C ATOM 0 H MET A 49 -39.833 -24.201 6.194 1.00 20.00 H new ATOM 0 HA MET A 49 -40.647 -22.533 4.098 1.00 20.00 H new ATOM 0 HB2 MET A 49 -40.612 -25.528 4.504 1.00 20.00 H new ATOM 0 HB3 MET A 49 -41.234 -24.823 3.024 1.00 20.00 H new ATOM 0 HG2 MET A 49 -39.045 -23.669 2.684 1.00 20.00 H new ATOM 0 HG3 MET A 49 -38.431 -24.442 4.131 1.00 20.00 H new ATOM 0 HE1 MET A 49 -36.554 -26.403 1.294 1.00 20.00 H new ATOM 0 HE2 MET A 49 -36.996 -24.679 1.265 1.00 20.00 H new ATOM 0 HE3 MET A 49 -36.394 -25.418 2.768 1.00 20.00 H new ATOM 913 N ALA A 50 -43.055 -23.895 5.807 1.00 20.00 N ATOM 914 CA ALA A 50 -44.494 -23.878 6.038 1.00 20.00 C ATOM 915 C ALA A 50 -45.049 -22.460 5.940 1.00 20.00 C ATOM 916 O ALA A 50 -46.060 -22.221 5.281 1.00 20.00 O ATOM 917 CB ALA A 50 -44.813 -24.476 7.397 1.00 20.00 C ATOM 0 H ALA A 50 -42.517 -24.331 6.556 1.00 20.00 H new ATOM 0 HA ALA A 50 -44.970 -24.481 5.265 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -45.891 -24.458 7.559 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -44.458 -25.506 7.434 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -44.320 -23.894 8.175 1.00 20.00 H new ATOM 923 N GLU A 51 -44.363 -21.520 6.574 1.00 20.00 N ATOM 924 CA GLU A 51 -44.791 -20.129 6.568 1.00 20.00 C ATOM 925 C GLU A 51 -44.411 -19.457 5.252 1.00 20.00 C ATOM 926 O GLU A 51 -45.018 -18.464 4.846 1.00 20.00 O ATOM 927 CB GLU A 51 -44.166 -19.372 7.744 1.00 20.00 C ATOM 928 CG GLU A 51 -44.565 -19.911 9.111 1.00 20.00 C ATOM 929 CD GLU A 51 -46.061 -19.875 9.347 1.00 20.00 C ATOM 930 OE1 GLU A 51 -46.588 -18.803 9.714 1.00 20.00 O ATOM 931 OE2 GLU A 51 -46.722 -20.917 9.167 1.00 20.00 O ATOM 0 H GLU A 51 -43.507 -21.696 7.100 1.00 20.00 H new ATOM 0 HA GLU A 51 -45.876 -20.105 6.671 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -43.081 -19.411 7.652 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -44.453 -18.322 7.681 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -44.212 -20.938 9.208 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -44.066 -19.328 9.885 1.00 20.00 H new ATOM 938 N ARG A 52 -43.418 -20.018 4.577 1.00 20.00 N ATOM 939 CA ARG A 52 -42.930 -19.453 3.327 1.00 20.00 C ATOM 940 C ARG A 52 -43.844 -19.830 2.166 1.00 20.00 C ATOM 941 O ARG A 52 -43.830 -19.175 1.126 1.00 20.00 O ATOM 942 CB ARG A 52 -41.501 -19.924 3.030 1.00 20.00 C ATOM 943 CG ARG A 52 -40.484 -19.569 4.110 1.00 20.00 C ATOM 944 CD ARG A 52 -40.391 -18.068 4.341 1.00 20.00 C ATOM 945 NE ARG A 52 -39.861 -17.356 3.180 1.00 20.00 N ATOM 946 CZ ARG A 52 -39.609 -16.048 3.167 1.00 20.00 C ATOM 947 NH1 ARG A 52 -39.847 -15.310 4.245 1.00 20.00 N ATOM 948 NH2 ARG A 52 -39.112 -15.479 2.079 1.00 20.00 N ATOM 0 H ARG A 52 -42.934 -20.865 4.874 1.00 20.00 H new ATOM 0 HA ARG A 52 -42.927 -18.369 3.438 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -41.508 -21.006 2.896 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -41.177 -19.488 2.085 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -40.760 -20.062 5.042 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -39.504 -19.952 3.824 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -41.380 -17.679 4.582 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -39.754 -17.875 5.204 1.00 20.00 H new ATOM 0 HE ARG A 52 -39.673 -17.891 2.332 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -40.224 -15.744 5.087 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -39.653 -14.309 4.231 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.922 -16.042 1.250 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -38.919 -14.477 2.070 1.00 20.00 H new ATOM 962 N PHE A 53 -44.642 -20.884 2.350 1.00 20.00 N ATOM 963 CA PHE A 53 -45.561 -21.346 1.312 1.00 20.00 C ATOM 964 C PHE A 53 -46.531 -20.249 0.895 1.00 20.00 C ATOM 965 O PHE A 53 -46.953 -20.194 -0.260 1.00 20.00 O ATOM 966 CB PHE A 53 -46.345 -22.577 1.776 1.00 20.00 C ATOM 967 CG PHE A 53 -45.531 -23.840 1.827 1.00 20.00 C ATOM 968 CD1 PHE A 53 -44.624 -24.140 0.822 1.00 20.00 C ATOM 969 CD2 PHE A 53 -45.671 -24.726 2.883 1.00 20.00 C ATOM 970 CE1 PHE A 53 -43.874 -25.300 0.869 1.00 20.00 C ATOM 971 CE2 PHE A 53 -44.923 -25.887 2.935 1.00 20.00 C ATOM 972 CZ PHE A 53 -44.024 -26.173 1.928 1.00 20.00 C ATOM 0 H PHE A 53 -44.669 -21.433 3.209 1.00 20.00 H new ATOM 0 HA PHE A 53 -44.954 -21.618 0.449 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -46.755 -22.381 2.767 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -47.191 -22.730 1.106 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -44.502 -23.459 -0.007 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -46.373 -24.507 3.674 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -43.172 -25.523 0.079 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -45.042 -26.570 3.763 1.00 20.00 H new ATOM 0 HZ PHE A 53 -43.438 -27.079 1.968 1.00 20.00 H new ATOM 982 N ALA A 54 -46.868 -19.373 1.832 1.00 20.00 N ATOM 983 CA ALA A 54 -47.746 -18.248 1.548 1.00 20.00 C ATOM 984 C ALA A 54 -47.134 -17.346 0.486 1.00 20.00 C ATOM 985 O ALA A 54 -47.813 -16.900 -0.439 1.00 20.00 O ATOM 986 CB ALA A 54 -48.016 -17.462 2.820 1.00 20.00 C ATOM 0 H ALA A 54 -46.545 -19.421 2.798 1.00 20.00 H new ATOM 0 HA ALA A 54 -48.692 -18.633 1.166 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -48.674 -16.622 2.596 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -48.493 -18.111 3.554 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -47.075 -17.088 3.223 1.00 20.00 H new ATOM 992 N LYS A 55 -45.835 -17.115 0.609 1.00 20.00 N ATOM 993 CA LYS A 55 -45.107 -16.257 -0.313 1.00 20.00 C ATOM 994 C LYS A 55 -44.824 -16.995 -1.620 1.00 20.00 C ATOM 995 O LYS A 55 -44.581 -16.381 -2.654 1.00 20.00 O ATOM 996 CB LYS A 55 -43.801 -15.790 0.338 1.00 20.00 C ATOM 997 CG LYS A 55 -42.975 -14.847 -0.523 1.00 20.00 C ATOM 998 CD LYS A 55 -41.738 -14.377 0.215 1.00 20.00 C ATOM 999 CE LYS A 55 -40.859 -13.496 -0.659 1.00 20.00 C ATOM 1000 NZ LYS A 55 -41.540 -12.235 -1.053 1.00 20.00 N ATOM 0 H LYS A 55 -45.258 -17.516 1.348 1.00 20.00 H new ATOM 0 HA LYS A 55 -45.718 -15.384 -0.544 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -44.035 -15.293 1.279 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -43.197 -16.664 0.581 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -42.683 -15.352 -1.444 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -43.580 -13.987 -0.809 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -42.035 -13.824 1.106 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -41.166 -15.241 0.552 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -39.940 -13.258 -0.123 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -40.572 -14.047 -1.555 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -40.866 -11.616 -1.546 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -42.336 -12.453 -1.686 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -41.896 -11.752 -0.203 1.00 20.00 H new ATOM 1014 N MET A 56 -44.887 -18.322 -1.564 1.00 20.00 N ATOM 1015 CA MET A 56 -44.643 -19.156 -2.738 1.00 20.00 C ATOM 1016 C MET A 56 -45.783 -19.024 -3.743 1.00 20.00 C ATOM 1017 O MET A 56 -45.627 -19.359 -4.919 1.00 20.00 O ATOM 1018 CB MET A 56 -44.467 -20.623 -2.341 1.00 20.00 C ATOM 1019 CG MET A 56 -43.278 -20.874 -1.428 1.00 20.00 C ATOM 1020 SD MET A 56 -41.713 -20.357 -2.158 1.00 20.00 S ATOM 1021 CE MET A 56 -40.581 -20.762 -0.830 1.00 20.00 C ATOM 0 H MET A 56 -45.106 -18.845 -0.716 1.00 20.00 H new ATOM 0 HA MET A 56 -43.721 -18.808 -3.204 1.00 20.00 H new ATOM 0 HB2 MET A 56 -45.374 -20.966 -1.843 1.00 20.00 H new ATOM 0 HB3 MET A 56 -44.353 -21.223 -3.244 1.00 20.00 H new ATOM 0 HG2 MET A 56 -43.429 -20.342 -0.489 1.00 20.00 H new ATOM 0 HG3 MET A 56 -43.228 -21.936 -1.188 1.00 20.00 H new ATOM 0 HE1 MET A 56 -39.581 -20.913 -1.237 1.00 20.00 H new ATOM 0 HE2 MET A 56 -40.559 -19.945 -0.109 1.00 20.00 H new ATOM 0 HE3 MET A 56 -40.913 -21.675 -0.335 1.00 20.00 H new ATOM 1031 N ARG A 57 -46.930 -18.542 -3.271 1.00 20.00 N ATOM 1032 CA ARG A 57 -48.053 -18.238 -4.155 1.00 20.00 C ATOM 1033 C ARG A 57 -47.671 -17.105 -5.096 1.00 20.00 C ATOM 1034 O ARG A 57 -48.160 -17.021 -6.224 1.00 20.00 O ATOM 1035 CB ARG A 57 -49.304 -17.851 -3.355 1.00 20.00 C ATOM 1036 CG ARG A 57 -50.190 -19.025 -2.960 1.00 20.00 C ATOM 1037 CD ARG A 57 -49.493 -19.986 -2.008 1.00 20.00 C ATOM 1038 NE ARG A 57 -50.364 -21.091 -1.616 1.00 20.00 N ATOM 1039 CZ ARG A 57 -49.925 -22.285 -1.220 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -48.622 -22.543 -1.187 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -50.789 -23.226 -0.867 1.00 20.00 N ATOM 0 H ARG A 57 -47.106 -18.354 -2.284 1.00 20.00 H new ATOM 0 HA ARG A 57 -48.285 -19.133 -4.732 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -48.994 -17.326 -2.451 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -49.894 -17.149 -3.945 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -51.099 -18.648 -2.490 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -50.495 -19.564 -3.857 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -48.596 -20.382 -2.484 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -49.170 -19.445 -1.119 1.00 20.00 H new ATOM 0 HE ARG A 57 -51.372 -20.939 -1.647 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -47.953 -21.825 -1.466 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -48.291 -23.459 -0.883 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -51.791 -23.036 -0.898 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -50.452 -24.140 -0.564 1.00 20.00 H new ATOM 1055 N LYS A 58 -46.785 -16.245 -4.619 1.00 20.00 N ATOM 1056 CA LYS A 58 -46.246 -15.172 -5.430 1.00 20.00 C ATOM 1057 C LYS A 58 -45.128 -15.726 -6.300 1.00 20.00 C ATOM 1058 O LYS A 58 -44.496 -16.724 -5.949 1.00 20.00 O ATOM 1059 CB LYS A 58 -45.708 -14.042 -4.543 1.00 20.00 C ATOM 1060 CG LYS A 58 -46.728 -13.481 -3.562 1.00 20.00 C ATOM 1061 CD LYS A 58 -47.940 -12.886 -4.269 1.00 20.00 C ATOM 1062 CE LYS A 58 -47.569 -11.687 -5.133 1.00 20.00 C ATOM 1063 NZ LYS A 58 -46.955 -10.590 -4.335 1.00 20.00 N ATOM 0 H LYS A 58 -46.423 -16.273 -3.666 1.00 20.00 H new ATOM 0 HA LYS A 58 -47.038 -14.764 -6.058 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -44.848 -14.412 -3.984 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -45.350 -13.233 -5.181 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -47.055 -14.273 -2.888 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -46.255 -12.715 -2.948 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -48.407 -13.650 -4.891 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -48.679 -12.583 -3.527 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -46.873 -12.002 -5.910 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -48.461 -11.313 -5.636 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -46.921 -9.722 -4.907 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -47.525 -10.420 -3.482 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -45.990 -10.860 -4.058 1.00 20.00 H new ATOM 1077 N GLU A 59 -44.877 -15.083 -7.423 1.00 20.00 N ATOM 1078 CA GLU A 59 -43.869 -15.558 -8.357 1.00 20.00 C ATOM 1079 C GLU A 59 -42.505 -14.972 -8.015 1.00 20.00 C ATOM 1080 O GLU A 59 -41.817 -14.407 -8.869 1.00 20.00 O ATOM 1081 CB GLU A 59 -44.279 -15.206 -9.783 1.00 20.00 C ATOM 1082 CG GLU A 59 -45.575 -15.878 -10.203 1.00 20.00 C ATOM 1083 CD GLU A 59 -46.069 -15.404 -11.547 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -45.633 -15.964 -12.569 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -46.900 -14.475 -11.586 1.00 20.00 O ATOM 0 H GLU A 59 -45.356 -14.230 -7.713 1.00 20.00 H new ATOM 0 HA GLU A 59 -43.792 -16.642 -8.278 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -44.391 -14.125 -9.868 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -43.484 -15.499 -10.468 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -45.426 -16.957 -10.236 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -46.340 -15.685 -9.451 1.00 20.00 H new ATOM 1092 N ARG A 60 -42.132 -15.113 -6.754 1.00 20.00 N ATOM 1093 CA ARG A 60 -40.864 -14.616 -6.249 1.00 20.00 C ATOM 1094 C ARG A 60 -40.531 -15.336 -4.948 1.00 20.00 C ATOM 1095 O ARG A 60 -41.420 -15.596 -4.136 1.00 20.00 O ATOM 1096 CB ARG A 60 -40.945 -13.105 -6.012 1.00 20.00 C ATOM 1097 CG ARG A 60 -39.636 -12.482 -5.558 1.00 20.00 C ATOM 1098 CD ARG A 60 -39.789 -10.995 -5.282 1.00 20.00 C ATOM 1099 NE ARG A 60 -38.522 -10.383 -4.885 1.00 20.00 N ATOM 1100 CZ ARG A 60 -38.425 -9.233 -4.221 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -39.518 -8.587 -3.836 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -37.230 -8.734 -3.934 1.00 20.00 N ATOM 0 H ARG A 60 -42.704 -15.578 -6.049 1.00 20.00 H new ATOM 0 HA ARG A 60 -40.080 -14.807 -6.982 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -41.267 -12.619 -6.933 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -41.710 -12.905 -5.262 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -39.286 -12.986 -4.657 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -38.875 -12.634 -6.324 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -40.169 -10.497 -6.174 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -40.527 -10.846 -4.494 1.00 20.00 H new ATOM 0 HE ARG A 60 -37.659 -10.867 -5.132 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -40.439 -8.971 -4.048 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -39.438 -7.706 -3.328 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -36.387 -9.231 -4.222 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -37.154 -7.853 -3.425 1.00 20.00 H new ATOM 1116 N SER A 61 -39.268 -15.671 -4.753 1.00 20.00 N ATOM 1117 CA SER A 61 -38.858 -16.386 -3.556 1.00 20.00 C ATOM 1118 C SER A 61 -37.493 -15.893 -3.088 1.00 20.00 C ATOM 1119 O SER A 61 -36.880 -15.042 -3.734 1.00 20.00 O ATOM 1120 CB SER A 61 -38.828 -17.898 -3.819 1.00 20.00 C ATOM 1121 OG SER A 61 -38.624 -18.632 -2.619 1.00 20.00 O ATOM 0 H SER A 61 -38.511 -15.461 -5.404 1.00 20.00 H new ATOM 0 HA SER A 61 -39.584 -16.191 -2.766 1.00 20.00 H new ATOM 0 HB2 SER A 61 -39.766 -18.207 -4.280 1.00 20.00 H new ATOM 0 HB3 SER A 61 -38.033 -18.129 -4.528 1.00 20.00 H new ATOM 0 HG SER A 61 -38.452 -19.572 -2.836 1.00 20.00 H new ATOM 1127 N LYS A 62 -37.035 -16.425 -1.965 1.00 20.00 N ATOM 1128 CA LYS A 62 -35.763 -16.034 -1.382 1.00 20.00 C ATOM 1129 C LYS A 62 -35.246 -17.148 -0.475 1.00 20.00 C ATOM 1130 O LYS A 62 -35.932 -17.549 0.471 1.00 20.00 O ATOM 1131 CB LYS A 62 -35.925 -14.738 -0.578 1.00 20.00 C ATOM 1132 CG LYS A 62 -34.625 -14.227 0.023 1.00 20.00 C ATOM 1133 CD LYS A 62 -34.863 -13.030 0.929 1.00 20.00 C ATOM 1134 CE LYS A 62 -33.567 -12.535 1.558 1.00 20.00 C ATOM 1135 NZ LYS A 62 -33.800 -11.406 2.495 1.00 20.00 N ATOM 0 H LYS A 62 -37.534 -17.138 -1.434 1.00 20.00 H new ATOM 0 HA LYS A 62 -35.045 -15.862 -2.184 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -36.343 -13.968 -1.226 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -36.645 -14.905 0.223 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -34.147 -15.025 0.591 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -33.938 -13.949 -0.776 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -35.320 -12.224 0.355 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -35.568 -13.302 1.714 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -33.086 -13.355 2.091 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -32.880 -12.219 0.773 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -32.893 -11.099 2.901 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -34.236 -10.613 1.982 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -34.435 -11.714 3.259 1.00 20.00 H new ATOM 1149 N GLN A 63 -34.054 -17.653 -0.771 1.00 20.00 N ATOM 1150 CA GLN A 63 -33.438 -18.701 0.034 1.00 20.00 C ATOM 1151 C GLN A 63 -31.955 -18.815 -0.305 1.00 20.00 C ATOM 1152 O GLN A 63 -31.141 -18.118 0.336 1.00 20.00 O ATOM 1153 CB GLN A 63 -34.132 -20.048 -0.199 1.00 20.00 C ATOM 1154 CG GLN A 63 -33.640 -21.154 0.720 1.00 20.00 C ATOM 1155 CD GLN A 63 -34.251 -22.504 0.397 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -35.379 -22.592 -0.088 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -33.508 -23.566 0.665 1.00 20.00 N ATOM 1158 OXT GLN A 63 -31.606 -19.588 -1.218 1.00 20.00 O ATOM 0 H GLN A 63 -33.492 -17.352 -1.567 1.00 20.00 H new ATOM 0 HA GLN A 63 -33.548 -18.435 1.085 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -35.206 -19.923 -0.060 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -33.978 -20.352 -1.234 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -32.555 -21.225 0.647 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -33.873 -20.893 1.752 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -32.578 -23.449 1.067 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -33.866 -24.501 0.470 1.00 20.00 H new TER 1167 GLN A 63