USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 959 hydrogens (13 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 NoAdj-H: B 2 PTR HN2 : B 2 PTR N : B 1 THR C :(H bumps) USER MOD Set 1.1: A 53 CYS SG : rot 55:sc= -4.88! USER MOD Set 1.2: A 62 HIS : no HE2:sc= -6.1! C(o=-11!,f=-23!) USER MOD Set 2.1: A 47 ASN : amide:sc= 0.788 K(o=0.6,f=-1.3) USER MOD Set 2.2: A 49 SER OG : rot 121:sc= -0.192 USER MOD Set 3.1: A 36 ASN : amide:sc= -12.1! C(o=-18!,f=-16!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= -6.07! C(o=-18!,f=-21!) USER MOD Set 3.3: A 59 LYS NZ :NH3+ -166:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00999 USER MOD Single : A 10 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-3.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -167:sc= -1.72 (180deg=-2.24) USER MOD Single : A 17 HIS : no HD1:sc= -19.7! C(o=-20!,f=-25!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 137:sc= 0.319 USER MOD Single : A 25 SER OG : rot -34:sc= 0.939 USER MOD Single : A 27 GLN : amide:sc= -1.93! C(o=-1.9!,f=-2.3!) USER MOD Single : A 33 SER OG : rot -71:sc= -1.99! USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0196 (180deg=-0.216) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -1.65 (180deg=-2.57!) USER MOD Single : A 46 ASN : amide:sc= -3.82! C(o=-3.8!,f=-6.7!) USER MOD Single : A 50 TYR OH : rot -55:sc= 0.128 USER MOD Single : A 63 TYR OH : rot 165:sc=-0.00842 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.02 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -109:sc= 0.112 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 86 GLN : amide:sc= -0.961 K(o=-0.96,f=-3.5!) USER MOD Single : A 90 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-0.54) USER MOD Single : A 91 TYR OH : rot -117:sc= -0.43 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 157:sc= -0.677 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -20:sc= -17.2! USER MOD Single : A 107 GLN : amide:sc= -6.57! C(o=-6.6!,f=-10!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 47:sc= -1.56 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.565 -20.392 -7.648 1.00 0.00 N ATOM 2 CA GLY A 1 -9.762 -19.589 -6.734 1.00 0.00 C ATOM 3 C GLY A 1 -9.430 -18.212 -7.312 1.00 0.00 C ATOM 4 O GLY A 1 -8.483 -18.039 -8.070 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.765 -21.316 -7.214 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.460 -19.901 -7.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.043 -20.533 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.299 -19.466 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.837 -20.118 -6.506 1.00 0.00 H new ATOM 10 N SER A 2 -10.273 -17.250 -6.897 1.00 0.00 N ATOM 11 CA SER A 2 -10.068 -15.893 -7.373 1.00 0.00 C ATOM 12 C SER A 2 -10.221 -14.916 -6.208 1.00 0.00 C ATOM 13 O SER A 2 -10.995 -13.968 -6.255 1.00 0.00 O ATOM 14 CB SER A 2 -11.078 -15.582 -8.474 1.00 0.00 C ATOM 15 OG SER A 2 -10.889 -16.433 -9.576 1.00 0.00 O ATOM 0 H SER A 2 -11.062 -17.385 -6.265 1.00 0.00 H new ATOM 0 HA SER A 2 -9.063 -15.792 -7.783 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.091 -15.698 -8.088 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.973 -14.543 -8.788 1.00 0.00 H new ATOM 0 HG SER A 2 -11.547 -16.220 -10.271 1.00 0.00 H new ATOM 21 N ARG A 3 -9.429 -15.217 -5.164 1.00 0.00 N ATOM 22 CA ARG A 3 -9.471 -14.366 -3.988 1.00 0.00 C ATOM 23 C ARG A 3 -10.880 -14.376 -3.398 1.00 0.00 C ATOM 24 O ARG A 3 -11.830 -14.864 -3.997 1.00 0.00 O ATOM 25 CB ARG A 3 -9.060 -12.946 -4.370 1.00 0.00 C ATOM 26 CG ARG A 3 -7.540 -12.807 -4.475 1.00 0.00 C ATOM 27 CD ARG A 3 -6.972 -13.663 -5.607 1.00 0.00 C ATOM 28 NE ARG A 3 -5.537 -13.473 -5.710 1.00 0.00 N ATOM 29 CZ ARG A 3 -5.074 -12.321 -6.230 1.00 0.00 C ATOM 30 NH1 ARG A 3 -5.925 -11.381 -6.635 1.00 0.00 N ATOM 31 NH2 ARG A 3 -3.764 -12.122 -6.339 1.00 0.00 N ATOM 0 H ARG A 3 -8.785 -16.007 -5.118 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.776 -14.742 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.517 -12.679 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.439 -12.245 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.281 -11.762 -4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.081 -13.101 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.194 -14.714 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.450 -13.395 -6.549 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.892 -14.198 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.930 -11.533 -6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.572 -10.509 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.111 -12.842 -6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.412 -11.250 -6.733 1.00 0.00 H new ATOM 45 N ARG A 4 -10.941 -13.804 -2.182 1.00 0.00 N ATOM 46 CA ARG A 4 -12.223 -13.745 -1.502 1.00 0.00 C ATOM 47 C ARG A 4 -13.074 -12.634 -2.119 1.00 0.00 C ATOM 48 O ARG A 4 -12.725 -12.042 -3.134 1.00 0.00 O ATOM 49 CB ARG A 4 -11.993 -13.496 -0.013 1.00 0.00 C ATOM 50 CG ARG A 4 -13.165 -13.996 0.831 1.00 0.00 C ATOM 51 CD ARG A 4 -12.725 -14.353 2.252 1.00 0.00 C ATOM 52 NE ARG A 4 -12.694 -15.796 2.422 1.00 0.00 N ATOM 53 CZ ARG A 4 -11.563 -16.466 2.122 1.00 0.00 C ATOM 54 NH1 ARG A 4 -10.490 -15.812 1.686 1.00 0.00 N ATOM 55 NH2 ARG A 4 -11.520 -17.788 2.264 1.00 0.00 N ATOM 0 H ARG A 4 -10.152 -13.397 -1.679 1.00 0.00 H new ATOM 0 HA ARG A 4 -12.754 -14.690 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.078 -13.997 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.849 -12.429 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.938 -13.229 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.608 -14.871 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.738 -13.935 2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.410 -13.909 2.975 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.516 -16.295 2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.520 -14.798 1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.637 -16.324 1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.341 -18.292 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.666 -18.298 2.038 1.00 0.00 H new ATOM 69 N ALA A 5 -14.208 -12.393 -1.437 1.00 0.00 N ATOM 70 CA ALA A 5 -15.108 -11.362 -1.928 1.00 0.00 C ATOM 71 C ALA A 5 -14.515 -9.977 -1.645 1.00 0.00 C ATOM 72 O ALA A 5 -13.670 -9.478 -2.379 1.00 0.00 O ATOM 73 CB ALA A 5 -16.475 -11.521 -1.262 1.00 0.00 C ATOM 0 H ALA A 5 -14.504 -12.876 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.234 -11.464 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -17.151 -10.749 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.883 -12.503 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.367 -11.425 -0.182 1.00 0.00 H new ATOM 79 N SER A 6 -15.014 -9.394 -0.537 1.00 0.00 N ATOM 80 CA SER A 6 -14.533 -8.072 -0.172 1.00 0.00 C ATOM 81 C SER A 6 -14.398 -7.973 1.346 1.00 0.00 C ATOM 82 O SER A 6 -15.028 -8.703 2.101 1.00 0.00 O ATOM 83 CB SER A 6 -15.511 -7.019 -0.688 1.00 0.00 C ATOM 84 OG SER A 6 -16.799 -7.245 -0.174 1.00 0.00 O ATOM 0 H SER A 6 -15.713 -9.801 0.084 1.00 0.00 H new ATOM 0 HA SER A 6 -13.555 -7.900 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.168 -6.025 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.539 -7.044 -1.777 1.00 0.00 H new ATOM 0 HG SER A 6 -17.412 -6.560 -0.514 1.00 0.00 H new ATOM 90 N VAL A 7 -13.530 -7.015 1.732 1.00 0.00 N ATOM 91 CA VAL A 7 -13.296 -6.800 3.154 1.00 0.00 C ATOM 92 C VAL A 7 -13.298 -8.141 3.888 1.00 0.00 C ATOM 93 O VAL A 7 -13.996 -8.340 4.875 1.00 0.00 O ATOM 94 CB VAL A 7 -14.373 -5.872 3.711 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.756 -6.503 3.556 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.094 -5.547 5.181 1.00 0.00 C ATOM 0 H VAL A 7 -13.005 -6.408 1.102 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.323 -6.332 3.301 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.353 -4.942 3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.511 -5.828 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.957 -6.684 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.788 -7.448 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.872 -4.885 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.087 -6.469 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.125 -5.056 5.267 1.00 0.00 H new ATOM 106 N GLY A 8 -12.473 -9.044 3.332 1.00 0.00 N ATOM 107 CA GLY A 8 -12.379 -10.358 3.935 1.00 0.00 C ATOM 108 C GLY A 8 -11.204 -10.424 4.912 1.00 0.00 C ATOM 109 O GLY A 8 -11.339 -10.179 6.105 1.00 0.00 O ATOM 0 H GLY A 8 -11.893 -8.889 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.307 -10.590 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.254 -11.112 3.158 1.00 0.00 H new ATOM 113 N SER A 9 -10.048 -10.772 4.319 1.00 0.00 N ATOM 114 CA SER A 9 -8.850 -10.868 5.135 1.00 0.00 C ATOM 115 C SER A 9 -7.643 -11.132 4.232 1.00 0.00 C ATOM 116 O SER A 9 -7.013 -10.218 3.713 1.00 0.00 O ATOM 117 CB SER A 9 -9.021 -11.987 6.161 1.00 0.00 C ATOM 118 OG SER A 9 -7.846 -12.155 6.913 1.00 0.00 O ATOM 0 H SER A 9 -9.929 -10.980 3.327 1.00 0.00 H new ATOM 0 HA SER A 9 -8.685 -9.933 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.853 -11.754 6.825 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.270 -12.919 5.653 1.00 0.00 H new ATOM 0 HG SER A 9 -7.975 -12.875 7.566 1.00 0.00 H new ATOM 124 N HIS A 10 -7.366 -12.441 4.083 1.00 0.00 N ATOM 125 CA HIS A 10 -6.240 -12.824 3.248 1.00 0.00 C ATOM 126 C HIS A 10 -5.049 -11.915 3.549 1.00 0.00 C ATOM 127 O HIS A 10 -4.629 -11.106 2.730 1.00 0.00 O ATOM 128 CB HIS A 10 -6.635 -12.719 1.778 1.00 0.00 C ATOM 129 CG HIS A 10 -5.580 -13.388 0.929 1.00 0.00 C ATOM 130 ND1 HIS A 10 -5.709 -13.612 -0.397 1.00 0.00 N ATOM 131 CD2 HIS A 10 -4.330 -13.890 1.337 1.00 0.00 C ATOM 132 CE1 HIS A 10 -4.582 -14.228 -0.791 1.00 0.00 C ATOM 133 NE2 HIS A 10 -3.734 -14.407 0.237 1.00 0.00 N ATOM 0 H HIS A 10 -7.884 -13.209 4.511 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.957 -13.855 3.461 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.603 -13.192 1.615 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.739 -11.673 1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.924 -13.867 2.337 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.382 -14.540 -1.805 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.816 -14.849 0.196 1.00 0.00 H new ATOM 141 N GLU A 11 -4.541 -12.106 4.778 1.00 0.00 N ATOM 142 CA GLU A 11 -3.412 -11.318 5.199 1.00 0.00 C ATOM 143 C GLU A 11 -2.242 -11.554 4.250 1.00 0.00 C ATOM 144 O GLU A 11 -1.780 -10.659 3.554 1.00 0.00 O ATOM 145 CB GLU A 11 -3.054 -11.735 6.617 1.00 0.00 C ATOM 146 CG GLU A 11 -2.839 -10.524 7.517 1.00 0.00 C ATOM 147 CD GLU A 11 -2.483 -10.984 8.932 1.00 0.00 C ATOM 148 OE1 GLU A 11 -3.071 -11.959 9.397 1.00 0.00 O ATOM 149 OE2 GLU A 11 -1.622 -10.361 9.553 1.00 0.00 O ATOM 0 H GLU A 11 -4.890 -12.777 5.462 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.650 -10.254 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.850 -12.357 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.150 -12.343 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.040 -9.899 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.741 -9.912 7.540 1.00 0.00 H new ATOM 156 N LYS A 12 -1.801 -12.823 4.279 1.00 0.00 N ATOM 157 CA LYS A 12 -0.691 -13.196 3.419 1.00 0.00 C ATOM 158 C LYS A 12 -0.958 -12.687 2.004 1.00 0.00 C ATOM 159 O LYS A 12 -1.700 -13.280 1.233 1.00 0.00 O ATOM 160 CB LYS A 12 -0.538 -14.715 3.418 1.00 0.00 C ATOM 161 CG LYS A 12 -0.337 -15.263 4.831 1.00 0.00 C ATOM 162 CD LYS A 12 1.143 -15.497 5.136 1.00 0.00 C ATOM 163 CE LYS A 12 1.360 -15.894 6.597 1.00 0.00 C ATOM 164 NZ LYS A 12 2.757 -16.194 6.888 1.00 0.00 N ATOM 0 H LYS A 12 -2.181 -13.569 4.862 1.00 0.00 H new ATOM 0 HA LYS A 12 0.233 -12.750 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.423 -15.170 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.311 -14.995 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.753 -14.564 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.885 -16.199 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.530 -16.280 4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.708 -14.591 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.022 -15.085 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.748 -16.765 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.854 -16.458 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.074 -16.983 6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.340 -15.355 6.693 1.00 0.00 H new ATOM 178 N MET A 13 -0.299 -11.551 1.721 1.00 0.00 N ATOM 179 CA MET A 13 -0.470 -10.958 0.407 1.00 0.00 C ATOM 180 C MET A 13 0.800 -10.192 0.036 1.00 0.00 C ATOM 181 O MET A 13 1.615 -9.849 0.883 1.00 0.00 O ATOM 182 CB MET A 13 -1.679 -10.028 0.433 1.00 0.00 C ATOM 183 CG MET A 13 -2.988 -10.811 0.344 1.00 0.00 C ATOM 184 SD MET A 13 -4.397 -9.699 0.226 1.00 0.00 S ATOM 185 CE MET A 13 -4.826 -10.023 -1.492 1.00 0.00 C ATOM 0 H MET A 13 0.325 -11.053 2.356 1.00 0.00 H new ATOM 0 HA MET A 13 -0.642 -11.731 -0.342 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.667 -9.439 1.350 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.617 -9.325 -0.398 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.965 -11.468 -0.526 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.095 -11.448 1.222 1.00 0.00 H new ATOM 0 HE1 MET A 13 -5.531 -9.268 -1.840 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.925 -9.988 -2.105 1.00 0.00 H new ATOM 0 HE3 MET A 13 -5.282 -11.010 -1.573 1.00 0.00 H new ATOM 195 N PRO A 14 0.925 -9.944 -1.290 1.00 0.00 N ATOM 196 CA PRO A 14 2.060 -9.244 -1.845 1.00 0.00 C ATOM 197 C PRO A 14 1.882 -7.748 -1.721 1.00 0.00 C ATOM 198 O PRO A 14 2.561 -7.059 -0.972 1.00 0.00 O ATOM 199 CB PRO A 14 2.051 -9.597 -3.330 1.00 0.00 C ATOM 200 CG PRO A 14 0.624 -10.062 -3.640 1.00 0.00 C ATOM 201 CD PRO A 14 -0.037 -10.367 -2.291 1.00 0.00 C ATOM 0 HA PRO A 14 2.981 -9.521 -1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.322 -8.734 -3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.775 -10.382 -3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.072 -9.290 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.634 -10.947 -4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.979 -9.829 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.264 -11.429 -2.195 1.00 0.00 H new ATOM 209 N TRP A 15 0.900 -7.305 -2.512 1.00 0.00 N ATOM 210 CA TRP A 15 0.614 -5.883 -2.508 1.00 0.00 C ATOM 211 C TRP A 15 0.023 -5.455 -1.156 1.00 0.00 C ATOM 212 O TRP A 15 -0.267 -4.289 -0.932 1.00 0.00 O ATOM 213 CB TRP A 15 -0.348 -5.554 -3.645 1.00 0.00 C ATOM 214 CG TRP A 15 -1.660 -6.274 -3.434 1.00 0.00 C ATOM 215 CD1 TRP A 15 -2.018 -7.499 -3.995 1.00 0.00 C ATOM 216 CD2 TRP A 15 -2.761 -5.836 -2.634 1.00 0.00 C ATOM 217 NE1 TRP A 15 -3.275 -7.838 -3.582 1.00 0.00 N ATOM 218 CE2 TRP A 15 -3.774 -6.839 -2.738 1.00 0.00 C ATOM 219 CE3 TRP A 15 -2.968 -4.705 -1.855 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -4.979 -6.695 -2.061 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -4.194 -4.548 -1.160 1.00 0.00 C ATOM 222 CH2 TRP A 15 -5.201 -5.544 -1.264 1.00 0.00 C ATOM 0 H TRP A 15 0.323 -7.879 -3.128 1.00 0.00 H new ATOM 0 HA TRP A 15 1.542 -5.332 -2.658 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -0.517 -4.478 -3.690 1.00 0.00 H new ATOM 0 HB3 TRP A 15 0.089 -5.848 -4.599 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -1.398 -8.088 -4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.773 -8.688 -3.848 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.200 -3.950 -1.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.742 -7.455 -2.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.362 -3.671 -0.552 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.136 -5.425 -0.736 1.00 0.00 H new ATOM 233 N PHE A 16 -0.121 -6.461 -0.267 1.00 0.00 N ATOM 234 CA PHE A 16 -0.664 -6.149 1.033 1.00 0.00 C ATOM 235 C PHE A 16 0.089 -6.904 2.119 1.00 0.00 C ATOM 236 O PHE A 16 -0.317 -7.972 2.561 1.00 0.00 O ATOM 237 CB PHE A 16 -2.132 -6.533 1.065 1.00 0.00 C ATOM 238 CG PHE A 16 -2.785 -6.110 2.358 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.086 -5.301 3.297 1.00 0.00 C ATOM 240 CD2 PHE A 16 -4.103 -6.531 2.663 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.694 -4.925 4.513 1.00 0.00 C ATOM 242 CE2 PHE A 16 -4.710 -6.153 3.883 1.00 0.00 C ATOM 243 CZ PHE A 16 -4.006 -5.351 4.806 1.00 0.00 C ATOM 0 H PHE A 16 0.122 -7.438 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.557 -5.080 1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.649 -6.068 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.230 -7.612 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.081 -4.972 3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.647 -7.144 1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.155 -4.311 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.715 -6.479 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.472 -5.063 5.737 1.00 0.00 H new ATOM 253 N HIS A 17 1.205 -6.281 2.519 1.00 0.00 N ATOM 254 CA HIS A 17 1.986 -6.895 3.562 1.00 0.00 C ATOM 255 C HIS A 17 1.433 -6.463 4.919 1.00 0.00 C ATOM 256 O HIS A 17 1.429 -5.290 5.272 1.00 0.00 O ATOM 257 CB HIS A 17 3.448 -6.489 3.406 1.00 0.00 C ATOM 258 CG HIS A 17 3.634 -5.032 3.762 1.00 0.00 C ATOM 259 ND1 HIS A 17 4.044 -4.601 4.974 1.00 0.00 N ATOM 260 CD2 HIS A 17 3.446 -3.909 2.940 1.00 0.00 C ATOM 261 CE1 HIS A 17 4.109 -3.264 4.900 1.00 0.00 C ATOM 262 NE2 HIS A 17 3.752 -2.821 3.684 1.00 0.00 N ATOM 0 H HIS A 17 1.561 -5.399 2.150 1.00 0.00 H new ATOM 0 HA HIS A 17 1.926 -7.981 3.493 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.074 -7.109 4.048 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.772 -6.663 2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.120 -3.913 1.911 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.411 -2.624 5.716 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.718 -1.848 3.379 1.00 0.00 H new ATOM 270 N GLY A 18 0.967 -7.484 5.647 1.00 0.00 N ATOM 271 CA GLY A 18 0.421 -7.193 6.958 1.00 0.00 C ATOM 272 C GLY A 18 1.520 -7.196 8.032 1.00 0.00 C ATOM 273 O GLY A 18 1.272 -7.442 9.206 1.00 0.00 O ATOM 0 H GLY A 18 0.959 -8.464 5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.072 -6.221 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.339 -7.932 7.210 1.00 0.00 H new ATOM 277 N LYS A 19 2.747 -6.906 7.546 1.00 0.00 N ATOM 278 CA LYS A 19 3.867 -6.877 8.462 1.00 0.00 C ATOM 279 C LYS A 19 4.909 -5.857 7.973 1.00 0.00 C ATOM 280 O LYS A 19 4.607 -4.694 7.736 1.00 0.00 O ATOM 281 CB LYS A 19 4.462 -8.279 8.554 1.00 0.00 C ATOM 282 CG LYS A 19 5.346 -8.434 9.793 1.00 0.00 C ATOM 283 CD LYS A 19 6.115 -9.754 9.773 1.00 0.00 C ATOM 284 CE LYS A 19 7.195 -9.755 8.692 1.00 0.00 C ATOM 285 NZ LYS A 19 7.893 -11.031 8.605 1.00 0.00 N ATOM 0 H LYS A 19 2.965 -6.700 6.571 1.00 0.00 H new ATOM 0 HA LYS A 19 3.540 -6.570 9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.658 -9.015 8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.049 -8.485 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.050 -7.603 9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.728 -8.385 10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.573 -9.924 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.423 -10.577 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.741 -9.526 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.915 -8.964 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.615 -10.981 7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.350 -11.239 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.212 -11.784 8.379 1.00 0.00 H new ATOM 299 N ILE A 20 6.145 -6.382 7.828 1.00 0.00 N ATOM 300 CA ILE A 20 7.241 -5.526 7.397 1.00 0.00 C ATOM 301 C ILE A 20 7.287 -4.281 8.274 1.00 0.00 C ATOM 302 O ILE A 20 6.364 -3.964 9.014 1.00 0.00 O ATOM 303 CB ILE A 20 7.086 -5.127 5.934 1.00 0.00 C ATOM 304 CG1 ILE A 20 6.440 -6.249 5.118 1.00 0.00 C ATOM 305 CG2 ILE A 20 8.442 -4.759 5.337 1.00 0.00 C ATOM 306 CD1 ILE A 20 6.429 -5.913 3.621 1.00 0.00 C ATOM 0 H ILE A 20 6.391 -7.357 7.998 1.00 0.00 H new ATOM 0 HA ILE A 20 8.174 -6.081 7.497 1.00 0.00 H new ATOM 0 HB ILE A 20 6.431 -4.257 5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.984 -7.179 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.419 -6.412 5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.315 -4.476 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.868 -3.922 5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.113 -5.616 5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.964 -6.729 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.863 -4.996 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.452 -5.775 3.272 1.00 0.00 H new ATOM 318 N SER A 21 8.438 -3.613 8.144 1.00 0.00 N ATOM 319 CA SER A 21 8.640 -2.409 8.917 1.00 0.00 C ATOM 320 C SER A 21 8.236 -1.190 8.090 1.00 0.00 C ATOM 321 O SER A 21 7.154 -0.628 8.211 1.00 0.00 O ATOM 322 CB SER A 21 10.108 -2.324 9.320 1.00 0.00 C ATOM 323 OG SER A 21 10.411 -3.285 10.299 1.00 0.00 O ATOM 0 H SER A 21 9.210 -3.881 7.533 1.00 0.00 H new ATOM 0 HA SER A 21 8.022 -2.432 9.815 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.740 -2.477 8.445 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.328 -1.327 9.702 1.00 0.00 H new ATOM 0 HG SER A 21 11.270 -3.707 10.089 1.00 0.00 H new ATOM 329 N ARG A 22 9.214 -0.848 7.249 1.00 0.00 N ATOM 330 CA ARG A 22 9.081 0.289 6.356 1.00 0.00 C ATOM 331 C ARG A 22 10.339 0.302 5.497 1.00 0.00 C ATOM 332 O ARG A 22 10.312 0.464 4.283 1.00 0.00 O ATOM 333 CB ARG A 22 8.973 1.578 7.162 1.00 0.00 C ATOM 334 CG ARG A 22 8.728 2.788 6.262 1.00 0.00 C ATOM 335 CD ARG A 22 8.714 4.087 7.066 1.00 0.00 C ATOM 336 NE ARG A 22 9.996 4.291 7.715 1.00 0.00 N ATOM 337 CZ ARG A 22 11.053 4.648 6.962 1.00 0.00 C ATOM 338 NH1 ARG A 22 10.914 4.805 5.649 1.00 0.00 N ATOM 339 NH2 ARG A 22 12.238 4.844 7.533 1.00 0.00 N ATOM 0 H ARG A 22 10.102 -1.345 7.173 1.00 0.00 H new ATOM 0 HA ARG A 22 8.184 0.214 5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.160 1.490 7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.889 1.728 7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.505 2.839 5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.777 2.670 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.494 4.928 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.922 4.051 7.814 1.00 0.00 H new ATOM 0 HE ARG A 22 10.094 4.166 8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.005 4.655 5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.716 5.076 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.345 4.724 8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.040 5.115 6.964 1.00 0.00 H new ATOM 353 N GLU A 23 11.440 0.110 6.245 1.00 0.00 N ATOM 354 CA GLU A 23 12.728 0.028 5.618 1.00 0.00 C ATOM 355 C GLU A 23 12.792 -1.303 4.889 1.00 0.00 C ATOM 356 O GLU A 23 13.220 -1.412 3.751 1.00 0.00 O ATOM 357 CB GLU A 23 13.780 0.105 6.716 1.00 0.00 C ATOM 358 CG GLU A 23 14.147 -1.258 7.293 1.00 0.00 C ATOM 359 CD GLU A 23 15.311 -1.108 8.275 1.00 0.00 C ATOM 360 OE1 GLU A 23 16.263 -0.399 7.952 1.00 0.00 O ATOM 361 OE2 GLU A 23 15.252 -1.700 9.351 1.00 0.00 O ATOM 0 H GLU A 23 11.444 0.013 7.260 1.00 0.00 H new ATOM 0 HA GLU A 23 12.901 0.835 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.678 0.577 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.412 0.745 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.285 -1.693 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.423 -1.941 6.490 1.00 0.00 H new ATOM 368 N GLU A 24 12.333 -2.301 5.655 1.00 0.00 N ATOM 369 CA GLU A 24 12.283 -3.645 5.107 1.00 0.00 C ATOM 370 C GLU A 24 11.437 -3.641 3.824 1.00 0.00 C ATOM 371 O GLU A 24 11.697 -4.372 2.876 1.00 0.00 O ATOM 372 CB GLU A 24 11.674 -4.587 6.137 1.00 0.00 C ATOM 373 CG GLU A 24 12.379 -4.480 7.489 1.00 0.00 C ATOM 374 CD GLU A 24 11.675 -5.372 8.513 1.00 0.00 C ATOM 375 OE1 GLU A 24 10.805 -6.146 8.117 1.00 0.00 O ATOM 376 OE2 GLU A 24 12.003 -5.281 9.695 1.00 0.00 O ATOM 0 H GLU A 24 12.005 -2.203 6.616 1.00 0.00 H new ATOM 0 HA GLU A 24 13.290 -3.985 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.616 -4.357 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.737 -5.613 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.423 -4.778 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.375 -3.445 7.831 1.00 0.00 H new ATOM 383 N SER A 25 10.416 -2.761 3.866 1.00 0.00 N ATOM 384 CA SER A 25 9.528 -2.649 2.717 1.00 0.00 C ATOM 385 C SER A 25 10.136 -1.736 1.638 1.00 0.00 C ATOM 386 O SER A 25 9.797 -1.819 0.464 1.00 0.00 O ATOM 387 CB SER A 25 8.185 -2.097 3.189 1.00 0.00 C ATOM 388 OG SER A 25 8.238 -0.698 3.307 1.00 0.00 O ATOM 0 H SER A 25 10.200 -2.147 4.651 1.00 0.00 H new ATOM 0 HA SER A 25 9.388 -3.634 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.402 -2.378 2.484 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.922 -2.539 4.150 1.00 0.00 H new ATOM 0 HG SER A 25 9.136 -0.428 3.592 1.00 0.00 H new ATOM 394 N GLU A 26 11.057 -0.873 2.110 1.00 0.00 N ATOM 395 CA GLU A 26 11.686 0.054 1.206 1.00 0.00 C ATOM 396 C GLU A 26 12.936 -0.570 0.553 1.00 0.00 C ATOM 397 O GLU A 26 13.387 -0.144 -0.504 1.00 0.00 O ATOM 398 CB GLU A 26 12.021 1.297 2.020 1.00 0.00 C ATOM 399 CG GLU A 26 13.371 1.876 1.646 1.00 0.00 C ATOM 400 CD GLU A 26 13.660 3.121 2.486 1.00 0.00 C ATOM 401 OE1 GLU A 26 13.175 3.194 3.614 1.00 0.00 O ATOM 402 OE2 GLU A 26 14.365 4.005 2.002 1.00 0.00 O ATOM 0 H GLU A 26 11.361 -0.813 3.082 1.00 0.00 H new ATOM 0 HA GLU A 26 11.023 0.314 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.248 2.050 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.015 1.048 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.151 1.132 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.385 2.131 0.586 1.00 0.00 H new ATOM 409 N GLN A 27 13.454 -1.608 1.240 1.00 0.00 N ATOM 410 CA GLN A 27 14.616 -2.296 0.691 1.00 0.00 C ATOM 411 C GLN A 27 14.092 -3.254 -0.373 1.00 0.00 C ATOM 412 O GLN A 27 14.737 -3.560 -1.364 1.00 0.00 O ATOM 413 CB GLN A 27 15.362 -3.051 1.787 1.00 0.00 C ATOM 414 CG GLN A 27 14.427 -3.975 2.558 1.00 0.00 C ATOM 415 CD GLN A 27 15.208 -4.726 3.639 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.652 -4.158 4.630 1.00 0.00 O ATOM 417 NE2 GLN A 27 15.340 -6.039 3.376 1.00 0.00 N ATOM 0 H GLN A 27 13.102 -1.966 2.128 1.00 0.00 H new ATOM 0 HA GLN A 27 15.324 -1.589 0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.170 -3.634 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.821 -2.340 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.624 -3.396 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.960 -4.685 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.938 -6.432 2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.842 -6.642 4.028 1.00 0.00 H new ATOM 426 N ILE A 28 12.863 -3.709 -0.089 1.00 0.00 N ATOM 427 CA ILE A 28 12.218 -4.565 -1.016 1.00 0.00 C ATOM 428 C ILE A 28 11.977 -3.788 -2.301 1.00 0.00 C ATOM 429 O ILE A 28 12.083 -4.292 -3.411 1.00 0.00 O ATOM 430 CB ILE A 28 10.923 -4.983 -0.366 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.153 -6.209 0.493 1.00 0.00 C ATOM 432 CG2 ILE A 28 9.851 -5.239 -1.406 1.00 0.00 C ATOM 433 CD1 ILE A 28 9.993 -6.428 1.453 1.00 0.00 C ATOM 0 H ILE A 28 12.333 -3.491 0.755 1.00 0.00 H new ATOM 0 HA ILE A 28 12.809 -5.446 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 28 10.572 -4.171 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.274 -7.086 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.079 -6.094 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.928 -5.539 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.676 -4.329 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.177 -6.034 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.184 -7.315 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.891 -5.560 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.073 -6.567 0.886 1.00 0.00 H new ATOM 445 N VAL A 29 11.619 -2.528 -2.059 1.00 0.00 N ATOM 446 CA VAL A 29 11.412 -1.647 -3.179 1.00 0.00 C ATOM 447 C VAL A 29 12.720 -1.496 -3.940 1.00 0.00 C ATOM 448 O VAL A 29 12.748 -1.266 -5.142 1.00 0.00 O ATOM 449 CB VAL A 29 10.947 -0.290 -2.635 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.455 0.858 -3.502 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.423 -0.221 -2.507 1.00 0.00 C ATOM 0 H VAL A 29 11.474 -2.118 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 29 10.659 -2.047 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 29 11.374 -0.187 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.109 1.806 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.545 0.846 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.075 0.743 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.134 0.756 -2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.968 -0.371 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.080 -0.999 -1.825 1.00 0.00 H new ATOM 461 N LEU A 30 13.793 -1.635 -3.159 1.00 0.00 N ATOM 462 CA LEU A 30 15.083 -1.525 -3.742 1.00 0.00 C ATOM 463 C LEU A 30 15.227 -2.626 -4.792 1.00 0.00 C ATOM 464 O LEU A 30 15.855 -2.466 -5.832 1.00 0.00 O ATOM 465 CB LEU A 30 16.069 -1.684 -2.593 1.00 0.00 C ATOM 466 CG LEU A 30 16.810 -3.011 -2.616 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.028 -2.934 -3.518 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.220 -3.414 -1.215 1.00 0.00 C ATOM 0 H LEU A 30 13.774 -1.818 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 30 15.259 -0.574 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.794 -0.871 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.533 -1.591 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 30 16.135 -3.769 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.542 -3.895 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.714 -2.690 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.704 -2.161 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.749 -4.366 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.874 -2.651 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.332 -3.515 -0.591 1.00 0.00 H new ATOM 480 N ILE A 31 14.587 -3.755 -4.426 1.00 0.00 N ATOM 481 CA ILE A 31 14.620 -4.890 -5.299 1.00 0.00 C ATOM 482 C ILE A 31 13.954 -4.517 -6.593 1.00 0.00 C ATOM 483 O ILE A 31 14.548 -4.442 -7.661 1.00 0.00 O ATOM 484 CB ILE A 31 13.825 -6.054 -4.712 1.00 0.00 C ATOM 485 CG1 ILE A 31 13.790 -6.060 -3.199 1.00 0.00 C ATOM 486 CG2 ILE A 31 14.365 -7.346 -5.236 1.00 0.00 C ATOM 487 CD1 ILE A 31 14.778 -7.060 -2.598 1.00 0.00 C ATOM 0 H ILE A 31 14.065 -3.881 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 31 15.660 -5.183 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 31 12.791 -5.927 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.018 -5.060 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.782 -6.302 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 31 13.796 -8.175 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 31 14.280 -7.362 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 31 15.413 -7.444 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.714 -7.026 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 31 14.535 -8.065 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 31 15.790 -6.804 -2.910 1.00 0.00 H new ATOM 499 N GLY A 32 12.655 -4.296 -6.385 1.00 0.00 N ATOM 500 CA GLY A 32 11.820 -3.981 -7.512 1.00 0.00 C ATOM 501 C GLY A 32 11.771 -2.479 -7.777 1.00 0.00 C ATOM 502 O GLY A 32 12.664 -1.736 -7.398 1.00 0.00 O ATOM 0 H GLY A 32 12.186 -4.330 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.195 -4.494 -8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.811 -4.352 -7.332 1.00 0.00 H new ATOM 506 N SER A 33 10.676 -2.098 -8.467 1.00 0.00 N ATOM 507 CA SER A 33 10.502 -0.689 -8.793 1.00 0.00 C ATOM 508 C SER A 33 11.168 -0.388 -10.135 1.00 0.00 C ATOM 509 O SER A 33 11.185 -1.218 -11.036 1.00 0.00 O ATOM 510 CB SER A 33 11.074 0.172 -7.667 1.00 0.00 C ATOM 511 OG SER A 33 12.434 0.455 -7.888 1.00 0.00 O ATOM 0 H SER A 33 9.937 -2.721 -8.792 1.00 0.00 H new ATOM 0 HA SER A 33 9.442 -0.453 -8.887 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.512 1.103 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.957 -0.345 -6.714 1.00 0.00 H new ATOM 0 HG SER A 33 12.963 -0.359 -7.755 1.00 0.00 H new ATOM 517 N LYS A 34 11.696 0.853 -10.210 1.00 0.00 N ATOM 518 CA LYS A 34 12.349 1.268 -11.442 1.00 0.00 C ATOM 519 C LYS A 34 11.309 1.876 -12.359 1.00 0.00 C ATOM 520 O LYS A 34 11.364 3.036 -12.750 1.00 0.00 O ATOM 521 CB LYS A 34 12.971 0.058 -12.129 1.00 0.00 C ATOM 522 CG LYS A 34 14.186 0.443 -12.963 1.00 0.00 C ATOM 523 CD LYS A 34 15.435 0.611 -12.098 1.00 0.00 C ATOM 524 CE LYS A 34 16.659 0.965 -12.945 1.00 0.00 C ATOM 525 NZ LYS A 34 16.989 -0.079 -13.908 1.00 0.00 N ATOM 0 H LYS A 34 11.680 1.547 -9.463 1.00 0.00 H new ATOM 0 HA LYS A 34 13.130 1.995 -11.217 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.264 -0.676 -11.378 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.228 -0.419 -12.768 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.366 -0.322 -13.718 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.983 1.373 -13.494 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.264 1.393 -11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.625 -0.311 -11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.473 1.899 -13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.514 1.135 -12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.943 0.088 -14.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.961 -1.006 -13.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.299 -0.064 -14.686 1.00 0.00 H new ATOM 539 N THR A 35 10.358 0.988 -12.663 1.00 0.00 N ATOM 540 CA THR A 35 9.272 1.372 -13.537 1.00 0.00 C ATOM 541 C THR A 35 8.389 2.454 -12.906 1.00 0.00 C ATOM 542 O THR A 35 7.404 2.905 -13.478 1.00 0.00 O ATOM 543 CB THR A 35 8.452 0.126 -13.829 1.00 0.00 C ATOM 544 OG1 THR A 35 9.133 -1.019 -13.370 1.00 0.00 O ATOM 545 CG2 THR A 35 8.172 -0.019 -15.312 1.00 0.00 C ATOM 0 H THR A 35 10.326 0.027 -12.323 1.00 0.00 H new ATOM 0 HA THR A 35 9.678 1.795 -14.456 1.00 0.00 H new ATOM 0 HB THR A 35 7.501 0.226 -13.307 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.597 -1.817 -13.561 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.584 -0.920 -15.485 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.616 0.850 -15.664 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.114 -0.091 -15.855 1.00 0.00 H new ATOM 553 N ASN A 36 8.813 2.829 -11.701 1.00 0.00 N ATOM 554 CA ASN A 36 8.082 3.849 -10.972 1.00 0.00 C ATOM 555 C ASN A 36 6.609 3.460 -10.869 1.00 0.00 C ATOM 556 O ASN A 36 5.709 4.275 -11.032 1.00 0.00 O ATOM 557 CB ASN A 36 8.237 5.188 -11.686 1.00 0.00 C ATOM 558 CG ASN A 36 7.345 6.239 -11.026 1.00 0.00 C ATOM 559 OD1 ASN A 36 6.954 6.125 -9.871 1.00 0.00 O ATOM 560 ND2 ASN A 36 7.054 7.264 -11.844 1.00 0.00 N ATOM 0 H ASN A 36 9.633 2.453 -11.225 1.00 0.00 H new ATOM 0 HA ASN A 36 8.484 3.938 -9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.278 5.509 -11.652 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.971 5.082 -12.738 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.464 8.028 -11.514 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.423 7.279 -12.795 1.00 0.00 H new ATOM 567 N GLY A 37 6.429 2.159 -10.591 1.00 0.00 N ATOM 568 CA GLY A 37 5.074 1.661 -10.453 1.00 0.00 C ATOM 569 C GLY A 37 4.984 0.532 -9.423 1.00 0.00 C ATOM 570 O GLY A 37 3.984 -0.164 -9.328 1.00 0.00 O ATOM 0 H GLY A 37 7.171 1.471 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.416 2.477 -10.156 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.719 1.301 -11.419 1.00 0.00 H new ATOM 574 N LYS A 38 6.083 0.383 -8.658 1.00 0.00 N ATOM 575 CA LYS A 38 6.053 -0.658 -7.662 1.00 0.00 C ATOM 576 C LYS A 38 5.507 -0.055 -6.390 1.00 0.00 C ATOM 577 O LYS A 38 5.675 1.123 -6.106 1.00 0.00 O ATOM 578 CB LYS A 38 7.444 -1.228 -7.435 1.00 0.00 C ATOM 579 CG LYS A 38 7.415 -2.477 -6.558 1.00 0.00 C ATOM 580 CD LYS A 38 7.081 -3.729 -7.366 1.00 0.00 C ATOM 581 CE LYS A 38 8.146 -4.810 -7.188 1.00 0.00 C ATOM 582 NZ LYS A 38 7.645 -6.148 -7.476 1.00 0.00 N ATOM 0 H LYS A 38 6.938 0.937 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 38 5.420 -1.481 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.898 -1.471 -8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.074 -0.471 -6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.383 -2.604 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.677 -2.348 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.111 -4.117 -7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.996 -3.470 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.990 -4.594 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.521 -4.780 -6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.275 -6.855 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.688 -6.252 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.615 -6.293 -8.505 1.00 0.00 H new ATOM 596 N PHE A 39 4.848 -0.935 -5.648 1.00 0.00 N ATOM 597 CA PHE A 39 4.251 -0.441 -4.415 1.00 0.00 C ATOM 598 C PHE A 39 3.911 -1.575 -3.447 1.00 0.00 C ATOM 599 O PHE A 39 3.780 -2.732 -3.812 1.00 0.00 O ATOM 600 CB PHE A 39 2.994 0.358 -4.760 1.00 0.00 C ATOM 601 CG PHE A 39 1.858 -0.542 -5.153 1.00 0.00 C ATOM 602 CD1 PHE A 39 1.812 -1.130 -6.440 1.00 0.00 C ATOM 603 CD2 PHE A 39 0.822 -0.813 -4.230 1.00 0.00 C ATOM 604 CE1 PHE A 39 0.741 -1.981 -6.797 1.00 0.00 C ATOM 605 CE2 PHE A 39 -0.249 -1.661 -4.585 1.00 0.00 C ATOM 606 CZ PHE A 39 -0.290 -2.246 -5.869 1.00 0.00 C ATOM 0 H PHE A 39 4.718 -1.925 -5.856 1.00 0.00 H new ATOM 0 HA PHE A 39 4.977 0.198 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.700 0.963 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.212 1.047 -5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.598 -0.928 -7.152 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.850 -0.368 -3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.711 -2.428 -7.779 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.037 -1.862 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.109 -2.895 -6.141 1.00 0.00 H new ATOM 616 N LEU A 40 3.733 -1.124 -2.193 1.00 0.00 N ATOM 617 CA LEU A 40 3.381 -2.054 -1.132 1.00 0.00 C ATOM 618 C LEU A 40 2.684 -1.257 -0.023 1.00 0.00 C ATOM 619 O LEU A 40 3.163 -0.219 0.418 1.00 0.00 O ATOM 620 CB LEU A 40 4.643 -2.748 -0.612 1.00 0.00 C ATOM 621 CG LEU A 40 5.570 -1.773 0.120 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.245 -1.737 1.612 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.034 -2.170 -0.083 1.00 0.00 C ATOM 0 H LEU A 40 3.826 -0.150 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 40 2.709 -2.830 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.361 -3.557 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.178 -3.201 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 40 5.412 -0.779 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.915 -1.038 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.213 -1.414 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.375 -2.732 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.678 -1.466 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.196 -3.174 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.272 -2.153 -1.147 1.00 0.00 H new ATOM 635 N ILE A 41 1.524 -1.802 0.388 1.00 0.00 N ATOM 636 CA ILE A 41 0.763 -1.114 1.423 1.00 0.00 C ATOM 637 C ILE A 41 0.773 -1.926 2.715 1.00 0.00 C ATOM 638 O ILE A 41 0.898 -3.143 2.722 1.00 0.00 O ATOM 639 CB ILE A 41 -0.670 -0.904 0.940 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.596 -0.537 2.102 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.178 -2.160 0.253 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.255 0.834 2.686 1.00 0.00 C ATOM 0 H ILE A 41 1.118 -2.669 0.037 1.00 0.00 H new ATOM 0 HA ILE A 41 1.221 -0.146 1.624 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.669 -0.078 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.630 -0.539 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.519 -1.294 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.201 -2.000 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.542 -2.389 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.156 -2.993 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.934 1.058 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.229 0.828 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.358 1.595 1.912 1.00 0.00 H new ATOM 654 N ARG A 42 0.613 -1.152 3.802 1.00 0.00 N ATOM 655 CA ARG A 42 0.603 -1.773 5.117 1.00 0.00 C ATOM 656 C ARG A 42 -0.676 -1.388 5.857 1.00 0.00 C ATOM 657 O ARG A 42 -1.138 -0.254 5.798 1.00 0.00 O ATOM 658 CB ARG A 42 1.819 -1.304 5.911 1.00 0.00 C ATOM 659 CG ARG A 42 2.109 -2.237 7.088 1.00 0.00 C ATOM 660 CD ARG A 42 3.245 -1.709 7.964 1.00 0.00 C ATOM 661 NE ARG A 42 3.485 -2.616 9.071 1.00 0.00 N ATOM 662 CZ ARG A 42 4.198 -2.176 10.124 1.00 0.00 C ATOM 663 NH1 ARG A 42 4.671 -0.933 10.137 1.00 0.00 N ATOM 664 NH2 ARG A 42 4.429 -2.985 11.154 1.00 0.00 N ATOM 0 H ARG A 42 0.494 -0.139 3.791 1.00 0.00 H new ATOM 0 HA ARG A 42 0.640 -2.857 5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.689 -1.261 5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.647 -0.293 6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.208 -2.352 7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.370 -3.226 6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.152 -1.600 7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.992 -0.719 8.343 1.00 0.00 H new ATOM 0 HE ARG A 42 3.120 -3.568 9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.493 -0.311 9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.211 -0.601 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.066 -3.938 11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.969 -2.652 11.953 1.00 0.00 H new ATOM 678 N ALA A 43 -1.214 -2.406 6.555 1.00 0.00 N ATOM 679 CA ALA A 43 -2.428 -2.155 7.312 1.00 0.00 C ATOM 680 C ALA A 43 -2.608 -3.231 8.382 1.00 0.00 C ATOM 681 O ALA A 43 -2.020 -4.305 8.328 1.00 0.00 O ATOM 682 CB ALA A 43 -3.624 -2.125 6.365 1.00 0.00 C ATOM 0 H ALA A 43 -0.844 -3.355 6.604 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.354 -1.188 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.534 -1.937 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.486 -1.333 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.708 -3.084 5.854 1.00 0.00 H new ATOM 688 N ARG A 44 -3.461 -2.861 9.356 1.00 0.00 N ATOM 689 CA ARG A 44 -3.727 -3.788 10.444 1.00 0.00 C ATOM 690 C ARG A 44 -5.240 -3.970 10.595 1.00 0.00 C ATOM 691 O ARG A 44 -6.007 -3.806 9.653 1.00 0.00 O ATOM 692 CB ARG A 44 -3.110 -3.243 11.732 1.00 0.00 C ATOM 693 CG ARG A 44 -2.367 -4.331 12.511 1.00 0.00 C ATOM 694 CD ARG A 44 -3.334 -5.309 13.178 1.00 0.00 C ATOM 695 NE ARG A 44 -2.604 -6.287 13.964 1.00 0.00 N ATOM 696 CZ ARG A 44 -3.251 -6.940 14.949 1.00 0.00 C ATOM 697 NH1 ARG A 44 -4.529 -6.668 15.205 1.00 0.00 N ATOM 698 NH2 ARG A 44 -2.611 -7.856 15.671 1.00 0.00 N ATOM 0 H ARG A 44 -3.952 -1.968 9.404 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.281 -4.759 10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.421 -2.434 11.491 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.894 -2.818 12.359 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.707 -4.875 11.836 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.736 -3.869 13.270 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.028 -4.764 13.818 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.930 -5.815 12.419 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.620 -6.476 13.774 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.021 -5.964 14.655 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.016 -7.164 15.951 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.631 -8.064 15.479 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.100 -8.351 16.417 1.00 0.00 H new ATOM 712 N ASP A 45 -5.614 -4.317 11.841 1.00 0.00 N ATOM 713 CA ASP A 45 -7.023 -4.522 12.112 1.00 0.00 C ATOM 714 C ASP A 45 -7.392 -3.873 13.449 1.00 0.00 C ATOM 715 O ASP A 45 -8.093 -4.448 14.273 1.00 0.00 O ATOM 716 CB ASP A 45 -7.307 -6.019 12.150 1.00 0.00 C ATOM 717 CG ASP A 45 -7.919 -6.467 10.821 1.00 0.00 C ATOM 718 OD1 ASP A 45 -7.635 -5.838 9.803 1.00 0.00 O ATOM 719 OD2 ASP A 45 -8.672 -7.439 10.820 1.00 0.00 O ATOM 0 H ASP A 45 -4.985 -4.453 12.632 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.624 -4.062 11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.385 -6.568 12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.988 -6.248 12.970 1.00 0.00 H new ATOM 724 N ASN A 46 -6.873 -2.641 13.602 1.00 0.00 N ATOM 725 CA ASN A 46 -7.152 -1.914 14.830 1.00 0.00 C ATOM 726 C ASN A 46 -6.417 -0.574 14.806 1.00 0.00 C ATOM 727 O ASN A 46 -5.215 -0.500 14.583 1.00 0.00 O ATOM 728 CB ASN A 46 -6.709 -2.744 16.032 1.00 0.00 C ATOM 729 CG ASN A 46 -7.918 -3.443 16.658 1.00 0.00 C ATOM 730 OD1 ASN A 46 -9.024 -3.418 16.132 1.00 0.00 O ATOM 731 ND2 ASN A 46 -7.625 -4.063 17.815 1.00 0.00 N ATOM 0 H ASN A 46 -6.288 -2.156 12.922 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.223 -1.728 14.911 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.971 -3.484 15.722 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.227 -2.103 16.770 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.354 -4.563 18.325 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.674 -4.034 18.183 1.00 0.00 H new ATOM 738 N ASN A 47 -7.225 0.473 15.051 1.00 0.00 N ATOM 739 CA ASN A 47 -6.651 1.807 15.057 1.00 0.00 C ATOM 740 C ASN A 47 -6.150 2.150 13.655 1.00 0.00 C ATOM 741 O ASN A 47 -5.063 1.761 13.243 1.00 0.00 O ATOM 742 CB ASN A 47 -5.508 1.865 16.066 1.00 0.00 C ATOM 743 CG ASN A 47 -5.023 3.308 16.221 1.00 0.00 C ATOM 744 OD1 ASN A 47 -4.177 3.790 15.478 1.00 0.00 O ATOM 745 ND2 ASN A 47 -5.619 3.955 17.238 1.00 0.00 N ATOM 0 H ASN A 47 -8.226 0.418 15.237 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.408 2.536 15.346 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.842 1.479 17.029 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.687 1.230 15.735 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.374 4.925 17.439 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.316 3.476 17.809 1.00 0.00 H new ATOM 752 N GLY A 48 -7.017 2.905 12.959 1.00 0.00 N ATOM 753 CA GLY A 48 -6.666 3.300 11.609 1.00 0.00 C ATOM 754 C GLY A 48 -5.270 3.925 11.562 1.00 0.00 C ATOM 755 O GLY A 48 -5.043 5.036 12.025 1.00 0.00 O ATOM 0 H GLY A 48 -7.921 3.235 13.298 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.701 2.431 10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.400 4.013 11.233 1.00 0.00 H new ATOM 759 N SER A 49 -4.359 3.132 10.969 1.00 0.00 N ATOM 760 CA SER A 49 -2.991 3.608 10.859 1.00 0.00 C ATOM 761 C SER A 49 -2.264 2.821 9.768 1.00 0.00 C ATOM 762 O SER A 49 -1.448 1.948 10.037 1.00 0.00 O ATOM 763 CB SER A 49 -2.288 3.441 12.203 1.00 0.00 C ATOM 764 OG SER A 49 -2.983 4.126 13.214 1.00 0.00 O ATOM 0 H SER A 49 -4.541 2.207 10.580 1.00 0.00 H new ATOM 0 HA SER A 49 -2.985 4.664 10.589 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.220 2.383 12.454 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.268 3.819 12.135 1.00 0.00 H new ATOM 0 HG SER A 49 -3.251 3.494 13.913 1.00 0.00 H new ATOM 770 N TYR A 50 -2.615 3.194 8.524 1.00 0.00 N ATOM 771 CA TYR A 50 -1.993 2.517 7.393 1.00 0.00 C ATOM 772 C TYR A 50 -1.082 3.503 6.663 1.00 0.00 C ATOM 773 O TYR A 50 -0.873 4.630 7.096 1.00 0.00 O ATOM 774 CB TYR A 50 -3.065 1.990 6.431 1.00 0.00 C ATOM 775 CG TYR A 50 -4.154 1.230 7.140 1.00 0.00 C ATOM 776 CD1 TYR A 50 -3.912 0.620 8.396 1.00 0.00 C ATOM 777 CD2 TYR A 50 -5.437 1.112 6.551 1.00 0.00 C ATOM 778 CE1 TYR A 50 -4.937 -0.098 9.052 1.00 0.00 C ATOM 779 CE2 TYR A 50 -6.463 0.394 7.207 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.213 -0.211 8.457 1.00 0.00 C ATOM 781 OH TYR A 50 -7.214 -0.913 9.097 1.00 0.00 O ATOM 0 H TYR A 50 -3.290 3.922 8.291 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.409 1.672 7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.505 2.827 5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.597 1.341 5.691 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.938 0.704 8.855 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.633 1.574 5.594 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.745 -0.561 10.009 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.438 0.309 6.751 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.901 -1.820 9.296 1.00 0.00 H new ATOM 791 N ALA A 51 -0.558 3.003 5.527 1.00 0.00 N ATOM 792 CA ALA A 51 0.314 3.855 4.736 1.00 0.00 C ATOM 793 C ALA A 51 0.820 3.096 3.507 1.00 0.00 C ATOM 794 O ALA A 51 1.478 2.066 3.599 1.00 0.00 O ATOM 795 CB ALA A 51 1.485 4.339 5.590 1.00 0.00 C ATOM 0 H ALA A 51 -0.718 2.064 5.161 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.250 4.723 4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.134 4.977 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.105 4.905 6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.052 3.481 5.950 1.00 0.00 H new ATOM 801 N LEU A 52 0.452 3.688 2.357 1.00 0.00 N ATOM 802 CA LEU A 52 0.864 3.106 1.084 1.00 0.00 C ATOM 803 C LEU A 52 2.313 3.504 0.803 1.00 0.00 C ATOM 804 O LEU A 52 2.701 4.643 0.977 1.00 0.00 O ATOM 805 CB LEU A 52 -0.070 3.628 -0.011 1.00 0.00 C ATOM 806 CG LEU A 52 0.649 3.917 -1.335 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.155 2.617 -1.968 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.312 4.614 -2.292 1.00 0.00 C ATOM 0 H LEU A 52 -0.109 4.537 2.289 1.00 0.00 H new ATOM 0 HA LEU A 52 0.804 2.018 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.858 2.896 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.554 4.540 0.338 1.00 0.00 H new ATOM 0 HG LEU A 52 1.505 4.563 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.662 2.842 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.852 2.128 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.312 1.954 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.198 4.820 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.171 3.970 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.650 5.551 -1.850 1.00 0.00 H new ATOM 820 N CYS A 53 3.085 2.498 0.354 1.00 0.00 N ATOM 821 CA CYS A 53 4.481 2.796 0.073 1.00 0.00 C ATOM 822 C CYS A 53 4.870 2.318 -1.325 1.00 0.00 C ATOM 823 O CYS A 53 4.859 1.135 -1.629 1.00 0.00 O ATOM 824 CB CYS A 53 5.365 2.120 1.118 1.00 0.00 C ATOM 825 SG CYS A 53 4.953 2.609 2.811 1.00 0.00 S ATOM 0 H CYS A 53 2.785 1.537 0.190 1.00 0.00 H new ATOM 0 HA CYS A 53 4.623 3.876 0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.268 1.038 1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.408 2.365 0.918 1.00 0.00 H new ATOM 0 HG CYS A 53 3.691 2.390 3.031 1.00 0.00 H new ATOM 831 N LEU A 54 5.235 3.322 -2.143 1.00 0.00 N ATOM 832 CA LEU A 54 5.662 2.990 -3.502 1.00 0.00 C ATOM 833 C LEU A 54 6.929 3.780 -3.824 1.00 0.00 C ATOM 834 O LEU A 54 7.289 4.718 -3.129 1.00 0.00 O ATOM 835 CB LEU A 54 4.546 3.250 -4.520 1.00 0.00 C ATOM 836 CG LEU A 54 4.012 4.684 -4.495 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.290 4.966 -3.182 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.138 5.695 -4.728 1.00 0.00 C ATOM 0 H LEU A 54 5.243 4.313 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 54 5.884 1.925 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.919 3.028 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.723 2.562 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 54 3.295 4.792 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.918 5.991 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.453 4.276 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.982 4.833 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.730 6.706 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.890 5.589 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.597 5.511 -5.699 1.00 0.00 H new ATOM 850 N LEU A 55 7.592 3.335 -4.909 1.00 0.00 N ATOM 851 CA LEU A 55 8.833 4.009 -5.261 1.00 0.00 C ATOM 852 C LEU A 55 8.747 4.646 -6.644 1.00 0.00 C ATOM 853 O LEU A 55 8.173 4.101 -7.579 1.00 0.00 O ATOM 854 CB LEU A 55 9.957 2.989 -5.214 1.00 0.00 C ATOM 855 CG LEU A 55 11.319 3.619 -5.519 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.201 3.671 -4.279 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.023 2.823 -6.604 1.00 0.00 C ATOM 0 H LEU A 55 7.307 2.565 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 55 9.022 4.813 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.985 2.526 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.756 2.195 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 55 11.145 4.640 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.159 4.124 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.711 4.266 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.365 2.660 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.991 3.276 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.168 1.797 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.415 2.824 -7.509 1.00 0.00 H new ATOM 869 N HIS A 56 9.366 5.844 -6.699 1.00 0.00 N ATOM 870 CA HIS A 56 9.377 6.564 -7.959 1.00 0.00 C ATOM 871 C HIS A 56 10.803 6.615 -8.542 1.00 0.00 C ATOM 872 O HIS A 56 11.619 7.454 -8.182 1.00 0.00 O ATOM 873 CB HIS A 56 8.841 7.977 -7.733 1.00 0.00 C ATOM 874 CG HIS A 56 8.902 8.756 -9.027 1.00 0.00 C ATOM 875 ND1 HIS A 56 7.841 8.962 -9.837 1.00 0.00 N ATOM 876 CD2 HIS A 56 10.021 9.383 -9.604 1.00 0.00 C ATOM 877 CE1 HIS A 56 8.290 9.690 -10.874 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.603 9.957 -10.756 1.00 0.00 N ATOM 0 H HIS A 56 9.839 6.303 -5.920 1.00 0.00 H new ATOM 0 HA HIS A 56 8.740 6.045 -8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.814 7.933 -7.371 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.428 8.481 -6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.024 9.403 -9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.674 10.019 -11.698 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.175 10.491 -11.410 1.00 0.00 H new ATOM 886 N GLU A 57 11.033 5.657 -9.464 1.00 0.00 N ATOM 887 CA GLU A 57 12.326 5.603 -10.150 1.00 0.00 C ATOM 888 C GLU A 57 13.536 5.573 -9.203 1.00 0.00 C ATOM 889 O GLU A 57 14.677 5.612 -9.647 1.00 0.00 O ATOM 890 CB GLU A 57 12.425 6.826 -11.040 1.00 0.00 C ATOM 891 CG GLU A 57 11.217 6.940 -11.965 1.00 0.00 C ATOM 892 CD GLU A 57 11.494 7.975 -13.057 1.00 0.00 C ATOM 893 OE1 GLU A 57 11.290 9.162 -12.807 1.00 0.00 O ATOM 894 OE2 GLU A 57 11.911 7.582 -14.146 1.00 0.00 O ATOM 0 H GLU A 57 10.363 4.938 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 57 12.360 4.670 -10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.499 7.722 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.337 6.772 -11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.001 5.972 -12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.336 7.229 -11.393 1.00 0.00 H new ATOM 901 N GLY A 58 13.245 5.504 -7.898 1.00 0.00 N ATOM 902 CA GLY A 58 14.362 5.483 -6.963 1.00 0.00 C ATOM 903 C GLY A 58 14.132 6.388 -5.744 1.00 0.00 C ATOM 904 O GLY A 58 15.066 6.836 -5.091 1.00 0.00 O ATOM 0 H GLY A 58 12.311 5.464 -7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.528 4.460 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.268 5.799 -7.479 1.00 0.00 H new ATOM 908 N LYS A 59 12.836 6.623 -5.490 1.00 0.00 N ATOM 909 CA LYS A 59 12.478 7.443 -4.360 1.00 0.00 C ATOM 910 C LYS A 59 11.313 6.763 -3.673 1.00 0.00 C ATOM 911 O LYS A 59 10.152 6.946 -4.018 1.00 0.00 O ATOM 912 CB LYS A 59 12.081 8.839 -4.813 1.00 0.00 C ATOM 913 CG LYS A 59 13.152 9.484 -5.695 1.00 0.00 C ATOM 914 CD LYS A 59 12.539 10.113 -6.946 1.00 0.00 C ATOM 915 CE LYS A 59 11.888 11.462 -6.637 1.00 0.00 C ATOM 916 NZ LYS A 59 11.168 12.006 -7.783 1.00 0.00 N ATOM 0 H LYS A 59 12.055 6.264 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 59 13.324 7.551 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.141 8.788 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.905 9.467 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.684 10.246 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.887 8.733 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.312 10.246 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.794 9.437 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.200 11.347 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.656 12.170 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.949 13.008 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.758 11.921 -8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.283 11.477 -7.920 1.00 0.00 H new ATOM 930 N VAL A 60 11.707 5.968 -2.682 1.00 0.00 N ATOM 931 CA VAL A 60 10.692 5.232 -1.961 1.00 0.00 C ATOM 932 C VAL A 60 9.827 6.200 -1.183 1.00 0.00 C ATOM 933 O VAL A 60 10.291 7.150 -0.564 1.00 0.00 O ATOM 934 CB VAL A 60 11.324 4.224 -1.014 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.656 4.894 0.312 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.366 3.059 -0.776 1.00 0.00 C ATOM 0 H VAL A 60 12.670 5.825 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 60 10.079 4.686 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 60 12.242 3.846 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.108 4.165 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.355 5.713 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.743 5.284 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.827 2.342 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.441 3.432 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.145 2.570 -1.725 1.00 0.00 H new ATOM 946 N LEU A 61 8.549 5.848 -1.231 1.00 0.00 N ATOM 947 CA LEU A 61 7.575 6.671 -0.565 1.00 0.00 C ATOM 948 C LEU A 61 6.684 5.851 0.323 1.00 0.00 C ATOM 949 O LEU A 61 6.572 4.636 0.217 1.00 0.00 O ATOM 950 CB LEU A 61 6.738 7.387 -1.609 1.00 0.00 C ATOM 951 CG LEU A 61 7.642 7.975 -2.674 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.843 8.771 -3.701 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.685 8.848 -1.998 1.00 0.00 C ATOM 0 H LEU A 61 8.181 5.026 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 61 8.098 7.394 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.031 6.692 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.152 8.177 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 61 8.136 7.168 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.520 9.180 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.118 8.116 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.319 9.586 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.344 9.278 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.189 9.649 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.272 8.244 -1.306 1.00 0.00 H new ATOM 965 N HIS A 62 6.056 6.632 1.200 1.00 0.00 N ATOM 966 CA HIS A 62 5.139 6.016 2.148 1.00 0.00 C ATOM 967 C HIS A 62 4.068 7.026 2.552 1.00 0.00 C ATOM 968 O HIS A 62 4.277 7.824 3.438 1.00 0.00 O ATOM 969 CB HIS A 62 5.881 5.566 3.423 1.00 0.00 C ATOM 970 CG HIS A 62 7.225 4.926 3.113 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.508 3.616 3.309 1.00 0.00 N ATOM 972 CD2 HIS A 62 8.397 5.559 2.659 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.807 3.454 2.991 1.00 0.00 C ATOM 974 NE2 HIS A 62 9.362 4.612 2.595 1.00 0.00 N ATOM 0 H HIS A 62 6.158 7.644 1.273 1.00 0.00 H new ATOM 0 HA HIS A 62 4.690 5.147 1.666 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.032 6.426 4.075 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.261 4.856 3.970 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.864 2.894 3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.506 6.604 2.409 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.335 2.514 3.047 1.00 0.00 H new ATOM 982 N TYR A 63 2.922 6.958 1.848 1.00 0.00 N ATOM 983 CA TYR A 63 1.840 7.862 2.218 1.00 0.00 C ATOM 984 C TYR A 63 1.073 7.234 3.375 1.00 0.00 C ATOM 985 O TYR A 63 1.203 6.053 3.663 1.00 0.00 O ATOM 986 CB TYR A 63 0.890 8.083 1.042 1.00 0.00 C ATOM 987 CG TYR A 63 1.610 8.620 -0.151 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.838 10.011 -0.289 1.00 0.00 C ATOM 989 CD2 TYR A 63 2.079 7.739 -1.150 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.531 10.505 -1.411 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.771 8.237 -2.271 1.00 0.00 C ATOM 992 CZ TYR A 63 2.998 9.620 -2.404 1.00 0.00 C ATOM 993 OH TYR A 63 3.675 10.108 -3.502 1.00 0.00 O ATOM 0 H TYR A 63 2.735 6.326 1.070 1.00 0.00 H new ATOM 0 HA TYR A 63 2.256 8.827 2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.406 7.142 0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.102 8.777 1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.480 10.694 0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.906 6.677 -1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.705 11.566 -1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.128 7.557 -3.030 1.00 0.00 H new ATOM 0 HH TYR A 63 4.131 9.371 -3.959 1.00 0.00 H new ATOM 1003 N ARG A 64 0.265 8.094 4.013 1.00 0.00 N ATOM 1004 CA ARG A 64 -0.528 7.590 5.119 1.00 0.00 C ATOM 1005 C ARG A 64 -1.884 7.145 4.575 1.00 0.00 C ATOM 1006 O ARG A 64 -2.215 7.362 3.417 1.00 0.00 O ATOM 1007 CB ARG A 64 -0.720 8.676 6.174 1.00 0.00 C ATOM 1008 CG ARG A 64 0.567 8.947 6.948 1.00 0.00 C ATOM 1009 CD ARG A 64 0.281 9.594 8.303 1.00 0.00 C ATOM 1010 NE ARG A 64 1.516 9.788 9.039 1.00 0.00 N ATOM 1011 CZ ARG A 64 1.467 10.428 10.223 1.00 0.00 C ATOM 1012 NH1 ARG A 64 0.302 10.863 10.698 1.00 0.00 N ATOM 1013 NH2 ARG A 64 2.583 10.624 10.918 1.00 0.00 N ATOM 0 H ARG A 64 0.152 9.083 3.793 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.016 6.749 5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.055 9.595 5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.505 8.374 6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.107 8.012 7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.215 9.599 6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.218 10.552 8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.398 8.965 8.878 1.00 0.00 H new ATOM 0 HE ARG A 64 2.403 9.447 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.554 10.712 10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.266 11.348 11.595 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.476 10.290 10.554 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.547 11.109 11.815 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.639 6.516 5.489 1.00 0.00 N ATOM 1028 CA ILE A 65 -3.960 6.053 5.099 1.00 0.00 C ATOM 1029 C ILE A 65 -4.783 5.761 6.353 1.00 0.00 C ATOM 1030 O ILE A 65 -4.315 5.152 7.307 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.834 4.807 4.221 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.645 5.214 2.762 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.075 3.921 4.356 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.219 4.953 2.282 1.00 0.00 C ATOM 0 H ILE A 65 -2.368 6.327 6.454 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.469 6.824 4.521 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.965 4.239 4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.346 4.662 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.880 6.272 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.964 3.041 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.188 3.609 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.957 4.481 4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.125 5.256 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.520 5.526 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.993 3.891 2.373 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.038 6.242 6.282 1.00 0.00 N ATOM 1047 CA ASP A 66 -6.922 6.035 7.412 1.00 0.00 C ATOM 1048 C ASP A 66 -8.311 5.657 6.917 1.00 0.00 C ATOM 1049 O ASP A 66 -8.451 4.839 6.036 1.00 0.00 O ATOM 1050 CB ASP A 66 -6.946 7.303 8.267 1.00 0.00 C ATOM 1051 CG ASP A 66 -7.551 6.997 9.639 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -7.212 5.964 10.211 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -8.354 7.796 10.118 1.00 0.00 O ATOM 0 H ASP A 66 -6.436 6.750 5.492 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.561 5.214 8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.934 7.691 8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.529 8.077 7.768 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.299 6.240 7.623 1.00 0.00 N ATOM 1059 CA LYS A 67 -10.681 6.028 7.282 1.00 0.00 C ATOM 1060 C LYS A 67 -11.491 7.248 7.735 1.00 0.00 C ATOM 1061 O LYS A 67 -11.035 8.383 7.659 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.132 4.756 7.985 1.00 0.00 C ATOM 1063 CG LYS A 67 -11.195 4.944 9.498 1.00 0.00 C ATOM 1064 CD LYS A 67 -10.982 3.620 10.231 1.00 0.00 C ATOM 1065 CE LYS A 67 -12.211 2.717 10.122 1.00 0.00 C ATOM 1066 NZ LYS A 67 -11.945 1.358 10.579 1.00 0.00 N ATOM 0 H LYS A 67 -9.147 6.854 8.424 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.827 5.912 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.113 4.462 7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.445 3.944 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.435 5.661 9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.162 5.364 9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.114 3.108 9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.764 3.815 11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.024 3.142 10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.547 2.690 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.808 0.785 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.187 0.940 10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.650 1.379 11.576 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.710 6.943 8.210 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.564 8.032 8.670 1.00 0.00 C ATOM 1082 C ASP A 68 -14.511 7.524 9.756 1.00 0.00 C ATOM 1083 O ASP A 68 -15.691 7.852 9.790 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.359 8.579 7.489 1.00 0.00 C ATOM 1085 CG ASP A 68 -14.423 10.106 7.569 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -15.297 10.621 8.264 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -13.598 10.761 6.934 1.00 0.00 O ATOM 0 H ASP A 68 -13.104 6.005 8.281 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.950 8.829 9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.892 8.274 6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.366 8.163 7.493 1.00 0.00 H new ATOM 1092 N LYS A 69 -13.913 6.699 10.637 1.00 0.00 N ATOM 1093 CA LYS A 69 -14.708 6.120 11.718 1.00 0.00 C ATOM 1094 C LYS A 69 -16.077 5.665 11.200 1.00 0.00 C ATOM 1095 O LYS A 69 -17.073 5.650 11.913 1.00 0.00 O ATOM 1096 CB LYS A 69 -14.863 7.140 12.841 1.00 0.00 C ATOM 1097 CG LYS A 69 -13.609 7.211 13.712 1.00 0.00 C ATOM 1098 CD LYS A 69 -12.335 7.164 12.868 1.00 0.00 C ATOM 1099 CE LYS A 69 -11.084 7.322 13.732 1.00 0.00 C ATOM 1100 NZ LYS A 69 -9.855 7.127 12.972 1.00 0.00 N ATOM 0 H LYS A 69 -12.929 6.432 10.621 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.193 5.242 12.108 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.068 8.122 12.416 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.721 6.875 13.458 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.624 8.130 14.298 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.609 6.381 14.419 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.289 6.218 12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.364 7.956 12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.078 8.316 14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.119 6.604 14.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.035 7.244 13.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.846 6.169 12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.806 7.828 12.205 1.00 0.00 H new ATOM 1114 N THR A 70 -16.038 5.299 9.915 1.00 0.00 N ATOM 1115 CA THR A 70 -17.221 4.815 9.259 1.00 0.00 C ATOM 1116 C THR A 70 -16.968 3.381 8.784 1.00 0.00 C ATOM 1117 O THR A 70 -17.872 2.562 8.670 1.00 0.00 O ATOM 1118 CB THR A 70 -17.467 5.717 8.062 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.321 6.771 8.428 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.055 4.951 6.890 1.00 0.00 C ATOM 0 H THR A 70 -15.204 5.334 9.329 1.00 0.00 H new ATOM 0 HA THR A 70 -18.082 4.821 9.927 1.00 0.00 H new ATOM 0 HB THR A 70 -16.505 6.119 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.813 7.447 8.924 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.216 5.632 6.054 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.366 4.163 6.588 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.006 4.508 7.185 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.667 3.151 8.518 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.270 1.856 8.028 1.00 0.00 C ATOM 1130 C GLY A 71 -14.503 1.959 6.700 1.00 0.00 C ATOM 1131 O GLY A 71 -13.791 1.049 6.293 1.00 0.00 O ATOM 0 H GLY A 71 -14.913 3.828 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.645 1.362 8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.154 1.233 7.890 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.702 3.127 6.066 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.043 3.360 4.795 1.00 0.00 C ATOM 1137 C LYS A 72 -12.722 4.079 5.043 1.00 0.00 C ATOM 1138 O LYS A 72 -12.660 5.098 5.717 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.954 4.189 3.896 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.340 3.556 3.780 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.224 4.309 2.788 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.614 3.681 2.690 1.00 0.00 C ATOM 1143 NZ LYS A 72 -19.453 4.341 1.698 1.00 0.00 N ATOM 0 H LYS A 72 -15.291 3.888 6.404 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.838 2.412 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.045 5.198 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.508 4.279 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.240 2.518 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.819 3.546 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.315 5.350 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.753 4.308 1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.516 2.626 2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.101 3.729 3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.385 3.879 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.571 5.342 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.004 4.273 0.763 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.682 3.503 4.416 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.364 4.074 4.597 1.00 0.00 C ATOM 1159 C LEU A 73 -10.250 5.328 3.729 1.00 0.00 C ATOM 1160 O LEU A 73 -11.042 5.546 2.822 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.315 3.042 4.178 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.759 1.612 4.492 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.680 0.618 4.065 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -10.064 1.458 5.984 1.00 0.00 C ATOM 0 H LEU A 73 -11.734 2.683 3.811 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.202 4.343 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.122 3.135 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.376 3.251 4.691 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.670 1.402 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.008 -0.396 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.505 0.709 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.756 0.830 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.378 0.434 6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.169 1.685 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.862 2.145 6.265 1.00 0.00 H new ATOM 1176 N SER A 74 -9.227 6.142 4.055 1.00 0.00 N ATOM 1177 CA SER A 74 -9.069 7.350 3.270 1.00 0.00 C ATOM 1178 C SER A 74 -7.704 7.977 3.525 1.00 0.00 C ATOM 1179 O SER A 74 -7.200 8.018 4.641 1.00 0.00 O ATOM 1180 CB SER A 74 -10.181 8.332 3.630 1.00 0.00 C ATOM 1181 OG SER A 74 -10.045 8.770 4.958 1.00 0.00 O ATOM 0 H SER A 74 -8.550 5.991 4.803 1.00 0.00 H new ATOM 0 HA SER A 74 -9.135 7.102 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.151 9.187 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.152 7.855 3.497 1.00 0.00 H new ATOM 0 HG SER A 74 -10.760 8.383 5.505 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.153 8.461 2.403 1.00 0.00 N ATOM 1188 CA ILE A 75 -5.856 9.104 2.472 1.00 0.00 C ATOM 1189 C ILE A 75 -6.059 10.591 2.764 1.00 0.00 C ATOM 1190 O ILE A 75 -6.981 11.220 2.258 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.163 8.940 1.123 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.370 7.530 0.567 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -3.672 9.259 1.219 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.368 7.215 -0.548 1.00 0.00 C ATOM 0 H ILE A 75 -7.574 8.418 1.475 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.248 8.657 3.258 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.618 9.653 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.263 6.801 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.386 7.434 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.209 9.132 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.541 10.289 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.201 8.584 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.543 6.206 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.493 7.929 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.353 7.286 -0.156 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.150 11.127 3.608 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.179 12.528 3.970 1.00 0.00 C ATOM 1208 C PRO A 76 -5.226 13.414 2.728 1.00 0.00 C ATOM 1209 O PRO A 76 -6.163 14.168 2.497 1.00 0.00 O ATOM 1210 CB PRO A 76 -3.885 12.775 4.749 1.00 0.00 C ATOM 1211 CG PRO A 76 -3.221 11.405 4.967 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.066 10.374 4.213 1.00 0.00 C ATOM 0 HA PRO A 76 -6.065 12.768 4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.223 13.440 4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.096 13.257 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.196 11.410 4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.174 11.163 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.474 9.861 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.449 9.610 4.890 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.145 13.255 1.953 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.045 14.018 0.719 1.00 0.00 C ATOM 1222 C GLU A 77 -4.489 13.159 -0.477 1.00 0.00 C ATOM 1223 O GLU A 77 -5.018 13.660 -1.461 1.00 0.00 O ATOM 1224 CB GLU A 77 -2.606 14.488 0.533 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.157 15.386 1.686 1.00 0.00 C ATOM 1226 CD GLU A 77 -0.695 15.790 1.490 1.00 0.00 C ATOM 1227 OE1 GLU A 77 0.175 14.932 1.633 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -0.442 16.957 1.197 1.00 0.00 O ATOM 0 H GLU A 77 -3.363 12.631 2.152 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.702 14.886 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.946 13.624 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.518 15.031 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.786 16.275 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.275 14.862 2.634 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.235 11.841 -0.324 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.607 10.924 -1.391 1.00 0.00 C ATOM 1237 C GLY A 78 -6.071 11.116 -1.810 1.00 0.00 C ATOM 1238 O GLY A 78 -6.447 12.118 -2.407 1.00 0.00 O ATOM 0 H GLY A 78 -3.795 11.416 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.957 11.082 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.453 9.897 -1.060 1.00 0.00 H new ATOM 1242 N LYS A 79 -6.862 10.082 -1.461 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.272 10.135 -1.800 1.00 0.00 C ATOM 1244 C LYS A 79 -9.108 9.559 -0.654 1.00 0.00 C ATOM 1245 O LYS A 79 -8.853 9.779 0.524 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.504 9.330 -3.077 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.782 9.757 -3.792 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.486 10.771 -4.896 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.747 11.121 -5.688 1.00 0.00 C ATOM 1250 NZ LYS A 79 -10.520 12.194 -6.649 1.00 0.00 N ATOM 0 H LYS A 79 -6.556 9.243 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.573 11.170 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.653 9.457 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.561 8.269 -2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.272 8.882 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.476 10.191 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.068 11.677 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.732 10.366 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.100 10.234 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.536 11.417 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.403 12.395 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.209 13.050 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.786 11.904 -7.326 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.120 8.808 -1.109 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.030 8.168 -0.168 1.00 0.00 C ATOM 1266 C LYS A 80 -11.443 6.811 -0.739 1.00 0.00 C ATOM 1267 O LYS A 80 -11.740 6.680 -1.920 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.253 9.055 0.044 1.00 0.00 C ATOM 1269 CG LYS A 80 -11.889 10.341 0.784 1.00 0.00 C ATOM 1270 CD LYS A 80 -13.068 11.310 0.837 1.00 0.00 C ATOM 1271 CE LYS A 80 -12.823 12.429 1.846 1.00 0.00 C ATOM 1272 NZ LYS A 80 -13.833 13.476 1.772 1.00 0.00 N ATOM 0 H LYS A 80 -10.321 8.636 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.541 8.022 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.697 9.302 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.007 8.508 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.569 10.100 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.045 10.820 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.233 11.739 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.975 10.768 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.811 12.010 2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.839 12.864 1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.622 14.212 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.829 13.896 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.770 13.069 1.966 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.441 5.809 0.164 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.796 4.491 -0.293 1.00 0.00 C ATOM 1288 C PHE A 81 -12.517 3.701 0.798 1.00 0.00 C ATOM 1289 O PHE A 81 -12.600 4.099 1.954 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.518 3.783 -0.684 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.937 4.382 -1.928 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.523 4.112 -3.186 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.801 5.225 -1.858 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.981 4.675 -4.362 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.257 5.788 -3.035 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.848 5.513 -4.287 1.00 0.00 C ATOM 0 H PHE A 81 -11.209 5.896 1.153 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.476 4.567 -1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.796 3.851 0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.718 2.724 -0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.390 3.471 -3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.348 5.439 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.434 4.464 -5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.389 6.428 -2.976 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.434 5.943 -5.187 1.00 0.00 H new ATOM 1306 N ASP A 82 -13.013 2.540 0.337 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.726 1.667 1.251 1.00 0.00 C ATOM 1308 C ASP A 82 -12.717 0.819 2.020 1.00 0.00 C ATOM 1309 O ASP A 82 -12.729 0.748 3.243 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.685 0.778 0.463 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.409 -0.177 1.414 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.905 0.282 2.441 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.469 -1.369 1.116 1.00 0.00 O ATOM 0 H ASP A 82 -12.933 2.204 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.305 2.259 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.410 1.393 -0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.135 0.210 -0.288 1.00 0.00 H new ATOM 1318 N THR A 83 -11.844 0.182 1.216 1.00 0.00 N ATOM 1319 CA THR A 83 -10.827 -0.644 1.813 1.00 0.00 C ATOM 1320 C THR A 83 -9.568 -0.494 0.979 1.00 0.00 C ATOM 1321 O THR A 83 -9.579 0.067 -0.111 1.00 0.00 O ATOM 1322 CB THR A 83 -11.289 -2.100 1.841 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.464 -2.558 0.523 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.594 -2.267 2.619 1.00 0.00 C ATOM 0 H THR A 83 -11.835 0.230 0.197 1.00 0.00 H new ATOM 0 HA THR A 83 -10.632 -0.339 2.841 1.00 0.00 H new ATOM 0 HB THR A 83 -10.523 -2.687 2.347 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.759 -3.493 0.538 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.888 -3.317 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.450 -1.934 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.376 -1.669 2.151 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.488 -1.026 1.551 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.238 -0.955 0.866 1.00 0.00 C ATOM 1334 C LEU A 84 -7.263 -1.712 -0.461 1.00 0.00 C ATOM 1335 O LEU A 84 -6.298 -1.731 -1.208 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.227 -1.568 1.795 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.386 -0.513 2.497 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.335 -1.181 3.375 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.732 0.411 1.475 1.00 0.00 C ATOM 0 H LEU A 84 -8.470 -1.492 2.458 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.999 0.079 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.741 -2.177 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.575 -2.236 1.232 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.034 0.090 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.738 -0.417 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.827 -1.802 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.687 -1.802 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.134 1.161 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.091 -0.173 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.504 0.906 0.886 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.419 -2.329 -0.688 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.597 -3.072 -1.922 1.00 0.00 C ATOM 1353 C TRP A 85 -9.042 -2.123 -3.017 1.00 0.00 C ATOM 1354 O TRP A 85 -8.751 -2.296 -4.194 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.674 -4.122 -1.703 1.00 0.00 C ATOM 1356 CG TRP A 85 -9.116 -5.497 -1.975 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -8.700 -5.967 -3.219 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.922 -6.553 -1.033 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -8.262 -7.255 -3.093 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -8.380 -7.660 -1.758 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -9.156 -6.653 0.332 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -8.082 -8.849 -1.107 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -8.854 -7.862 1.008 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -8.317 -8.962 0.287 1.00 0.00 C ATOM 0 H TRP A 85 -9.219 -2.329 -0.055 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.660 -3.548 -2.212 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -10.045 -4.067 -0.679 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -10.522 -3.928 -2.360 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.721 -5.402 -4.139 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.904 -7.832 -3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.566 -5.815 0.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -7.674 -9.683 -1.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.032 -7.947 2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -8.088 -9.884 0.800 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.769 -1.111 -2.537 1.00 0.00 N ATOM 1376 CA GLN A 86 -10.271 -0.130 -3.470 1.00 0.00 C ATOM 1377 C GLN A 86 -9.235 0.955 -3.656 1.00 0.00 C ATOM 1378 O GLN A 86 -8.971 1.410 -4.751 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.592 0.446 -2.965 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.688 -0.619 -2.916 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.960 -1.149 -4.326 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -12.504 -0.602 -5.322 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -13.734 -2.249 -4.333 1.00 0.00 N ATOM 0 H GLN A 86 -10.008 -0.961 -1.557 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.461 -0.600 -4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.449 0.868 -1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.906 1.262 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.384 -1.437 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.600 -0.196 -2.494 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.072 -2.640 -3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.983 -2.692 -5.218 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.655 1.328 -2.524 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.644 2.351 -2.607 1.00 0.00 C ATOM 1394 C LEU A 87 -6.444 1.846 -3.404 1.00 0.00 C ATOM 1395 O LEU A 87 -5.740 2.615 -4.039 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.237 2.749 -1.189 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.114 3.783 -1.172 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.979 4.386 0.226 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.794 3.141 -1.598 1.00 0.00 C ATOM 0 H LEU A 87 -8.855 0.960 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.037 3.225 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.104 3.150 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.917 1.861 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.358 4.577 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.175 5.123 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.915 4.869 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.750 3.597 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.003 3.890 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.544 2.333 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.893 2.741 -2.607 1.00 0.00 H new ATOM 1411 N VAL A 88 -6.268 0.514 -3.356 1.00 0.00 N ATOM 1412 CA VAL A 88 -5.163 -0.050 -4.063 1.00 0.00 C ATOM 1413 C VAL A 88 -5.530 -0.294 -5.506 1.00 0.00 C ATOM 1414 O VAL A 88 -4.774 0.003 -6.409 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.790 -1.369 -3.435 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.985 -2.173 -4.434 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -4.007 -1.150 -2.148 1.00 0.00 C ATOM 0 H VAL A 88 -6.860 -0.146 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.327 0.647 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.693 -1.921 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.708 -3.130 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.583 -2.346 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.083 -1.623 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.748 -2.114 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.095 -0.594 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.616 -0.584 -1.443 1.00 0.00 H new ATOM 1427 N GLU A 89 -6.715 -0.898 -5.666 1.00 0.00 N ATOM 1428 CA GLU A 89 -7.111 -1.200 -7.023 1.00 0.00 C ATOM 1429 C GLU A 89 -7.301 0.079 -7.805 1.00 0.00 C ATOM 1430 O GLU A 89 -6.892 0.205 -8.952 1.00 0.00 O ATOM 1431 CB GLU A 89 -8.377 -2.012 -7.020 1.00 0.00 C ATOM 1432 CG GLU A 89 -9.554 -1.246 -6.455 1.00 0.00 C ATOM 1433 CD GLU A 89 -10.447 -0.744 -7.591 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -11.200 -1.544 -8.144 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -10.380 0.443 -7.909 1.00 0.00 O ATOM 0 H GLU A 89 -7.365 -1.166 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.325 -1.784 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.606 -2.326 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.222 -2.918 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.128 -1.887 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.199 -0.404 -5.861 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.946 1.017 -7.111 1.00 0.00 N ATOM 1443 CA HIS A 90 -8.182 2.279 -7.780 1.00 0.00 C ATOM 1444 C HIS A 90 -6.864 2.862 -8.204 1.00 0.00 C ATOM 1445 O HIS A 90 -6.631 3.191 -9.353 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.892 3.252 -6.859 1.00 0.00 C ATOM 1447 CG HIS A 90 -9.685 4.235 -7.688 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -10.677 3.881 -8.534 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -9.549 5.634 -7.733 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -11.136 5.021 -9.079 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -10.471 6.093 -8.612 1.00 0.00 N ATOM 0 H HIS A 90 -8.290 0.934 -6.154 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.814 2.104 -8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.554 2.713 -6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.167 3.781 -6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.843 6.229 -7.173 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.938 5.070 -9.801 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.631 7.067 -8.871 1.00 0.00 H new ATOM 1459 N TYR A 91 -6.037 2.980 -7.183 1.00 0.00 N ATOM 1460 CA TYR A 91 -4.720 3.520 -7.431 1.00 0.00 C ATOM 1461 C TYR A 91 -3.975 2.628 -8.423 1.00 0.00 C ATOM 1462 O TYR A 91 -3.064 3.063 -9.115 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.961 3.661 -6.129 1.00 0.00 C ATOM 1464 CG TYR A 91 -4.278 4.986 -5.478 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.568 5.560 -5.625 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -3.306 5.671 -4.706 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.884 6.788 -5.008 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.628 6.905 -4.089 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.914 7.460 -4.239 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.222 8.661 -3.635 1.00 0.00 O ATOM 0 H TYR A 91 -6.241 2.722 -6.218 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.809 4.513 -7.871 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.225 2.845 -5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.890 3.587 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.315 5.051 -6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.318 5.251 -4.588 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.870 7.213 -5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.884 7.422 -3.501 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.653 9.368 -4.004 1.00 0.00 H new ATOM 1480 N SER A 92 -4.408 1.349 -8.456 1.00 0.00 N ATOM 1481 CA SER A 92 -3.788 0.458 -9.420 1.00 0.00 C ATOM 1482 C SER A 92 -4.027 1.008 -10.830 1.00 0.00 C ATOM 1483 O SER A 92 -3.397 0.612 -11.804 1.00 0.00 O ATOM 1484 CB SER A 92 -4.431 -0.900 -9.287 1.00 0.00 C ATOM 1485 OG SER A 92 -3.471 -1.925 -9.334 1.00 0.00 O ATOM 0 H SER A 92 -5.134 0.944 -7.865 1.00 0.00 H new ATOM 0 HA SER A 92 -2.715 0.381 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.979 -0.955 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.157 -1.041 -10.088 1.00 0.00 H new ATOM 0 HG SER A 92 -3.915 -2.794 -9.244 1.00 0.00 H new ATOM 1491 N TYR A 93 -4.987 1.949 -10.850 1.00 0.00 N ATOM 1492 CA TYR A 93 -5.351 2.575 -12.097 1.00 0.00 C ATOM 1493 C TYR A 93 -4.455 3.772 -12.315 1.00 0.00 C ATOM 1494 O TYR A 93 -3.767 3.906 -13.316 1.00 0.00 O ATOM 1495 CB TYR A 93 -6.792 3.063 -12.009 1.00 0.00 C ATOM 1496 CG TYR A 93 -7.750 1.975 -11.609 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -7.378 0.609 -11.694 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -9.039 2.312 -11.134 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -8.286 -0.404 -11.312 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -9.948 1.299 -10.752 1.00 0.00 C ATOM 1501 CZ TYR A 93 -9.572 -0.059 -10.841 1.00 0.00 C ATOM 1502 OH TYR A 93 -10.460 -1.048 -10.469 1.00 0.00 O ATOM 0 H TYR A 93 -5.503 2.274 -10.032 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.246 1.862 -12.915 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.852 3.878 -11.287 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.093 3.470 -12.974 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.395 0.342 -12.053 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.330 3.349 -11.063 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.997 -1.442 -11.380 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.931 1.564 -10.392 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.121 -0.677 -9.848 1.00 0.00 H new ATOM 1512 N LYS A 94 -4.583 4.651 -11.312 1.00 0.00 N ATOM 1513 CA LYS A 94 -3.818 5.860 -11.310 1.00 0.00 C ATOM 1514 C LYS A 94 -3.150 6.091 -9.972 1.00 0.00 C ATOM 1515 O LYS A 94 -3.268 5.336 -9.019 1.00 0.00 O ATOM 1516 CB LYS A 94 -4.779 6.994 -11.522 1.00 0.00 C ATOM 1517 CG LYS A 94 -5.973 6.873 -10.567 1.00 0.00 C ATOM 1518 CD LYS A 94 -7.008 7.971 -10.806 1.00 0.00 C ATOM 1519 CE LYS A 94 -8.202 7.446 -11.605 1.00 0.00 C ATOM 1520 NZ LYS A 94 -9.231 8.461 -11.798 1.00 0.00 N ATOM 0 H LYS A 94 -5.205 4.532 -10.512 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.053 5.794 -12.084 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.271 7.944 -11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.130 6.993 -12.554 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.443 5.898 -10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.620 6.925 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.352 8.363 -9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.545 8.799 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.858 7.092 -12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.633 6.589 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.019 8.057 -12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.580 8.782 -10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.829 9.269 -12.315 1.00 0.00 H new ATOM 1534 N ALA A 95 -2.452 7.218 -9.999 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.770 7.665 -8.801 1.00 0.00 C ATOM 1536 C ALA A 95 -2.792 8.354 -7.890 1.00 0.00 C ATOM 1537 O ALA A 95 -2.851 8.123 -6.692 1.00 0.00 O ATOM 1538 CB ALA A 95 -0.648 8.630 -9.180 1.00 0.00 C ATOM 0 H ALA A 95 -2.346 7.822 -10.814 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.329 6.819 -8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.136 8.965 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.062 8.123 -9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.069 9.491 -9.700 1.00 0.00 H new ATOM 1544 N ASP A 96 -3.604 9.203 -8.551 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.630 9.925 -7.800 1.00 0.00 C ATOM 1546 C ASP A 96 -4.021 11.033 -6.939 1.00 0.00 C ATOM 1547 O ASP A 96 -4.708 11.880 -6.382 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.394 8.947 -6.931 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.857 8.887 -7.372 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.505 9.931 -7.401 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.331 7.795 -7.682 1.00 0.00 O ATOM 0 H ASP A 96 -3.570 9.395 -9.552 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.309 10.398 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.944 7.957 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.333 9.252 -5.886 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.698 10.958 -6.881 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.963 11.938 -6.101 1.00 0.00 C ATOM 1558 C GLY A 97 -0.542 11.459 -5.765 1.00 0.00 C ATOM 1559 O GLY A 97 0.345 12.249 -5.464 1.00 0.00 O ATOM 0 H GLY A 97 -2.129 10.253 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.908 12.875 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.503 12.145 -5.177 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.390 10.120 -5.830 1.00 0.00 N ATOM 1564 CA LEU A 98 0.907 9.556 -5.529 1.00 0.00 C ATOM 1565 C LEU A 98 1.955 10.247 -6.387 1.00 0.00 C ATOM 1566 O LEU A 98 1.697 11.245 -7.050 1.00 0.00 O ATOM 1567 CB LEU A 98 0.900 8.072 -5.876 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.286 7.352 -5.259 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.447 5.969 -5.871 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -0.105 7.261 -3.749 1.00 0.00 C ATOM 0 H LEU A 98 -1.120 9.452 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 98 1.132 9.693 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.874 7.953 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.825 7.613 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.194 7.918 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.302 5.467 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.610 6.063 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.455 5.384 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.958 6.744 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.808 6.710 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.035 8.265 -3.330 1.00 0.00 H new ATOM 1582 N LEU A 99 3.150 9.640 -6.338 1.00 0.00 N ATOM 1583 CA LEU A 99 4.213 10.158 -7.167 1.00 0.00 C ATOM 1584 C LEU A 99 3.895 9.736 -8.604 1.00 0.00 C ATOM 1585 O LEU A 99 3.965 10.513 -9.549 1.00 0.00 O ATOM 1586 CB LEU A 99 5.541 9.574 -6.704 1.00 0.00 C ATOM 1587 CG LEU A 99 6.646 10.629 -6.670 1.00 0.00 C ATOM 1588 CD1 LEU A 99 6.664 11.427 -7.969 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.452 11.568 -5.478 1.00 0.00 C ATOM 0 H LEU A 99 3.385 8.833 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 99 4.289 11.243 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.421 9.142 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.833 8.763 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 99 7.603 10.119 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.457 12.173 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.844 10.754 -8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.704 11.925 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.247 12.313 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.487 12.068 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.483 10.993 -4.553 1.00 0.00 H new ATOM 1601 N ARG A 100 3.535 8.437 -8.677 1.00 0.00 N ATOM 1602 CA ARG A 100 3.151 7.864 -9.944 1.00 0.00 C ATOM 1603 C ARG A 100 2.258 6.652 -9.666 1.00 0.00 C ATOM 1604 O ARG A 100 2.326 6.029 -8.614 1.00 0.00 O ATOM 1605 CB ARG A 100 4.389 7.448 -10.715 1.00 0.00 C ATOM 1606 CG ARG A 100 4.084 7.257 -12.203 1.00 0.00 C ATOM 1607 CD ARG A 100 3.766 5.799 -12.531 1.00 0.00 C ATOM 1608 NE ARG A 100 4.702 5.289 -13.516 1.00 0.00 N ATOM 1609 CZ ARG A 100 4.467 4.084 -14.069 1.00 0.00 C ATOM 1610 NH1 ARG A 100 3.398 3.381 -13.705 1.00 0.00 N ATOM 1611 NH2 ARG A 100 5.305 3.596 -14.978 1.00 0.00 N ATOM 0 H ARG A 100 3.508 7.795 -7.885 1.00 0.00 H new ATOM 0 HA ARG A 100 2.607 8.593 -10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.165 8.204 -10.595 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.782 6.520 -10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.240 7.886 -12.485 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.938 7.585 -12.795 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.817 5.196 -11.625 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.748 5.718 -12.911 1.00 0.00 H new ATOM 0 HE ARG A 100 5.522 5.833 -13.784 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.756 3.755 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.221 2.468 -14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.126 4.134 -15.256 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.128 2.683 -15.397 1.00 0.00 H new ATOM 1625 N VAL A 101 1.422 6.371 -10.673 1.00 0.00 N ATOM 1626 CA VAL A 101 0.513 5.258 -10.551 1.00 0.00 C ATOM 1627 C VAL A 101 1.230 4.035 -9.970 1.00 0.00 C ATOM 1628 O VAL A 101 2.438 4.017 -9.770 1.00 0.00 O ATOM 1629 CB VAL A 101 0.016 4.905 -11.937 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -1.283 4.149 -11.835 1.00 0.00 C ATOM 1631 CG2 VAL A 101 -0.165 6.156 -12.804 1.00 0.00 C ATOM 0 H VAL A 101 1.366 6.889 -11.550 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.308 5.535 -9.889 1.00 0.00 H new ATOM 0 HB VAL A 101 0.766 4.276 -12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.637 3.897 -12.835 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.127 3.234 -11.264 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.026 4.768 -11.333 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.523 5.865 -13.792 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.891 6.821 -12.336 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.790 6.673 -12.901 1.00 0.00 H new ATOM 1641 N LEU A 102 0.381 3.020 -9.726 1.00 0.00 N ATOM 1642 CA LEU A 102 0.886 1.749 -9.234 1.00 0.00 C ATOM 1643 C LEU A 102 0.854 0.775 -10.390 1.00 0.00 C ATOM 1644 O LEU A 102 0.164 0.966 -11.383 1.00 0.00 O ATOM 1645 CB LEU A 102 -0.001 1.219 -8.125 1.00 0.00 C ATOM 1646 CG LEU A 102 0.231 1.911 -6.780 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.367 3.424 -6.930 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.917 1.584 -5.833 1.00 0.00 C ATOM 0 H LEU A 102 -0.629 3.062 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 102 1.895 1.875 -8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.045 1.343 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.173 0.149 -8.010 1.00 0.00 H new ATOM 0 HG LEU A 102 1.170 1.538 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.530 3.874 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.213 3.651 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.545 3.830 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.751 2.077 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.855 1.934 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.968 0.506 -5.682 1.00 0.00 H new ATOM 1660 N THR A 103 1.644 -0.273 -10.195 1.00 0.00 N ATOM 1661 CA THR A 103 1.713 -1.262 -11.238 1.00 0.00 C ATOM 1662 C THR A 103 2.028 -2.647 -10.669 1.00 0.00 C ATOM 1663 O THR A 103 1.530 -3.662 -11.140 1.00 0.00 O ATOM 1664 CB THR A 103 2.798 -0.803 -12.210 1.00 0.00 C ATOM 1665 OG1 THR A 103 2.220 -0.496 -13.453 1.00 0.00 O ATOM 1666 CG2 THR A 103 3.898 -1.836 -12.397 1.00 0.00 C ATOM 0 H THR A 103 2.214 -0.448 -9.368 1.00 0.00 H new ATOM 0 HA THR A 103 0.753 -1.353 -11.747 1.00 0.00 H new ATOM 0 HB THR A 103 3.262 0.083 -11.778 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.918 -0.200 -14.074 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.640 -1.454 -13.098 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.375 -2.038 -11.438 1.00 0.00 H new ATOM 0 HG23 THR A 103 3.469 -2.758 -12.789 1.00 0.00 H new ATOM 1674 N VAL A 104 2.882 -2.622 -9.631 1.00 0.00 N ATOM 1675 CA VAL A 104 3.297 -3.916 -9.067 1.00 0.00 C ATOM 1676 C VAL A 104 3.467 -3.888 -7.544 1.00 0.00 C ATOM 1677 O VAL A 104 3.861 -2.891 -6.959 1.00 0.00 O ATOM 1678 CB VAL A 104 4.658 -4.261 -9.673 1.00 0.00 C ATOM 1679 CG1 VAL A 104 5.233 -5.545 -9.077 1.00 0.00 C ATOM 1680 CG2 VAL A 104 4.578 -4.411 -11.193 1.00 0.00 C ATOM 0 H VAL A 104 3.273 -1.788 -9.193 1.00 0.00 H new ATOM 0 HA VAL A 104 2.519 -4.643 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 104 5.319 -3.429 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.200 -5.756 -9.533 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.358 -5.423 -8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.552 -6.373 -9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.564 -4.656 -11.587 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.879 -5.209 -11.444 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.234 -3.475 -11.633 1.00 0.00 H new ATOM 1690 N PRO A 105 3.146 -5.068 -6.931 1.00 0.00 N ATOM 1691 CA PRO A 105 3.343 -5.290 -5.505 1.00 0.00 C ATOM 1692 C PRO A 105 4.845 -5.334 -5.202 1.00 0.00 C ATOM 1693 O PRO A 105 5.628 -5.897 -5.955 1.00 0.00 O ATOM 1694 CB PRO A 105 2.708 -6.644 -5.197 1.00 0.00 C ATOM 1695 CG PRO A 105 2.171 -7.204 -6.525 1.00 0.00 C ATOM 1696 CD PRO A 105 2.485 -6.170 -7.610 1.00 0.00 C ATOM 0 HA PRO A 105 2.898 -4.498 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.441 -7.323 -4.761 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.902 -6.535 -4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.640 -8.160 -6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.098 -7.382 -6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.128 -6.596 -8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.574 -5.834 -8.105 1.00 0.00 H new ATOM 1704 N CYS A 106 5.201 -4.722 -4.066 1.00 0.00 N ATOM 1705 CA CYS A 106 6.616 -4.643 -3.763 1.00 0.00 C ATOM 1706 C CYS A 106 7.136 -5.797 -2.912 1.00 0.00 C ATOM 1707 O CYS A 106 8.268 -6.230 -3.074 1.00 0.00 O ATOM 1708 CB CYS A 106 6.880 -3.335 -3.058 1.00 0.00 C ATOM 1709 SG CYS A 106 8.352 -2.508 -3.690 1.00 0.00 S ATOM 0 H CYS A 106 4.568 -4.302 -3.386 1.00 0.00 H new ATOM 0 HA CYS A 106 7.151 -4.708 -4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.017 -2.679 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 106 6.998 -3.517 -1.990 1.00 0.00 H new ATOM 0 HG CYS A 106 9.107 -3.372 -4.301 1.00 0.00 H new ATOM 1715 N GLN A 107 6.271 -6.245 -1.988 1.00 0.00 N ATOM 1716 CA GLN A 107 6.689 -7.292 -1.101 1.00 0.00 C ATOM 1717 C GLN A 107 7.568 -8.315 -1.792 1.00 0.00 C ATOM 1718 O GLN A 107 7.675 -8.398 -3.010 1.00 0.00 O ATOM 1719 CB GLN A 107 5.476 -7.944 -0.502 1.00 0.00 C ATOM 1720 CG GLN A 107 5.720 -8.239 0.960 1.00 0.00 C ATOM 1721 CD GLN A 107 6.156 -9.691 1.141 1.00 0.00 C ATOM 1722 OE1 GLN A 107 6.138 -10.492 0.215 1.00 0.00 O ATOM 1723 NE2 GLN A 107 6.549 -9.968 2.397 1.00 0.00 N ATOM 0 H GLN A 107 5.320 -5.903 -1.853 1.00 0.00 H new ATOM 0 HA GLN A 107 7.296 -6.849 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.610 -7.291 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.248 -8.867 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.487 -7.570 1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.812 -8.051 1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.532 -9.238 3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.864 -10.908 2.637 1.00 0.00 H new ATOM 1732 N LYS A 108 8.155 -9.109 -0.898 1.00 0.00 N ATOM 1733 CA LYS A 108 9.076 -10.115 -1.338 1.00 0.00 C ATOM 1734 C LYS A 108 8.340 -11.426 -1.606 1.00 0.00 C ATOM 1735 O LYS A 108 7.236 -11.463 -2.135 1.00 0.00 O ATOM 1736 CB LYS A 108 10.102 -10.272 -0.226 1.00 0.00 C ATOM 1737 CG LYS A 108 9.399 -10.488 1.107 1.00 0.00 C ATOM 1738 CD LYS A 108 9.723 -9.383 2.107 1.00 0.00 C ATOM 1739 CE LYS A 108 9.654 -9.890 3.547 1.00 0.00 C ATOM 1740 NZ LYS A 108 10.186 -8.924 4.499 1.00 0.00 N ATOM 0 H LYS A 108 8.004 -9.066 0.110 1.00 0.00 H new ATOM 0 HA LYS A 108 9.563 -9.834 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.757 -11.116 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.732 -9.384 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 108 8.322 -10.528 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.696 -11.451 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.720 -8.990 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.023 -8.557 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.618 -10.115 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.212 -10.823 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.118 -9.312 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.182 -8.728 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.638 -8.042 4.442 1.00 0.00 H new ATOM 1754 N ILE A 109 9.042 -12.486 -1.197 1.00 0.00 N ATOM 1755 CA ILE A 109 8.494 -13.815 -1.378 1.00 0.00 C ATOM 1756 C ILE A 109 8.005 -14.340 -0.024 1.00 0.00 C ATOM 1757 O ILE A 109 7.082 -13.813 0.583 1.00 0.00 O ATOM 1758 CB ILE A 109 9.569 -14.739 -1.955 1.00 0.00 C ATOM 1759 CG1 ILE A 109 10.118 -14.211 -3.266 1.00 0.00 C ATOM 1760 CG2 ILE A 109 9.011 -16.145 -2.174 1.00 0.00 C ATOM 1761 CD1 ILE A 109 10.948 -12.938 -3.081 1.00 0.00 C ATOM 0 H ILE A 109 9.960 -12.446 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 109 7.655 -13.783 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 109 10.381 -14.776 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 109 10.734 -14.979 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 109 9.292 -14.007 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.791 -16.786 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 109 8.669 -16.553 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.174 -16.100 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.318 -12.601 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.326 -12.159 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 109 11.792 -13.146 -2.423 1.00 0.00 H new ATOM 1773 N GLY A 110 8.696 -15.415 0.395 1.00 0.00 N ATOM 1774 CA GLY A 110 8.347 -16.020 1.667 1.00 0.00 C ATOM 1775 C GLY A 110 9.598 -16.499 2.405 1.00 0.00 C ATOM 1776 O GLY A 110 10.583 -15.783 2.541 1.00 0.00 O ATOM 0 H GLY A 110 9.463 -15.858 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 110 7.811 -15.298 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.673 -16.861 1.502 1.00 0.00 H new ATOM 1780 N THR A 111 9.485 -17.756 2.869 1.00 0.00 N ATOM 1781 CA THR A 111 10.607 -18.332 3.586 1.00 0.00 C ATOM 1782 C THR A 111 11.528 -19.042 2.601 1.00 0.00 C ATOM 1783 O THR A 111 12.665 -18.648 2.373 1.00 0.00 O ATOM 1784 CB THR A 111 10.094 -19.310 4.643 1.00 0.00 C ATOM 1785 OG1 THR A 111 11.184 -19.974 5.233 1.00 0.00 O ATOM 1786 CG2 THR A 111 9.129 -20.339 4.054 1.00 0.00 C ATOM 0 H THR A 111 8.668 -18.357 2.763 1.00 0.00 H new ATOM 0 HA THR A 111 11.169 -17.543 4.086 1.00 0.00 H new ATOM 0 HB THR A 111 9.548 -18.735 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.857 -20.600 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.790 -21.013 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.270 -19.826 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.637 -20.913 3.279 1.00 0.00 H new ATOM 1794 N GLN A 112 10.953 -20.115 2.041 1.00 0.00 N ATOM 1795 CA GLN A 112 11.707 -20.892 1.096 1.00 0.00 C ATOM 1796 C GLN A 112 10.855 -21.159 -0.146 1.00 0.00 C ATOM 1797 O GLN A 112 11.426 -21.436 -1.201 1.00 0.00 O ATOM 1798 CB GLN A 112 12.117 -22.201 1.757 1.00 0.00 C ATOM 1799 CG GLN A 112 13.471 -22.071 2.450 1.00 0.00 C ATOM 1800 CD GLN A 112 14.014 -23.457 2.800 1.00 0.00 C ATOM 1801 OE1 GLN A 112 15.145 -23.807 2.487 1.00 0.00 O ATOM 1802 NE2 GLN A 112 13.127 -24.216 3.469 1.00 0.00 N ATOM 1803 OXT GLN A 112 9.632 -21.085 -0.046 1.00 0.00 O ATOM 0 H GLN A 112 10.005 -20.442 2.227 1.00 0.00 H new ATOM 0 HA GLN A 112 12.601 -20.349 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 112 11.361 -22.496 2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 112 12.164 -22.991 1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.173 -21.550 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.370 -21.472 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.203 -23.845 3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.379 -25.162 3.755 1.00 0.00 H new TER 1812 GLN A 112 HETATM 1813 C ACE B 0 6.821 11.529 8.295 1.00 0.00 C HETATM 1814 O ACE B 0 6.886 12.460 7.501 1.00 0.00 O HETATM 1815 CH3 ACE B 0 6.123 11.662 9.644 1.00 0.00 C HETATM 0 H1 ACE B 0 5.306 10.943 9.704 1.00 0.00 H new HETATM 0 H2 ACE B 0 6.837 11.467 10.444 1.00 0.00 H new HETATM 0 H3 ACE B 0 5.726 12.671 9.750 1.00 0.00 H new ATOM 1819 N THR B 1 7.324 10.303 8.093 1.00 0.00 N ATOM 1820 CA THR B 1 7.811 9.966 6.773 1.00 0.00 C ATOM 1821 C THR B 1 6.624 9.675 5.860 1.00 0.00 C ATOM 1822 O THR B 1 6.212 8.537 5.677 1.00 0.00 O ATOM 1823 CB THR B 1 8.715 8.743 6.873 1.00 0.00 C ATOM 1824 OG1 THR B 1 10.057 9.153 6.990 1.00 0.00 O ATOM 1825 CG2 THR B 1 8.565 7.821 5.663 1.00 0.00 C ATOM 0 H THR B 1 7.398 9.568 8.797 1.00 0.00 H new ATOM 0 HA THR B 1 8.381 10.797 6.358 1.00 0.00 H new ATOM 0 HB THR B 1 8.416 8.182 7.758 1.00 0.00 H new ATOM 0 HG1 THR B 1 10.635 8.365 7.056 1.00 0.00 H new ATOM 0 HG21 THR B 1 9.227 6.962 5.776 1.00 0.00 H new ATOM 0 HG22 THR B 1 7.533 7.477 5.593 1.00 0.00 H new ATOM 0 HG23 THR B 1 8.828 8.365 4.756 1.00 0.00 H new HETATM 1833 N PTR B 2 6.074 10.769 5.326 1.00 0.00 N HETATM 1834 CA PTR B 2 4.941 10.568 4.449 1.00 0.00 C HETATM 1835 C PTR B 2 4.907 11.565 3.309 1.00 0.00 C HETATM 1836 O PTR B 2 4.734 12.766 3.481 1.00 0.00 O HETATM 1837 CB PTR B 2 3.655 10.608 5.261 1.00 0.00 C HETATM 1838 CG PTR B 2 3.708 9.502 6.250 1.00 0.00 C HETATM 1839 CD1 PTR B 2 3.306 8.195 5.880 1.00 0.00 C HETATM 1840 CD2 PTR B 2 4.310 9.718 7.513 1.00 0.00 C HETATM 1841 CE1 PTR B 2 3.514 7.119 6.744 1.00 0.00 C HETATM 1842 CE2 PTR B 2 4.523 8.644 8.387 1.00 0.00 C HETATM 1843 CZ PTR B 2 4.122 7.347 7.998 1.00 0.00 C HETATM 1844 OH PTR B 2 4.340 6.270 8.865 1.00 0.00 O HETATM 1845 P PTR B 2 5.812 5.925 9.243 1.00 0.00 P HETATM 1846 O1P PTR B 2 6.257 7.075 10.181 1.00 0.00 O HETATM 1847 O2P PTR B 2 5.710 4.612 10.061 1.00 0.00 O HETATM 1848 O3P PTR B 2 6.696 5.788 8.040 1.00 0.00 O HETATM 0 HE2 PTR B 2 4.993 8.808 9.357 1.00 0.00 H new HETATM 0 HE1 PTR B 2 3.210 6.113 6.454 1.00 0.00 H new HETATM 0 HD2 PTR B 2 4.609 10.724 7.807 1.00 0.00 H new HETATM 0 HD1 PTR B 2 2.831 8.029 4.913 1.00 0.00 H new HETATM 0 HB3 PTR B 2 3.552 11.568 5.767 1.00 0.00 H new HETATM 0 HB2 PTR B 2 2.788 10.497 4.609 1.00 0.00 H new HETATM 0 HA PTR B 2 5.042 9.586 3.987 1.00 0.00 H new HETATM 0 H PTR B 2 6.738 11.520 5.137 1.00 0.00 H new ATOM 1857 N GLU B 3 5.082 10.955 2.128 1.00 0.00 N ATOM 1858 CA GLU B 3 5.045 11.746 0.921 1.00 0.00 C ATOM 1859 C GLU B 3 3.718 12.481 0.852 1.00 0.00 C ATOM 1860 O GLU B 3 2.848 12.316 1.698 1.00 0.00 O ATOM 1861 CB GLU B 3 5.220 10.839 -0.268 1.00 0.00 C ATOM 1862 CG GLU B 3 6.670 10.419 -0.414 1.00 0.00 C ATOM 1863 CD GLU B 3 7.601 11.630 -0.320 1.00 0.00 C ATOM 1864 OE1 GLU B 3 7.845 12.263 -1.346 1.00 0.00 O ATOM 1865 OE2 GLU B 3 8.070 11.925 0.778 1.00 0.00 O ATOM 0 H GLU B 3 5.243 9.956 1.998 1.00 0.00 H new ATOM 0 HA GLU B 3 5.851 12.480 0.920 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.590 9.957 -0.154 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.892 11.350 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.924 9.699 0.363 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.813 9.918 -1.372 1.00 0.00 H new ATOM 1872 N THR B 4 3.613 13.303 -0.204 1.00 0.00 N ATOM 1873 CA THR B 4 2.378 14.042 -0.345 1.00 0.00 C ATOM 1874 C THR B 4 1.611 13.546 -1.556 1.00 0.00 C ATOM 1875 O THR B 4 1.956 13.773 -2.709 1.00 0.00 O ATOM 1876 CB THR B 4 2.664 15.535 -0.433 1.00 0.00 C ATOM 1877 OG1 THR B 4 1.706 16.243 0.319 1.00 0.00 O ATOM 1878 CG2 THR B 4 2.645 16.036 -1.874 1.00 0.00 C ATOM 0 H THR B 4 4.322 13.459 -0.921 1.00 0.00 H new ATOM 0 HA THR B 4 1.756 13.877 0.535 1.00 0.00 H new ATOM 0 HB THR B 4 3.663 15.705 -0.032 1.00 0.00 H new ATOM 0 HG1 THR B 4 1.597 15.817 1.195 1.00 0.00 H new ATOM 0 HG21 THR B 4 2.854 17.106 -1.890 1.00 0.00 H new ATOM 0 HG22 THR B 4 3.404 15.509 -2.452 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.663 15.851 -2.311 1.00 0.00 H new ATOM 1886 N LEU B 5 0.545 12.848 -1.175 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.319 12.259 -2.146 1.00 0.00 C ATOM 1888 C LEU B 5 -1.188 13.339 -2.790 1.00 0.00 C ATOM 1889 O LEU B 5 -2.335 13.553 -2.418 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.164 11.226 -1.433 1.00 0.00 C ATOM 1891 CG LEU B 5 -0.969 9.887 -2.099 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.332 8.744 -1.175 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.808 9.831 -3.349 1.00 0.00 C ATOM 0 H LEU B 5 0.275 12.687 -0.205 1.00 0.00 H new ATOM 0 HA LEU B 5 0.251 11.782 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.881 11.168 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.215 11.513 -1.465 1.00 0.00 H new ATOM 0 HG LEU B 5 0.086 9.778 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.178 7.796 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.702 8.780 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.378 8.832 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.672 8.865 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.858 9.961 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.502 10.626 -4.029 1.00 0.00 H new HETATM 1905 N NH2 B 6 -0.562 13.996 -3.782 1.00 0.00 N TER 1908 NH2 B 6