USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 944 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 37 CYS SG : rot 120:sc= 0.821 USER MOD Set 1.2: A 43 THR OG1 : rot -90:sc= 0.356 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0631 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 35:sc= 0.488 USER MOD Single : A 12 LYS NZ :NH3+ -120:sc= -1.63! (180deg=-4.38!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= -0.0889 (180deg=-1.26) USER MOD Single : A 33 ASN : amide:sc= -1.36 K(o=-1.4,f=-2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00682 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.803 USER MOD Single : A 44 GLN : amide:sc= -0.38 K(o=-0.38,f=-2.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.57 K(o=-1.6,f=-6.6!) USER MOD Single : A 54 ASN : amide:sc= -0.365 K(o=-0.36,f=-3.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.1!) USER MOD Single : A 60 HIS : no HE2:sc= -5.04! C(o=-5!,f=-6.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00686 USER MOD Single : A 64 CYS SG : rot 180:sc= -0.583 USER MOD Single : A 68 SER OG : rot 180:sc= -0.064 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.666 K(o=-0.67,f=-4.2!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -126:sc= -1.15 (180deg=-3.52!) USER MOD Single : A 83 GLN : amide:sc= -2.09! K(o=-2.1!,f=-0.23) USER MOD Single : A 91 GLN : amide:sc= -6.08! K(o=-6.1!,f=-1.6) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.784 K(o=-0.78,f=-4.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot -130:sc= -0.974 USER MOD Single : A 106 THR OG1 : rot 122:sc= 0.237 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl -162:sc= -0.105 (180deg=-0.654) USER MOD Single : A 122 ASN : amide:sc= -2.29 K(o=-2.3,f=-0.93!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.392 -49.319 -3.657 1.00 0.00 N ATOM 2 CA GLY A 1 -17.706 -48.109 -4.394 1.00 0.00 C ATOM 3 C GLY A 1 -18.171 -48.396 -5.808 1.00 0.00 C ATOM 4 O GLY A 1 -17.893 -49.463 -6.356 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.116 -49.479 -2.928 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.373 -50.128 -4.310 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.461 -49.218 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.482 -47.556 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.825 -47.469 -4.428 1.00 0.00 H new ATOM 8 N SER A 2 -18.883 -47.442 -6.400 1.00 0.00 N ATOM 9 CA SER A 2 -19.393 -47.599 -7.757 1.00 0.00 C ATOM 10 C SER A 2 -18.904 -46.468 -8.656 1.00 0.00 C ATOM 11 O SER A 2 -18.955 -45.296 -8.281 1.00 0.00 O ATOM 12 CB SER A 2 -20.922 -47.635 -7.748 1.00 0.00 C ATOM 13 OG SER A 2 -21.403 -48.670 -6.908 1.00 0.00 O ATOM 0 H SER A 2 -19.120 -46.552 -5.961 1.00 0.00 H new ATOM 0 HA SER A 2 -19.017 -48.542 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.309 -46.675 -7.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.291 -47.785 -8.763 1.00 0.00 H new ATOM 0 HG SER A 2 -22.383 -48.671 -6.918 1.00 0.00 H new ATOM 19 N SER A 3 -18.431 -46.827 -9.845 1.00 0.00 N ATOM 20 CA SER A 3 -17.929 -45.843 -10.797 1.00 0.00 C ATOM 21 C SER A 3 -18.704 -45.913 -12.109 1.00 0.00 C ATOM 22 O SER A 3 -19.183 -46.975 -12.504 1.00 0.00 O ATOM 23 CB SER A 3 -16.439 -46.069 -11.059 1.00 0.00 C ATOM 24 OG SER A 3 -15.664 -45.727 -9.923 1.00 0.00 O ATOM 0 H SER A 3 -18.385 -47.792 -10.172 1.00 0.00 H new ATOM 0 HA SER A 3 -18.068 -44.852 -10.365 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.267 -47.113 -11.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.122 -45.471 -11.913 1.00 0.00 H new ATOM 0 HG SER A 3 -14.716 -45.882 -10.115 1.00 0.00 H new ATOM 30 N GLY A 4 -18.822 -44.772 -12.781 1.00 0.00 N ATOM 31 CA GLY A 4 -19.539 -44.724 -14.042 1.00 0.00 C ATOM 32 C GLY A 4 -18.638 -44.984 -15.232 1.00 0.00 C ATOM 33 O GLY A 4 -17.417 -44.864 -15.132 1.00 0.00 O ATOM 0 H GLY A 4 -18.434 -43.880 -12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.340 -45.463 -14.029 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.008 -43.746 -14.152 1.00 0.00 H new ATOM 37 N SER A 5 -19.240 -45.342 -16.361 1.00 0.00 N ATOM 38 CA SER A 5 -18.482 -45.626 -17.575 1.00 0.00 C ATOM 39 C SER A 5 -17.789 -44.368 -18.088 1.00 0.00 C ATOM 40 O SER A 5 -18.045 -43.264 -17.608 1.00 0.00 O ATOM 41 CB SER A 5 -19.405 -46.191 -18.657 1.00 0.00 C ATOM 42 OG SER A 5 -20.468 -45.297 -18.939 1.00 0.00 O ATOM 0 H SER A 5 -20.250 -45.442 -16.461 1.00 0.00 H new ATOM 0 HA SER A 5 -17.720 -46.367 -17.334 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.833 -46.379 -19.566 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.809 -47.149 -18.331 1.00 0.00 H new ATOM 0 HG SER A 5 -21.042 -45.680 -19.635 1.00 0.00 H new ATOM 48 N SER A 6 -16.908 -44.543 -19.069 1.00 0.00 N ATOM 49 CA SER A 6 -16.173 -43.424 -19.646 1.00 0.00 C ATOM 50 C SER A 6 -17.120 -42.464 -20.360 1.00 0.00 C ATOM 51 O SER A 6 -18.247 -42.822 -20.697 1.00 0.00 O ATOM 52 CB SER A 6 -15.111 -43.932 -20.623 1.00 0.00 C ATOM 53 OG SER A 6 -14.002 -44.478 -19.931 1.00 0.00 O ATOM 0 H SER A 6 -16.686 -45.450 -19.480 1.00 0.00 H new ATOM 0 HA SER A 6 -15.681 -42.887 -18.835 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.545 -44.689 -21.276 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.778 -43.114 -21.261 1.00 0.00 H new ATOM 0 HG SER A 6 -13.338 -44.797 -20.577 1.00 0.00 H new ATOM 59 N GLY A 7 -16.651 -41.240 -20.588 1.00 0.00 N ATOM 60 CA GLY A 7 -17.467 -40.247 -21.261 1.00 0.00 C ATOM 61 C GLY A 7 -17.020 -38.830 -20.961 1.00 0.00 C ATOM 62 O GLY A 7 -17.094 -38.375 -19.819 1.00 0.00 O ATOM 0 H GLY A 7 -15.721 -40.919 -20.318 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.427 -40.417 -22.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.507 -40.369 -20.957 1.00 0.00 H new ATOM 66 N THR A 8 -16.552 -38.128 -21.989 1.00 0.00 N ATOM 67 CA THR A 8 -16.089 -36.756 -21.830 1.00 0.00 C ATOM 68 C THR A 8 -17.051 -35.771 -22.483 1.00 0.00 C ATOM 69 O THR A 8 -17.210 -35.761 -23.703 1.00 0.00 O ATOM 70 CB THR A 8 -14.685 -36.563 -22.436 1.00 0.00 C ATOM 71 OG1 THR A 8 -14.683 -36.976 -23.807 1.00 0.00 O ATOM 72 CG2 THR A 8 -13.647 -37.358 -21.659 1.00 0.00 C ATOM 0 H THR A 8 -16.484 -38.488 -22.941 1.00 0.00 H new ATOM 0 HA THR A 8 -16.045 -36.560 -20.759 1.00 0.00 H new ATOM 0 HB THR A 8 -14.429 -35.505 -22.376 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.550 -36.767 -24.213 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.664 -37.206 -22.105 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.631 -37.021 -20.623 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.901 -38.418 -21.692 1.00 0.00 H new ATOM 80 N GLU A 9 -17.691 -34.943 -21.663 1.00 0.00 N ATOM 81 CA GLU A 9 -18.639 -33.954 -22.163 1.00 0.00 C ATOM 82 C GLU A 9 -17.914 -32.827 -22.894 1.00 0.00 C ATOM 83 O GLU A 9 -16.703 -32.660 -22.754 1.00 0.00 O ATOM 84 CB GLU A 9 -19.466 -33.380 -21.011 1.00 0.00 C ATOM 85 CG GLU A 9 -20.649 -34.249 -20.619 1.00 0.00 C ATOM 86 CD GLU A 9 -20.270 -35.345 -19.642 1.00 0.00 C ATOM 87 OE1 GLU A 9 -19.587 -36.303 -20.060 1.00 0.00 O ATOM 88 OE2 GLU A 9 -20.657 -35.243 -18.459 1.00 0.00 O ATOM 0 H GLU A 9 -17.570 -34.937 -20.650 1.00 0.00 H new ATOM 0 HA GLU A 9 -19.306 -34.451 -22.867 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.821 -33.247 -20.143 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -19.829 -32.392 -21.293 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -21.423 -33.623 -20.175 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -21.077 -34.698 -21.515 1.00 0.00 H new ATOM 95 N ARG A 10 -18.665 -32.058 -23.675 1.00 0.00 N ATOM 96 CA ARG A 10 -18.095 -30.948 -24.430 1.00 0.00 C ATOM 97 C ARG A 10 -19.010 -29.728 -24.377 1.00 0.00 C ATOM 98 O ARG A 10 -20.234 -29.857 -24.391 1.00 0.00 O ATOM 99 CB ARG A 10 -17.860 -31.360 -25.884 1.00 0.00 C ATOM 100 CG ARG A 10 -16.918 -32.543 -26.037 1.00 0.00 C ATOM 101 CD ARG A 10 -16.922 -33.078 -27.460 1.00 0.00 C ATOM 102 NE ARG A 10 -15.670 -33.749 -27.796 1.00 0.00 N ATOM 103 CZ ARG A 10 -15.563 -34.678 -28.741 1.00 0.00 C ATOM 104 NH1 ARG A 10 -16.630 -35.043 -29.439 1.00 0.00 N ATOM 105 NH2 ARG A 10 -14.389 -35.243 -28.988 1.00 0.00 N ATOM 0 H ARG A 10 -19.669 -32.183 -23.802 1.00 0.00 H new ATOM 0 HA ARG A 10 -17.140 -30.684 -23.975 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.818 -31.607 -26.342 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.454 -30.510 -26.433 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.907 -32.242 -25.763 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.212 -33.335 -25.349 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.751 -33.775 -27.583 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.091 -32.256 -28.156 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.831 -33.491 -27.277 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.535 -34.611 -29.251 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.546 -35.756 -30.164 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.567 -34.965 -28.453 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.308 -35.956 -29.713 1.00 0.00 H new ATOM 119 N GLU A 11 -18.407 -28.545 -24.316 1.00 0.00 N ATOM 120 CA GLU A 11 -19.169 -27.302 -24.260 1.00 0.00 C ATOM 121 C GLU A 11 -20.058 -27.264 -23.021 1.00 0.00 C ATOM 122 O GLU A 11 -21.143 -26.682 -23.038 1.00 0.00 O ATOM 123 CB GLU A 11 -20.023 -27.145 -25.520 1.00 0.00 C ATOM 124 CG GLU A 11 -20.502 -25.722 -25.756 1.00 0.00 C ATOM 125 CD GLU A 11 -20.761 -25.430 -27.221 1.00 0.00 C ATOM 126 OE1 GLU A 11 -19.847 -25.653 -28.042 1.00 0.00 O ATOM 127 OE2 GLU A 11 -21.879 -24.978 -27.547 1.00 0.00 O ATOM 0 H GLU A 11 -17.395 -28.421 -24.304 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.462 -26.474 -24.203 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.445 -27.473 -26.384 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -20.888 -27.804 -25.447 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.417 -25.551 -25.188 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.756 -25.024 -25.376 1.00 0.00 H new ATOM 134 N LYS A 12 -19.592 -27.891 -21.946 1.00 0.00 N ATOM 135 CA LYS A 12 -20.342 -27.930 -20.696 1.00 0.00 C ATOM 136 C LYS A 12 -19.562 -27.256 -19.572 1.00 0.00 C ATOM 137 O LYS A 12 -18.388 -27.553 -19.353 1.00 0.00 O ATOM 138 CB LYS A 12 -20.661 -29.377 -20.314 1.00 0.00 C ATOM 139 CG LYS A 12 -21.121 -29.539 -18.875 1.00 0.00 C ATOM 140 CD LYS A 12 -20.830 -30.935 -18.351 1.00 0.00 C ATOM 141 CE LYS A 12 -19.336 -31.169 -18.186 1.00 0.00 C ATOM 142 NZ LYS A 12 -19.043 -32.132 -17.088 1.00 0.00 N ATOM 0 H LYS A 12 -18.697 -28.380 -21.915 1.00 0.00 H new ATOM 0 HA LYS A 12 -21.275 -27.386 -20.844 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -21.436 -29.757 -20.979 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.774 -29.990 -20.474 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -20.621 -28.802 -18.247 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -22.191 -29.340 -18.809 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.329 -31.076 -17.392 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.242 -31.675 -19.037 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.922 -31.547 -19.121 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.841 -30.220 -17.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.455 -31.668 -16.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.935 -32.449 -16.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.534 -32.953 -17.473 1.00 0.00 H new ATOM 156 N PHE A 13 -20.224 -26.349 -18.861 1.00 0.00 N ATOM 157 CA PHE A 13 -19.592 -25.633 -17.758 1.00 0.00 C ATOM 158 C PHE A 13 -19.980 -26.249 -16.417 1.00 0.00 C ATOM 159 O PHE A 13 -21.159 -26.483 -16.147 1.00 0.00 O ATOM 160 CB PHE A 13 -19.989 -24.156 -17.788 1.00 0.00 C ATOM 161 CG PHE A 13 -18.955 -23.246 -17.188 1.00 0.00 C ATOM 162 CD1 PHE A 13 -17.751 -23.021 -17.835 1.00 0.00 C ATOM 163 CD2 PHE A 13 -19.188 -22.615 -15.976 1.00 0.00 C ATOM 164 CE1 PHE A 13 -16.798 -22.184 -17.286 1.00 0.00 C ATOM 165 CE2 PHE A 13 -18.239 -21.777 -15.422 1.00 0.00 C ATOM 166 CZ PHE A 13 -17.042 -21.562 -16.077 1.00 0.00 C ATOM 0 H PHE A 13 -21.197 -26.092 -19.028 1.00 0.00 H new ATOM 0 HA PHE A 13 -18.511 -25.714 -17.876 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -20.169 -23.857 -18.821 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -20.929 -24.029 -17.251 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -17.555 -23.506 -18.780 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -20.122 -22.780 -15.459 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -15.864 -22.016 -17.802 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -18.433 -21.291 -14.478 1.00 0.00 H new ATOM 0 HZ PHE A 13 -16.298 -20.909 -15.645 1.00 0.00 H new ATOM 176 N ILE A 14 -18.981 -26.509 -15.581 1.00 0.00 N ATOM 177 CA ILE A 14 -19.217 -27.096 -14.268 1.00 0.00 C ATOM 178 C ILE A 14 -18.975 -26.079 -13.159 1.00 0.00 C ATOM 179 O ILE A 14 -18.016 -25.308 -13.206 1.00 0.00 O ATOM 180 CB ILE A 14 -18.316 -28.323 -14.030 1.00 0.00 C ATOM 181 CG1 ILE A 14 -18.642 -29.426 -15.038 1.00 0.00 C ATOM 182 CG2 ILE A 14 -18.482 -28.833 -12.606 1.00 0.00 C ATOM 183 CD1 ILE A 14 -20.031 -30.003 -14.875 1.00 0.00 C ATOM 0 H ILE A 14 -18.000 -26.322 -15.790 1.00 0.00 H new ATOM 0 HA ILE A 14 -20.260 -27.411 -14.246 1.00 0.00 H new ATOM 0 HB ILE A 14 -17.277 -28.025 -14.170 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -18.539 -29.027 -16.047 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -17.910 -30.227 -14.937 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -17.839 -29.700 -12.453 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -18.205 -28.047 -11.903 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -19.521 -29.118 -12.440 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -20.193 -30.779 -15.623 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -20.132 -30.433 -13.878 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -20.771 -29.213 -15.006 1.00 0.00 H new ATOM 195 N VAL A 15 -19.850 -26.082 -12.158 1.00 0.00 N ATOM 196 CA VAL A 15 -19.731 -25.162 -11.034 1.00 0.00 C ATOM 197 C VAL A 15 -19.144 -25.859 -9.812 1.00 0.00 C ATOM 198 O VAL A 15 -19.341 -27.055 -9.595 1.00 0.00 O ATOM 199 CB VAL A 15 -21.095 -24.554 -10.659 1.00 0.00 C ATOM 200 CG1 VAL A 15 -21.643 -23.720 -11.807 1.00 0.00 C ATOM 201 CG2 VAL A 15 -22.076 -25.649 -10.268 1.00 0.00 C ATOM 0 H VAL A 15 -20.650 -26.713 -12.103 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.060 -24.363 -11.350 1.00 0.00 H new ATOM 0 HB VAL A 15 -20.957 -23.898 -9.800 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -22.607 -23.299 -11.523 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.947 -22.912 -12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -21.768 -24.350 -12.687 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -23.035 -25.202 -10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -22.211 -26.333 -11.106 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -21.686 -26.198 -9.411 1.00 0.00 H new ATOM 211 N PRO A 16 -18.404 -25.096 -8.994 1.00 0.00 N ATOM 212 CA PRO A 16 -17.774 -25.620 -7.778 1.00 0.00 C ATOM 213 C PRO A 16 -18.794 -25.963 -6.698 1.00 0.00 C ATOM 214 O PRO A 16 -19.533 -25.095 -6.231 1.00 0.00 O ATOM 215 CB PRO A 16 -16.876 -24.468 -7.320 1.00 0.00 C ATOM 216 CG PRO A 16 -17.512 -23.244 -7.885 1.00 0.00 C ATOM 217 CD PRO A 16 -18.128 -23.663 -9.191 1.00 0.00 C ATOM 0 HA PRO A 16 -17.236 -26.549 -7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.819 -24.419 -6.233 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.857 -24.590 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.268 -22.848 -7.206 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.775 -22.455 -8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.039 -23.104 -9.403 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.449 -23.496 -10.027 1.00 0.00 H new ATOM 225 N ILE A 17 -18.828 -27.231 -6.304 1.00 0.00 N ATOM 226 CA ILE A 17 -19.756 -27.687 -5.277 1.00 0.00 C ATOM 227 C ILE A 17 -19.730 -26.764 -4.064 1.00 0.00 C ATOM 228 O ILE A 17 -20.715 -26.091 -3.760 1.00 0.00 O ATOM 229 CB ILE A 17 -19.433 -29.123 -4.823 1.00 0.00 C ATOM 230 CG1 ILE A 17 -19.488 -30.082 -6.014 1.00 0.00 C ATOM 231 CG2 ILE A 17 -20.399 -29.565 -3.734 1.00 0.00 C ATOM 232 CD1 ILE A 17 -18.724 -31.368 -5.790 1.00 0.00 C ATOM 0 H ILE A 17 -18.223 -27.961 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.751 -27.671 -5.722 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.423 -29.140 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.529 -30.321 -6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.087 -29.579 -6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -20.157 -30.582 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -20.314 -28.895 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.419 -29.535 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -18.807 -31.999 -6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -17.675 -31.140 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -19.139 -31.893 -4.930 1.00 0.00 H new ATOM 244 N LYS A 18 -18.596 -26.736 -3.373 1.00 0.00 N ATOM 245 CA LYS A 18 -18.438 -25.894 -2.193 1.00 0.00 C ATOM 246 C LYS A 18 -17.602 -24.659 -2.514 1.00 0.00 C ATOM 247 O LYS A 18 -16.378 -24.736 -2.615 1.00 0.00 O ATOM 248 CB LYS A 18 -17.783 -26.686 -1.059 1.00 0.00 C ATOM 249 CG LYS A 18 -17.660 -25.904 0.237 1.00 0.00 C ATOM 250 CD LYS A 18 -16.263 -25.335 0.415 1.00 0.00 C ATOM 251 CE LYS A 18 -15.242 -26.433 0.670 1.00 0.00 C ATOM 252 NZ LYS A 18 -15.109 -26.741 2.120 1.00 0.00 N ATOM 0 H LYS A 18 -17.771 -27.288 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.428 -25.568 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.365 -27.589 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.790 -27.005 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.388 -25.093 0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -17.899 -26.554 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.981 -24.775 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.259 -24.632 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.537 -27.335 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.274 -26.128 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.404 -27.494 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.803 -25.888 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.027 -27.057 2.493 1.00 0.00 H new ATOM 266 N ALA A 19 -18.271 -23.522 -2.673 1.00 0.00 N ATOM 267 CA ALA A 19 -17.589 -22.270 -2.979 1.00 0.00 C ATOM 268 C ALA A 19 -17.805 -21.243 -1.873 1.00 0.00 C ATOM 269 O ALA A 19 -16.898 -20.484 -1.532 1.00 0.00 O ATOM 270 CB ALA A 19 -18.069 -21.720 -4.314 1.00 0.00 C ATOM 0 H ALA A 19 -19.285 -23.442 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.520 -22.474 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -17.552 -20.785 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -17.857 -22.442 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.143 -21.538 -4.268 1.00 0.00 H new ATOM 276 N ARG A 20 -19.012 -21.224 -1.316 1.00 0.00 N ATOM 277 CA ARG A 20 -19.346 -20.288 -0.250 1.00 0.00 C ATOM 278 C ARG A 20 -19.080 -20.906 1.120 1.00 0.00 C ATOM 279 O ARG A 20 -19.557 -20.410 2.139 1.00 0.00 O ATOM 280 CB ARG A 20 -20.813 -19.867 -0.354 1.00 0.00 C ATOM 281 CG ARG A 20 -21.179 -19.262 -1.699 1.00 0.00 C ATOM 282 CD ARG A 20 -22.361 -18.312 -1.580 1.00 0.00 C ATOM 283 NE ARG A 20 -22.658 -17.646 -2.846 1.00 0.00 N ATOM 284 CZ ARG A 20 -23.131 -16.408 -2.932 1.00 0.00 C ATOM 285 NH1 ARG A 20 -23.360 -15.705 -1.832 1.00 0.00 N ATOM 286 NH2 ARG A 20 -23.377 -15.871 -4.120 1.00 0.00 N ATOM 0 H ARG A 20 -19.774 -21.846 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.713 -19.408 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.445 -20.736 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.031 -19.144 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.320 -18.727 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -21.420 -20.058 -2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.239 -18.866 -1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -22.149 -17.563 -0.817 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.493 -18.160 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.173 -16.115 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.723 -14.754 -1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.203 -16.409 -4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.740 -14.920 -4.184 1.00 0.00 H new ATOM 300 N GLY A 21 -18.313 -21.993 1.134 1.00 0.00 N ATOM 301 CA GLY A 21 -17.997 -22.661 2.383 1.00 0.00 C ATOM 302 C GLY A 21 -16.840 -22.009 3.112 1.00 0.00 C ATOM 303 O GLY A 21 -17.044 -21.179 3.998 1.00 0.00 O ATOM 0 H GLY A 21 -17.905 -22.422 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -18.877 -22.657 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.754 -23.704 2.182 1.00 0.00 H new ATOM 307 N ALA A 22 -15.620 -22.385 2.741 1.00 0.00 N ATOM 308 CA ALA A 22 -14.426 -21.831 3.366 1.00 0.00 C ATOM 309 C ALA A 22 -14.070 -20.476 2.764 1.00 0.00 C ATOM 310 O ALA A 22 -14.033 -20.319 1.543 1.00 0.00 O ATOM 311 CB ALA A 22 -13.259 -22.797 3.224 1.00 0.00 C ATOM 0 H ALA A 22 -15.433 -23.072 2.010 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.635 -21.685 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.374 -22.370 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.508 -23.742 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.058 -22.972 2.167 1.00 0.00 H new ATOM 317 N ARG A 23 -13.808 -19.500 3.627 1.00 0.00 N ATOM 318 CA ARG A 23 -13.457 -18.158 3.180 1.00 0.00 C ATOM 319 C ARG A 23 -12.047 -17.787 3.630 1.00 0.00 C ATOM 320 O ARG A 23 -11.593 -18.208 4.693 1.00 0.00 O ATOM 321 CB ARG A 23 -14.461 -17.138 3.719 1.00 0.00 C ATOM 322 CG ARG A 23 -14.279 -16.826 5.195 1.00 0.00 C ATOM 323 CD ARG A 23 -15.571 -16.326 5.822 1.00 0.00 C ATOM 324 NE ARG A 23 -15.335 -15.647 7.094 1.00 0.00 N ATOM 325 CZ ARG A 23 -16.307 -15.174 7.865 1.00 0.00 C ATOM 326 NH1 ARG A 23 -17.574 -15.305 7.497 1.00 0.00 N ATOM 327 NH2 ARG A 23 -16.013 -14.568 9.009 1.00 0.00 N ATOM 0 H ARG A 23 -13.832 -19.614 4.640 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.488 -18.146 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.370 -16.214 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.471 -17.515 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.942 -17.721 5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.500 -16.073 5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.068 -15.643 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.247 -17.167 5.980 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.371 -15.530 7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.805 -15.770 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.318 -14.940 8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.040 -14.465 9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.760 -14.205 9.601 1.00 0.00 H new ATOM 341 N ALA A 24 -11.359 -16.995 2.813 1.00 0.00 N ATOM 342 CA ALA A 24 -10.003 -16.566 3.128 1.00 0.00 C ATOM 343 C ALA A 24 -9.951 -15.067 3.405 1.00 0.00 C ATOM 344 O ALA A 24 -10.552 -14.272 2.682 1.00 0.00 O ATOM 345 CB ALA A 24 -9.058 -16.927 1.991 1.00 0.00 C ATOM 0 H ALA A 24 -11.719 -16.638 1.928 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.684 -17.087 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.048 -16.601 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.064 -18.007 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.384 -16.433 1.076 1.00 0.00 H new ATOM 351 N ILE A 25 -9.231 -14.689 4.455 1.00 0.00 N ATOM 352 CA ILE A 25 -9.102 -13.285 4.827 1.00 0.00 C ATOM 353 C ILE A 25 -7.686 -12.969 5.296 1.00 0.00 C ATOM 354 O ILE A 25 -7.113 -13.694 6.110 1.00 0.00 O ATOM 355 CB ILE A 25 -10.096 -12.903 5.939 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.507 -13.370 5.574 1.00 0.00 C ATOM 357 CG2 ILE A 25 -10.074 -11.401 6.176 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.450 -13.426 6.756 1.00 0.00 C ATOM 0 H ILE A 25 -8.728 -15.335 5.064 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.326 -12.700 3.935 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.796 -13.401 6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.920 -12.698 4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.447 -14.359 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.782 -11.147 6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.072 -11.095 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.353 -10.884 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.431 -13.765 6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.060 -14.120 7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.540 -12.433 7.197 1.00 0.00 H new ATOM 370 N LEU A 26 -7.126 -11.881 4.778 1.00 0.00 N ATOM 371 CA LEU A 26 -5.777 -11.466 5.145 1.00 0.00 C ATOM 372 C LEU A 26 -5.812 -10.251 6.066 1.00 0.00 C ATOM 373 O LEU A 26 -6.879 -9.705 6.349 1.00 0.00 O ATOM 374 CB LEU A 26 -4.961 -11.146 3.891 1.00 0.00 C ATOM 375 CG LEU A 26 -4.207 -12.319 3.264 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.116 -12.815 4.200 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.168 -13.447 2.917 1.00 0.00 C ATOM 0 H LEU A 26 -7.586 -11.270 4.102 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.303 -12.290 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.633 -10.729 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.240 -10.368 4.140 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.737 -11.973 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.591 -13.650 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.411 -12.007 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.563 -13.144 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.614 -14.273 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.667 -13.791 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.912 -13.086 2.208 1.00 0.00 H new ATOM 389 N ASP A 27 -4.640 -9.832 6.529 1.00 0.00 N ATOM 390 CA ASP A 27 -4.536 -8.678 7.415 1.00 0.00 C ATOM 391 C ASP A 27 -3.713 -7.568 6.769 1.00 0.00 C ATOM 392 O ASP A 27 -2.485 -7.636 6.727 1.00 0.00 O ATOM 393 CB ASP A 27 -3.905 -9.087 8.748 1.00 0.00 C ATOM 394 CG ASP A 27 -3.626 -7.898 9.645 1.00 0.00 C ATOM 395 OD1 ASP A 27 -4.414 -6.929 9.609 1.00 0.00 O ATOM 396 OD2 ASP A 27 -2.621 -7.936 10.385 1.00 0.00 O ATOM 0 H ASP A 27 -3.748 -10.274 6.306 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.542 -8.300 7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.570 -9.780 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.974 -9.621 8.557 1.00 0.00 H new ATOM 401 N PHE A 28 -4.399 -6.548 6.265 1.00 0.00 N ATOM 402 CA PHE A 28 -3.732 -5.424 5.618 1.00 0.00 C ATOM 403 C PHE A 28 -4.158 -4.102 6.249 1.00 0.00 C ATOM 404 O PHE A 28 -5.312 -3.913 6.636 1.00 0.00 O ATOM 405 CB PHE A 28 -4.045 -5.411 4.120 1.00 0.00 C ATOM 406 CG PHE A 28 -3.213 -6.375 3.325 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.589 -7.704 3.210 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.054 -5.954 2.693 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.824 -8.594 2.480 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.285 -6.839 1.961 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.672 -8.161 1.853 1.00 0.00 C ATOM 0 H PHE A 28 -5.416 -6.476 6.292 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.657 -5.543 5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.099 -5.648 3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.889 -4.404 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.490 -8.048 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.748 -4.921 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.127 -9.628 2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.383 -6.498 1.474 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.075 -8.854 1.279 1.00 0.00 H new ATOM 421 N PRO A 29 -3.206 -3.164 6.357 1.00 0.00 N ATOM 422 CA PRO A 29 -3.458 -1.843 6.941 1.00 0.00 C ATOM 423 C PRO A 29 -4.347 -0.977 6.055 1.00 0.00 C ATOM 424 O PRO A 29 -4.414 -1.178 4.842 1.00 0.00 O ATOM 425 CB PRO A 29 -2.059 -1.232 7.054 1.00 0.00 C ATOM 426 CG PRO A 29 -1.258 -1.924 6.006 1.00 0.00 C ATOM 427 CD PRO A 29 -1.809 -3.320 5.917 1.00 0.00 C ATOM 0 HA PRO A 29 -3.986 -1.912 7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.083 -0.155 6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.636 -1.392 8.046 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.341 -1.410 5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.200 -1.938 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.749 -3.712 4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.260 -4.010 6.558 1.00 0.00 H new ATOM 435 N ASP A 30 -5.027 -0.014 6.668 1.00 0.00 N ATOM 436 CA ASP A 30 -5.911 0.883 5.934 1.00 0.00 C ATOM 437 C ASP A 30 -5.167 1.560 4.786 1.00 0.00 C ATOM 438 O ASP A 30 -5.691 1.680 3.678 1.00 0.00 O ATOM 439 CB ASP A 30 -6.494 1.940 6.873 1.00 0.00 C ATOM 440 CG ASP A 30 -7.829 2.471 6.389 1.00 0.00 C ATOM 441 OD1 ASP A 30 -7.892 2.965 5.244 1.00 0.00 O ATOM 442 OD2 ASP A 30 -8.811 2.392 7.156 1.00 0.00 O ATOM 0 H ASP A 30 -4.983 0.165 7.671 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.725 0.290 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.616 1.511 7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.790 2.767 6.967 1.00 0.00 H new ATOM 447 N LYS A 31 -3.944 2.001 5.059 1.00 0.00 N ATOM 448 CA LYS A 31 -3.127 2.666 4.050 1.00 0.00 C ATOM 449 C LYS A 31 -1.650 2.610 4.424 1.00 0.00 C ATOM 450 O LYS A 31 -1.300 2.369 5.580 1.00 0.00 O ATOM 451 CB LYS A 31 -3.568 4.122 3.886 1.00 0.00 C ATOM 452 CG LYS A 31 -3.482 4.932 5.167 1.00 0.00 C ATOM 453 CD LYS A 31 -3.347 6.418 4.879 1.00 0.00 C ATOM 454 CE LYS A 31 -4.708 7.086 4.751 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.286 6.909 3.390 1.00 0.00 N ATOM 0 H LYS A 31 -3.496 1.910 5.971 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.264 2.143 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.950 4.596 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.595 4.143 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.373 4.757 5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.628 4.595 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.780 6.895 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.782 6.562 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.389 6.668 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.613 8.150 4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.916 7.708 3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.519 6.874 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.827 6.022 3.355 1.00 0.00 H new ATOM 469 N LEU A 32 -0.786 2.837 3.440 1.00 0.00 N ATOM 470 CA LEU A 32 0.655 2.814 3.666 1.00 0.00 C ATOM 471 C LEU A 32 1.212 4.230 3.768 1.00 0.00 C ATOM 472 O LEU A 32 1.198 4.985 2.797 1.00 0.00 O ATOM 473 CB LEU A 32 1.356 2.058 2.536 1.00 0.00 C ATOM 474 CG LEU A 32 2.725 1.466 2.874 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.694 2.562 3.287 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.597 0.422 3.974 1.00 0.00 C ATOM 0 H LEU A 32 -1.059 3.039 2.478 1.00 0.00 H new ATOM 0 HA LEU A 32 0.842 2.301 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.704 1.249 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.474 2.736 1.691 1.00 0.00 H new ATOM 0 HG LEU A 32 3.119 0.979 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.662 2.121 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.809 3.273 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.306 3.079 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.581 0.011 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.181 0.885 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.938 -0.379 3.640 1.00 0.00 H new ATOM 488 N ASN A 33 1.704 4.583 4.952 1.00 0.00 N ATOM 489 CA ASN A 33 2.268 5.909 5.180 1.00 0.00 C ATOM 490 C ASN A 33 3.780 5.899 4.977 1.00 0.00 C ATOM 491 O ASN A 33 4.524 5.363 5.799 1.00 0.00 O ATOM 492 CB ASN A 33 1.935 6.390 6.594 1.00 0.00 C ATOM 493 CG ASN A 33 2.407 5.421 7.661 1.00 0.00 C ATOM 494 OD1 ASN A 33 3.570 5.442 8.064 1.00 0.00 O ATOM 495 ND2 ASN A 33 1.503 4.565 8.124 1.00 0.00 N ATOM 0 H ASN A 33 1.723 3.970 5.767 1.00 0.00 H new ATOM 0 HA ASN A 33 1.827 6.594 4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.396 7.363 6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.857 6.528 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.762 3.889 8.843 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.550 4.584 7.761 1.00 0.00 H new ATOM 502 N PHE A 34 4.227 6.496 3.878 1.00 0.00 N ATOM 503 CA PHE A 34 5.650 6.556 3.566 1.00 0.00 C ATOM 504 C PHE A 34 6.262 7.863 4.064 1.00 0.00 C ATOM 505 O PHE A 34 5.972 8.937 3.536 1.00 0.00 O ATOM 506 CB PHE A 34 5.870 6.419 2.058 1.00 0.00 C ATOM 507 CG PHE A 34 6.072 5.001 1.608 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.313 4.394 1.721 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.022 4.274 1.071 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.502 3.089 1.307 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.205 2.968 0.656 1.00 0.00 C ATOM 512 CZ PHE A 34 6.446 2.375 0.775 1.00 0.00 C ATOM 0 H PHE A 34 3.625 6.945 3.188 1.00 0.00 H new ATOM 0 HA PHE A 34 6.143 5.727 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.011 6.839 1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.739 7.010 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.142 4.947 2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.049 4.733 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.474 2.628 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.378 2.412 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.591 1.354 0.453 1.00 0.00 H new ATOM 522 N SER A 35 7.109 7.762 5.083 1.00 0.00 N ATOM 523 CA SER A 35 7.758 8.935 5.656 1.00 0.00 C ATOM 524 C SER A 35 8.440 9.763 4.571 1.00 0.00 C ATOM 525 O SER A 35 8.497 9.359 3.409 1.00 0.00 O ATOM 526 CB SER A 35 8.783 8.513 6.710 1.00 0.00 C ATOM 527 OG SER A 35 9.747 7.632 6.161 1.00 0.00 O ATOM 0 H SER A 35 7.362 6.880 5.529 1.00 0.00 H new ATOM 0 HA SER A 35 6.991 9.548 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.280 9.396 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.274 8.027 7.542 1.00 0.00 H new ATOM 0 HG SER A 35 10.391 7.379 6.855 1.00 0.00 H new ATOM 533 N THR A 36 8.956 10.925 4.958 1.00 0.00 N ATOM 534 CA THR A 36 9.632 11.812 4.020 1.00 0.00 C ATOM 535 C THR A 36 10.749 11.082 3.282 1.00 0.00 C ATOM 536 O THR A 36 11.690 10.582 3.899 1.00 0.00 O ATOM 537 CB THR A 36 10.223 13.042 4.735 1.00 0.00 C ATOM 538 OG1 THR A 36 9.286 13.550 5.691 1.00 0.00 O ATOM 539 CG2 THR A 36 10.577 14.132 3.735 1.00 0.00 C ATOM 0 H THR A 36 8.919 11.274 5.916 1.00 0.00 H new ATOM 0 HA THR A 36 8.882 12.144 3.303 1.00 0.00 H new ATOM 0 HB THR A 36 11.134 12.733 5.248 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.670 14.331 6.142 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.992 14.990 4.264 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.313 13.751 3.027 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.680 14.437 3.197 1.00 0.00 H new ATOM 547 N CYS A 37 10.639 11.026 1.960 1.00 0.00 N ATOM 548 CA CYS A 37 11.640 10.357 1.137 1.00 0.00 C ATOM 549 C CYS A 37 11.986 11.196 -0.089 1.00 0.00 C ATOM 550 O CYS A 37 11.264 12.120 -0.463 1.00 0.00 O ATOM 551 CB CYS A 37 11.136 8.980 0.702 1.00 0.00 C ATOM 552 SG CYS A 37 11.623 7.633 1.805 1.00 0.00 S ATOM 0 H CYS A 37 9.867 11.436 1.435 1.00 0.00 H new ATOM 0 HA CYS A 37 12.542 10.233 1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 37 10.048 9.007 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.510 8.768 -0.300 1.00 0.00 H new ATOM 0 HG CYS A 37 10.560 7.055 2.280 1.00 0.00 H new ATOM 558 N PRO A 38 13.118 10.869 -0.730 1.00 0.00 N ATOM 559 CA PRO A 38 13.586 11.581 -1.923 1.00 0.00 C ATOM 560 C PRO A 38 12.705 11.316 -3.139 1.00 0.00 C ATOM 561 O PRO A 38 12.178 10.217 -3.309 1.00 0.00 O ATOM 562 CB PRO A 38 14.990 11.014 -2.146 1.00 0.00 C ATOM 563 CG PRO A 38 14.959 9.665 -1.516 1.00 0.00 C ATOM 564 CD PRO A 38 14.028 9.778 -0.340 1.00 0.00 C ATOM 0 HA PRO A 38 13.565 12.662 -1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.227 10.949 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.750 11.647 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.607 8.913 -2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.956 9.360 -1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.488 8.848 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.567 10.013 0.578 1.00 0.00 H new ATOM 572 N VAL A 39 12.549 12.331 -3.984 1.00 0.00 N ATOM 573 CA VAL A 39 11.733 12.207 -5.185 1.00 0.00 C ATOM 574 C VAL A 39 12.381 11.266 -6.195 1.00 0.00 C ATOM 575 O VAL A 39 11.861 10.186 -6.477 1.00 0.00 O ATOM 576 CB VAL A 39 11.503 13.577 -5.851 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.807 14.355 -5.938 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.884 13.402 -7.230 1.00 0.00 C ATOM 0 H VAL A 39 12.977 13.248 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 39 10.772 11.796 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 39 10.808 14.148 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.624 15.320 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.204 14.512 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.528 13.791 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.728 14.380 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.553 12.812 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.927 12.889 -7.137 1.00 0.00 H new ATOM 588 N LYS A 40 13.520 11.683 -6.738 1.00 0.00 N ATOM 589 CA LYS A 40 14.242 10.878 -7.716 1.00 0.00 C ATOM 590 C LYS A 40 14.534 9.486 -7.165 1.00 0.00 C ATOM 591 O LYS A 40 14.089 8.482 -7.722 1.00 0.00 O ATOM 592 CB LYS A 40 15.551 11.567 -8.108 1.00 0.00 C ATOM 593 CG LYS A 40 15.351 12.917 -8.775 1.00 0.00 C ATOM 594 CD LYS A 40 14.546 12.792 -10.057 1.00 0.00 C ATOM 595 CE LYS A 40 14.658 14.046 -10.911 1.00 0.00 C ATOM 596 NZ LYS A 40 13.934 15.197 -10.304 1.00 0.00 N ATOM 0 H LYS A 40 13.963 12.575 -6.517 1.00 0.00 H new ATOM 0 HA LYS A 40 13.613 10.776 -8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.164 11.699 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.107 10.916 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.840 13.591 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.321 13.362 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.897 11.931 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.499 12.608 -9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.709 14.305 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.255 13.846 -11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.034 16.032 -10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.926 14.960 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.335 15.404 -9.367 1.00 0.00 H new ATOM 610 N TYR A 41 15.281 9.433 -6.068 1.00 0.00 N ATOM 611 CA TYR A 41 15.632 8.163 -5.443 1.00 0.00 C ATOM 612 C TYR A 41 14.391 7.307 -5.213 1.00 0.00 C ATOM 613 O TYR A 41 13.263 7.790 -5.316 1.00 0.00 O ATOM 614 CB TYR A 41 16.351 8.406 -4.115 1.00 0.00 C ATOM 615 CG TYR A 41 17.844 8.595 -4.261 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.647 7.580 -4.766 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.453 9.789 -3.892 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.012 7.748 -4.900 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.816 9.966 -4.024 1.00 0.00 C ATOM 620 CZ TYR A 41 20.591 8.943 -4.528 1.00 0.00 C ATOM 621 OH TYR A 41 21.950 9.115 -4.659 1.00 0.00 O ATOM 0 H TYR A 41 15.655 10.254 -5.593 1.00 0.00 H new ATOM 0 HA TYR A 41 16.300 7.628 -6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.926 9.289 -3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.163 7.563 -3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.196 6.643 -5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.850 10.592 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.622 6.948 -5.294 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.273 10.901 -3.734 1.00 0.00 H new ATOM 0 HH TYR A 41 22.197 10.013 -4.354 1.00 0.00 H new ATOM 631 N SER A 42 14.607 6.034 -4.901 1.00 0.00 N ATOM 632 CA SER A 42 13.507 5.108 -4.659 1.00 0.00 C ATOM 633 C SER A 42 13.333 4.849 -3.165 1.00 0.00 C ATOM 634 O SER A 42 14.268 5.014 -2.381 1.00 0.00 O ATOM 635 CB SER A 42 13.753 3.787 -5.391 1.00 0.00 C ATOM 636 OG SER A 42 13.882 3.995 -6.787 1.00 0.00 O ATOM 0 H SER A 42 15.535 5.620 -4.810 1.00 0.00 H new ATOM 0 HA SER A 42 12.593 5.562 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.657 3.316 -5.005 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.929 3.101 -5.197 1.00 0.00 H new ATOM 0 HG SER A 42 14.040 3.137 -7.232 1.00 0.00 H new ATOM 642 N THR A 43 12.128 4.443 -2.778 1.00 0.00 N ATOM 643 CA THR A 43 11.829 4.162 -1.379 1.00 0.00 C ATOM 644 C THR A 43 11.327 2.734 -1.200 1.00 0.00 C ATOM 645 O THR A 43 10.635 2.198 -2.064 1.00 0.00 O ATOM 646 CB THR A 43 10.775 5.138 -0.823 1.00 0.00 C ATOM 647 OG1 THR A 43 11.316 6.463 -0.766 1.00 0.00 O ATOM 648 CG2 THR A 43 10.320 4.710 0.564 1.00 0.00 C ATOM 0 H THR A 43 11.343 4.301 -3.414 1.00 0.00 H new ATOM 0 HA THR A 43 12.759 4.289 -0.825 1.00 0.00 H new ATOM 0 HB THR A 43 9.913 5.127 -1.490 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.738 6.607 0.107 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.576 5.414 0.936 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.882 3.713 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.176 4.696 1.239 1.00 0.00 H new ATOM 656 N GLN A 44 11.681 2.124 -0.073 1.00 0.00 N ATOM 657 CA GLN A 44 11.266 0.758 0.218 1.00 0.00 C ATOM 658 C GLN A 44 10.656 0.659 1.613 1.00 0.00 C ATOM 659 O GLN A 44 10.887 1.518 2.465 1.00 0.00 O ATOM 660 CB GLN A 44 12.456 -0.196 0.101 1.00 0.00 C ATOM 661 CG GLN A 44 12.828 -0.532 -1.334 1.00 0.00 C ATOM 662 CD GLN A 44 13.714 0.521 -1.970 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.236 1.404 -1.288 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.888 0.434 -3.284 1.00 0.00 N ATOM 0 H GLN A 44 12.254 2.555 0.653 1.00 0.00 H new ATOM 0 HA GLN A 44 10.508 0.473 -0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.319 0.250 0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.225 -1.119 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.340 -1.494 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.919 -0.641 -1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.436 -0.314 -3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.473 1.115 -3.767 1.00 0.00 H new ATOM 673 N LYS A 45 9.876 -0.392 1.839 1.00 0.00 N ATOM 674 CA LYS A 45 9.233 -0.604 3.131 1.00 0.00 C ATOM 675 C LYS A 45 8.806 -2.059 3.293 1.00 0.00 C ATOM 676 O LYS A 45 8.634 -2.779 2.309 1.00 0.00 O ATOM 677 CB LYS A 45 8.018 0.315 3.275 1.00 0.00 C ATOM 678 CG LYS A 45 7.767 0.771 4.702 1.00 0.00 C ATOM 679 CD LYS A 45 6.654 1.803 4.770 1.00 0.00 C ATOM 680 CE LYS A 45 6.902 2.818 5.875 1.00 0.00 C ATOM 681 NZ LYS A 45 6.291 2.393 7.166 1.00 0.00 N ATOM 0 H LYS A 45 9.673 -1.111 1.144 1.00 0.00 H new ATOM 0 HA LYS A 45 9.955 -0.367 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.158 1.191 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.134 -0.205 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.505 -0.089 5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.682 1.194 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.575 2.318 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.702 1.302 4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.975 2.955 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.492 3.784 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.482 3.111 7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.263 2.287 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.700 1.484 7.461 1.00 0.00 H new ATOM 695 N ILE A 46 8.635 -2.485 4.540 1.00 0.00 N ATOM 696 CA ILE A 46 8.225 -3.854 4.830 1.00 0.00 C ATOM 697 C ILE A 46 6.834 -3.890 5.454 1.00 0.00 C ATOM 698 O ILE A 46 6.493 -3.049 6.286 1.00 0.00 O ATOM 699 CB ILE A 46 9.219 -4.550 5.778 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.634 -4.499 5.196 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.795 -5.990 6.026 1.00 0.00 C ATOM 702 CD1 ILE A 46 10.796 -5.312 3.931 1.00 0.00 C ATOM 0 H ILE A 46 8.774 -1.902 5.366 1.00 0.00 H new ATOM 0 HA ILE A 46 8.208 -4.387 3.879 1.00 0.00 H new ATOM 0 HB ILE A 46 9.219 -4.022 6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.895 -3.462 4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.339 -4.861 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.508 -6.469 6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.803 -6.005 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.770 -6.530 5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.823 -5.230 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.566 -6.357 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.116 -4.936 3.167 1.00 0.00 H new ATOM 714 N LEU A 47 6.036 -4.871 5.048 1.00 0.00 N ATOM 715 CA LEU A 47 4.681 -5.020 5.569 1.00 0.00 C ATOM 716 C LEU A 47 4.419 -6.459 6.001 1.00 0.00 C ATOM 717 O LEU A 47 4.343 -7.365 5.169 1.00 0.00 O ATOM 718 CB LEU A 47 3.658 -4.598 4.512 1.00 0.00 C ATOM 719 CG LEU A 47 2.256 -5.187 4.663 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.489 -4.466 5.761 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.501 -5.112 3.344 1.00 0.00 C ATOM 0 H LEU A 47 6.303 -5.575 4.360 1.00 0.00 H new ATOM 0 HA LEU A 47 4.580 -4.374 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.577 -3.511 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.043 -4.876 3.531 1.00 0.00 H new ATOM 0 HG LEU A 47 2.352 -6.236 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.493 -4.899 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.021 -4.573 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.403 -3.409 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.505 -5.536 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.416 -4.071 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.041 -5.675 2.583 1.00 0.00 H new ATOM 733 N LEU A 48 4.278 -6.663 7.306 1.00 0.00 N ATOM 734 CA LEU A 48 4.021 -7.992 7.850 1.00 0.00 C ATOM 735 C LEU A 48 2.555 -8.377 7.678 1.00 0.00 C ATOM 736 O LEU A 48 1.666 -7.750 8.254 1.00 0.00 O ATOM 737 CB LEU A 48 4.403 -8.042 9.330 1.00 0.00 C ATOM 738 CG LEU A 48 4.616 -9.436 9.922 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.390 -10.306 9.692 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.854 -10.087 9.322 1.00 0.00 C ATOM 0 H LEU A 48 4.337 -5.925 8.007 1.00 0.00 H new ATOM 0 HA LEU A 48 4.632 -8.707 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.319 -7.467 9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.623 -7.541 9.903 1.00 0.00 H new ATOM 0 HG LEU A 48 4.768 -9.334 10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.560 -11.294 10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.524 -9.848 10.169 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.207 -10.401 8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.990 -11.078 9.755 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.731 -10.176 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.729 -9.474 9.538 1.00 0.00 H new ATOM 752 N VAL A 49 2.310 -9.414 6.882 1.00 0.00 N ATOM 753 CA VAL A 49 0.953 -9.885 6.637 1.00 0.00 C ATOM 754 C VAL A 49 0.714 -11.240 7.294 1.00 0.00 C ATOM 755 O VAL A 49 1.572 -12.121 7.252 1.00 0.00 O ATOM 756 CB VAL A 49 0.662 -10.000 5.128 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.800 -10.346 4.891 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.036 -8.709 4.415 1.00 0.00 C ATOM 0 H VAL A 49 3.034 -9.943 6.396 1.00 0.00 H new ATOM 0 HA VAL A 49 0.279 -9.148 7.074 1.00 0.00 H new ATOM 0 HB VAL A 49 1.271 -10.805 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.987 -10.423 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.031 -11.298 5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.432 -9.565 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.824 -8.807 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.454 -7.884 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.098 -8.510 4.557 1.00 0.00 H new ATOM 768 N ARG A 50 -0.458 -11.398 7.900 1.00 0.00 N ATOM 769 CA ARG A 50 -0.810 -12.646 8.567 1.00 0.00 C ATOM 770 C ARG A 50 -2.207 -13.105 8.160 1.00 0.00 C ATOM 771 O ARG A 50 -3.145 -12.310 8.118 1.00 0.00 O ATOM 772 CB ARG A 50 -0.741 -12.475 10.086 1.00 0.00 C ATOM 773 CG ARG A 50 -0.949 -13.769 10.855 1.00 0.00 C ATOM 774 CD ARG A 50 -2.421 -14.008 11.155 1.00 0.00 C ATOM 775 NE ARG A 50 -2.821 -13.423 12.432 1.00 0.00 N ATOM 776 CZ ARG A 50 -3.380 -12.224 12.549 1.00 0.00 C ATOM 777 NH1 ARG A 50 -3.605 -11.487 11.470 1.00 0.00 N ATOM 778 NH2 ARG A 50 -3.717 -11.761 13.746 1.00 0.00 N ATOM 0 H ARG A 50 -1.179 -10.678 7.943 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.092 -13.407 8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.230 -12.056 10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.496 -11.753 10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.554 -14.605 10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.387 -13.733 11.788 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.028 -13.583 10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.619 -15.080 11.169 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.662 -13.965 13.281 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.349 -11.841 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.034 -10.566 11.562 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.547 -12.326 14.578 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.146 -10.840 13.834 1.00 0.00 H new ATOM 792 N ASN A 51 -2.337 -14.394 7.860 1.00 0.00 N ATOM 793 CA ASN A 51 -3.619 -14.958 7.454 1.00 0.00 C ATOM 794 C ASN A 51 -4.530 -15.160 8.661 1.00 0.00 C ATOM 795 O ASN A 51 -4.156 -15.820 9.630 1.00 0.00 O ATOM 796 CB ASN A 51 -3.407 -16.291 6.732 1.00 0.00 C ATOM 797 CG ASN A 51 -4.439 -16.532 5.648 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.101 -15.601 5.188 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.581 -17.785 5.234 1.00 0.00 N ATOM 0 H ASN A 51 -1.571 -15.067 7.891 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.098 -14.255 6.772 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.410 -16.308 6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.449 -17.104 7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.260 -18.008 4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.011 -18.525 5.643 1.00 0.00 H new ATOM 806 N ILE A 52 -5.728 -14.588 8.592 1.00 0.00 N ATOM 807 CA ILE A 52 -6.693 -14.706 9.678 1.00 0.00 C ATOM 808 C ILE A 52 -7.936 -15.465 9.228 1.00 0.00 C ATOM 809 O ILE A 52 -8.957 -15.469 9.915 1.00 0.00 O ATOM 810 CB ILE A 52 -7.114 -13.323 10.210 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.566 -12.425 9.057 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.967 -12.678 10.974 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.053 -11.065 9.506 1.00 0.00 C ATOM 0 H ILE A 52 -6.053 -14.039 7.796 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.202 -15.260 10.478 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.953 -13.453 10.894 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.736 -12.294 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.364 -12.925 8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.280 -11.701 11.344 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.688 -13.312 11.815 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.110 -12.558 10.311 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.357 -10.482 8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.903 -11.186 10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.250 -10.545 10.028 1.00 0.00 H new ATOM 825 N GLY A 53 -7.843 -16.109 8.068 1.00 0.00 N ATOM 826 CA GLY A 53 -8.966 -16.865 7.546 1.00 0.00 C ATOM 827 C GLY A 53 -9.049 -18.260 8.133 1.00 0.00 C ATOM 828 O GLY A 53 -8.543 -18.512 9.225 1.00 0.00 O ATOM 0 H GLY A 53 -7.009 -16.120 7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.891 -16.329 7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.880 -16.935 6.462 1.00 0.00 H new ATOM 832 N ASN A 54 -9.692 -19.168 7.406 1.00 0.00 N ATOM 833 CA ASN A 54 -9.842 -20.545 7.863 1.00 0.00 C ATOM 834 C ASN A 54 -9.124 -21.511 6.924 1.00 0.00 C ATOM 835 O ASN A 54 -8.661 -22.572 7.343 1.00 0.00 O ATOM 836 CB ASN A 54 -11.324 -20.915 7.958 1.00 0.00 C ATOM 837 CG ASN A 54 -11.863 -21.478 6.657 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.789 -20.834 5.610 1.00 0.00 O ATOM 839 ND2 ASN A 54 -12.410 -22.687 6.718 1.00 0.00 N ATOM 0 H ASN A 54 -10.117 -18.975 6.499 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.391 -20.624 8.852 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.463 -21.648 8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.899 -20.032 8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.790 -23.118 5.875 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.450 -23.184 7.608 1.00 0.00 H new ATOM 846 N LYS A 55 -9.036 -21.135 5.653 1.00 0.00 N ATOM 847 CA LYS A 55 -8.374 -21.965 4.654 1.00 0.00 C ATOM 848 C LYS A 55 -7.247 -21.198 3.969 1.00 0.00 C ATOM 849 O LYS A 55 -7.054 -20.009 4.217 1.00 0.00 O ATOM 850 CB LYS A 55 -9.384 -22.448 3.611 1.00 0.00 C ATOM 851 CG LYS A 55 -8.917 -23.663 2.828 1.00 0.00 C ATOM 852 CD LYS A 55 -10.090 -24.493 2.335 1.00 0.00 C ATOM 853 CE LYS A 55 -10.645 -23.952 1.026 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.673 -24.858 0.443 1.00 0.00 N ATOM 0 H LYS A 55 -9.415 -20.260 5.290 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.945 -22.829 5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.323 -22.687 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.591 -21.635 2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.316 -23.340 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.274 -24.278 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.773 -25.527 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.876 -24.498 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.082 -22.968 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.831 -23.820 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.026 -24.454 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.249 -25.789 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.462 -24.964 1.112 1.00 0.00 H new ATOM 868 N ASN A 56 -6.508 -21.886 3.105 1.00 0.00 N ATOM 869 CA ASN A 56 -5.402 -21.268 2.383 1.00 0.00 C ATOM 870 C ASN A 56 -5.865 -20.016 1.646 1.00 0.00 C ATOM 871 O ASN A 56 -6.781 -20.068 0.826 1.00 0.00 O ATOM 872 CB ASN A 56 -4.794 -22.262 1.391 1.00 0.00 C ATOM 873 CG ASN A 56 -5.628 -22.404 0.132 1.00 0.00 C ATOM 874 OD1 ASN A 56 -6.858 -22.422 0.187 1.00 0.00 O ATOM 875 ND2 ASN A 56 -4.960 -22.507 -1.011 1.00 0.00 N ATOM 0 H ASN A 56 -6.655 -22.872 2.888 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.643 -20.980 3.110 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.789 -21.936 1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.696 -23.236 1.870 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.467 -22.606 -1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.940 -22.487 -1.009 1.00 0.00 H new ATOM 882 N ALA A 57 -5.225 -18.890 1.944 1.00 0.00 N ATOM 883 CA ALA A 57 -5.569 -17.624 1.309 1.00 0.00 C ATOM 884 C ALA A 57 -4.663 -17.346 0.114 1.00 0.00 C ATOM 885 O ALA A 57 -3.461 -17.606 0.159 1.00 0.00 O ATOM 886 CB ALA A 57 -5.482 -16.487 2.315 1.00 0.00 C ATOM 0 H ALA A 57 -4.465 -18.829 2.622 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.594 -17.695 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.742 -15.548 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.175 -16.673 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.466 -16.424 2.706 1.00 0.00 H new ATOM 892 N VAL A 58 -5.248 -16.815 -0.956 1.00 0.00 N ATOM 893 CA VAL A 58 -4.494 -16.501 -2.163 1.00 0.00 C ATOM 894 C VAL A 58 -4.780 -15.081 -2.636 1.00 0.00 C ATOM 895 O VAL A 58 -5.864 -14.791 -3.144 1.00 0.00 O ATOM 896 CB VAL A 58 -4.821 -17.486 -3.301 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.066 -17.109 -4.567 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.497 -18.912 -2.882 1.00 0.00 C ATOM 0 H VAL A 58 -6.242 -16.594 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.438 -16.590 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.889 -17.428 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.310 -17.816 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.353 -16.104 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.994 -17.137 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.734 -19.594 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.437 -18.989 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.088 -19.177 -2.005 1.00 0.00 H new ATOM 908 N PHE A 59 -3.802 -14.198 -2.467 1.00 0.00 N ATOM 909 CA PHE A 59 -3.949 -12.806 -2.877 1.00 0.00 C ATOM 910 C PHE A 59 -3.042 -12.489 -4.062 1.00 0.00 C ATOM 911 O PHE A 59 -1.898 -12.942 -4.122 1.00 0.00 O ATOM 912 CB PHE A 59 -3.626 -11.872 -1.709 1.00 0.00 C ATOM 913 CG PHE A 59 -2.284 -12.132 -1.086 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.118 -13.161 -0.172 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.190 -11.348 -1.414 1.00 0.00 C ATOM 916 CE1 PHE A 59 -0.884 -13.404 0.402 1.00 0.00 C ATOM 917 CE2 PHE A 59 0.046 -11.587 -0.842 1.00 0.00 C ATOM 918 CZ PHE A 59 0.199 -12.615 0.067 1.00 0.00 C ATOM 0 H PHE A 59 -2.899 -14.421 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.984 -12.651 -3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.661 -10.840 -2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.398 -11.977 -0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.962 -13.780 0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.304 -10.542 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.767 -14.210 1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.892 -10.970 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.164 -12.802 0.515 1.00 0.00 H new ATOM 928 N HIS A 60 -3.560 -11.708 -5.004 1.00 0.00 N ATOM 929 CA HIS A 60 -2.798 -11.330 -6.189 1.00 0.00 C ATOM 930 C HIS A 60 -2.920 -9.833 -6.459 1.00 0.00 C ATOM 931 O HIS A 60 -3.937 -9.367 -6.973 1.00 0.00 O ATOM 932 CB HIS A 60 -3.280 -12.120 -7.406 1.00 0.00 C ATOM 933 CG HIS A 60 -2.501 -11.835 -8.652 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.528 -12.655 -9.761 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.670 -10.813 -8.963 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.747 -12.150 -10.699 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.215 -11.032 -10.240 1.00 0.00 N ATOM 0 H HIS A 60 -4.504 -11.324 -4.970 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.749 -11.564 -6.006 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.218 -13.186 -7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.331 -11.892 -7.584 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.067 -13.517 -9.844 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.413 -9.980 -8.325 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.573 -12.578 -11.675 1.00 0.00 H new ATOM 946 N ILE A 61 -1.878 -9.087 -6.108 1.00 0.00 N ATOM 947 CA ILE A 61 -1.870 -7.644 -6.313 1.00 0.00 C ATOM 948 C ILE A 61 -1.194 -7.280 -7.631 1.00 0.00 C ATOM 949 O ILE A 61 -0.243 -7.936 -8.056 1.00 0.00 O ATOM 950 CB ILE A 61 -1.150 -6.916 -5.162 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.681 -7.402 -3.812 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.326 -5.411 -5.296 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.689 -7.245 -2.681 1.00 0.00 C ATOM 0 H ILE A 61 -1.029 -9.458 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.911 -7.323 -6.340 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.085 -7.144 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.589 -6.850 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.960 -8.452 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.812 -4.910 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.905 -5.079 -6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.387 -5.164 -5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.133 -7.610 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.210 -7.819 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.429 -6.193 -2.569 1.00 0.00 H new ATOM 965 N LYS A 62 -1.690 -6.227 -8.272 1.00 0.00 N ATOM 966 CA LYS A 62 -1.133 -5.772 -9.541 1.00 0.00 C ATOM 967 C LYS A 62 -1.118 -4.248 -9.612 1.00 0.00 C ATOM 968 O LYS A 62 -2.165 -3.603 -9.556 1.00 0.00 O ATOM 969 CB LYS A 62 -1.941 -6.340 -10.709 1.00 0.00 C ATOM 970 CG LYS A 62 -1.477 -7.714 -11.159 1.00 0.00 C ATOM 971 CD LYS A 62 -0.336 -7.618 -12.158 1.00 0.00 C ATOM 972 CE LYS A 62 -0.219 -8.883 -12.994 1.00 0.00 C ATOM 973 NZ LYS A 62 0.784 -8.736 -14.085 1.00 0.00 N ATOM 0 H LYS A 62 -2.477 -5.673 -7.934 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.106 -6.132 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.990 -6.397 -10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.879 -5.651 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.156 -8.292 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.312 -8.251 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.496 -6.761 -12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.600 -7.444 -11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.062 -9.718 -12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.191 -9.125 -13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.834 -9.619 -14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.503 -7.956 -14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.717 -8.530 -13.674 1.00 0.00 H new ATOM 987 N THR A 63 0.076 -3.678 -9.738 1.00 0.00 N ATOM 988 CA THR A 63 0.228 -2.230 -9.818 1.00 0.00 C ATOM 989 C THR A 63 1.379 -1.848 -10.741 1.00 0.00 C ATOM 990 O THR A 63 2.213 -2.685 -11.089 1.00 0.00 O ATOM 991 CB THR A 63 0.472 -1.614 -8.428 1.00 0.00 C ATOM 992 OG1 THR A 63 0.260 -0.198 -8.476 1.00 0.00 O ATOM 993 CG2 THR A 63 1.887 -1.903 -7.949 1.00 0.00 C ATOM 0 H THR A 63 0.953 -4.197 -9.787 1.00 0.00 H new ATOM 0 HA THR A 63 -0.704 -1.836 -10.223 1.00 0.00 H new ATOM 0 HB THR A 63 -0.231 -2.063 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.415 0.186 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.036 -1.458 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.037 -2.981 -7.886 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.603 -1.477 -8.652 1.00 0.00 H new ATOM 1001 N CYS A 64 1.420 -0.580 -11.134 1.00 0.00 N ATOM 1002 CA CYS A 64 2.471 -0.087 -12.018 1.00 0.00 C ATOM 1003 C CYS A 64 3.198 1.097 -11.389 1.00 0.00 C ATOM 1004 O CYS A 64 2.653 1.788 -10.528 1.00 0.00 O ATOM 1005 CB CYS A 64 1.880 0.321 -13.368 1.00 0.00 C ATOM 1006 SG CYS A 64 3.090 1.000 -14.528 1.00 0.00 S ATOM 0 H CYS A 64 0.738 0.125 -10.855 1.00 0.00 H new ATOM 0 HA CYS A 64 3.190 -0.892 -12.172 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.405 -0.548 -13.822 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.097 1.061 -13.201 1.00 0.00 H new ATOM 0 HG CYS A 64 2.496 1.313 -15.641 1.00 0.00 H new ATOM 1012 N ARG A 65 4.434 1.324 -11.824 1.00 0.00 N ATOM 1013 CA ARG A 65 5.237 2.423 -11.302 1.00 0.00 C ATOM 1014 C ARG A 65 4.473 3.741 -11.379 1.00 0.00 C ATOM 1015 O ARG A 65 3.495 3.877 -12.115 1.00 0.00 O ATOM 1016 CB ARG A 65 6.551 2.536 -12.078 1.00 0.00 C ATOM 1017 CG ARG A 65 7.693 1.747 -11.461 1.00 0.00 C ATOM 1018 CD ARG A 65 8.793 1.474 -12.475 1.00 0.00 C ATOM 1019 NE ARG A 65 10.001 0.948 -11.844 1.00 0.00 N ATOM 1020 CZ ARG A 65 10.189 -0.339 -11.574 1.00 0.00 C ATOM 1021 NH1 ARG A 65 9.252 -1.227 -11.878 1.00 0.00 N ATOM 1022 NH2 ARG A 65 11.315 -0.740 -10.998 1.00 0.00 N ATOM 0 H ARG A 65 4.900 0.762 -12.536 1.00 0.00 H new ATOM 0 HA ARG A 65 5.458 2.213 -10.255 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.391 2.189 -13.099 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.838 3.586 -12.139 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.104 2.300 -10.616 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.315 0.803 -11.070 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.433 0.762 -13.218 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.033 2.395 -13.006 1.00 0.00 H new ATOM 0 HE ARG A 65 10.741 1.605 -11.597 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.385 -0.922 -12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.399 -2.215 -11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.037 -0.060 -10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.458 -1.729 -10.791 1.00 0.00 H new ATOM 1036 N PRO A 66 4.927 4.735 -10.602 1.00 0.00 N ATOM 1037 CA PRO A 66 6.089 4.584 -9.722 1.00 0.00 C ATOM 1038 C PRO A 66 5.808 3.660 -8.542 1.00 0.00 C ATOM 1039 O PRO A 66 6.680 3.418 -7.708 1.00 0.00 O ATOM 1040 CB PRO A 66 6.351 6.011 -9.232 1.00 0.00 C ATOM 1041 CG PRO A 66 5.032 6.695 -9.335 1.00 0.00 C ATOM 1042 CD PRO A 66 4.340 6.083 -10.522 1.00 0.00 C ATOM 0 HA PRO A 66 6.936 4.134 -10.240 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.720 6.016 -8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.104 6.508 -9.844 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.447 6.553 -8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.159 7.769 -9.468 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.260 6.043 -10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.522 6.655 -11.432 1.00 0.00 H new ATOM 1050 N PHE A 67 4.584 3.145 -8.479 1.00 0.00 N ATOM 1051 CA PHE A 67 4.187 2.247 -7.401 1.00 0.00 C ATOM 1052 C PHE A 67 4.355 0.788 -7.819 1.00 0.00 C ATOM 1053 O PHE A 67 3.952 0.394 -8.913 1.00 0.00 O ATOM 1054 CB PHE A 67 2.734 2.509 -6.999 1.00 0.00 C ATOM 1055 CG PHE A 67 2.591 3.524 -5.901 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.244 3.353 -4.691 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.802 4.650 -6.079 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.114 4.285 -3.679 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.669 5.586 -5.071 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.325 5.403 -3.869 1.00 0.00 C ATOM 0 H PHE A 67 3.850 3.334 -9.162 1.00 0.00 H new ATOM 0 HA PHE A 67 4.834 2.439 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.179 2.850 -7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.279 1.572 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.862 2.481 -4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.285 4.797 -7.016 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.629 4.140 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.053 6.460 -5.223 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.221 6.133 -3.079 1.00 0.00 H new ATOM 1070 N SER A 68 4.955 -0.007 -6.938 1.00 0.00 N ATOM 1071 CA SER A 68 5.181 -1.421 -7.216 1.00 0.00 C ATOM 1072 C SER A 68 5.532 -2.176 -5.938 1.00 0.00 C ATOM 1073 O SER A 68 6.007 -1.587 -4.967 1.00 0.00 O ATOM 1074 CB SER A 68 6.301 -1.587 -8.245 1.00 0.00 C ATOM 1075 OG SER A 68 7.040 -2.773 -8.006 1.00 0.00 O ATOM 0 H SER A 68 5.293 0.304 -6.027 1.00 0.00 H new ATOM 0 HA SER A 68 4.260 -1.839 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.876 -1.615 -9.248 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.967 -0.725 -8.205 1.00 0.00 H new ATOM 0 HG SER A 68 7.749 -2.858 -8.677 1.00 0.00 H new ATOM 1081 N ILE A 69 5.294 -3.483 -5.946 1.00 0.00 N ATOM 1082 CA ILE A 69 5.586 -4.320 -4.789 1.00 0.00 C ATOM 1083 C ILE A 69 6.034 -5.713 -5.217 1.00 0.00 C ATOM 1084 O ILE A 69 5.819 -6.121 -6.358 1.00 0.00 O ATOM 1085 CB ILE A 69 4.361 -4.448 -3.864 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.422 -5.542 -4.374 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.630 -3.117 -3.766 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.997 -5.352 -5.813 1.00 0.00 C ATOM 0 H ILE A 69 4.900 -3.985 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 69 6.394 -3.833 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 69 4.704 -4.726 -2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.916 -6.509 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.534 -5.571 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.767 -3.223 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.303 -2.361 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.296 -2.812 -4.758 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.332 -6.165 -6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.474 -4.401 -5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.877 -5.353 -6.456 1.00 0.00 H new ATOM 1100 N GLU A 70 6.655 -6.439 -4.292 1.00 0.00 N ATOM 1101 CA GLU A 70 7.132 -7.788 -4.574 1.00 0.00 C ATOM 1102 C GLU A 70 7.284 -8.592 -3.286 1.00 0.00 C ATOM 1103 O GLU A 70 7.773 -8.097 -2.270 1.00 0.00 O ATOM 1104 CB GLU A 70 8.468 -7.736 -5.317 1.00 0.00 C ATOM 1105 CG GLU A 70 9.377 -8.916 -5.018 1.00 0.00 C ATOM 1106 CD GLU A 70 10.324 -9.227 -6.161 1.00 0.00 C ATOM 1107 OE1 GLU A 70 11.229 -8.408 -6.423 1.00 0.00 O ATOM 1108 OE2 GLU A 70 10.160 -10.291 -6.794 1.00 0.00 O ATOM 0 H GLU A 70 6.839 -6.116 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 70 6.393 -8.282 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.276 -7.698 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.985 -6.814 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.956 -8.705 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.768 -9.795 -4.806 1.00 0.00 H new ATOM 1115 N PRO A 71 6.856 -9.862 -3.327 1.00 0.00 N ATOM 1116 CA PRO A 71 6.272 -10.462 -4.531 1.00 0.00 C ATOM 1117 C PRO A 71 4.899 -9.885 -4.858 1.00 0.00 C ATOM 1118 O PRO A 71 4.126 -9.550 -3.961 1.00 0.00 O ATOM 1119 CB PRO A 71 6.156 -11.944 -4.168 1.00 0.00 C ATOM 1120 CG PRO A 71 6.071 -11.965 -2.681 1.00 0.00 C ATOM 1121 CD PRO A 71 6.908 -10.811 -2.202 1.00 0.00 C ATOM 0 HA PRO A 71 6.879 -10.272 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.273 -12.395 -4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.019 -12.507 -4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.038 -11.863 -2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.443 -12.909 -2.282 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.505 -10.374 -1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.930 -11.119 -1.983 1.00 0.00 H new ATOM 1129 N ALA A 72 4.601 -9.772 -6.149 1.00 0.00 N ATOM 1130 CA ALA A 72 3.320 -9.238 -6.594 1.00 0.00 C ATOM 1131 C ALA A 72 2.175 -10.171 -6.214 1.00 0.00 C ATOM 1132 O ALA A 72 1.040 -9.731 -6.027 1.00 0.00 O ATOM 1133 CB ALA A 72 3.339 -9.007 -8.097 1.00 0.00 C ATOM 0 H ALA A 72 5.230 -10.043 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 72 3.158 -8.284 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.376 -8.608 -8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.127 -8.296 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.528 -9.951 -8.608 1.00 0.00 H new ATOM 1139 N ILE A 73 2.480 -11.460 -6.103 1.00 0.00 N ATOM 1140 CA ILE A 73 1.475 -12.453 -5.746 1.00 0.00 C ATOM 1141 C ILE A 73 2.084 -13.575 -4.911 1.00 0.00 C ATOM 1142 O ILE A 73 3.265 -13.894 -5.048 1.00 0.00 O ATOM 1143 CB ILE A 73 0.814 -13.061 -6.997 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.137 -14.191 -6.600 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.874 -13.568 -7.963 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.006 -14.678 -7.738 1.00 0.00 C ATOM 0 H ILE A 73 3.414 -11.840 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 73 0.716 -11.936 -5.159 1.00 0.00 H new ATOM 0 HB ILE A 73 0.236 -12.284 -7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.446 -15.028 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.776 -13.848 -5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.391 -13.995 -8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.515 -12.740 -8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.477 -14.333 -7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.655 -15.479 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.616 -13.854 -8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.374 -15.052 -8.544 1.00 0.00 H new ATOM 1158 N GLY A 74 1.269 -14.172 -4.047 1.00 0.00 N ATOM 1159 CA GLY A 74 1.745 -15.253 -3.204 1.00 0.00 C ATOM 1160 C GLY A 74 0.629 -15.902 -2.408 1.00 0.00 C ATOM 1161 O GLY A 74 -0.539 -15.542 -2.555 1.00 0.00 O ATOM 0 H GLY A 74 0.288 -13.926 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.230 -16.007 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.501 -14.869 -2.518 1.00 0.00 H new ATOM 1165 N THR A 75 0.989 -16.863 -1.563 1.00 0.00 N ATOM 1166 CA THR A 75 0.010 -17.565 -0.743 1.00 0.00 C ATOM 1167 C THR A 75 0.449 -17.616 0.716 1.00 0.00 C ATOM 1168 O THR A 75 1.629 -17.807 1.013 1.00 0.00 O ATOM 1169 CB THR A 75 -0.219 -19.002 -1.249 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.038 -19.656 -1.452 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.011 -18.999 -2.547 1.00 0.00 C ATOM 0 H THR A 75 1.952 -17.173 -1.429 1.00 0.00 H new ATOM 0 HA THR A 75 -0.924 -17.007 -0.819 1.00 0.00 H new ATOM 0 HB THR A 75 -0.791 -19.542 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.884 -20.569 -1.772 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.160 -20.025 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.979 -18.527 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.462 -18.443 -3.307 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.506 -17.445 1.623 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.217 -17.472 3.053 1.00 0.00 C ATOM 1181 C LEU A 76 -1.064 -18.525 3.759 1.00 0.00 C ATOM 1182 O LEU A 76 -2.215 -18.758 3.394 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.473 -16.096 3.671 1.00 0.00 C ATOM 1184 CG LEU A 76 0.210 -15.825 5.012 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.701 -16.110 4.918 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.033 -14.390 5.454 1.00 0.00 C ATOM 0 H LEU A 76 -1.487 -17.286 1.394 1.00 0.00 H new ATOM 0 HA LEU A 76 0.834 -17.731 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.149 -15.335 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.548 -15.973 3.802 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.221 -16.492 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.171 -15.912 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.855 -17.154 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.147 -15.468 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.460 -14.215 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.370 -13.706 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.104 -14.219 5.562 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.485 -19.159 4.775 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.188 -20.187 5.534 1.00 0.00 C ATOM 1200 C ASN A 77 -2.064 -19.561 6.616 1.00 0.00 C ATOM 1201 O ASN A 77 -1.853 -18.416 7.014 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.187 -21.154 6.169 1.00 0.00 C ATOM 1203 CG ASN A 77 0.789 -21.723 5.157 1.00 0.00 C ATOM 1204 OD1 ASN A 77 0.835 -21.284 4.008 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.574 -22.706 5.581 1.00 0.00 N ATOM 0 H ASN A 77 0.468 -18.979 5.091 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.829 -20.738 4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.367 -20.637 6.953 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.728 -21.971 6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.250 -23.129 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.501 -23.038 6.543 1.00 0.00 H new ATOM 1212 N VAL A 78 -3.047 -20.322 7.087 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.953 -19.844 8.123 1.00 0.00 C ATOM 1214 C VAL A 78 -3.275 -19.840 9.489 1.00 0.00 C ATOM 1215 O VAL A 78 -3.939 -19.791 10.523 1.00 0.00 O ATOM 1216 CB VAL A 78 -5.227 -20.707 8.197 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.991 -20.645 6.884 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -4.876 -22.144 8.552 1.00 0.00 C ATOM 0 H VAL A 78 -3.236 -21.272 6.767 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.229 -18.824 7.855 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.870 -20.309 8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.888 -21.261 6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.275 -19.613 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.359 -21.017 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.787 -22.740 8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.213 -22.555 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.375 -22.168 9.520 1.00 0.00 H new ATOM 1228 N GLY A 79 -1.946 -19.892 9.483 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.199 -19.894 10.727 1.00 0.00 C ATOM 1230 C GLY A 79 0.230 -19.422 10.546 1.00 0.00 C ATOM 1231 O GLY A 79 1.098 -19.725 11.363 1.00 0.00 O ATOM 0 H GLY A 79 -1.374 -19.933 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.702 -19.252 11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.196 -20.901 11.144 1.00 0.00 H new ATOM 1235 N GLU A 80 0.474 -18.679 9.471 1.00 0.00 N ATOM 1236 CA GLU A 80 1.809 -18.167 9.185 1.00 0.00 C ATOM 1237 C GLU A 80 1.737 -16.769 8.577 1.00 0.00 C ATOM 1238 O GLU A 80 0.750 -16.410 7.934 1.00 0.00 O ATOM 1239 CB GLU A 80 2.548 -19.110 8.234 1.00 0.00 C ATOM 1240 CG GLU A 80 2.609 -20.546 8.727 1.00 0.00 C ATOM 1241 CD GLU A 80 3.704 -20.765 9.753 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.888 -20.573 9.407 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.376 -21.129 10.902 1.00 0.00 O ATOM 0 H GLU A 80 -0.234 -18.419 8.785 1.00 0.00 H new ATOM 0 HA GLU A 80 2.357 -18.108 10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.057 -19.089 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.563 -18.742 8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.648 -20.817 9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.773 -21.211 7.879 1.00 0.00 H new ATOM 1250 N SER A 81 2.788 -15.984 8.786 1.00 0.00 N ATOM 1251 CA SER A 81 2.843 -14.624 8.263 1.00 0.00 C ATOM 1252 C SER A 81 3.993 -14.468 7.273 1.00 0.00 C ATOM 1253 O SER A 81 4.840 -15.351 7.145 1.00 0.00 O ATOM 1254 CB SER A 81 3.002 -13.620 9.408 1.00 0.00 C ATOM 1255 OG SER A 81 2.258 -14.022 10.545 1.00 0.00 O ATOM 0 H SER A 81 3.614 -16.266 9.314 1.00 0.00 H new ATOM 0 HA SER A 81 1.907 -14.425 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.056 -13.529 9.672 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.669 -12.635 9.081 1.00 0.00 H new ATOM 0 HG SER A 81 2.377 -13.366 11.263 1.00 0.00 H new ATOM 1261 N MET A 82 4.014 -13.339 6.573 1.00 0.00 N ATOM 1262 CA MET A 82 5.060 -13.066 5.594 1.00 0.00 C ATOM 1263 C MET A 82 5.325 -11.568 5.484 1.00 0.00 C ATOM 1264 O MET A 82 4.527 -10.753 5.944 1.00 0.00 O ATOM 1265 CB MET A 82 4.667 -13.628 4.226 1.00 0.00 C ATOM 1266 CG MET A 82 3.437 -12.966 3.628 1.00 0.00 C ATOM 1267 SD MET A 82 2.740 -13.906 2.256 1.00 0.00 S ATOM 1268 CE MET A 82 3.670 -13.236 0.880 1.00 0.00 C ATOM 0 H MET A 82 3.319 -12.598 6.665 1.00 0.00 H new ATOM 0 HA MET A 82 5.974 -13.555 5.931 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.504 -13.508 3.539 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.484 -14.698 4.321 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.680 -12.847 4.403 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.699 -11.966 3.282 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.981 -12.878 0.115 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.288 -12.408 1.227 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.308 -14.013 0.459 1.00 0.00 H new ATOM 1278 N GLN A 83 6.451 -11.214 4.873 1.00 0.00 N ATOM 1279 CA GLN A 83 6.821 -9.813 4.705 1.00 0.00 C ATOM 1280 C GLN A 83 6.788 -9.415 3.233 1.00 0.00 C ATOM 1281 O GLN A 83 7.306 -10.129 2.374 1.00 0.00 O ATOM 1282 CB GLN A 83 8.214 -9.558 5.283 1.00 0.00 C ATOM 1283 CG GLN A 83 8.230 -9.435 6.798 1.00 0.00 C ATOM 1284 CD GLN A 83 9.626 -9.544 7.378 1.00 0.00 C ATOM 1285 OE1 GLN A 83 9.907 -10.427 8.189 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.511 -8.644 6.964 1.00 0.00 N ATOM 0 H GLN A 83 7.123 -11.877 4.486 1.00 0.00 H new ATOM 0 HA GLN A 83 6.095 -9.204 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.876 -10.371 4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.617 -8.643 4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.795 -8.478 7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.600 -10.213 7.229 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.235 -7.929 6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.467 -8.668 7.320 1.00 0.00 H new ATOM 1295 N LEU A 84 6.175 -8.271 2.949 1.00 0.00 N ATOM 1296 CA LEU A 84 6.074 -7.777 1.580 1.00 0.00 C ATOM 1297 C LEU A 84 6.848 -6.473 1.413 1.00 0.00 C ATOM 1298 O LEU A 84 6.649 -5.522 2.167 1.00 0.00 O ATOM 1299 CB LEU A 84 4.608 -7.565 1.200 1.00 0.00 C ATOM 1300 CG LEU A 84 3.722 -8.811 1.218 1.00 0.00 C ATOM 1301 CD1 LEU A 84 2.256 -8.426 1.100 1.00 0.00 C ATOM 1302 CD2 LEU A 84 4.118 -9.763 0.099 1.00 0.00 C ATOM 0 H LEU A 84 5.741 -7.668 3.648 1.00 0.00 H new ATOM 0 HA LEU A 84 6.510 -8.525 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.180 -6.830 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.572 -7.133 0.200 1.00 0.00 H new ATOM 0 HG LEU A 84 3.866 -9.322 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.641 -9.326 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.980 -7.784 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.094 -7.891 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.477 -10.644 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.004 -9.262 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.157 -10.066 0.230 1.00 0.00 H new ATOM 1314 N GLU A 85 7.730 -6.437 0.418 1.00 0.00 N ATOM 1315 CA GLU A 85 8.532 -5.249 0.152 1.00 0.00 C ATOM 1316 C GLU A 85 7.896 -4.397 -0.942 1.00 0.00 C ATOM 1317 O GLU A 85 7.997 -4.713 -2.128 1.00 0.00 O ATOM 1318 CB GLU A 85 9.952 -5.647 -0.256 1.00 0.00 C ATOM 1319 CG GLU A 85 10.904 -5.795 0.919 1.00 0.00 C ATOM 1320 CD GLU A 85 12.191 -6.504 0.541 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.220 -7.751 0.601 1.00 0.00 O ATOM 1322 OE2 GLU A 85 13.168 -5.812 0.186 1.00 0.00 O ATOM 0 H GLU A 85 7.907 -7.216 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 85 8.577 -4.659 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.913 -6.589 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.348 -4.897 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.140 -4.808 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.408 -6.350 1.716 1.00 0.00 H new ATOM 1329 N VAL A 86 7.240 -3.315 -0.535 1.00 0.00 N ATOM 1330 CA VAL A 86 6.588 -2.416 -1.480 1.00 0.00 C ATOM 1331 C VAL A 86 7.551 -1.342 -1.972 1.00 0.00 C ATOM 1332 O VAL A 86 8.067 -0.550 -1.185 1.00 0.00 O ATOM 1333 CB VAL A 86 5.357 -1.736 -0.850 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.852 -0.613 -1.742 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.260 -2.757 -0.591 1.00 0.00 C ATOM 0 H VAL A 86 7.146 -3.040 0.443 1.00 0.00 H new ATOM 0 HA VAL A 86 6.266 -3.025 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 86 5.652 -1.303 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.983 -0.145 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.639 0.130 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.572 -1.018 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.398 -2.260 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.965 -3.221 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.629 -3.523 0.091 1.00 0.00 H new ATOM 1345 N GLU A 87 7.789 -1.322 -3.280 1.00 0.00 N ATOM 1346 CA GLU A 87 8.692 -0.345 -3.877 1.00 0.00 C ATOM 1347 C GLU A 87 7.912 0.829 -4.463 1.00 0.00 C ATOM 1348 O GLU A 87 6.907 0.640 -5.148 1.00 0.00 O ATOM 1349 CB GLU A 87 9.542 -1.002 -4.967 1.00 0.00 C ATOM 1350 CG GLU A 87 10.849 -0.277 -5.239 1.00 0.00 C ATOM 1351 CD GLU A 87 11.402 -0.570 -6.620 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.229 -1.710 -7.098 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.008 0.341 -7.222 1.00 0.00 O ATOM 0 H GLU A 87 7.369 -1.971 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 87 9.348 0.032 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.760 -2.030 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.963 -1.048 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.693 0.797 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.584 -0.567 -4.488 1.00 0.00 H new ATOM 1360 N PHE A 88 8.384 2.040 -4.189 1.00 0.00 N ATOM 1361 CA PHE A 88 7.731 3.245 -4.687 1.00 0.00 C ATOM 1362 C PHE A 88 8.726 4.398 -4.795 1.00 0.00 C ATOM 1363 O PHE A 88 9.157 4.954 -3.786 1.00 0.00 O ATOM 1364 CB PHE A 88 6.573 3.641 -3.768 1.00 0.00 C ATOM 1365 CG PHE A 88 6.202 5.093 -3.862 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.325 5.536 -4.840 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.731 6.016 -2.974 1.00 0.00 C ATOM 1368 CE1 PHE A 88 4.982 6.872 -4.929 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.390 7.353 -3.058 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.516 7.781 -4.038 1.00 0.00 C ATOM 0 H PHE A 88 9.216 2.213 -3.625 1.00 0.00 H new ATOM 0 HA PHE A 88 7.340 3.031 -5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.701 3.035 -4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.842 3.409 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.905 4.829 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.417 5.687 -2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.297 7.204 -5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.807 8.062 -2.358 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.251 8.826 -4.107 1.00 0.00 H new ATOM 1380 N GLU A 89 9.085 4.748 -6.026 1.00 0.00 N ATOM 1381 CA GLU A 89 10.030 5.833 -6.265 1.00 0.00 C ATOM 1382 C GLU A 89 9.321 7.054 -6.843 1.00 0.00 C ATOM 1383 O GLU A 89 9.031 7.128 -8.037 1.00 0.00 O ATOM 1384 CB GLU A 89 11.136 5.374 -7.218 1.00 0.00 C ATOM 1385 CG GLU A 89 12.028 6.504 -7.704 1.00 0.00 C ATOM 1386 CD GLU A 89 12.523 6.288 -9.121 1.00 0.00 C ATOM 1387 OE1 GLU A 89 13.460 5.484 -9.305 1.00 0.00 O ATOM 1388 OE2 GLU A 89 11.974 6.924 -10.045 1.00 0.00 O ATOM 0 H GLU A 89 8.737 4.297 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 89 10.475 6.111 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.751 4.628 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.682 4.885 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.477 7.443 -7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.883 6.600 -7.035 1.00 0.00 H new ATOM 1395 N PRO A 90 9.034 8.037 -5.975 1.00 0.00 N ATOM 1396 CA PRO A 90 8.356 9.273 -6.375 1.00 0.00 C ATOM 1397 C PRO A 90 9.238 10.164 -7.243 1.00 0.00 C ATOM 1398 O PRO A 90 9.789 11.157 -6.769 1.00 0.00 O ATOM 1399 CB PRO A 90 8.052 9.958 -5.041 1.00 0.00 C ATOM 1400 CG PRO A 90 9.079 9.429 -4.100 1.00 0.00 C ATOM 1401 CD PRO A 90 9.351 8.016 -4.537 1.00 0.00 C ATOM 0 HA PRO A 90 7.471 9.075 -6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.117 11.042 -5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.044 9.726 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.987 10.030 -4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.718 9.457 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.388 7.733 -4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.728 7.302 -3.999 1.00 0.00 H new ATOM 1409 N GLN A 91 9.367 9.802 -8.516 1.00 0.00 N ATOM 1410 CA GLN A 91 10.183 10.569 -9.449 1.00 0.00 C ATOM 1411 C GLN A 91 9.752 12.032 -9.473 1.00 0.00 C ATOM 1412 O GLN A 91 10.554 12.921 -9.758 1.00 0.00 O ATOM 1413 CB GLN A 91 10.086 9.973 -10.854 1.00 0.00 C ATOM 1414 CG GLN A 91 10.811 10.788 -11.912 1.00 0.00 C ATOM 1415 CD GLN A 91 12.269 10.398 -12.052 1.00 0.00 C ATOM 1416 OE1 GLN A 91 12.696 9.912 -13.100 1.00 0.00 O ATOM 1417 NE2 GLN A 91 13.043 10.610 -10.994 1.00 0.00 N ATOM 0 H GLN A 91 8.917 8.983 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 91 11.219 10.520 -9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.497 8.963 -10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.035 9.886 -11.131 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.310 10.658 -12.871 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.745 11.846 -11.659 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.647 11.015 -10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.033 10.368 -11.030 1.00 0.00 H new ATOM 1426 N SER A 92 8.480 12.274 -9.174 1.00 0.00 N ATOM 1427 CA SER A 92 7.941 13.629 -9.165 1.00 0.00 C ATOM 1428 C SER A 92 7.697 14.108 -7.738 1.00 0.00 C ATOM 1429 O SER A 92 6.968 13.474 -6.974 1.00 0.00 O ATOM 1430 CB SER A 92 6.637 13.687 -9.965 1.00 0.00 C ATOM 1431 OG SER A 92 6.828 13.213 -11.286 1.00 0.00 O ATOM 0 H SER A 92 7.803 11.549 -8.935 1.00 0.00 H new ATOM 0 HA SER A 92 8.674 14.288 -9.630 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.874 13.088 -9.467 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.269 14.713 -9.993 1.00 0.00 H new ATOM 0 HG SER A 92 5.980 13.259 -11.776 1.00 0.00 H new ATOM 1437 N VAL A 93 8.312 15.232 -7.384 1.00 0.00 N ATOM 1438 CA VAL A 93 8.162 15.798 -6.049 1.00 0.00 C ATOM 1439 C VAL A 93 6.738 16.292 -5.818 1.00 0.00 C ATOM 1440 O VAL A 93 6.159 16.969 -6.667 1.00 0.00 O ATOM 1441 CB VAL A 93 9.141 16.964 -5.820 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.011 17.997 -6.930 1.00 0.00 C ATOM 1443 CG2 VAL A 93 8.904 17.600 -4.459 1.00 0.00 C ATOM 0 H VAL A 93 8.919 15.769 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 93 8.386 15.001 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 93 10.157 16.570 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.711 18.813 -6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.235 17.531 -7.889 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.994 18.388 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.605 18.422 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 93 7.884 17.980 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.053 16.854 -3.678 1.00 0.00 H new ATOM 1453 N GLY A 94 6.178 15.949 -4.662 1.00 0.00 N ATOM 1454 CA GLY A 94 4.826 16.367 -4.340 1.00 0.00 C ATOM 1455 C GLY A 94 4.022 15.266 -3.677 1.00 0.00 C ATOM 1456 O GLY A 94 4.315 14.083 -3.850 1.00 0.00 O ATOM 0 H GLY A 94 6.636 15.389 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.864 17.233 -3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.320 16.684 -5.252 1.00 0.00 H new ATOM 1460 N ASP A 95 3.005 15.655 -2.915 1.00 0.00 N ATOM 1461 CA ASP A 95 2.156 14.692 -2.223 1.00 0.00 C ATOM 1462 C ASP A 95 1.605 13.656 -3.197 1.00 0.00 C ATOM 1463 O ASP A 95 0.766 13.968 -4.043 1.00 0.00 O ATOM 1464 CB ASP A 95 1.005 15.410 -1.518 1.00 0.00 C ATOM 1465 CG ASP A 95 0.214 16.300 -2.457 1.00 0.00 C ATOM 1466 OD1 ASP A 95 -0.670 15.776 -3.166 1.00 0.00 O ATOM 1467 OD2 ASP A 95 0.481 17.520 -2.485 1.00 0.00 O ATOM 0 H ASP A 95 2.749 16.630 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 95 2.764 14.178 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.338 14.671 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.403 16.012 -0.701 1.00 0.00 H new ATOM 1472 N HIS A 96 2.082 12.421 -3.073 1.00 0.00 N ATOM 1473 CA HIS A 96 1.638 11.338 -3.943 1.00 0.00 C ATOM 1474 C HIS A 96 0.764 10.350 -3.176 1.00 0.00 C ATOM 1475 O HIS A 96 1.074 9.981 -2.043 1.00 0.00 O ATOM 1476 CB HIS A 96 2.841 10.612 -4.545 1.00 0.00 C ATOM 1477 CG HIS A 96 3.425 11.307 -5.736 1.00 0.00 C ATOM 1478 ND1 HIS A 96 2.900 11.194 -7.006 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.495 12.129 -5.844 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.623 11.915 -7.844 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.597 12.493 -7.165 1.00 0.00 N ATOM 0 H HIS A 96 2.776 12.146 -2.378 1.00 0.00 H new ATOM 0 HA HIS A 96 1.046 11.772 -4.749 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.612 10.508 -3.781 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.540 9.605 -4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.147 12.441 -5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.447 12.015 -8.905 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.309 13.109 -7.557 1.00 0.00 H new ATOM 1490 N SER A 97 -0.330 9.926 -3.801 1.00 0.00 N ATOM 1491 CA SER A 97 -1.251 8.984 -3.176 1.00 0.00 C ATOM 1492 C SER A 97 -1.819 8.014 -4.207 1.00 0.00 C ATOM 1493 O SER A 97 -2.159 8.406 -5.323 1.00 0.00 O ATOM 1494 CB SER A 97 -2.390 9.735 -2.484 1.00 0.00 C ATOM 1495 OG SER A 97 -3.160 10.470 -3.420 1.00 0.00 O ATOM 0 H SER A 97 -0.600 10.220 -4.740 1.00 0.00 H new ATOM 0 HA SER A 97 -0.697 8.412 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.030 9.027 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.981 10.412 -1.734 1.00 0.00 H new ATOM 0 HG SER A 97 -3.882 10.939 -2.953 1.00 0.00 H new ATOM 1501 N GLY A 98 -1.919 6.745 -3.825 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.446 5.737 -4.727 1.00 0.00 C ATOM 1503 C GLY A 98 -3.406 4.787 -4.038 1.00 0.00 C ATOM 1504 O GLY A 98 -3.970 5.113 -2.994 1.00 0.00 O ATOM 0 H GLY A 98 -1.644 6.396 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.957 6.227 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.620 5.168 -5.153 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.592 3.609 -4.624 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.492 2.610 -4.061 1.00 0.00 C ATOM 1510 C ARG A 99 -4.126 1.211 -4.550 1.00 0.00 C ATOM 1511 O ARG A 99 -4.027 0.969 -5.754 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.941 2.929 -4.435 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.960 2.045 -3.735 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.311 2.734 -3.622 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.256 3.908 -2.755 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.298 4.365 -2.070 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -10.470 3.750 -2.151 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -9.169 5.439 -1.302 1.00 0.00 N ATOM 0 H ARG A 99 -3.132 3.323 -5.488 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.390 2.636 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.149 3.971 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.061 2.823 -5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.072 1.111 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.597 1.787 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.650 3.032 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.046 2.030 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.369 4.404 -2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.573 2.924 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.269 4.103 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.269 5.915 -1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.970 5.789 -0.776 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.926 0.295 -3.609 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.570 -1.080 -3.943 1.00 0.00 C ATOM 1534 C LEU A 100 -4.786 -1.995 -3.849 1.00 0.00 C ATOM 1535 O LEU A 100 -5.268 -2.293 -2.756 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.465 -1.582 -3.012 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.131 -0.839 -3.090 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.232 -1.233 -1.929 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.443 -1.116 -4.418 1.00 0.00 C ATOM 0 H LEU A 100 -4.004 0.479 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.205 -1.096 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.829 -1.527 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.285 -2.635 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.328 0.231 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.713 -0.694 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.722 -0.982 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.042 -2.306 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.505 -0.579 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.258 -2.186 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.082 -0.782 -5.235 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.276 -2.440 -5.002 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.433 -3.324 -5.048 1.00 0.00 C ATOM 1553 C ILE A 101 -6.009 -4.788 -5.003 1.00 0.00 C ATOM 1554 O ILE A 101 -5.552 -5.344 -6.002 1.00 0.00 O ATOM 1555 CB ILE A 101 -7.275 -3.084 -6.316 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.780 -1.640 -6.353 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.440 -4.061 -6.371 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -8.395 -1.249 -7.679 1.00 0.00 C ATOM 0 H ILE A 101 -4.889 -2.203 -5.916 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.039 -3.097 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.645 -3.251 -7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.519 -1.502 -5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.950 -0.968 -6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.025 -3.879 -7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.058 -5.082 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.072 -3.923 -5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.731 -0.213 -7.633 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.652 -1.355 -8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.245 -1.897 -7.891 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.165 -5.408 -3.838 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.801 -6.809 -3.663 1.00 0.00 C ATOM 1572 C VAL A 102 -6.960 -7.728 -4.029 1.00 0.00 C ATOM 1573 O VAL A 102 -7.911 -7.880 -3.261 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.367 -7.099 -2.213 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.817 -8.512 -2.093 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.341 -6.077 -1.750 1.00 0.00 C ATOM 0 H VAL A 102 -6.541 -4.962 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.962 -7.004 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.241 -7.020 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.516 -8.699 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.587 -9.228 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.954 -8.623 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.046 -6.297 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.465 -6.122 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.776 -5.078 -1.796 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.875 -8.340 -5.205 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.918 -9.245 -5.674 1.00 0.00 C ATOM 1588 C CYS A 103 -7.740 -10.636 -5.075 1.00 0.00 C ATOM 1589 O CYS A 103 -6.637 -11.185 -5.070 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.902 -9.328 -7.201 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.951 -8.101 -8.017 1.00 0.00 S ATOM 0 H CYS A 103 -6.094 -8.226 -5.851 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.881 -8.850 -5.349 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.877 -9.204 -7.550 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.224 -10.325 -7.504 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.870 -8.249 -9.306 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.831 -11.201 -4.570 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.794 -12.527 -3.965 1.00 0.00 C ATOM 1599 C TYR A 104 -9.212 -13.597 -4.969 1.00 0.00 C ATOM 1600 O TYR A 104 -10.053 -13.355 -5.836 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.709 -12.577 -2.740 1.00 0.00 C ATOM 1602 CG TYR A 104 -9.100 -11.954 -1.504 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.024 -12.551 -0.859 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -9.602 -10.769 -0.980 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.465 -11.986 0.271 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -9.048 -10.196 0.148 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.980 -10.808 0.770 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.427 -10.241 1.895 1.00 0.00 O ATOM 0 H TYR A 104 -9.752 -10.762 -4.568 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.769 -12.727 -3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.642 -12.064 -2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.960 -13.616 -2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.617 -13.473 -1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -10.440 -10.288 -1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.630 -12.464 0.761 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.449 -9.273 0.541 1.00 0.00 H new ATOM 0 HH TYR A 104 -8.136 -10.029 2.537 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.620 -14.779 -4.846 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.931 -15.887 -5.741 1.00 0.00 C ATOM 1620 C ASP A 105 -10.432 -16.156 -5.773 1.00 0.00 C ATOM 1621 O ASP A 105 -10.954 -16.715 -6.737 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.183 -17.148 -5.305 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.142 -18.203 -6.394 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -8.992 -18.147 -7.306 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -7.259 -19.084 -6.333 1.00 0.00 O ATOM 0 H ASP A 105 -7.921 -14.995 -4.135 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.609 -15.612 -6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.164 -16.883 -5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.663 -17.563 -4.419 1.00 0.00 H new ATOM 1630 N THR A 106 -11.122 -15.754 -4.710 1.00 0.00 N ATOM 1631 CA THR A 106 -12.563 -15.953 -4.614 1.00 0.00 C ATOM 1632 C THR A 106 -13.319 -14.884 -5.396 1.00 0.00 C ATOM 1633 O THR A 106 -14.242 -15.189 -6.149 1.00 0.00 O ATOM 1634 CB THR A 106 -13.037 -15.933 -3.149 1.00 0.00 C ATOM 1635 OG1 THR A 106 -12.880 -14.619 -2.601 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.253 -16.933 -2.312 1.00 0.00 C ATOM 0 H THR A 106 -10.706 -15.289 -3.903 1.00 0.00 H new ATOM 0 HA THR A 106 -12.776 -16.932 -5.043 1.00 0.00 H new ATOM 0 HB THR A 106 -14.090 -16.212 -3.128 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.747 -14.292 -2.282 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.606 -16.900 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.398 -17.936 -2.713 1.00 0.00 H new ATOM 0 HG23 THR A 106 -11.193 -16.680 -2.341 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.920 -13.629 -5.211 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.570 -12.534 -5.906 1.00 0.00 C ATOM 1646 C GLY A 107 -13.427 -11.215 -5.173 1.00 0.00 C ATOM 1647 O GLY A 107 -13.142 -10.186 -5.785 1.00 0.00 O ATOM 0 H GLY A 107 -12.158 -13.352 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.145 -12.439 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.628 -12.764 -6.030 1.00 0.00 H new ATOM 1651 N GLU A 108 -13.627 -11.246 -3.859 1.00 0.00 N ATOM 1652 CA GLU A 108 -13.521 -10.042 -3.043 1.00 0.00 C ATOM 1653 C GLU A 108 -12.177 -9.354 -3.261 1.00 0.00 C ATOM 1654 O GLU A 108 -11.179 -10.001 -3.580 1.00 0.00 O ATOM 1655 CB GLU A 108 -13.696 -10.386 -1.562 1.00 0.00 C ATOM 1656 CG GLU A 108 -15.113 -10.797 -1.197 1.00 0.00 C ATOM 1657 CD GLU A 108 -15.578 -12.025 -1.956 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -15.260 -13.149 -1.517 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -16.260 -11.860 -2.990 1.00 0.00 O ATOM 0 H GLU A 108 -13.863 -12.090 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.313 -9.358 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -13.013 -11.195 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.411 -9.523 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -15.166 -10.995 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -15.792 -9.969 -1.402 1.00 0.00 H new ATOM 1666 N LYS A 109 -12.158 -8.037 -3.086 1.00 0.00 N ATOM 1667 CA LYS A 109 -10.937 -7.258 -3.262 1.00 0.00 C ATOM 1668 C LYS A 109 -10.765 -6.253 -2.128 1.00 0.00 C ATOM 1669 O LYS A 109 -11.744 -5.769 -1.560 1.00 0.00 O ATOM 1670 CB LYS A 109 -10.964 -6.527 -4.606 1.00 0.00 C ATOM 1671 CG LYS A 109 -12.317 -5.925 -4.945 1.00 0.00 C ATOM 1672 CD LYS A 109 -12.199 -4.858 -6.020 1.00 0.00 C ATOM 1673 CE LYS A 109 -13.504 -4.689 -6.782 1.00 0.00 C ATOM 1674 NZ LYS A 109 -14.571 -4.095 -5.930 1.00 0.00 N ATOM 0 H LYS A 109 -12.975 -7.486 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.091 -7.945 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -10.216 -5.734 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.678 -7.223 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.991 -6.711 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.758 -5.491 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.918 -3.909 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.403 -5.126 -6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.337 -4.053 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.835 -5.658 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.444 -3.996 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.748 -4.714 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.266 -3.159 -5.594 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.514 -5.943 -1.804 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.213 -4.993 -0.739 1.00 0.00 C ATOM 1690 C VAL A 110 -8.551 -3.737 -1.294 1.00 0.00 C ATOM 1691 O VAL A 110 -7.742 -3.805 -2.220 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.292 -5.617 0.326 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -8.144 -4.683 1.517 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.826 -6.972 0.764 1.00 0.00 C ATOM 0 H VAL A 110 -8.692 -6.336 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.163 -4.726 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.306 -5.766 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.490 -5.141 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.713 -3.738 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.123 -4.500 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.163 -7.398 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.824 -6.851 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.875 -7.639 -0.096 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.901 -2.589 -0.723 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.341 -1.315 -1.161 1.00 0.00 C ATOM 1706 C PHE A 111 -7.462 -0.705 -0.073 1.00 0.00 C ATOM 1707 O PHE A 111 -7.885 -0.558 1.074 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.462 -0.342 -1.532 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.297 -0.805 -2.692 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -11.416 -1.595 -2.485 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -9.963 -0.449 -3.988 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -12.187 -2.022 -3.550 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -10.730 -0.873 -5.057 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.843 -1.661 -4.838 1.00 0.00 C ATOM 0 H PHE A 111 -9.570 -2.514 0.044 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.724 -1.500 -2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.107 -0.196 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.026 0.628 -1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.689 -1.881 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.094 0.167 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -13.057 -2.637 -3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.459 -0.588 -6.063 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.443 -1.994 -5.672 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.235 -0.351 -0.441 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.295 0.244 0.501 1.00 0.00 C ATOM 1726 C VAL A 112 -4.617 1.470 -0.099 1.00 0.00 C ATOM 1727 O VAL A 112 -3.769 1.353 -0.983 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.215 -0.767 0.931 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.205 -0.108 1.857 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.853 -1.976 1.599 1.00 0.00 C ATOM 0 H VAL A 112 -5.868 -0.466 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.872 0.543 1.376 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.687 -1.109 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.450 -0.838 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.725 0.723 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.715 0.264 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.076 -2.680 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.408 -1.654 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.534 -2.461 0.899 1.00 0.00 H new ATOM 1740 N SER A 113 -4.996 2.647 0.390 1.00 0.00 N ATOM 1741 CA SER A 113 -4.427 3.897 -0.101 1.00 0.00 C ATOM 1742 C SER A 113 -2.907 3.892 0.034 1.00 0.00 C ATOM 1743 O SER A 113 -2.351 3.213 0.898 1.00 0.00 O ATOM 1744 CB SER A 113 -5.014 5.084 0.665 1.00 0.00 C ATOM 1745 OG SER A 113 -6.371 5.297 0.315 1.00 0.00 O ATOM 0 H SER A 113 -5.694 2.761 1.125 1.00 0.00 H new ATOM 0 HA SER A 113 -4.680 3.993 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.936 4.903 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.435 5.982 0.450 1.00 0.00 H new ATOM 0 HG SER A 113 -6.723 6.060 0.819 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.241 4.654 -0.826 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.785 4.739 -0.805 1.00 0.00 C ATOM 1753 C LEU A 114 -0.327 6.163 -0.509 1.00 0.00 C ATOM 1754 O LEU A 114 -1.073 7.121 -0.713 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.208 4.272 -2.143 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.496 2.821 -2.529 1.00 0.00 C ATOM 1757 CD1 LEU A 114 -0.002 2.536 -3.938 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.145 1.866 -1.533 1.00 0.00 C ATOM 0 H LEU A 114 -2.686 5.222 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.419 4.088 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.596 4.920 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.873 4.413 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.575 2.666 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.215 1.499 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.509 3.196 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.073 2.708 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.071 0.838 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.224 2.021 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.258 2.054 -0.538 1.00 0.00 H new ATOM 1770 N TYR A 115 0.905 6.295 -0.030 1.00 0.00 N ATOM 1771 CA TYR A 115 1.463 7.602 0.294 1.00 0.00 C ATOM 1772 C TYR A 115 2.974 7.617 0.082 1.00 0.00 C ATOM 1773 O TYR A 115 3.594 6.575 -0.124 1.00 0.00 O ATOM 1774 CB TYR A 115 1.137 7.975 1.741 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.018 8.943 1.871 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.128 10.280 1.524 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.256 8.519 2.340 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.925 11.167 1.642 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.314 9.399 2.460 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.143 10.722 2.110 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.194 11.602 2.228 1.00 0.00 O ATOM 0 H TYR A 115 1.536 5.513 0.142 1.00 0.00 H new ATOM 0 HA TYR A 115 1.013 8.336 -0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.904 7.067 2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.022 8.414 2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.080 10.632 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.393 7.484 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.794 12.204 1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.269 9.053 2.826 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.980 11.128 2.571 1.00 0.00 H new ATOM 1791 N GLY A 116 3.561 8.810 0.134 1.00 0.00 N ATOM 1792 CA GLY A 116 4.994 8.940 -0.053 1.00 0.00 C ATOM 1793 C GLY A 116 5.410 10.363 -0.370 1.00 0.00 C ATOM 1794 O GLY A 116 5.945 10.635 -1.445 1.00 0.00 O ATOM 0 H GLY A 116 3.069 9.688 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.507 8.607 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.313 8.283 -0.862 1.00 0.00 H new ATOM 1798 N ALA A 117 5.163 11.272 0.566 1.00 0.00 N ATOM 1799 CA ALA A 117 5.516 12.675 0.382 1.00 0.00 C ATOM 1800 C ALA A 117 6.977 12.823 -0.027 1.00 0.00 C ATOM 1801 O ALA A 117 7.881 12.639 0.787 1.00 0.00 O ATOM 1802 CB ALA A 117 5.239 13.461 1.655 1.00 0.00 C ATOM 0 H ALA A 117 4.720 11.063 1.460 1.00 0.00 H new ATOM 0 HA ALA A 117 4.898 13.078 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.507 14.506 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.180 13.391 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.831 13.050 2.473 1.00 0.00 H new ATOM 1808 N ALA A 118 7.201 13.157 -1.294 1.00 0.00 N ATOM 1809 CA ALA A 118 8.553 13.332 -1.811 1.00 0.00 C ATOM 1810 C ALA A 118 8.959 14.801 -1.800 1.00 0.00 C ATOM 1811 O ALA A 118 8.118 15.688 -1.945 1.00 0.00 O ATOM 1812 CB ALA A 118 8.658 12.763 -3.218 1.00 0.00 C ATOM 0 H ALA A 118 6.463 13.312 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 118 9.238 12.789 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.673 12.901 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.419 11.700 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.957 13.281 -3.873 1.00 0.00 H new ATOM 1818 N ILE A 119 10.253 15.052 -1.626 1.00 0.00 N ATOM 1819 CA ILE A 119 10.769 16.414 -1.597 1.00 0.00 C ATOM 1820 C ILE A 119 11.792 16.638 -2.706 1.00 0.00 C ATOM 1821 O ILE A 119 12.398 15.691 -3.206 1.00 0.00 O ATOM 1822 CB ILE A 119 11.420 16.741 -0.240 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.507 15.715 0.088 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.367 16.774 0.858 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.226 15.993 1.390 1.00 0.00 C ATOM 0 H ILE A 119 10.962 14.329 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 119 9.918 17.077 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 119 11.883 17.726 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.057 14.723 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 119 13.235 15.697 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.842 17.006 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.624 17.538 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.879 15.802 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 119 13.982 15.227 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.705 16.971 1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 119 12.509 15.982 2.211 1.00 0.00 H new ATOM 1837 N ASP A 120 11.980 17.898 -3.084 1.00 0.00 N ATOM 1838 CA ASP A 120 12.932 18.248 -4.131 1.00 0.00 C ATOM 1839 C ASP A 120 14.345 18.361 -3.566 1.00 0.00 C ATOM 1840 O ASP A 120 15.234 18.928 -4.201 1.00 0.00 O ATOM 1841 CB ASP A 120 12.529 19.564 -4.798 1.00 0.00 C ATOM 1842 CG ASP A 120 13.538 20.022 -5.832 1.00 0.00 C ATOM 1843 OD1 ASP A 120 14.067 19.162 -6.568 1.00 0.00 O ATOM 1844 OD2 ASP A 120 13.799 21.241 -5.907 1.00 0.00 O ATOM 0 H ASP A 120 11.485 18.694 -2.681 1.00 0.00 H new ATOM 0 HA ASP A 120 12.921 17.454 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 120 11.555 19.444 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.419 20.335 -4.036 1.00 0.00 H new ATOM 1849 N MET A 121 14.543 17.818 -2.370 1.00 0.00 N ATOM 1850 CA MET A 121 15.848 17.858 -1.719 1.00 0.00 C ATOM 1851 C MET A 121 16.967 17.636 -2.732 1.00 0.00 C ATOM 1852 O MET A 121 18.097 18.078 -2.529 1.00 0.00 O ATOM 1853 CB MET A 121 15.925 16.800 -0.617 1.00 0.00 C ATOM 1854 CG MET A 121 16.122 15.388 -1.143 1.00 0.00 C ATOM 1855 SD MET A 121 16.083 14.148 0.166 1.00 0.00 S ATOM 1856 CE MET A 121 17.450 14.691 1.188 1.00 0.00 C ATOM 0 H MET A 121 13.817 17.345 -1.832 1.00 0.00 H new ATOM 0 HA MET A 121 15.974 18.845 -1.274 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.747 17.046 0.055 1.00 0.00 H new ATOM 0 HB3 MET A 121 15.009 16.835 -0.027 1.00 0.00 H new ATOM 0 HG2 MET A 121 15.344 15.165 -1.873 1.00 0.00 H new ATOM 0 HG3 MET A 121 17.077 15.329 -1.666 1.00 0.00 H new ATOM 0 HE1 MET A 121 17.761 13.877 1.843 1.00 0.00 H new ATOM 0 HE2 MET A 121 18.285 14.984 0.552 1.00 0.00 H new ATOM 0 HE3 MET A 121 17.137 15.543 1.792 1.00 0.00 H new ATOM 1866 N ASN A 122 16.644 16.949 -3.823 1.00 0.00 N ATOM 1867 CA ASN A 122 17.623 16.668 -4.867 1.00 0.00 C ATOM 1868 C ASN A 122 17.924 17.922 -5.682 1.00 0.00 C ATOM 1869 O ASN A 122 18.777 17.908 -6.569 1.00 0.00 O ATOM 1870 CB ASN A 122 17.114 15.557 -5.787 1.00 0.00 C ATOM 1871 CG ASN A 122 18.225 14.930 -6.606 1.00 0.00 C ATOM 1872 OD1 ASN A 122 19.261 15.551 -6.847 1.00 0.00 O ATOM 1873 ND2 ASN A 122 18.015 13.692 -7.039 1.00 0.00 N ATOM 0 H ASN A 122 15.712 16.577 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 122 18.545 16.339 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 122 16.629 14.786 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 122 16.357 15.963 -6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 122 18.727 13.218 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 122 17.142 13.215 -6.816 1.00 0.00 H new TER 1880 ASN A 122