USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 964 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS :FLIP no HD1:sc= -1.38 X(o=-4.4,f=-3.9) USER MOD Set 1.2: B 50 THR OG1 : rot 180:sc= -0.0241 USER MOD Set 1.3: B 53 HIS :FLIP no HD1:sc= -2.51 X(o=-3.9!,f=-3.9) USER MOD Single : A 50 THR OG1 : rot 36:sc= 0.657 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -174:sc= -0.854 (180deg=-0.951) USER MOD Single : A 85 SER OG : rot -76:sc= 0.686 USER MOD Single : A 94 THR OG1 : rot -37:sc= 0.0968 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0281 F(o=-0.96,f=-0.028) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.326 K(o=-0.33,f=-0.92) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl -174:sc= -0.844 (180deg=-0.941) USER MOD Single : B 85 SER OG : rot -75:sc= 0.676 USER MOD Single : B 94 THR OG1 : rot -34:sc= 0.111 USER MOD Single : B 99 GLN :FLIP amide:sc= -0.0322 F(o=-0.87,f=-0.032) USER MOD Single : B 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 103 ASN : amide:sc= -0.294 K(o=-0.29,f=-0.95) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 50 1.644 -38.979 -2.304 1.00 0.00 N ATOM 2 CA THR A 50 2.507 -37.836 -1.907 1.00 0.00 C ATOM 3 C THR A 50 3.923 -37.999 -2.450 1.00 0.00 C ATOM 4 O THR A 50 4.679 -38.854 -1.988 1.00 0.00 O ATOM 5 CB THR A 50 2.536 -37.752 -0.380 1.00 0.00 C ATOM 6 OG1 THR A 50 3.015 -38.963 0.179 1.00 0.00 O ATOM 7 CG2 THR A 50 1.182 -37.471 0.231 1.00 0.00 C ATOM 0 HA THR A 50 2.097 -36.917 -2.327 1.00 0.00 H new ATOM 0 HB THR A 50 3.200 -36.919 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.715 -39.335 -0.397 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.275 -37.424 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.805 -36.519 -0.142 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.488 -38.267 -0.040 1.00 0.00 H new ATOM 17 N ARG A 51 4.275 -37.174 -3.431 1.00 0.00 N ATOM 18 CA ARG A 51 5.602 -37.230 -4.034 1.00 0.00 C ATOM 19 C ARG A 51 5.862 -36.001 -4.900 1.00 0.00 C ATOM 20 O ARG A 51 6.899 -35.349 -4.771 1.00 0.00 O ATOM 21 CB ARG A 51 5.752 -38.501 -4.873 1.00 0.00 C ATOM 22 CG ARG A 51 6.234 -39.702 -4.074 1.00 0.00 C ATOM 23 CD ARG A 51 7.393 -40.404 -4.761 1.00 0.00 C ATOM 24 NE ARG A 51 6.956 -41.585 -5.503 1.00 0.00 N ATOM 25 CZ ARG A 51 7.775 -42.561 -5.893 1.00 0.00 C ATOM 26 NH1 ARG A 51 9.071 -42.500 -5.612 1.00 0.00 N ATOM 27 NH2 ARG A 51 7.295 -43.598 -6.565 1.00 0.00 N ATOM 0 H ARG A 51 3.662 -36.460 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 51 6.337 -37.245 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.792 -38.740 -5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.453 -38.310 -5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.542 -39.378 -3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.411 -40.404 -3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.885 -39.710 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.132 -40.697 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 51 5.966 -41.667 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.444 -41.703 -5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.694 -43.250 -5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.300 -43.648 -6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.921 -44.346 -6.864 1.00 0.00 H new ATOM 41 N ALA A 52 4.919 -35.690 -5.783 1.00 0.00 N ATOM 42 CA ALA A 52 5.053 -34.539 -6.669 1.00 0.00 C ATOM 43 C ALA A 52 3.720 -34.179 -7.316 1.00 0.00 C ATOM 44 O ALA A 52 3.468 -34.520 -8.471 1.00 0.00 O ATOM 45 CB ALA A 52 6.101 -34.818 -7.736 1.00 0.00 C ATOM 0 H ALA A 52 4.055 -36.218 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 52 5.374 -33.687 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.192 -33.952 -8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.061 -35.016 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.801 -35.687 -8.322 1.00 0.00 H new ATOM 51 N HIS A 53 2.869 -33.488 -6.563 1.00 0.00 N ATOM 52 CA HIS A 53 1.562 -33.081 -7.065 1.00 0.00 C ATOM 53 C HIS A 53 1.027 -31.882 -6.287 1.00 0.00 C ATOM 54 O HIS A 53 -0.185 -31.694 -6.176 1.00 0.00 O ATOM 55 CB HIS A 53 0.575 -34.245 -6.973 1.00 0.00 C ATOM 56 CG HIS A 53 0.446 -34.812 -5.593 1.00 0.00 C ATOM 57 ND1 HIS A 53 0.244 -34.203 -4.401 1.00 0.00 N flip ATOM 58 CD2 HIS A 53 0.526 -36.161 -5.324 1.00 0.00 C flip ATOM 59 CE1 HIS A 53 0.206 -35.187 -3.444 1.00 0.00 C flip ATOM 60 NE2 HIS A 53 0.378 -36.360 -4.026 1.00 0.00 N flip ATOM 0 H HIS A 53 3.061 -33.199 -5.604 1.00 0.00 H new ATOM 0 HA HIS A 53 1.676 -32.790 -8.109 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.405 -33.908 -7.312 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.893 -35.035 -7.653 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.685 -36.935 -6.060 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.059 -35.027 -2.386 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.394 -37.264 -3.555 1.00 0.00 H new ATOM 69 N LEU A 54 1.938 -31.077 -5.747 1.00 0.00 N ATOM 70 CA LEU A 54 1.553 -29.898 -4.977 1.00 0.00 C ATOM 71 C LEU A 54 1.684 -28.614 -5.807 1.00 0.00 C ATOM 72 O LEU A 54 1.378 -27.520 -5.325 1.00 0.00 O ATOM 73 CB LEU A 54 2.375 -29.814 -3.681 1.00 0.00 C ATOM 74 CG LEU A 54 3.772 -29.201 -3.799 1.00 0.00 C ATOM 75 CD1 LEU A 54 4.505 -29.745 -5.014 1.00 0.00 C ATOM 76 CD2 LEU A 54 3.677 -27.687 -3.858 1.00 0.00 C ATOM 0 H LEU A 54 2.945 -31.219 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 54 0.501 -29.998 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.808 -29.233 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.477 -30.821 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 54 4.345 -29.478 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.495 -29.293 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.605 -30.827 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.942 -29.506 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.677 -27.263 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.084 -27.393 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.201 -27.317 -2.950 1.00 0.00 H new ATOM 88 N THR A 55 2.123 -28.760 -7.058 1.00 0.00 N ATOM 89 CA THR A 55 2.281 -27.620 -7.959 1.00 0.00 C ATOM 90 C THR A 55 0.968 -26.853 -8.098 1.00 0.00 C ATOM 91 O THR A 55 0.912 -25.636 -7.888 1.00 0.00 O ATOM 92 CB THR A 55 2.745 -28.099 -9.334 1.00 0.00 C ATOM 93 OG1 THR A 55 3.509 -29.286 -9.221 1.00 0.00 O ATOM 94 CG2 THR A 55 3.588 -27.080 -10.071 1.00 0.00 C ATOM 0 H THR A 55 2.376 -29.658 -7.470 1.00 0.00 H new ATOM 0 HA THR A 55 3.032 -26.952 -7.536 1.00 0.00 H new ATOM 0 HB THR A 55 1.831 -28.270 -9.902 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.795 -29.577 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.884 -27.484 -11.039 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.009 -26.168 -10.220 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.479 -26.853 -9.485 1.00 0.00 H new ATOM 102 N GLU A 56 -0.089 -27.577 -8.450 1.00 0.00 N ATOM 103 CA GLU A 56 -1.405 -26.975 -8.614 1.00 0.00 C ATOM 104 C GLU A 56 -1.785 -26.169 -7.378 1.00 0.00 C ATOM 105 O GLU A 56 -2.319 -25.068 -7.486 1.00 0.00 O ATOM 106 CB GLU A 56 -2.456 -28.054 -8.879 1.00 0.00 C ATOM 107 CG GLU A 56 -2.030 -29.074 -9.923 1.00 0.00 C ATOM 108 CD GLU A 56 -3.124 -29.371 -10.930 1.00 0.00 C ATOM 109 OE1 GLU A 56 -3.340 -28.537 -11.834 1.00 0.00 O ATOM 110 OE2 GLU A 56 -3.765 -30.436 -10.815 1.00 0.00 O ATOM 0 H GLU A 56 -0.059 -28.581 -8.627 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.367 -26.302 -9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.676 -28.572 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.380 -27.577 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.149 -28.705 -10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.740 -29.999 -9.424 1.00 0.00 H new ATOM 117 N VAL A 57 -1.498 -26.720 -6.205 1.00 0.00 N ATOM 118 CA VAL A 57 -1.810 -26.037 -4.955 1.00 0.00 C ATOM 119 C VAL A 57 -1.036 -24.726 -4.851 1.00 0.00 C ATOM 120 O VAL A 57 -1.585 -23.692 -4.440 1.00 0.00 O ATOM 121 CB VAL A 57 -1.508 -26.910 -3.724 1.00 0.00 C ATOM 122 CG1 VAL A 57 -2.252 -26.377 -2.509 1.00 0.00 C ATOM 123 CG2 VAL A 57 -1.879 -28.364 -3.986 1.00 0.00 C ATOM 0 H VAL A 57 -1.053 -27.631 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.880 -25.831 -4.968 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.437 -26.867 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.031 -27.002 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.934 -25.354 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.324 -26.392 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.656 -28.961 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.943 -28.433 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.303 -28.740 -4.832 1.00 0.00 H new ATOM 133 N GLU A 58 0.237 -24.755 -5.260 1.00 0.00 N ATOM 134 CA GLU A 58 1.056 -23.544 -5.236 1.00 0.00 C ATOM 135 C GLU A 58 0.365 -22.479 -6.052 1.00 0.00 C ATOM 136 O GLU A 58 -0.070 -21.458 -5.529 1.00 0.00 O ATOM 137 CB GLU A 58 2.464 -23.773 -5.801 1.00 0.00 C ATOM 138 CG GLU A 58 2.954 -25.199 -5.696 1.00 0.00 C ATOM 139 CD GLU A 58 4.394 -25.352 -6.146 1.00 0.00 C ATOM 140 OE1 GLU A 58 4.633 -25.384 -7.370 1.00 0.00 O ATOM 141 OE2 GLU A 58 5.282 -25.442 -5.271 1.00 0.00 O ATOM 0 H GLU A 58 0.713 -25.588 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 58 1.169 -23.238 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.475 -23.474 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.163 -23.122 -5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.861 -25.537 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.317 -25.844 -6.301 1.00 0.00 H new ATOM 148 N SER A 59 0.237 -22.744 -7.339 1.00 0.00 N ATOM 149 CA SER A 59 -0.441 -21.812 -8.230 1.00 0.00 C ATOM 150 C SER A 59 -1.827 -21.467 -7.676 1.00 0.00 C ATOM 151 O SER A 59 -2.423 -20.457 -8.047 1.00 0.00 O ATOM 152 CB SER A 59 -0.569 -22.410 -9.633 1.00 0.00 C ATOM 153 OG SER A 59 0.689 -22.464 -10.282 1.00 0.00 O ATOM 0 H SER A 59 0.589 -23.588 -7.791 1.00 0.00 H new ATOM 0 HA SER A 59 0.152 -20.899 -8.294 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.991 -23.413 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.261 -21.811 -10.225 1.00 0.00 H new ATOM 0 HG SER A 59 0.580 -22.851 -11.176 1.00 0.00 H new ATOM 159 N ARG A 60 -2.337 -22.331 -6.796 1.00 0.00 N ATOM 160 CA ARG A 60 -3.646 -22.151 -6.193 1.00 0.00 C ATOM 161 C ARG A 60 -3.684 -20.963 -5.254 1.00 0.00 C ATOM 162 O ARG A 60 -4.283 -19.935 -5.578 1.00 0.00 O ATOM 163 CB ARG A 60 -4.048 -23.413 -5.430 1.00 0.00 C ATOM 164 CG ARG A 60 -5.522 -23.766 -5.561 1.00 0.00 C ATOM 165 CD ARG A 60 -5.715 -25.230 -5.922 1.00 0.00 C ATOM 166 NE ARG A 60 -6.896 -25.439 -6.758 1.00 0.00 N ATOM 167 CZ ARG A 60 -7.087 -26.517 -7.515 1.00 0.00 C ATOM 168 NH1 ARG A 60 -6.180 -27.486 -7.542 1.00 0.00 N ATOM 169 NH2 ARG A 60 -8.188 -26.629 -8.245 1.00 0.00 N ATOM 0 H ARG A 60 -1.850 -23.172 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.351 -21.961 -7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.450 -24.250 -5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.808 -23.281 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.033 -23.551 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.981 -23.138 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.831 -25.593 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.809 -25.819 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.616 -24.716 -6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.332 -27.406 -6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.331 -28.310 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.889 -25.889 -8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.334 -27.455 -8.825 1.00 0.00 H new ATOM 183 N LEU A 61 -3.067 -21.090 -4.081 1.00 0.00 N ATOM 184 CA LEU A 61 -3.098 -19.979 -3.139 1.00 0.00 C ATOM 185 C LEU A 61 -2.417 -18.758 -3.743 1.00 0.00 C ATOM 186 O LEU A 61 -2.731 -17.611 -3.402 1.00 0.00 O ATOM 187 CB LEU A 61 -2.485 -20.371 -1.801 1.00 0.00 C ATOM 188 CG LEU A 61 -3.520 -20.810 -0.761 1.00 0.00 C ATOM 189 CD1 LEU A 61 -4.379 -19.631 -0.334 1.00 0.00 C ATOM 190 CD2 LEU A 61 -4.393 -21.926 -1.318 1.00 0.00 C ATOM 0 H LEU A 61 -2.559 -21.918 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.138 -19.718 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.774 -21.182 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.921 -19.525 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.990 -21.187 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.109 -19.961 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.746 -18.858 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.899 -19.227 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.123 -22.226 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.913 -21.571 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.769 -22.780 -1.579 1.00 0.00 H new ATOM 202 N GLU A 62 -1.526 -19.021 -4.690 1.00 0.00 N ATOM 203 CA GLU A 62 -0.840 -17.961 -5.402 1.00 0.00 C ATOM 204 C GLU A 62 -1.864 -17.185 -6.215 1.00 0.00 C ATOM 205 O GLU A 62 -1.798 -15.961 -6.320 1.00 0.00 O ATOM 206 CB GLU A 62 0.241 -18.540 -6.314 1.00 0.00 C ATOM 207 CG GLU A 62 1.299 -17.528 -6.724 1.00 0.00 C ATOM 208 CD GLU A 62 2.348 -18.122 -7.645 1.00 0.00 C ATOM 209 OE1 GLU A 62 1.969 -18.860 -8.578 1.00 0.00 O ATOM 210 OE2 GLU A 62 3.549 -17.848 -7.433 1.00 0.00 O ATOM 0 H GLU A 62 -1.264 -19.963 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.352 -17.295 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.725 -19.373 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.230 -18.944 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.818 -16.686 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.785 -17.134 -5.831 1.00 0.00 H new ATOM 217 N ARG A 63 -2.839 -17.916 -6.761 1.00 0.00 N ATOM 218 CA ARG A 63 -3.906 -17.302 -7.534 1.00 0.00 C ATOM 219 C ARG A 63 -4.923 -16.669 -6.587 1.00 0.00 C ATOM 220 O ARG A 63 -5.687 -15.786 -6.976 1.00 0.00 O ATOM 221 CB ARG A 63 -4.591 -18.342 -8.424 1.00 0.00 C ATOM 222 CG ARG A 63 -5.617 -17.748 -9.378 1.00 0.00 C ATOM 223 CD ARG A 63 -5.203 -17.933 -10.831 1.00 0.00 C ATOM 224 NE ARG A 63 -6.347 -17.871 -11.737 1.00 0.00 N ATOM 225 CZ ARG A 63 -7.200 -18.876 -11.924 1.00 0.00 C ATOM 226 NH1 ARG A 63 -7.046 -20.019 -11.268 1.00 0.00 N ATOM 227 NH2 ARG A 63 -8.212 -18.736 -12.770 1.00 0.00 N ATOM 0 H ARG A 63 -2.906 -18.930 -6.679 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.480 -16.530 -8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.832 -18.869 -9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.081 -19.082 -7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.585 -18.220 -9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.740 -16.686 -9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.482 -17.162 -11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.701 -18.894 -10.946 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.501 -17.007 -12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.270 -20.132 -10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.703 -20.785 -11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.336 -17.859 -13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.866 -19.505 -12.914 1.00 0.00 H new ATOM 241 N LEU A 64 -4.914 -17.126 -5.333 1.00 0.00 N ATOM 242 CA LEU A 64 -5.821 -16.604 -4.318 1.00 0.00 C ATOM 243 C LEU A 64 -5.373 -15.227 -3.867 1.00 0.00 C ATOM 244 O LEU A 64 -6.184 -14.370 -3.519 1.00 0.00 O ATOM 245 CB LEU A 64 -5.893 -17.562 -3.121 1.00 0.00 C ATOM 246 CG LEU A 64 -6.053 -16.903 -1.746 1.00 0.00 C ATOM 247 CD1 LEU A 64 -6.737 -17.849 -0.772 1.00 0.00 C ATOM 248 CD2 LEU A 64 -4.698 -16.461 -1.202 1.00 0.00 C ATOM 0 H LEU A 64 -4.286 -17.858 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.817 -16.519 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.729 -18.244 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.987 -18.167 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.682 -16.020 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.840 -17.361 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.724 -18.112 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.138 -18.753 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.832 -15.996 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.045 -17.328 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.247 -15.743 -1.887 1.00 0.00 H new ATOM 260 N GLU A 65 -4.070 -15.029 -3.887 1.00 0.00 N ATOM 261 CA GLU A 65 -3.486 -13.756 -3.490 1.00 0.00 C ATOM 262 C GLU A 65 -3.297 -12.849 -4.704 1.00 0.00 C ATOM 263 O GLU A 65 -3.247 -11.626 -4.572 1.00 0.00 O ATOM 264 CB GLU A 65 -2.151 -13.979 -2.783 1.00 0.00 C ATOM 265 CG GLU A 65 -2.259 -13.968 -1.266 1.00 0.00 C ATOM 266 CD GLU A 65 -2.143 -12.573 -0.685 1.00 0.00 C ATOM 267 OE1 GLU A 65 -1.660 -11.669 -1.398 1.00 0.00 O ATOM 268 OE2 GLU A 65 -2.535 -12.384 0.487 1.00 0.00 O ATOM 0 H GLU A 65 -3.391 -15.734 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.170 -13.267 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.735 -14.934 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.450 -13.205 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.214 -14.403 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.477 -14.599 -0.845 1.00 0.00 H new ATOM 275 N GLN A 66 -3.202 -13.455 -5.885 1.00 0.00 N ATOM 276 CA GLN A 66 -3.031 -12.695 -7.118 1.00 0.00 C ATOM 277 C GLN A 66 -4.191 -11.724 -7.308 1.00 0.00 C ATOM 278 O GLN A 66 -4.003 -10.589 -7.747 1.00 0.00 O ATOM 279 CB GLN A 66 -2.941 -13.641 -8.318 1.00 0.00 C ATOM 280 CG GLN A 66 -1.516 -13.987 -8.720 1.00 0.00 C ATOM 281 CD GLN A 66 -1.391 -14.316 -10.195 1.00 0.00 C ATOM 282 OE1 GLN A 66 -2.133 -15.145 -10.723 1.00 0.00 O ATOM 283 NE2 GLN A 66 -0.449 -13.666 -10.869 1.00 0.00 N ATOM 0 H GLN A 66 -3.240 -14.466 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.104 -12.127 -7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.477 -14.561 -8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.448 -13.184 -9.168 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.861 -13.149 -8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.172 -14.837 -8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.144 -12.987 -10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.318 -13.846 -11.864 1.00 0.00 H new ATOM 292 N LEU A 67 -5.392 -12.182 -6.963 1.00 0.00 N ATOM 293 CA LEU A 67 -6.590 -11.359 -7.083 1.00 0.00 C ATOM 294 C LEU A 67 -6.662 -10.330 -5.955 1.00 0.00 C ATOM 295 O LEU A 67 -7.480 -9.411 -5.997 1.00 0.00 O ATOM 296 CB LEU A 67 -7.840 -12.240 -7.067 1.00 0.00 C ATOM 297 CG LEU A 67 -9.164 -11.491 -7.231 1.00 0.00 C ATOM 298 CD1 LEU A 67 -10.159 -12.332 -8.016 1.00 0.00 C ATOM 299 CD2 LEU A 67 -9.737 -11.117 -5.872 1.00 0.00 C ATOM 0 H LEU A 67 -5.560 -13.119 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.541 -10.825 -8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.756 -12.977 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.866 -12.790 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.974 -10.574 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -11.095 -11.783 -8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.752 -12.550 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.345 -13.266 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.679 -10.585 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.912 -12.022 -5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.031 -10.476 -5.343 1.00 0.00 H new ATOM 311 N PHE A 68 -5.801 -10.489 -4.948 1.00 0.00 N ATOM 312 CA PHE A 68 -5.761 -9.576 -3.807 1.00 0.00 C ATOM 313 C PHE A 68 -6.915 -9.846 -2.846 1.00 0.00 C ATOM 314 O PHE A 68 -8.071 -9.946 -3.258 1.00 0.00 O ATOM 315 CB PHE A 68 -5.803 -8.117 -4.272 1.00 0.00 C ATOM 316 CG PHE A 68 -5.436 -7.134 -3.196 1.00 0.00 C ATOM 317 CD1 PHE A 68 -4.153 -7.108 -2.673 1.00 0.00 C ATOM 318 CD2 PHE A 68 -6.374 -6.238 -2.708 1.00 0.00 C ATOM 319 CE1 PHE A 68 -3.813 -6.204 -1.683 1.00 0.00 C ATOM 320 CE2 PHE A 68 -6.040 -5.334 -1.718 1.00 0.00 C ATOM 321 CZ PHE A 68 -4.758 -5.317 -1.205 1.00 0.00 C ATOM 0 H PHE A 68 -5.119 -11.246 -4.901 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.822 -9.751 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.122 -7.993 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.805 -7.888 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.411 -7.801 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.378 -6.247 -3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.809 -6.192 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.781 -4.642 -1.346 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.495 -4.611 -0.431 1.00 0.00 H new ATOM 331 N LEU A 69 -6.588 -9.959 -1.563 1.00 0.00 N ATOM 332 CA LEU A 69 -7.590 -10.215 -0.535 1.00 0.00 C ATOM 333 C LEU A 69 -7.229 -9.497 0.762 1.00 0.00 C ATOM 334 O LEU A 69 -7.028 -10.130 1.800 1.00 0.00 O ATOM 335 CB LEU A 69 -7.719 -11.719 -0.282 1.00 0.00 C ATOM 336 CG LEU A 69 -8.708 -12.106 0.823 1.00 0.00 C ATOM 337 CD1 LEU A 69 -9.952 -12.746 0.228 1.00 0.00 C ATOM 338 CD2 LEU A 69 -8.050 -13.046 1.823 1.00 0.00 C ATOM 0 H LEU A 69 -5.635 -9.877 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.547 -9.831 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.025 -12.203 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.737 -12.115 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.007 -11.199 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.642 -13.014 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.436 -12.041 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.671 -13.643 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.767 -13.310 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.721 -13.950 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.190 -12.552 2.275 1.00 0.00 H new ATOM 350 N LEU A 70 -7.151 -8.172 0.696 1.00 0.00 N ATOM 351 CA LEU A 70 -6.818 -7.365 1.863 1.00 0.00 C ATOM 352 C LEU A 70 -5.515 -7.839 2.508 1.00 0.00 C ATOM 353 O LEU A 70 -5.460 -8.099 3.710 1.00 0.00 O ATOM 354 CB LEU A 70 -7.967 -7.414 2.873 1.00 0.00 C ATOM 355 CG LEU A 70 -8.639 -6.069 3.149 1.00 0.00 C ATOM 356 CD1 LEU A 70 -10.013 -6.277 3.768 1.00 0.00 C ATOM 357 CD2 LEU A 70 -7.766 -5.215 4.056 1.00 0.00 C ATOM 0 H LEU A 70 -7.314 -7.634 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.672 -6.334 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.721 -8.113 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.588 -7.814 3.813 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.766 -5.545 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.477 -5.309 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.638 -6.851 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.910 -6.821 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.259 -4.261 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.608 -5.733 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.804 -5.038 3.574 1.00 0.00 H new ATOM 369 N ILE A 71 -4.463 -7.946 1.701 1.00 0.00 N ATOM 370 CA ILE A 71 -3.163 -8.386 2.197 1.00 0.00 C ATOM 371 C ILE A 71 -2.238 -7.197 2.444 1.00 0.00 C ATOM 372 O ILE A 71 -1.515 -7.162 3.440 1.00 0.00 O ATOM 373 CB ILE A 71 -2.482 -9.363 1.215 1.00 0.00 C ATOM 374 CG1 ILE A 71 -1.155 -9.864 1.794 1.00 0.00 C ATOM 375 CG2 ILE A 71 -2.256 -8.697 -0.135 1.00 0.00 C ATOM 376 CD1 ILE A 71 -1.287 -10.484 3.169 1.00 0.00 C ATOM 0 H ILE A 71 -4.485 -7.735 0.703 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.344 -8.904 3.139 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.142 -10.218 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.726 -10.599 1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.454 -9.031 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.775 -9.402 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.214 -8.388 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.617 -7.823 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.308 -10.815 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.686 -9.746 3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.962 -11.338 3.120 1.00 0.00 H new ATOM 388 N PHE A 72 -2.264 -6.230 1.535 1.00 0.00 N ATOM 389 CA PHE A 72 -1.423 -5.044 1.658 1.00 0.00 C ATOM 390 C PHE A 72 -2.019 -4.056 2.663 1.00 0.00 C ATOM 391 O PHE A 72 -3.083 -3.488 2.423 1.00 0.00 O ATOM 392 CB PHE A 72 -1.260 -4.366 0.297 1.00 0.00 C ATOM 393 CG PHE A 72 0.072 -3.695 0.117 1.00 0.00 C ATOM 394 CD1 PHE A 72 0.252 -2.374 0.493 1.00 0.00 C ATOM 395 CD2 PHE A 72 1.144 -4.385 -0.426 1.00 0.00 C ATOM 396 CE1 PHE A 72 1.476 -1.754 0.330 1.00 0.00 C ATOM 397 CE2 PHE A 72 2.370 -3.771 -0.591 1.00 0.00 C ATOM 398 CZ PHE A 72 2.536 -2.452 -0.213 1.00 0.00 C ATOM 0 H PHE A 72 -2.857 -6.243 0.705 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.444 -5.359 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.392 -5.110 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.050 -3.626 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.574 -1.823 0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.019 -5.416 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.603 -0.724 0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.198 -4.321 -1.015 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.493 -1.968 -0.342 1.00 0.00 H new ATOM 408 N PRO A 73 -1.339 -3.836 3.803 1.00 0.00 N ATOM 409 CA PRO A 73 -1.816 -2.908 4.836 1.00 0.00 C ATOM 410 C PRO A 73 -2.100 -1.518 4.277 1.00 0.00 C ATOM 411 O PRO A 73 -1.301 -0.967 3.521 1.00 0.00 O ATOM 412 CB PRO A 73 -0.655 -2.856 5.834 1.00 0.00 C ATOM 413 CG PRO A 73 0.076 -4.139 5.636 1.00 0.00 C ATOM 414 CD PRO A 73 -0.058 -4.468 4.176 1.00 0.00 C ATOM 0 HA PRO A 73 -2.758 -3.237 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.008 -1.999 5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.017 -2.761 6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.124 -4.039 5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.348 -4.930 6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.773 -4.067 3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.076 -5.545 4.006 1.00 0.00 H new ATOM 422 N ARG A 74 -3.243 -0.956 4.657 1.00 0.00 N ATOM 423 CA ARG A 74 -3.633 0.372 4.195 1.00 0.00 C ATOM 424 C ARG A 74 -4.618 1.019 5.164 1.00 0.00 C ATOM 425 O ARG A 74 -5.833 0.874 5.016 1.00 0.00 O ATOM 426 CB ARG A 74 -4.258 0.285 2.799 1.00 0.00 C ATOM 427 CG ARG A 74 -3.247 0.409 1.672 1.00 0.00 C ATOM 428 CD ARG A 74 -3.931 0.642 0.335 1.00 0.00 C ATOM 429 NE ARG A 74 -4.050 -0.589 -0.443 1.00 0.00 N ATOM 430 CZ ARG A 74 -4.857 -0.729 -1.493 1.00 0.00 C ATOM 431 NH1 ARG A 74 -5.617 0.282 -1.893 1.00 0.00 N ATOM 432 NH2 ARG A 74 -4.903 -1.884 -2.143 1.00 0.00 N ATOM 0 H ARG A 74 -3.915 -1.399 5.283 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.737 0.991 4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.782 -0.666 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.005 1.072 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.565 1.233 1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.644 -0.498 1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.923 1.061 0.504 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.367 1.379 -0.237 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.481 -1.389 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.585 1.172 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.233 0.169 -2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.321 -2.664 -1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.521 -1.992 -2.947 1.00 0.00 H new ATOM 446 N GLU A 75 -4.093 1.730 6.156 1.00 0.00 N ATOM 447 CA GLU A 75 -4.935 2.394 7.143 1.00 0.00 C ATOM 448 C GLU A 75 -4.263 3.650 7.692 1.00 0.00 C ATOM 449 O GLU A 75 -4.659 4.770 7.367 1.00 0.00 O ATOM 450 CB GLU A 75 -5.268 1.433 8.289 1.00 0.00 C ATOM 451 CG GLU A 75 -6.748 1.376 8.624 1.00 0.00 C ATOM 452 CD GLU A 75 -7.073 2.031 9.952 1.00 0.00 C ATOM 453 OE1 GLU A 75 -6.563 1.555 10.988 1.00 0.00 O ATOM 454 OE2 GLU A 75 -7.836 3.020 9.956 1.00 0.00 O ATOM 0 H GLU A 75 -3.091 1.861 6.297 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.858 2.694 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.925 0.433 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.714 1.735 9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.315 1.867 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.071 0.335 8.648 1.00 0.00 H new ATOM 461 N ASP A 76 -3.248 3.458 8.531 1.00 0.00 N ATOM 462 CA ASP A 76 -2.530 4.579 9.128 1.00 0.00 C ATOM 463 C ASP A 76 -1.275 4.919 8.330 1.00 0.00 C ATOM 464 O ASP A 76 -0.393 4.079 8.152 1.00 0.00 O ATOM 465 CB ASP A 76 -2.153 4.255 10.576 1.00 0.00 C ATOM 466 CG ASP A 76 -3.361 3.892 11.419 1.00 0.00 C ATOM 467 OD1 ASP A 76 -3.760 2.709 11.406 1.00 0.00 O ATOM 468 OD2 ASP A 76 -3.907 4.793 12.092 1.00 0.00 O ATOM 0 H ASP A 76 -2.906 2.539 8.812 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.190 5.446 9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.443 3.428 10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.649 5.114 11.019 1.00 0.00 H new ATOM 473 N LEU A 77 -1.202 6.160 7.855 1.00 0.00 N ATOM 474 CA LEU A 77 -0.054 6.619 7.079 1.00 0.00 C ATOM 475 C LEU A 77 0.214 5.695 5.894 1.00 0.00 C ATOM 476 O LEU A 77 0.803 4.626 6.051 1.00 0.00 O ATOM 477 CB LEU A 77 1.188 6.699 7.967 1.00 0.00 C ATOM 478 CG LEU A 77 2.310 7.595 7.432 1.00 0.00 C ATOM 479 CD1 LEU A 77 2.238 8.976 8.062 1.00 0.00 C ATOM 480 CD2 LEU A 77 3.667 6.960 7.689 1.00 0.00 C ATOM 0 H LEU A 77 -1.925 6.866 7.994 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.285 7.612 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.890 7.063 8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.582 5.692 8.106 1.00 0.00 H new ATOM 0 HG LEU A 77 2.179 7.703 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.043 9.597 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.278 9.434 7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.342 8.888 9.144 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.452 7.610 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.806 6.821 8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.717 5.993 7.188 1.00 0.00 H new ATOM 492 N ASP A 78 -0.221 6.114 4.712 1.00 0.00 N ATOM 493 CA ASP A 78 -0.027 5.321 3.505 1.00 0.00 C ATOM 494 C ASP A 78 1.417 5.408 3.022 1.00 0.00 C ATOM 495 O ASP A 78 1.793 6.348 2.324 1.00 0.00 O ATOM 496 CB ASP A 78 -0.976 5.787 2.401 1.00 0.00 C ATOM 497 CG ASP A 78 -2.434 5.616 2.783 1.00 0.00 C ATOM 498 OD1 ASP A 78 -2.982 4.518 2.556 1.00 0.00 O ATOM 499 OD2 ASP A 78 -3.027 6.582 3.309 1.00 0.00 O ATOM 0 H ASP A 78 -0.710 6.997 4.564 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.248 4.281 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.782 6.836 2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.773 5.224 1.490 1.00 0.00 H new ATOM 504 N MET A 79 2.219 4.420 3.401 1.00 0.00 N ATOM 505 CA MET A 79 3.622 4.379 3.007 1.00 0.00 C ATOM 506 C MET A 79 3.759 4.277 1.489 1.00 0.00 C ATOM 507 O MET A 79 4.769 4.686 0.918 1.00 0.00 O ATOM 508 CB MET A 79 4.330 3.198 3.673 1.00 0.00 C ATOM 509 CG MET A 79 4.760 3.477 5.104 1.00 0.00 C ATOM 510 SD MET A 79 6.000 2.311 5.698 1.00 0.00 S ATOM 511 CE MET A 79 6.423 3.041 7.278 1.00 0.00 C ATOM 0 H MET A 79 1.921 3.636 3.981 1.00 0.00 H new ATOM 0 HA MET A 79 4.091 5.306 3.336 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.665 2.334 3.664 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.207 2.932 3.084 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.159 4.489 5.168 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.887 3.436 5.756 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.182 2.432 7.769 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.811 4.047 7.122 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.534 3.089 7.906 1.00 0.00 H new ATOM 521 N ILE A 80 2.736 3.724 0.844 1.00 0.00 N ATOM 522 CA ILE A 80 2.741 3.563 -0.605 1.00 0.00 C ATOM 523 C ILE A 80 2.841 4.909 -1.314 1.00 0.00 C ATOM 524 O ILE A 80 3.740 5.127 -2.127 1.00 0.00 O ATOM 525 CB ILE A 80 1.475 2.833 -1.094 1.00 0.00 C ATOM 526 CG1 ILE A 80 1.229 1.572 -0.262 1.00 0.00 C ATOM 527 CG2 ILE A 80 1.601 2.485 -2.571 1.00 0.00 C ATOM 528 CD1 ILE A 80 0.083 1.708 0.718 1.00 0.00 C ATOM 0 H ILE A 80 1.893 3.380 1.303 1.00 0.00 H new ATOM 0 HA ILE A 80 3.618 2.963 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 80 0.621 3.498 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.025 0.738 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.138 1.325 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.699 1.970 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.730 3.399 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.464 1.837 -2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.034 0.777 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.293 2.521 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.837 1.924 0.175 1.00 0.00 H new ATOM 540 N LEU A 81 1.911 5.807 -1.007 1.00 0.00 N ATOM 541 CA LEU A 81 1.900 7.132 -1.623 1.00 0.00 C ATOM 542 C LEU A 81 2.881 8.077 -0.932 1.00 0.00 C ATOM 543 O LEU A 81 3.228 9.126 -1.475 1.00 0.00 O ATOM 544 CB LEU A 81 0.489 7.728 -1.590 1.00 0.00 C ATOM 545 CG LEU A 81 -0.251 7.583 -0.257 1.00 0.00 C ATOM 546 CD1 LEU A 81 -0.697 8.943 0.260 1.00 0.00 C ATOM 547 CD2 LEU A 81 -1.445 6.652 -0.411 1.00 0.00 C ATOM 0 H LEU A 81 1.158 5.644 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 81 2.214 7.015 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.554 8.788 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.106 7.254 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 81 0.434 7.149 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.221 8.818 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.175 9.580 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.365 9.407 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.960 6.560 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.130 7.059 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.101 5.669 -0.734 1.00 0.00 H new ATOM 559 N LYS A 82 3.330 7.702 0.261 1.00 0.00 N ATOM 560 CA LYS A 82 4.273 8.521 1.013 1.00 0.00 C ATOM 561 C LYS A 82 5.696 8.315 0.501 1.00 0.00 C ATOM 562 O LYS A 82 6.546 9.197 0.628 1.00 0.00 O ATOM 563 CB LYS A 82 4.201 8.187 2.503 1.00 0.00 C ATOM 564 CG LYS A 82 3.056 8.880 3.226 1.00 0.00 C ATOM 565 CD LYS A 82 3.549 9.671 4.428 1.00 0.00 C ATOM 566 CE LYS A 82 2.661 10.874 4.708 1.00 0.00 C ATOM 567 NZ LYS A 82 3.456 12.113 4.930 1.00 0.00 N ATOM 0 H LYS A 82 3.056 6.837 0.727 1.00 0.00 H new ATOM 0 HA LYS A 82 4.001 9.567 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.095 7.109 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.142 8.468 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.541 9.549 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.328 8.137 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.574 9.024 5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.571 10.006 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.980 11.025 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.047 10.675 5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.813 12.909 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.088 11.979 5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.023 12.318 4.083 1.00 0.00 H new ATOM 581 N MET A 83 5.946 7.147 -0.082 1.00 0.00 N ATOM 582 CA MET A 83 7.263 6.825 -0.616 1.00 0.00 C ATOM 583 C MET A 83 7.263 6.891 -2.142 1.00 0.00 C ATOM 584 O MET A 83 8.311 7.070 -2.763 1.00 0.00 O ATOM 585 CB MET A 83 7.698 5.433 -0.154 1.00 0.00 C ATOM 586 CG MET A 83 8.470 5.442 1.156 1.00 0.00 C ATOM 587 SD MET A 83 9.112 3.815 1.595 1.00 0.00 S ATOM 588 CE MET A 83 7.666 3.072 2.346 1.00 0.00 C ATOM 0 H MET A 83 5.253 6.408 -0.196 1.00 0.00 H new ATOM 0 HA MET A 83 7.971 7.563 -0.238 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.815 4.804 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 83 8.317 4.979 -0.928 1.00 0.00 H new ATOM 0 HG2 MET A 83 9.298 6.147 1.080 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.819 5.799 1.954 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.932 2.102 2.765 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.294 3.721 3.139 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.891 2.941 1.591 1.00 0.00 H new ATOM 598 N ASP A 84 6.084 6.747 -2.741 1.00 0.00 N ATOM 599 CA ASP A 84 5.954 6.794 -4.192 1.00 0.00 C ATOM 600 C ASP A 84 6.169 8.213 -4.708 1.00 0.00 C ATOM 601 O ASP A 84 7.164 8.495 -5.375 1.00 0.00 O ATOM 602 CB ASP A 84 4.575 6.284 -4.620 1.00 0.00 C ATOM 603 CG ASP A 84 4.415 6.249 -6.127 1.00 0.00 C ATOM 604 OD1 ASP A 84 5.124 5.456 -6.781 1.00 0.00 O ATOM 605 OD2 ASP A 84 3.579 7.014 -6.652 1.00 0.00 O ATOM 0 H ASP A 84 5.206 6.597 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 84 6.719 6.149 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.420 5.283 -4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.804 6.924 -4.190 1.00 0.00 H new ATOM 610 N SER A 85 5.232 9.100 -4.393 1.00 0.00 N ATOM 611 CA SER A 85 5.324 10.491 -4.822 1.00 0.00 C ATOM 612 C SER A 85 4.687 11.425 -3.791 1.00 0.00 C ATOM 613 O SER A 85 5.350 11.860 -2.851 1.00 0.00 O ATOM 614 CB SER A 85 4.662 10.670 -6.193 1.00 0.00 C ATOM 615 OG SER A 85 3.451 9.937 -6.274 1.00 0.00 O ATOM 0 H SER A 85 4.401 8.881 -3.843 1.00 0.00 H new ATOM 0 HA SER A 85 6.379 10.753 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.463 11.727 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.344 10.339 -6.976 1.00 0.00 H new ATOM 0 HG SER A 85 3.652 8.986 -6.400 1.00 0.00 H new ATOM 621 N LEU A 86 3.398 11.729 -3.968 1.00 0.00 N ATOM 622 CA LEU A 86 2.681 12.610 -3.049 1.00 0.00 C ATOM 623 C LEU A 86 3.509 13.846 -2.701 1.00 0.00 C ATOM 624 O LEU A 86 3.383 14.402 -1.610 1.00 0.00 O ATOM 625 CB LEU A 86 2.311 11.856 -1.770 1.00 0.00 C ATOM 626 CG LEU A 86 1.245 12.529 -0.904 1.00 0.00 C ATOM 627 CD1 LEU A 86 -0.137 12.328 -1.508 1.00 0.00 C ATOM 628 CD2 LEU A 86 1.291 11.985 0.516 1.00 0.00 C ATOM 0 H LEU A 86 2.832 11.377 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 86 1.771 12.940 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.960 10.861 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.212 11.723 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 86 1.453 13.598 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.883 12.813 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.165 12.765 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.355 11.262 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.526 12.475 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.108 10.911 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.273 12.179 0.948 1.00 0.00 H new ATOM 640 N ARG A 87 4.357 14.268 -3.634 1.00 0.00 N ATOM 641 CA ARG A 87 5.207 15.435 -3.420 1.00 0.00 C ATOM 642 C ARG A 87 5.108 16.416 -4.585 1.00 0.00 C ATOM 643 O ARG A 87 5.199 17.625 -4.392 1.00 0.00 O ATOM 644 CB ARG A 87 6.661 15.003 -3.222 1.00 0.00 C ATOM 645 CG ARG A 87 7.032 14.763 -1.767 1.00 0.00 C ATOM 646 CD ARG A 87 6.937 16.041 -0.947 1.00 0.00 C ATOM 647 NE ARG A 87 5.961 15.929 0.133 1.00 0.00 N ATOM 648 CZ ARG A 87 6.203 15.320 1.293 1.00 0.00 C ATOM 649 NH1 ARG A 87 7.386 14.765 1.524 1.00 0.00 N ATOM 650 NH2 ARG A 87 5.259 15.266 2.222 1.00 0.00 N ATOM 0 H ARG A 87 4.474 13.821 -4.543 1.00 0.00 H new ATOM 0 HA ARG A 87 4.857 15.941 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.840 14.090 -3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.318 15.769 -3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.371 14.007 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.046 14.368 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.915 16.276 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.662 16.870 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 87 5.039 16.342 -0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.115 14.803 0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.566 14.300 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.348 15.691 2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.444 14.800 3.110 1.00 0.00 H new ATOM 664 N ASP A 88 4.919 15.895 -5.794 1.00 0.00 N ATOM 665 CA ASP A 88 4.806 16.742 -6.979 1.00 0.00 C ATOM 666 C ASP A 88 3.497 17.535 -6.971 1.00 0.00 C ATOM 667 O ASP A 88 3.312 18.452 -7.775 1.00 0.00 O ATOM 668 CB ASP A 88 4.891 15.890 -8.247 1.00 0.00 C ATOM 669 CG ASP A 88 6.321 15.677 -8.708 1.00 0.00 C ATOM 670 OD1 ASP A 88 7.233 15.732 -7.855 1.00 0.00 O ATOM 671 OD2 ASP A 88 6.528 15.455 -9.919 1.00 0.00 O ATOM 0 H ASP A 88 4.841 14.895 -5.979 1.00 0.00 H new ATOM 0 HA ASP A 88 5.634 17.451 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.424 14.923 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.324 16.372 -9.043 1.00 0.00 H new ATOM 676 N ILE A 89 2.603 17.188 -6.048 1.00 0.00 N ATOM 677 CA ILE A 89 1.322 17.869 -5.923 1.00 0.00 C ATOM 678 C ILE A 89 1.470 19.053 -4.990 1.00 0.00 C ATOM 679 O ILE A 89 1.161 20.187 -5.352 1.00 0.00 O ATOM 680 CB ILE A 89 0.227 16.931 -5.381 1.00 0.00 C ATOM 681 CG1 ILE A 89 0.259 15.593 -6.116 1.00 0.00 C ATOM 682 CG2 ILE A 89 -1.143 17.580 -5.511 1.00 0.00 C ATOM 683 CD1 ILE A 89 -0.035 15.723 -7.586 1.00 0.00 C ATOM 0 H ILE A 89 2.746 16.436 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 89 1.022 18.201 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 89 0.421 16.748 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.240 15.137 -5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.468 14.919 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.904 16.903 -5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.161 18.510 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.347 17.792 -6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.002 14.739 -8.053 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.028 16.152 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.707 16.373 -8.049 1.00 0.00 H new ATOM 695 N GLU A 90 1.981 18.783 -3.797 1.00 0.00 N ATOM 696 CA GLU A 90 2.221 19.829 -2.819 1.00 0.00 C ATOM 697 C GLU A 90 3.337 20.739 -3.322 1.00 0.00 C ATOM 698 O GLU A 90 3.513 21.857 -2.841 1.00 0.00 O ATOM 699 CB GLU A 90 2.602 19.217 -1.469 1.00 0.00 C ATOM 700 CG GLU A 90 2.960 20.247 -0.410 1.00 0.00 C ATOM 701 CD GLU A 90 3.472 19.614 0.869 1.00 0.00 C ATOM 702 OE1 GLU A 90 2.712 18.848 1.498 1.00 0.00 O ATOM 703 OE2 GLU A 90 4.632 19.886 1.243 1.00 0.00 O ATOM 0 H GLU A 90 2.237 17.846 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 90 1.311 20.414 -2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.771 18.611 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.449 18.545 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.719 20.922 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.082 20.852 -0.185 1.00 0.00 H new ATOM 710 N ALA A 91 4.085 20.240 -4.308 1.00 0.00 N ATOM 711 CA ALA A 91 5.185 20.983 -4.903 1.00 0.00 C ATOM 712 C ALA A 91 4.678 21.845 -6.048 1.00 0.00 C ATOM 713 O ALA A 91 4.979 23.034 -6.127 1.00 0.00 O ATOM 714 CB ALA A 91 6.265 20.030 -5.390 1.00 0.00 C ATOM 0 H ALA A 91 3.942 19.314 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 91 5.618 21.635 -4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.081 20.601 -5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.643 19.448 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.846 19.357 -6.138 1.00 0.00 H new ATOM 720 N LEU A 92 3.883 21.242 -6.927 1.00 0.00 N ATOM 721 CA LEU A 92 3.315 21.976 -8.048 1.00 0.00 C ATOM 722 C LEU A 92 2.377 23.062 -7.531 1.00 0.00 C ATOM 723 O LEU A 92 2.136 24.067 -8.200 1.00 0.00 O ATOM 724 CB LEU A 92 2.560 21.033 -8.987 1.00 0.00 C ATOM 725 CG LEU A 92 3.397 20.444 -10.125 1.00 0.00 C ATOM 726 CD1 LEU A 92 2.656 19.300 -10.796 1.00 0.00 C ATOM 727 CD2 LEU A 92 3.747 21.524 -11.139 1.00 0.00 C ATOM 0 H LEU A 92 3.621 20.257 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 92 4.127 22.438 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.147 20.214 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.717 21.573 -9.418 1.00 0.00 H new ATOM 0 HG LEU A 92 4.323 20.051 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.267 18.894 -11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.455 18.518 -10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.714 19.666 -11.204 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.342 21.090 -11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.831 21.945 -11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.319 22.312 -10.649 1.00 0.00 H new ATOM 739 N LEU A 93 1.858 22.850 -6.323 1.00 0.00 N ATOM 740 CA LEU A 93 0.954 23.801 -5.698 1.00 0.00 C ATOM 741 C LEU A 93 1.726 24.802 -4.846 1.00 0.00 C ATOM 742 O LEU A 93 1.375 25.979 -4.794 1.00 0.00 O ATOM 743 CB LEU A 93 -0.077 23.069 -4.836 1.00 0.00 C ATOM 744 CG LEU A 93 -1.492 23.027 -5.415 1.00 0.00 C ATOM 745 CD1 LEU A 93 -2.073 24.430 -5.505 1.00 0.00 C ATOM 746 CD2 LEU A 93 -1.489 22.361 -6.783 1.00 0.00 C ATOM 0 H LEU A 93 2.052 22.023 -5.759 1.00 0.00 H new ATOM 0 HA LEU A 93 0.435 24.344 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.265 22.046 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.115 23.547 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.120 22.437 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.080 24.381 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.111 24.873 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.445 25.043 -6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.504 22.340 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.846 22.924 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.114 21.342 -6.691 1.00 0.00 H new ATOM 758 N THR A 94 2.781 24.340 -4.182 1.00 0.00 N ATOM 759 CA THR A 94 3.576 25.238 -3.347 1.00 0.00 C ATOM 760 C THR A 94 4.468 26.137 -4.204 1.00 0.00 C ATOM 761 O THR A 94 5.035 27.112 -3.709 1.00 0.00 O ATOM 762 CB THR A 94 4.420 24.454 -2.342 1.00 0.00 C ATOM 763 OG1 THR A 94 4.950 25.320 -1.353 1.00 0.00 O ATOM 764 CG2 THR A 94 5.578 23.726 -2.975 1.00 0.00 C ATOM 0 H THR A 94 3.101 23.372 -4.203 1.00 0.00 H new ATOM 0 HA THR A 94 2.883 25.870 -2.791 1.00 0.00 H new ATOM 0 HB THR A 94 3.743 23.719 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.192 26.176 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.135 23.190 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.202 23.016 -3.712 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.235 24.444 -3.465 1.00 0.00 H new ATOM 772 N GLY A 95 4.595 25.802 -5.487 1.00 0.00 N ATOM 773 CA GLY A 95 5.426 26.589 -6.380 1.00 0.00 C ATOM 774 C GLY A 95 4.644 27.244 -7.505 1.00 0.00 C ATOM 775 O GLY A 95 5.017 28.319 -7.975 1.00 0.00 O ATOM 0 H GLY A 95 4.137 25.001 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.937 27.361 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.197 25.948 -6.808 1.00 0.00 H new ATOM 779 N LEU A 96 3.564 26.601 -7.950 1.00 0.00 N ATOM 780 CA LEU A 96 2.756 27.150 -9.039 1.00 0.00 C ATOM 781 C LEU A 96 1.341 27.499 -8.586 1.00 0.00 C ATOM 782 O LEU A 96 0.532 27.982 -9.378 1.00 0.00 O ATOM 783 CB LEU A 96 2.705 26.165 -10.206 1.00 0.00 C ATOM 784 CG LEU A 96 3.558 26.550 -11.417 1.00 0.00 C ATOM 785 CD1 LEU A 96 3.124 27.899 -11.969 1.00 0.00 C ATOM 786 CD2 LEU A 96 5.032 26.575 -11.041 1.00 0.00 C ATOM 0 H LEU A 96 3.232 25.711 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 96 3.233 28.075 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.028 25.187 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.669 26.061 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 96 3.413 25.800 -12.194 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.742 28.156 -12.829 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.079 27.848 -12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.240 28.662 -11.199 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.625 26.850 -11.913 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.193 27.305 -10.247 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.335 25.588 -10.693 1.00 0.00 H new ATOM 798 N PHE A 97 1.060 27.259 -7.314 1.00 0.00 N ATOM 799 CA PHE A 97 -0.245 27.547 -6.721 1.00 0.00 C ATOM 800 C PHE A 97 -1.399 27.286 -7.699 1.00 0.00 C ATOM 801 O PHE A 97 -1.897 26.164 -7.790 1.00 0.00 O ATOM 802 CB PHE A 97 -0.289 28.988 -6.195 1.00 0.00 C ATOM 803 CG PHE A 97 0.623 29.944 -6.918 1.00 0.00 C ATOM 804 CD1 PHE A 97 2.002 29.824 -6.814 1.00 0.00 C ATOM 805 CD2 PHE A 97 0.103 30.966 -7.697 1.00 0.00 C ATOM 806 CE1 PHE A 97 2.841 30.703 -7.473 1.00 0.00 C ATOM 807 CE2 PHE A 97 0.938 31.847 -8.358 1.00 0.00 C ATOM 808 CZ PHE A 97 2.308 31.715 -8.246 1.00 0.00 C ATOM 0 H PHE A 97 1.731 26.858 -6.659 1.00 0.00 H new ATOM 0 HA PHE A 97 -0.379 26.863 -5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.312 29.357 -6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.026 28.984 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.425 29.034 -6.211 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.968 31.075 -7.789 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.912 30.598 -7.383 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.519 32.638 -8.962 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.962 32.402 -8.762 1.00 0.00 H new ATOM 818 N VAL A 98 -1.820 28.320 -8.426 1.00 0.00 N ATOM 819 CA VAL A 98 -2.910 28.187 -9.385 1.00 0.00 C ATOM 820 C VAL A 98 -2.602 27.117 -10.427 1.00 0.00 C ATOM 821 O VAL A 98 -1.440 26.807 -10.690 1.00 0.00 O ATOM 822 CB VAL A 98 -3.191 29.520 -10.103 1.00 0.00 C ATOM 823 CG1 VAL A 98 -4.451 29.416 -10.950 1.00 0.00 C ATOM 824 CG2 VAL A 98 -3.305 30.657 -9.098 1.00 0.00 C ATOM 0 H VAL A 98 -1.422 29.257 -8.368 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.794 27.893 -8.819 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.353 29.737 -10.766 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.633 30.368 -11.450 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.324 28.633 -11.697 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.300 29.173 -10.311 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.504 31.590 -9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.121 30.450 -8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.372 30.746 -8.542 1.00 0.00 H new ATOM 834 N GLN A 99 -3.653 26.555 -11.019 1.00 0.00 N ATOM 835 CA GLN A 99 -3.496 25.518 -12.034 1.00 0.00 C ATOM 836 C GLN A 99 -4.853 25.090 -12.588 1.00 0.00 C ATOM 837 O GLN A 99 -5.483 24.170 -12.068 1.00 0.00 O ATOM 838 CB GLN A 99 -2.762 24.309 -11.449 1.00 0.00 C ATOM 839 CG GLN A 99 -1.362 24.120 -12.007 1.00 0.00 C ATOM 840 CD GLN A 99 -0.556 23.100 -11.225 1.00 0.00 C ATOM 841 OE1 GLN A 99 -0.459 23.302 -9.915 1.00 0.00 O flip ATOM 842 NE2 GLN A 99 -0.028 22.144 -11.790 1.00 0.00 N flip ATOM 0 H GLN A 99 -4.621 26.800 -10.813 1.00 0.00 H new ATOM 0 HA GLN A 99 -2.905 25.930 -12.852 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.701 24.420 -10.366 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.347 23.410 -11.644 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.429 23.804 -13.048 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.839 25.076 -11.997 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.129 22.028 -12.798 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.511 21.467 -11.250 1.00 0.00 H new ATOM 851 N ASP A 100 -5.293 25.762 -13.648 1.00 0.00 N ATOM 852 CA ASP A 100 -6.574 25.448 -14.273 1.00 0.00 C ATOM 853 C ASP A 100 -6.419 25.232 -15.778 1.00 0.00 C ATOM 854 O ASP A 100 -7.410 25.148 -16.504 1.00 0.00 O ATOM 855 CB ASP A 100 -7.580 26.569 -14.010 1.00 0.00 C ATOM 856 CG ASP A 100 -7.110 27.907 -14.546 1.00 0.00 C ATOM 857 OD1 ASP A 100 -6.034 28.374 -14.117 1.00 0.00 O ATOM 858 OD2 ASP A 100 -7.817 28.488 -15.396 1.00 0.00 O ATOM 0 H ASP A 100 -4.783 26.526 -14.091 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.943 24.522 -13.832 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.534 26.312 -14.470 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.755 26.652 -12.937 1.00 0.00 H new ATOM 863 N ASN A 101 -5.176 25.141 -16.244 1.00 0.00 N ATOM 864 CA ASN A 101 -4.904 24.934 -17.664 1.00 0.00 C ATOM 865 C ASN A 101 -5.587 25.999 -18.516 1.00 0.00 C ATOM 866 O ASN A 101 -6.154 26.958 -17.992 1.00 0.00 O ATOM 867 CB ASN A 101 -5.374 23.540 -18.091 1.00 0.00 C ATOM 868 CG ASN A 101 -4.238 22.539 -18.149 1.00 0.00 C ATOM 869 OD1 ASN A 101 -3.460 22.518 -19.102 1.00 0.00 O ATOM 870 ND2 ASN A 101 -4.138 21.699 -17.126 1.00 0.00 N ATOM 0 H ASN A 101 -4.342 25.207 -15.660 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.828 25.014 -17.818 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -6.132 23.185 -17.392 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.849 23.604 -19.070 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.394 21.001 -17.110 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.805 21.751 -16.356 1.00 0.00 H new ATOM 877 N VAL A 102 -5.531 25.823 -19.832 1.00 0.00 N ATOM 878 CA VAL A 102 -6.147 26.766 -20.757 1.00 0.00 C ATOM 879 C VAL A 102 -7.292 26.110 -21.522 1.00 0.00 C ATOM 880 O VAL A 102 -7.259 24.910 -21.798 1.00 0.00 O ATOM 881 CB VAL A 102 -5.119 27.321 -21.763 1.00 0.00 C ATOM 882 CG1 VAL A 102 -4.531 26.198 -22.605 1.00 0.00 C ATOM 883 CG2 VAL A 102 -5.752 28.386 -22.647 1.00 0.00 C ATOM 0 H VAL A 102 -5.065 25.035 -20.282 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.537 27.590 -20.160 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.308 27.785 -21.202 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.808 26.611 -23.308 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.034 25.478 -21.955 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.329 25.700 -23.156 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.009 28.764 -23.349 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.586 27.952 -23.199 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -6.115 29.205 -22.026 1.00 0.00 H new ATOM 893 N ASN A 103 -8.304 26.901 -21.860 1.00 0.00 N ATOM 894 CA ASN A 103 -9.459 26.392 -22.590 1.00 0.00 C ATOM 895 C ASN A 103 -10.162 25.297 -21.794 1.00 0.00 C ATOM 896 O ASN A 103 -9.748 24.956 -20.687 1.00 0.00 O ATOM 897 CB ASN A 103 -9.027 25.849 -23.953 1.00 0.00 C ATOM 898 CG ASN A 103 -8.560 26.943 -24.891 1.00 0.00 C ATOM 899 OD1 ASN A 103 -7.385 27.005 -25.254 1.00 0.00 O ATOM 900 ND2 ASN A 103 -9.477 27.814 -25.291 1.00 0.00 N ATOM 0 H ASN A 103 -8.348 27.896 -21.640 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.157 27.216 -22.739 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.223 25.126 -23.814 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.861 25.315 -24.409 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.219 28.572 -25.924 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.440 27.726 -24.966 1.00 0.00 H new ATOM 907 N LYS A 104 -11.226 24.747 -22.368 1.00 0.00 N ATOM 908 CA LYS A 104 -11.987 23.688 -21.715 1.00 0.00 C ATOM 909 C LYS A 104 -12.691 22.815 -22.748 1.00 0.00 C ATOM 910 O LYS A 104 -12.596 21.588 -22.705 1.00 0.00 O ATOM 911 CB LYS A 104 -13.013 24.285 -20.750 1.00 0.00 C ATOM 912 CG LYS A 104 -13.346 23.374 -19.578 1.00 0.00 C ATOM 913 CD LYS A 104 -14.839 23.341 -19.302 1.00 0.00 C ATOM 914 CE LYS A 104 -15.127 23.201 -17.815 1.00 0.00 C ATOM 915 NZ LYS A 104 -15.335 21.781 -17.421 1.00 0.00 N ATOM 0 H LYS A 104 -11.582 25.017 -23.285 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.290 23.068 -21.151 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.632 25.232 -20.367 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.928 24.508 -21.298 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.992 22.365 -19.789 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.818 23.717 -18.688 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.300 24.254 -19.679 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -15.292 22.509 -19.841 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.298 23.618 -17.244 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -16.014 23.782 -17.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.528 21.729 -16.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -16.142 21.389 -17.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.480 21.231 -17.640 1.00 0.00 H new ATOM 929 N ASP A 105 -13.393 23.455 -23.675 1.00 0.00 N ATOM 930 CA ASP A 105 -14.110 22.738 -24.723 1.00 0.00 C ATOM 931 C ASP A 105 -13.152 21.883 -25.546 1.00 0.00 C ATOM 932 O ASP A 105 -13.419 20.711 -25.807 1.00 0.00 O ATOM 933 CB ASP A 105 -14.840 23.726 -25.634 1.00 0.00 C ATOM 934 CG ASP A 105 -13.921 24.805 -26.170 1.00 0.00 C ATOM 935 OD1 ASP A 105 -13.357 25.564 -25.354 1.00 0.00 O ATOM 936 OD2 ASP A 105 -13.765 24.892 -27.406 1.00 0.00 O ATOM 0 H ASP A 105 -13.481 24.470 -23.723 1.00 0.00 H new ATOM 0 HA ASP A 105 -14.840 22.082 -24.249 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -15.286 23.185 -26.469 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -15.657 24.190 -25.082 1.00 0.00 H new ATOM 941 N ALA A 106 -12.034 22.478 -25.949 1.00 0.00 N ATOM 942 CA ALA A 106 -11.034 21.773 -26.740 1.00 0.00 C ATOM 943 C ALA A 106 -10.203 20.838 -25.867 1.00 0.00 C ATOM 944 O ALA A 106 -10.255 19.613 -26.099 1.00 0.00 O ATOM 945 CB ALA A 106 -10.134 22.768 -27.458 1.00 0.00 C ATOM 946 OXT ALA A 106 -9.506 21.341 -24.960 1.00 0.00 O ATOM 0 H ALA A 106 -11.798 23.448 -25.740 1.00 0.00 H new ATOM 0 HA ALA A 106 -11.553 21.167 -27.483 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.391 22.229 -28.046 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.736 23.392 -28.119 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -9.629 23.397 -26.725 1.00 0.00 H new TER 952 ALA A 106 ATOM 953 N THR B 50 -3.804 -37.875 -3.321 1.00 0.00 N ATOM 954 CA THR B 50 -3.980 -36.931 -2.188 1.00 0.00 C ATOM 955 C THR B 50 -5.366 -37.068 -1.568 1.00 0.00 C ATOM 956 O THR B 50 -6.361 -37.229 -2.274 1.00 0.00 O ATOM 957 CB THR B 50 -3.770 -35.506 -2.703 1.00 0.00 C ATOM 958 OG1 THR B 50 -4.011 -34.560 -1.677 1.00 0.00 O ATOM 959 CG2 THR B 50 -4.666 -35.155 -3.872 1.00 0.00 C ATOM 0 HA THR B 50 -3.249 -37.162 -1.413 1.00 0.00 H new ATOM 0 HB THR B 50 -2.733 -35.469 -3.036 1.00 0.00 H new ATOM 0 HG1 THR B 50 -3.870 -33.655 -2.026 1.00 0.00 H new ATOM 0 HG21 THR B 50 -4.467 -34.131 -4.189 1.00 0.00 H new ATOM 0 HG22 THR B 50 -4.468 -35.836 -4.700 1.00 0.00 H new ATOM 0 HG23 THR B 50 -5.710 -35.245 -3.570 1.00 0.00 H new ATOM 969 N ARG B 51 -5.424 -37.003 -0.241 1.00 0.00 N ATOM 970 CA ARG B 51 -6.688 -37.121 0.477 1.00 0.00 C ATOM 971 C ARG B 51 -6.975 -35.855 1.280 1.00 0.00 C ATOM 972 O ARG B 51 -8.008 -35.211 1.093 1.00 0.00 O ATOM 973 CB ARG B 51 -6.659 -38.335 1.408 1.00 0.00 C ATOM 974 CG ARG B 51 -6.016 -39.565 0.785 1.00 0.00 C ATOM 975 CD ARG B 51 -6.982 -40.740 0.739 1.00 0.00 C ATOM 976 NE ARG B 51 -6.651 -41.676 -0.332 1.00 0.00 N ATOM 977 CZ ARG B 51 -5.579 -42.465 -0.323 1.00 0.00 C ATOM 978 NH1 ARG B 51 -4.733 -42.435 0.700 1.00 0.00 N ATOM 979 NH2 ARG B 51 -5.351 -43.286 -1.339 1.00 0.00 N ATOM 0 H ARG B 51 -4.610 -36.869 0.359 1.00 0.00 H new ATOM 0 HA ARG B 51 -7.484 -37.254 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG B 51 -6.117 -38.073 2.317 1.00 0.00 H new ATOM 0 HB3 ARG B 51 -7.679 -38.579 1.705 1.00 0.00 H new ATOM 0 HG2 ARG B 51 -5.681 -39.329 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG B 51 -5.131 -39.843 1.357 1.00 0.00 H new ATOM 0 HD2 ARG B 51 -6.964 -41.262 1.696 1.00 0.00 H new ATOM 0 HD3 ARG B 51 -7.997 -40.370 0.597 1.00 0.00 H new ATOM 0 HE ARG B 51 -7.278 -41.728 -1.134 1.00 0.00 H new ATOM 0 HH11 ARG B 51 -4.903 -41.805 1.484 1.00 0.00 H new ATOM 0 HH12 ARG B 51 -3.913 -43.042 0.702 1.00 0.00 H new ATOM 0 HH21 ARG B 51 -5.997 -43.313 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG B 51 -4.529 -43.890 -1.332 1.00 0.00 H new ATOM 993 N ALA B 52 -6.054 -35.505 2.171 1.00 0.00 N ATOM 994 CA ALA B 52 -6.206 -34.315 3.000 1.00 0.00 C ATOM 995 C ALA B 52 -4.873 -33.904 3.617 1.00 0.00 C ATOM 996 O ALA B 52 -4.609 -34.176 4.789 1.00 0.00 O ATOM 997 CB ALA B 52 -7.243 -34.556 4.087 1.00 0.00 C ATOM 0 H ALA B 52 -5.194 -36.028 2.338 1.00 0.00 H new ATOM 0 HA ALA B 52 -6.549 -33.500 2.363 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -7.345 -33.659 4.698 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -8.203 -34.794 3.628 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -6.925 -35.388 4.715 1.00 0.00 H new ATOM 1003 N HIS B 53 -4.037 -33.246 2.822 1.00 0.00 N ATOM 1004 CA HIS B 53 -2.731 -32.798 3.290 1.00 0.00 C ATOM 1005 C HIS B 53 -2.216 -31.637 2.444 1.00 0.00 C ATOM 1006 O HIS B 53 -1.008 -31.439 2.314 1.00 0.00 O ATOM 1007 CB HIS B 53 -1.729 -33.952 3.253 1.00 0.00 C ATOM 1008 CG HIS B 53 -1.604 -34.592 1.905 1.00 0.00 C ATOM 1009 ND1 HIS B 53 -1.419 -34.047 0.679 1.00 0.00 N flip ATOM 1010 CD2 HIS B 53 -1.671 -35.955 1.709 1.00 0.00 C flip ATOM 1011 CE1 HIS B 53 -1.378 -35.079 -0.223 1.00 0.00 C flip ATOM 1012 NE2 HIS B 53 -1.531 -36.221 0.423 1.00 0.00 N flip ATOM 0 H HIS B 53 -4.240 -33.011 1.851 1.00 0.00 H new ATOM 0 HA HIS B 53 -2.842 -32.454 4.318 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -0.751 -33.584 3.564 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -2.030 -34.708 3.979 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -1.816 -36.691 2.486 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -1.242 -34.975 -1.289 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -1.540 -37.149 0.001 1.00 0.00 H new ATOM 1021 N LEU B 54 -3.140 -30.872 1.869 1.00 0.00 N ATOM 1022 CA LEU B 54 -2.776 -29.732 1.033 1.00 0.00 C ATOM 1023 C LEU B 54 -2.918 -28.407 1.792 1.00 0.00 C ATOM 1024 O LEU B 54 -2.631 -27.337 1.249 1.00 0.00 O ATOM 1025 CB LEU B 54 -3.609 -29.731 -0.260 1.00 0.00 C ATOM 1026 CG LEU B 54 -5.013 -29.128 -0.164 1.00 0.00 C ATOM 1027 CD1 LEU B 54 -5.731 -29.613 1.084 1.00 0.00 C ATOM 1028 CD2 LEU B 54 -4.937 -27.612 -0.189 1.00 0.00 C ATOM 0 H LEU B 54 -4.144 -31.020 1.966 1.00 0.00 H new ATOM 0 HA LEU B 54 -1.725 -29.832 0.763 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.054 -29.186 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -3.702 -30.760 -0.607 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.589 -29.460 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.726 -29.169 1.127 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -5.819 -30.699 1.054 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -5.164 -29.319 1.967 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -5.942 -27.196 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -4.342 -27.264 0.655 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -4.473 -27.286 -1.120 1.00 0.00 H new ATOM 1040 N THR B 55 -3.346 -28.490 3.053 1.00 0.00 N ATOM 1041 CA THR B 55 -3.512 -27.306 3.892 1.00 0.00 C ATOM 1042 C THR B 55 -2.207 -26.516 3.979 1.00 0.00 C ATOM 1043 O THR B 55 -2.168 -25.311 3.704 1.00 0.00 O ATOM 1044 CB THR B 55 -3.960 -27.714 5.294 1.00 0.00 C ATOM 1045 OG1 THR B 55 -4.709 -28.916 5.251 1.00 0.00 O ATOM 1046 CG2 THR B 55 -4.811 -26.667 5.981 1.00 0.00 C ATOM 0 H THR B 55 -3.584 -29.368 3.515 1.00 0.00 H new ATOM 0 HA THR B 55 -4.274 -26.672 3.439 1.00 0.00 H new ATOM 0 HB THR B 55 -3.040 -27.841 5.865 1.00 0.00 H new ATOM 0 HG1 THR B 55 -4.985 -29.162 6.158 1.00 0.00 H new ATOM 0 HG21 THR B 55 -5.094 -27.021 6.972 1.00 0.00 H new ATOM 0 HG22 THR B 55 -4.243 -25.741 6.075 1.00 0.00 H new ATOM 0 HG23 THR B 55 -5.709 -26.484 5.391 1.00 0.00 H new ATOM 1054 N GLU B 56 -1.140 -27.207 4.360 1.00 0.00 N ATOM 1055 CA GLU B 56 0.170 -26.581 4.481 1.00 0.00 C ATOM 1056 C GLU B 56 0.531 -25.838 3.201 1.00 0.00 C ATOM 1057 O GLU B 56 1.051 -24.727 3.245 1.00 0.00 O ATOM 1058 CB GLU B 56 1.235 -27.631 4.797 1.00 0.00 C ATOM 1059 CG GLU B 56 0.829 -28.598 5.898 1.00 0.00 C ATOM 1060 CD GLU B 56 1.935 -28.825 6.911 1.00 0.00 C ATOM 1061 OE1 GLU B 56 2.146 -27.941 7.767 1.00 0.00 O ATOM 1062 OE2 GLU B 56 2.589 -29.888 6.849 1.00 0.00 O ATOM 0 H GLU B 56 -1.156 -28.201 4.590 1.00 0.00 H new ATOM 0 HA GLU B 56 0.131 -25.862 5.300 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.456 -28.196 3.892 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.156 -27.126 5.090 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -0.053 -28.212 6.409 1.00 0.00 H new ATOM 0 HG3 GLU B 56 0.547 -29.552 5.453 1.00 0.00 H new ATOM 1069 N VAL B 57 0.244 -26.455 2.060 1.00 0.00 N ATOM 1070 CA VAL B 57 0.538 -25.837 0.774 1.00 0.00 C ATOM 1071 C VAL B 57 -0.256 -24.544 0.604 1.00 0.00 C ATOM 1072 O VAL B 57 0.278 -23.527 0.133 1.00 0.00 O ATOM 1073 CB VAL B 57 0.236 -26.780 -0.405 1.00 0.00 C ATOM 1074 CG1 VAL B 57 0.964 -26.306 -1.654 1.00 0.00 C ATOM 1075 CG2 VAL B 57 0.627 -28.213 -0.066 1.00 0.00 C ATOM 0 H VAL B 57 -0.189 -27.377 2.000 1.00 0.00 H new ATOM 0 HA VAL B 57 1.605 -25.616 0.767 1.00 0.00 H new ATOM 0 HB VAL B 57 -0.837 -26.761 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL B 57 0.743 -26.980 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL B 57 0.633 -25.299 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL B 57 2.038 -26.299 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL B 57 0.404 -28.861 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.694 -28.257 0.154 1.00 0.00 H new ATOM 0 HG23 VAL B 57 0.063 -28.548 0.805 1.00 0.00 H new ATOM 1085 N GLU B 58 -1.525 -24.567 1.025 1.00 0.00 N ATOM 1086 CA GLU B 58 -2.359 -23.369 0.941 1.00 0.00 C ATOM 1087 C GLU B 58 -1.676 -22.252 1.692 1.00 0.00 C ATOM 1088 O GLU B 58 -1.263 -21.253 1.111 1.00 0.00 O ATOM 1089 CB GLU B 58 -3.760 -23.583 1.528 1.00 0.00 C ATOM 1090 CG GLU B 58 -4.233 -25.019 1.505 1.00 0.00 C ATOM 1091 CD GLU B 58 -5.668 -25.165 1.973 1.00 0.00 C ATOM 1092 OE1 GLU B 58 -5.897 -25.133 3.201 1.00 0.00 O ATOM 1093 OE2 GLU B 58 -6.561 -25.313 1.113 1.00 0.00 O ATOM 0 H GLU B 58 -1.988 -25.386 1.420 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.482 -23.123 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -3.768 -23.227 2.558 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.471 -22.970 0.974 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.143 -25.412 0.492 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -3.584 -25.622 2.140 1.00 0.00 H new ATOM 1100 N SER B 59 -1.535 -22.446 2.991 1.00 0.00 N ATOM 1101 CA SER B 59 -0.862 -21.458 3.825 1.00 0.00 C ATOM 1102 C SER B 59 0.515 -21.127 3.243 1.00 0.00 C ATOM 1103 O SER B 59 1.101 -20.091 3.554 1.00 0.00 O ATOM 1104 CB SER B 59 -0.717 -21.977 5.257 1.00 0.00 C ATOM 1105 OG SER B 59 -1.970 -22.010 5.917 1.00 0.00 O ATOM 0 H SER B 59 -1.873 -23.269 3.490 1.00 0.00 H new ATOM 0 HA SER B 59 -1.465 -20.550 3.844 1.00 0.00 H new ATOM 0 HB2 SER B 59 -0.284 -22.977 5.242 1.00 0.00 H new ATOM 0 HB3 SER B 59 -0.028 -21.339 5.810 1.00 0.00 H new ATOM 0 HG SER B 59 -1.850 -22.347 6.829 1.00 0.00 H new ATOM 1111 N ARG B 60 1.029 -22.032 2.406 1.00 0.00 N ATOM 1112 CA ARG B 60 2.333 -21.867 1.784 1.00 0.00 C ATOM 1113 C ARG B 60 2.348 -20.733 0.782 1.00 0.00 C ATOM 1114 O ARG B 60 2.936 -19.681 1.044 1.00 0.00 O ATOM 1115 CB ARG B 60 2.744 -23.165 1.089 1.00 0.00 C ATOM 1116 CG ARG B 60 4.224 -23.490 1.227 1.00 0.00 C ATOM 1117 CD ARG B 60 4.438 -24.931 1.665 1.00 0.00 C ATOM 1118 NE ARG B 60 5.627 -25.081 2.499 1.00 0.00 N ATOM 1119 CZ ARG B 60 5.837 -26.113 3.315 1.00 0.00 C ATOM 1120 NH1 ARG B 60 4.942 -27.091 3.402 1.00 0.00 N ATOM 1121 NH2 ARG B 60 6.944 -26.171 4.041 1.00 0.00 N ATOM 0 H ARG B 60 0.550 -22.894 2.145 1.00 0.00 H new ATOM 0 HA ARG B 60 3.042 -21.622 2.575 1.00 0.00 H new ATOM 0 HB2 ARG B 60 2.160 -23.988 1.501 1.00 0.00 H new ATOM 0 HB3 ARG B 60 2.493 -23.095 0.030 1.00 0.00 H new ATOM 0 HG2 ARG B 60 4.726 -23.319 0.274 1.00 0.00 H new ATOM 0 HG3 ARG B 60 4.680 -22.816 1.953 1.00 0.00 H new ATOM 0 HD2 ARG B 60 3.563 -25.275 2.216 1.00 0.00 H new ATOM 0 HD3 ARG B 60 4.531 -25.567 0.785 1.00 0.00 H new ATOM 0 HE ARG B 60 6.339 -24.352 2.454 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.090 -27.054 2.843 1.00 0.00 H new ATOM 0 HH12 ARG B 60 5.107 -27.879 4.028 1.00 0.00 H new ATOM 0 HH21 ARG B 60 7.637 -25.425 3.975 1.00 0.00 H new ATOM 0 HH22 ARG B 60 7.104 -26.962 4.665 1.00 0.00 H new ATOM 1135 N LEU B 61 1.724 -20.930 -0.378 1.00 0.00 N ATOM 1136 CA LEU B 61 1.734 -19.872 -1.378 1.00 0.00 C ATOM 1137 C LEU B 61 1.041 -18.630 -0.836 1.00 0.00 C ATOM 1138 O LEU B 61 1.337 -17.498 -1.241 1.00 0.00 O ATOM 1139 CB LEU B 61 1.118 -20.343 -2.690 1.00 0.00 C ATOM 1140 CG LEU B 61 2.152 -20.826 -3.709 1.00 0.00 C ATOM 1141 CD1 LEU B 61 2.992 -19.662 -4.206 1.00 0.00 C ATOM 1142 CD2 LEU B 61 3.042 -21.897 -3.097 1.00 0.00 C ATOM 0 H LEU B 61 1.224 -21.779 -0.640 1.00 0.00 H new ATOM 0 HA LEU B 61 2.769 -19.609 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU B 61 0.417 -21.152 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU B 61 0.543 -19.526 -3.126 1.00 0.00 H new ATOM 0 HG LEU B 61 1.623 -21.259 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU B 61 3.722 -20.023 -4.930 1.00 0.00 H new ATOM 0 HD12 LEU B 61 2.346 -18.923 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU B 61 3.511 -19.203 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU B 61 3.772 -22.229 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU B 61 3.563 -21.487 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU B 61 2.430 -22.744 -2.785 1.00 0.00 H new ATOM 1154 N GLU B 62 0.160 -18.850 0.132 1.00 0.00 N ATOM 1155 CA GLU B 62 -0.534 -17.761 0.788 1.00 0.00 C ATOM 1156 C GLU B 62 0.487 -16.931 1.552 1.00 0.00 C ATOM 1157 O GLU B 62 0.407 -15.704 1.590 1.00 0.00 O ATOM 1158 CB GLU B 62 -1.604 -18.303 1.736 1.00 0.00 C ATOM 1159 CG GLU B 62 -2.669 -17.283 2.102 1.00 0.00 C ATOM 1160 CD GLU B 62 -3.702 -17.839 3.062 1.00 0.00 C ATOM 1161 OE1 GLU B 62 -3.306 -18.521 4.032 1.00 0.00 O ATOM 1162 OE2 GLU B 62 -4.906 -17.592 2.846 1.00 0.00 O ATOM 0 H GLU B 62 -0.088 -19.777 0.477 1.00 0.00 H new ATOM 0 HA GLU B 62 -1.034 -17.139 0.045 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.083 -19.166 1.273 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -1.123 -18.657 2.648 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -2.193 -16.411 2.551 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -3.168 -16.942 1.195 1.00 0.00 H new ATOM 1169 N ARG B 63 1.474 -17.620 2.129 1.00 0.00 N ATOM 1170 CA ARG B 63 2.540 -16.952 2.858 1.00 0.00 C ATOM 1171 C ARG B 63 3.540 -16.359 1.871 1.00 0.00 C ATOM 1172 O ARG B 63 4.298 -15.448 2.207 1.00 0.00 O ATOM 1173 CB ARG B 63 3.246 -17.933 3.798 1.00 0.00 C ATOM 1174 CG ARG B 63 4.269 -17.273 4.710 1.00 0.00 C ATOM 1175 CD ARG B 63 3.869 -17.385 6.173 1.00 0.00 C ATOM 1176 NE ARG B 63 5.018 -17.260 7.067 1.00 0.00 N ATOM 1177 CZ ARG B 63 5.885 -18.242 7.302 1.00 0.00 C ATOM 1178 NH1 ARG B 63 5.740 -19.421 6.709 1.00 0.00 N ATOM 1179 NH2 ARG B 63 6.901 -18.045 8.130 1.00 0.00 N ATOM 0 H ARG B 63 1.552 -18.637 2.103 1.00 0.00 H new ATOM 0 HA ARG B 63 2.108 -16.152 3.459 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.499 -18.439 4.410 1.00 0.00 H new ATOM 0 HB3 ARG B 63 3.743 -18.700 3.203 1.00 0.00 H new ATOM 0 HG2 ARG B 63 5.243 -17.739 4.562 1.00 0.00 H new ATOM 0 HG3 ARG B 63 4.374 -16.222 4.440 1.00 0.00 H new ATOM 0 HD2 ARG B 63 3.140 -16.610 6.410 1.00 0.00 H new ATOM 0 HD3 ARG B 63 3.381 -18.345 6.343 1.00 0.00 H new ATOM 0 HE ARG B 63 5.164 -16.368 7.539 1.00 0.00 H new ATOM 0 HH11 ARG B 63 4.961 -19.578 6.069 1.00 0.00 H new ATOM 0 HH12 ARG B 63 6.408 -20.170 6.893 1.00 0.00 H new ATOM 0 HH21 ARG B 63 7.018 -17.141 8.587 1.00 0.00 H new ATOM 0 HH22 ARG B 63 7.565 -18.798 8.310 1.00 0.00 H new ATOM 1193 N LEU B 64 3.528 -16.882 0.643 1.00 0.00 N ATOM 1194 CA LEU B 64 4.422 -16.405 -0.405 1.00 0.00 C ATOM 1195 C LEU B 64 3.952 -15.061 -0.927 1.00 0.00 C ATOM 1196 O LEU B 64 4.751 -14.214 -1.327 1.00 0.00 O ATOM 1197 CB LEU B 64 4.498 -17.426 -1.549 1.00 0.00 C ATOM 1198 CG LEU B 64 4.640 -16.839 -2.960 1.00 0.00 C ATOM 1199 CD1 LEU B 64 5.330 -17.830 -3.885 1.00 0.00 C ATOM 1200 CD2 LEU B 64 3.278 -16.445 -3.515 1.00 0.00 C ATOM 0 H LEU B 64 2.907 -17.637 0.353 1.00 0.00 H new ATOM 0 HA LEU B 64 5.419 -16.284 0.018 1.00 0.00 H new ATOM 0 HB2 LEU B 64 5.344 -18.088 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU B 64 3.599 -18.042 -1.521 1.00 0.00 H new ATOM 0 HG LEU B 64 5.257 -15.942 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU B 64 5.421 -17.396 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU B 64 6.322 -18.060 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU B 64 4.741 -18.746 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU B 64 3.399 -16.031 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU B 64 2.636 -17.324 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU B 64 2.823 -15.697 -2.866 1.00 0.00 H new ATOM 1212 N GLU B 65 2.648 -14.878 -0.907 1.00 0.00 N ATOM 1213 CA GLU B 65 2.044 -13.635 -1.367 1.00 0.00 C ATOM 1214 C GLU B 65 1.852 -12.667 -0.206 1.00 0.00 C ATOM 1215 O GLU B 65 1.788 -11.452 -0.402 1.00 0.00 O ATOM 1216 CB GLU B 65 0.708 -13.914 -2.052 1.00 0.00 C ATOM 1217 CG GLU B 65 0.807 -13.983 -3.568 1.00 0.00 C ATOM 1218 CD GLU B 65 0.668 -12.622 -4.224 1.00 0.00 C ATOM 1219 OE1 GLU B 65 0.178 -11.688 -3.555 1.00 0.00 O ATOM 1220 OE2 GLU B 65 1.049 -12.492 -5.406 1.00 0.00 O ATOM 0 H GLU B 65 1.980 -15.574 -0.577 1.00 0.00 H new ATOM 0 HA GLU B 65 2.717 -13.175 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU B 65 0.307 -14.856 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU B 65 -0.002 -13.134 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU B 65 1.766 -14.420 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU B 65 0.031 -14.647 -3.949 1.00 0.00 H new ATOM 1227 N GLN B 66 1.775 -13.207 1.009 1.00 0.00 N ATOM 1228 CA GLN B 66 1.604 -12.384 2.201 1.00 0.00 C ATOM 1229 C GLN B 66 2.753 -11.390 2.327 1.00 0.00 C ATOM 1230 O GLN B 66 2.553 -10.236 2.705 1.00 0.00 O ATOM 1231 CB GLN B 66 1.535 -13.266 3.451 1.00 0.00 C ATOM 1232 CG GLN B 66 0.119 -13.607 3.881 1.00 0.00 C ATOM 1233 CD GLN B 66 0.008 -13.855 5.373 1.00 0.00 C ATOM 1234 OE1 GLN B 66 0.762 -14.645 5.940 1.00 0.00 O ATOM 1235 NE2 GLN B 66 -0.939 -13.182 6.017 1.00 0.00 N ATOM 0 H GLN B 66 1.828 -14.209 1.192 1.00 0.00 H new ATOM 0 HA GLN B 66 0.669 -11.831 2.109 1.00 0.00 H new ATOM 0 HB2 GLN B 66 2.081 -14.191 3.263 1.00 0.00 H new ATOM 0 HB3 GLN B 66 2.042 -12.758 4.271 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -0.548 -12.792 3.601 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -0.217 -14.493 3.343 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.542 -12.537 5.507 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.063 -13.311 7.021 1.00 0.00 H new ATOM 1244 N LEU B 67 3.957 -11.850 1.999 1.00 0.00 N ATOM 1245 CA LEU B 67 5.144 -11.008 2.064 1.00 0.00 C ATOM 1246 C LEU B 67 5.196 -10.041 0.881 1.00 0.00 C ATOM 1247 O LEU B 67 6.003 -9.112 0.867 1.00 0.00 O ATOM 1248 CB LEU B 67 6.406 -11.873 2.085 1.00 0.00 C ATOM 1249 CG LEU B 67 7.721 -11.099 2.200 1.00 0.00 C ATOM 1250 CD1 LEU B 67 8.732 -11.885 3.021 1.00 0.00 C ATOM 1251 CD2 LEU B 67 8.279 -10.794 0.817 1.00 0.00 C ATOM 0 H LEU B 67 4.135 -12.804 1.685 1.00 0.00 H new ATOM 0 HA LEU B 67 5.094 -10.424 2.983 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.337 -12.568 2.921 1.00 0.00 H new ATOM 0 HB3 LEU B 67 6.433 -12.471 1.174 1.00 0.00 H new ATOM 0 HG LEU B 67 7.524 -10.156 2.709 1.00 0.00 H new ATOM 0 HD11 LEU B 67 9.661 -11.320 3.092 1.00 0.00 H new ATOM 0 HD12 LEU B 67 8.334 -12.057 4.021 1.00 0.00 H new ATOM 0 HD13 LEU B 67 8.926 -12.843 2.539 1.00 0.00 H new ATOM 0 HD21 LEU B 67 9.214 -10.243 0.915 1.00 0.00 H new ATOM 0 HD22 LEU B 67 8.462 -11.727 0.284 1.00 0.00 H new ATOM 0 HD23 LEU B 67 7.561 -10.193 0.259 1.00 0.00 H new ATOM 1263 N PHE B 68 4.329 -10.266 -0.109 1.00 0.00 N ATOM 1264 CA PHE B 68 4.272 -9.416 -1.298 1.00 0.00 C ATOM 1265 C PHE B 68 5.423 -9.722 -2.251 1.00 0.00 C ATOM 1266 O PHE B 68 6.582 -9.789 -1.841 1.00 0.00 O ATOM 1267 CB PHE B 68 4.296 -7.933 -0.912 1.00 0.00 C ATOM 1268 CG PHE B 68 3.908 -7.016 -2.037 1.00 0.00 C ATOM 1269 CD1 PHE B 68 2.622 -7.032 -2.551 1.00 0.00 C ATOM 1270 CD2 PHE B 68 4.833 -6.137 -2.580 1.00 0.00 C ATOM 1271 CE1 PHE B 68 2.264 -6.190 -3.586 1.00 0.00 C ATOM 1272 CE2 PHE B 68 4.479 -5.291 -3.615 1.00 0.00 C ATOM 1273 CZ PHE B 68 3.193 -5.317 -4.118 1.00 0.00 C ATOM 0 H PHE B 68 3.656 -11.032 -0.109 1.00 0.00 H new ATOM 0 HA PHE B 68 3.333 -9.632 -1.808 1.00 0.00 H new ATOM 0 HB2 PHE B 68 3.619 -7.773 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE B 68 5.297 -7.671 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE B 68 1.891 -7.711 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE B 68 5.840 -6.113 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE B 68 1.258 -6.214 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE B 68 5.208 -4.610 -4.030 1.00 0.00 H new ATOM 0 HZ PHE B 68 2.914 -4.656 -4.926 1.00 0.00 H new ATOM 1283 N LEU B 69 5.091 -9.906 -3.524 1.00 0.00 N ATOM 1284 CA LEU B 69 6.092 -10.203 -4.543 1.00 0.00 C ATOM 1285 C LEU B 69 5.711 -9.565 -5.875 1.00 0.00 C ATOM 1286 O LEU B 69 5.517 -10.257 -6.875 1.00 0.00 O ATOM 1287 CB LEU B 69 6.246 -11.716 -4.710 1.00 0.00 C ATOM 1288 CG LEU B 69 6.881 -12.438 -3.522 1.00 0.00 C ATOM 1289 CD1 LEU B 69 6.906 -13.939 -3.763 1.00 0.00 C ATOM 1290 CD2 LEU B 69 8.286 -11.912 -3.269 1.00 0.00 C ATOM 0 H LEU B 69 4.135 -9.855 -3.876 1.00 0.00 H new ATOM 0 HA LEU B 69 7.045 -9.784 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.262 -12.148 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.849 -11.908 -5.597 1.00 0.00 H new ATOM 0 HG LEU B 69 6.277 -12.243 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.361 -14.437 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.887 -14.303 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.487 -14.154 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.724 -12.437 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.901 -12.077 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU B 69 8.241 -10.845 -3.052 1.00 0.00 H new ATOM 1302 N LEU B 70 5.610 -8.240 -5.881 1.00 0.00 N ATOM 1303 CA LEU B 70 5.257 -7.502 -7.088 1.00 0.00 C ATOM 1304 C LEU B 70 3.954 -8.028 -7.695 1.00 0.00 C ATOM 1305 O LEU B 70 3.896 -8.354 -8.881 1.00 0.00 O ATOM 1306 CB LEU B 70 6.400 -7.594 -8.101 1.00 0.00 C ATOM 1307 CG LEU B 70 7.053 -6.258 -8.456 1.00 0.00 C ATOM 1308 CD1 LEU B 70 8.424 -6.481 -9.074 1.00 0.00 C ATOM 1309 CD2 LEU B 70 6.163 -5.464 -9.401 1.00 0.00 C ATOM 0 H LEU B 70 5.768 -7.654 -5.061 1.00 0.00 H new ATOM 0 HA LEU B 70 5.099 -6.457 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU B 70 7.165 -8.262 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU B 70 6.020 -8.051 -9.015 1.00 0.00 H new ATOM 0 HG LEU B 70 7.180 -5.683 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU B 70 8.873 -5.519 -9.320 1.00 0.00 H new ATOM 0 HD12 LEU B 70 9.062 -7.008 -8.364 1.00 0.00 H new ATOM 0 HD13 LEU B 70 8.322 -7.076 -9.981 1.00 0.00 H new ATOM 0 HD21 LEU B 70 6.644 -4.516 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU B 70 6.004 -6.034 -10.316 1.00 0.00 H new ATOM 0 HD23 LEU B 70 5.203 -5.272 -8.922 1.00 0.00 H new ATOM 1321 N ILE B 71 2.911 -8.104 -6.874 1.00 0.00 N ATOM 1322 CA ILE B 71 1.615 -8.585 -7.335 1.00 0.00 C ATOM 1323 C ILE B 71 0.671 -7.425 -7.640 1.00 0.00 C ATOM 1324 O ILE B 71 -0.060 -7.452 -8.631 1.00 0.00 O ATOM 1325 CB ILE B 71 0.951 -9.517 -6.298 1.00 0.00 C ATOM 1326 CG1 ILE B 71 -0.374 -10.066 -6.838 1.00 0.00 C ATOM 1327 CG2 ILE B 71 0.727 -8.783 -4.984 1.00 0.00 C ATOM 1328 CD1 ILE B 71 -0.243 -10.758 -8.178 1.00 0.00 C ATOM 0 H ILE B 71 2.938 -7.839 -5.889 1.00 0.00 H new ATOM 0 HA ILE B 71 1.800 -9.149 -8.249 1.00 0.00 H new ATOM 0 HB ILE B 71 1.622 -10.356 -6.113 1.00 0.00 H new ATOM 0 HG12 ILE B 71 -0.788 -10.769 -6.115 1.00 0.00 H new ATOM 0 HG13 ILE B 71 -1.087 -9.246 -6.930 1.00 0.00 H new ATOM 0 HG21 ILE B 71 0.258 -9.456 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE B 71 1.684 -8.442 -4.590 1.00 0.00 H new ATOM 0 HG23 ILE B 71 0.078 -7.924 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE B 71 -1.220 -11.121 -8.497 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.141 -10.053 -8.915 1.00 0.00 H new ATOM 0 HD13 ILE B 71 0.444 -11.599 -8.087 1.00 0.00 H new ATOM 1340 N PHE B 72 0.691 -6.409 -6.783 1.00 0.00 N ATOM 1341 CA PHE B 72 -0.165 -5.242 -6.965 1.00 0.00 C ATOM 1342 C PHE B 72 0.410 -4.304 -8.026 1.00 0.00 C ATOM 1343 O PHE B 72 1.470 -3.708 -7.827 1.00 0.00 O ATOM 1344 CB PHE B 72 -0.327 -4.493 -5.642 1.00 0.00 C ATOM 1345 CG PHE B 72 -1.666 -3.828 -5.489 1.00 0.00 C ATOM 1346 CD1 PHE B 72 -1.865 -2.532 -5.934 1.00 0.00 C ATOM 1347 CD2 PHE B 72 -2.724 -4.502 -4.901 1.00 0.00 C ATOM 1348 CE1 PHE B 72 -3.097 -1.919 -5.794 1.00 0.00 C ATOM 1349 CE2 PHE B 72 -3.957 -3.894 -4.758 1.00 0.00 C ATOM 1350 CZ PHE B 72 -4.143 -2.601 -5.206 1.00 0.00 C ATOM 0 H PHE B 72 1.289 -6.370 -5.958 1.00 0.00 H new ATOM 0 HA PHE B 72 -1.142 -5.588 -7.302 1.00 0.00 H new ATOM 0 HB2 PHE B 72 -0.181 -5.192 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE B 72 0.456 -3.738 -5.563 1.00 0.00 H new ATOM 0 HD1 PHE B 72 -1.050 -1.994 -6.395 1.00 0.00 H new ATOM 0 HD2 PHE B 72 -2.584 -5.514 -4.550 1.00 0.00 H new ATOM 0 HE1 PHE B 72 -3.240 -0.908 -6.144 1.00 0.00 H new ATOM 0 HE2 PHE B 72 -4.774 -4.429 -4.297 1.00 0.00 H new ATOM 0 HZ PHE B 72 -5.106 -2.124 -5.096 1.00 0.00 H new ATOM 1360 N PRO B 73 -0.281 -4.154 -9.172 1.00 0.00 N ATOM 1361 CA PRO B 73 0.176 -3.279 -10.257 1.00 0.00 C ATOM 1362 C PRO B 73 0.448 -1.857 -9.777 1.00 0.00 C ATOM 1363 O PRO B 73 -0.353 -1.274 -9.046 1.00 0.00 O ATOM 1364 CB PRO B 73 -0.992 -3.294 -11.247 1.00 0.00 C ATOM 1365 CG PRO B 73 -1.705 -4.572 -10.975 1.00 0.00 C ATOM 1366 CD PRO B 73 -1.555 -4.820 -9.500 1.00 0.00 C ATOM 0 HA PRO B 73 1.118 -3.622 -10.686 1.00 0.00 H new ATOM 0 HB2 PRO B 73 -1.648 -2.436 -11.098 1.00 0.00 H new ATOM 0 HB3 PRO B 73 -0.638 -3.250 -12.277 1.00 0.00 H new ATOM 0 HG2 PRO B 73 -2.756 -4.500 -11.254 1.00 0.00 H new ATOM 0 HG3 PRO B 73 -1.276 -5.390 -11.554 1.00 0.00 H new ATOM 0 HD2 PRO B 73 -2.386 -4.399 -8.935 1.00 0.00 H new ATOM 0 HD3 PRO B 73 -1.522 -5.885 -9.272 1.00 0.00 H new ATOM 1374 N ARG B 74 1.583 -1.305 -10.194 1.00 0.00 N ATOM 1375 CA ARG B 74 1.959 0.050 -9.807 1.00 0.00 C ATOM 1376 C ARG B 74 2.921 0.656 -10.823 1.00 0.00 C ATOM 1377 O ARG B 74 4.139 0.560 -10.677 1.00 0.00 O ATOM 1378 CB ARG B 74 2.595 0.050 -8.416 1.00 0.00 C ATOM 1379 CG ARG B 74 1.591 0.225 -7.289 1.00 0.00 C ATOM 1380 CD ARG B 74 2.282 0.539 -5.971 1.00 0.00 C ATOM 1381 NE ARG B 74 2.421 -0.647 -5.130 1.00 0.00 N ATOM 1382 CZ ARG B 74 3.237 -0.721 -4.081 1.00 0.00 C ATOM 1383 NH1 ARG B 74 3.987 0.321 -3.741 1.00 0.00 N ATOM 1384 NH2 ARG B 74 3.302 -1.836 -3.368 1.00 0.00 N ATOM 0 H ARG B 74 2.257 -1.774 -10.799 1.00 0.00 H new ATOM 0 HA ARG B 74 1.055 0.659 -9.782 1.00 0.00 H new ATOM 0 HB2 ARG B 74 3.132 -0.887 -8.271 1.00 0.00 H new ATOM 0 HB3 ARG B 74 3.332 0.851 -8.363 1.00 0.00 H new ATOM 0 HG2 ARG B 74 0.899 1.029 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG B 74 0.999 -0.684 -7.183 1.00 0.00 H new ATOM 0 HD2 ARG B 74 3.268 0.960 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG B 74 1.713 1.299 -5.435 1.00 0.00 H new ATOM 0 HE ARG B 74 1.860 -1.467 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG B 74 3.939 1.183 -4.285 1.00 0.00 H new ATOM 0 HH12 ARG B 74 4.611 0.259 -2.936 1.00 0.00 H new ATOM 0 HH21 ARG B 74 2.726 -2.639 -3.623 1.00 0.00 H new ATOM 0 HH22 ARG B 74 3.928 -1.892 -2.564 1.00 0.00 H new ATOM 1398 N GLU B 75 2.360 1.283 -11.850 1.00 0.00 N ATOM 1399 CA GLU B 75 3.155 1.912 -12.897 1.00 0.00 C ATOM 1400 C GLU B 75 2.300 2.879 -13.707 1.00 0.00 C ATOM 1401 O GLU B 75 1.512 2.462 -14.557 1.00 0.00 O ATOM 1402 CB GLU B 75 3.760 0.849 -13.818 1.00 0.00 C ATOM 1403 CG GLU B 75 2.724 -0.063 -14.455 1.00 0.00 C ATOM 1404 CD GLU B 75 3.060 -1.533 -14.289 1.00 0.00 C ATOM 1405 OE1 GLU B 75 3.700 -1.885 -13.275 1.00 0.00 O ATOM 1406 OE2 GLU B 75 2.681 -2.331 -15.172 1.00 0.00 O ATOM 0 H GLU B 75 1.352 1.369 -11.980 1.00 0.00 H new ATOM 0 HA GLU B 75 3.964 2.470 -12.426 1.00 0.00 H new ATOM 0 HB2 GLU B 75 4.330 1.343 -14.605 1.00 0.00 H new ATOM 0 HB3 GLU B 75 4.464 0.243 -13.247 1.00 0.00 H new ATOM 0 HG2 GLU B 75 1.749 0.135 -14.011 1.00 0.00 H new ATOM 0 HG3 GLU B 75 2.644 0.170 -15.517 1.00 0.00 H new ATOM 1413 N ASP B 76 2.453 4.171 -13.433 1.00 0.00 N ATOM 1414 CA ASP B 76 1.686 5.195 -14.131 1.00 0.00 C ATOM 1415 C ASP B 76 0.205 5.083 -13.782 1.00 0.00 C ATOM 1416 O ASP B 76 -0.391 4.012 -13.902 1.00 0.00 O ATOM 1417 CB ASP B 76 1.878 5.073 -15.645 1.00 0.00 C ATOM 1418 CG ASP B 76 1.914 6.423 -16.334 1.00 0.00 C ATOM 1419 OD1 ASP B 76 1.107 7.300 -15.962 1.00 0.00 O ATOM 1420 OD2 ASP B 76 2.750 6.602 -17.244 1.00 0.00 O ATOM 0 H ASP B 76 3.101 4.533 -12.733 1.00 0.00 H new ATOM 0 HA ASP B 76 2.050 6.171 -13.810 1.00 0.00 H new ATOM 0 HB2 ASP B 76 2.806 4.539 -15.849 1.00 0.00 H new ATOM 0 HB3 ASP B 76 1.068 4.476 -16.064 1.00 0.00 H new ATOM 1425 N LEU B 77 -0.382 6.191 -13.345 1.00 0.00 N ATOM 1426 CA LEU B 77 -1.793 6.216 -12.971 1.00 0.00 C ATOM 1427 C LEU B 77 -2.046 5.323 -11.759 1.00 0.00 C ATOM 1428 O LEU B 77 -2.684 4.275 -11.865 1.00 0.00 O ATOM 1429 CB LEU B 77 -2.667 5.772 -14.148 1.00 0.00 C ATOM 1430 CG LEU B 77 -3.292 6.910 -14.955 1.00 0.00 C ATOM 1431 CD1 LEU B 77 -4.341 7.638 -14.127 1.00 0.00 C ATOM 1432 CD2 LEU B 77 -2.219 7.878 -15.429 1.00 0.00 C ATOM 0 H LEU B 77 0.097 7.085 -13.240 1.00 0.00 H new ATOM 0 HA LEU B 77 -2.057 7.240 -12.706 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -2.063 5.160 -14.819 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -3.466 5.135 -13.768 1.00 0.00 H new ATOM 0 HG LEU B 77 -3.781 6.483 -15.831 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -4.775 8.445 -14.718 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -5.125 6.939 -13.836 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -3.875 8.053 -13.233 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -2.681 8.682 -16.002 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.701 8.298 -14.567 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -1.504 7.349 -16.059 1.00 0.00 H new ATOM 1444 N ASP B 78 -1.542 5.750 -10.606 1.00 0.00 N ATOM 1445 CA ASP B 78 -1.711 4.997 -9.366 1.00 0.00 C ATOM 1446 C ASP B 78 -3.150 5.087 -8.875 1.00 0.00 C ATOM 1447 O ASP B 78 -3.534 6.057 -8.223 1.00 0.00 O ATOM 1448 CB ASP B 78 -0.758 5.526 -8.295 1.00 0.00 C ATOM 1449 CG ASP B 78 0.698 5.352 -8.677 1.00 0.00 C ATOM 1450 OD1 ASP B 78 1.263 4.273 -8.395 1.00 0.00 O ATOM 1451 OD2 ASP B 78 1.277 6.296 -9.259 1.00 0.00 O ATOM 0 H ASP B 78 -1.012 6.615 -10.503 1.00 0.00 H new ATOM 0 HA ASP B 78 -1.478 3.951 -9.564 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -0.961 6.583 -8.122 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -0.948 5.007 -7.355 1.00 0.00 H new ATOM 1456 N MET B 79 -3.942 4.069 -9.192 1.00 0.00 N ATOM 1457 CA MET B 79 -5.341 4.032 -8.782 1.00 0.00 C ATOM 1458 C MET B 79 -5.463 4.008 -7.261 1.00 0.00 C ATOM 1459 O MET B 79 -6.475 4.436 -6.703 1.00 0.00 O ATOM 1460 CB MET B 79 -6.036 2.808 -9.380 1.00 0.00 C ATOM 1461 CG MET B 79 -6.480 3.003 -10.821 1.00 0.00 C ATOM 1462 SD MET B 79 -7.710 1.791 -11.339 1.00 0.00 S ATOM 1463 CE MET B 79 -8.153 2.429 -12.953 1.00 0.00 C ATOM 0 H MET B 79 -3.639 3.258 -9.732 1.00 0.00 H new ATOM 0 HA MET B 79 -5.826 4.935 -9.153 1.00 0.00 H new ATOM 0 HB2 MET B 79 -5.359 1.955 -9.330 1.00 0.00 H new ATOM 0 HB3 MET B 79 -6.906 2.561 -8.771 1.00 0.00 H new ATOM 0 HG2 MET B 79 -6.892 4.005 -10.938 1.00 0.00 H new ATOM 0 HG3 MET B 79 -5.612 2.937 -11.477 1.00 0.00 H new ATOM 0 HE1 MET B 79 -8.908 1.785 -13.404 1.00 0.00 H new ATOM 0 HE2 MET B 79 -8.552 3.438 -12.848 1.00 0.00 H new ATOM 0 HE3 MET B 79 -7.269 2.453 -13.590 1.00 0.00 H new ATOM 1473 N ILE B 80 -4.429 3.505 -6.594 1.00 0.00 N ATOM 1474 CA ILE B 80 -4.421 3.422 -5.139 1.00 0.00 C ATOM 1475 C ILE B 80 -4.533 4.805 -4.503 1.00 0.00 C ATOM 1476 O ILE B 80 -5.429 5.055 -3.698 1.00 0.00 O ATOM 1477 CB ILE B 80 -3.143 2.737 -4.621 1.00 0.00 C ATOM 1478 CG1 ILE B 80 -2.886 1.435 -5.386 1.00 0.00 C ATOM 1479 CG2 ILE B 80 -3.254 2.469 -3.127 1.00 0.00 C ATOM 1480 CD1 ILE B 80 -1.750 1.533 -6.380 1.00 0.00 C ATOM 0 H ILE B 80 -3.584 3.148 -7.040 1.00 0.00 H new ATOM 0 HA ILE B 80 -5.287 2.824 -4.856 1.00 0.00 H new ATOM 0 HB ILE B 80 -2.298 3.405 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -2.666 0.641 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -3.796 1.147 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -2.343 1.984 -2.776 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -3.391 3.412 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -4.108 1.818 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -1.625 0.575 -6.885 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -1.976 2.304 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -0.829 1.790 -5.856 1.00 0.00 H new ATOM 1492 N LEU B 81 -3.617 5.697 -4.868 1.00 0.00 N ATOM 1493 CA LEU B 81 -3.619 7.053 -4.324 1.00 0.00 C ATOM 1494 C LEU B 81 -4.615 7.948 -5.057 1.00 0.00 C ATOM 1495 O LEU B 81 -4.973 9.020 -4.570 1.00 0.00 O ATOM 1496 CB LEU B 81 -2.216 7.664 -4.400 1.00 0.00 C ATOM 1497 CG LEU B 81 -1.484 7.455 -5.730 1.00 0.00 C ATOM 1498 CD1 LEU B 81 -1.059 8.789 -6.322 1.00 0.00 C ATOM 1499 CD2 LEU B 81 -0.277 6.548 -5.535 1.00 0.00 C ATOM 0 H LEU B 81 -2.868 5.508 -5.534 1.00 0.00 H new ATOM 0 HA LEU B 81 -3.925 6.987 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -2.293 8.735 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -1.609 7.241 -3.599 1.00 0.00 H new ATOM 0 HG LEU B 81 -2.169 6.974 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -0.541 8.620 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -1.940 9.406 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -0.391 9.299 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU B 81 0.232 6.410 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU B 81 0.409 7.003 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -0.606 5.581 -5.156 1.00 0.00 H new ATOM 1511 N LYS B 82 -5.069 7.503 -6.224 1.00 0.00 N ATOM 1512 CA LYS B 82 -6.029 8.268 -7.012 1.00 0.00 C ATOM 1513 C LYS B 82 -7.445 8.072 -6.478 1.00 0.00 C ATOM 1514 O LYS B 82 -8.307 8.935 -6.646 1.00 0.00 O ATOM 1515 CB LYS B 82 -5.963 7.854 -8.482 1.00 0.00 C ATOM 1516 CG LYS B 82 -4.833 8.520 -9.251 1.00 0.00 C ATOM 1517 CD LYS B 82 -5.345 9.239 -10.491 1.00 0.00 C ATOM 1518 CE LYS B 82 -4.473 10.435 -10.841 1.00 0.00 C ATOM 1519 NZ LYS B 82 -5.285 11.650 -11.123 1.00 0.00 N ATOM 0 H LYS B 82 -4.788 6.617 -6.645 1.00 0.00 H new ATOM 0 HA LYS B 82 -5.770 9.324 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS B 82 -5.844 6.772 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS B 82 -6.911 8.097 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS B 82 -4.321 9.231 -8.603 1.00 0.00 H new ATOM 0 HG3 LYS B 82 -4.099 7.769 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS B 82 -5.368 8.546 -11.332 1.00 0.00 H new ATOM 0 HD3 LYS B 82 -6.370 9.571 -10.324 1.00 0.00 H new ATOM 0 HE2 LYS B 82 -3.789 10.639 -10.017 1.00 0.00 H new ATOM 0 HE3 LYS B 82 -3.862 10.197 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 -4.654 12.443 -11.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 -5.920 11.464 -11.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 -5.849 11.893 -10.284 1.00 0.00 H new ATOM 1533 N MET B 83 -7.675 6.934 -5.831 1.00 0.00 N ATOM 1534 CA MET B 83 -8.984 6.625 -5.269 1.00 0.00 C ATOM 1535 C MET B 83 -8.974 6.773 -3.750 1.00 0.00 C ATOM 1536 O MET B 83 -10.020 6.974 -3.132 1.00 0.00 O ATOM 1537 CB MET B 83 -9.405 5.205 -5.653 1.00 0.00 C ATOM 1538 CG MET B 83 -10.187 5.133 -6.953 1.00 0.00 C ATOM 1539 SD MET B 83 -10.811 3.478 -7.299 1.00 0.00 S ATOM 1540 CE MET B 83 -9.362 2.712 -8.022 1.00 0.00 C ATOM 0 H MET B 83 -6.971 6.211 -5.683 1.00 0.00 H new ATOM 0 HA MET B 83 -9.704 7.333 -5.679 1.00 0.00 H new ATOM 0 HB2 MET B 83 -8.515 4.582 -5.739 1.00 0.00 H new ATOM 0 HB3 MET B 83 -10.011 4.785 -4.850 1.00 0.00 H new ATOM 0 HG2 MET B 83 -11.024 5.830 -6.908 1.00 0.00 H new ATOM 0 HG3 MET B 83 -9.548 5.455 -7.775 1.00 0.00 H new ATOM 0 HE1 MET B 83 -9.620 1.718 -8.386 1.00 0.00 H new ATOM 0 HE2 MET B 83 -9.004 3.321 -8.852 1.00 0.00 H new ATOM 0 HE3 MET B 83 -8.579 2.631 -7.268 1.00 0.00 H new ATOM 1550 N ASP B 84 -7.789 6.677 -3.154 1.00 0.00 N ATOM 1551 CA ASP B 84 -7.648 6.804 -1.708 1.00 0.00 C ATOM 1552 C ASP B 84 -7.879 8.246 -1.268 1.00 0.00 C ATOM 1553 O ASP B 84 -8.873 8.553 -0.610 1.00 0.00 O ATOM 1554 CB ASP B 84 -6.262 6.337 -1.264 1.00 0.00 C ATOM 1555 CG ASP B 84 -6.090 6.385 0.241 1.00 0.00 C ATOM 1556 OD1 ASP B 84 -6.784 5.621 0.943 1.00 0.00 O ATOM 1557 OD2 ASP B 84 -5.259 7.188 0.719 1.00 0.00 O ATOM 0 H ASP B 84 -6.913 6.512 -3.650 1.00 0.00 H new ATOM 0 HA ASP B 84 -8.401 6.172 -1.237 1.00 0.00 H new ATOM 0 HB2 ASP B 84 -6.096 5.318 -1.613 1.00 0.00 H new ATOM 0 HB3 ASP B 84 -5.503 6.963 -1.734 1.00 0.00 H new ATOM 1562 N SER B 85 -6.954 9.127 -1.638 1.00 0.00 N ATOM 1563 CA SER B 85 -7.062 10.538 -1.284 1.00 0.00 C ATOM 1564 C SER B 85 -6.444 11.422 -2.369 1.00 0.00 C ATOM 1565 O SER B 85 -7.121 11.797 -3.326 1.00 0.00 O ATOM 1566 CB SER B 85 -6.391 10.800 0.069 1.00 0.00 C ATOM 1567 OG SER B 85 -5.171 10.088 0.180 1.00 0.00 O ATOM 0 H SER B 85 -6.124 8.889 -2.181 1.00 0.00 H new ATOM 0 HA SER B 85 -8.119 10.790 -1.204 1.00 0.00 H new ATOM 0 HB2 SER B 85 -6.204 11.868 0.185 1.00 0.00 H new ATOM 0 HB3 SER B 85 -7.063 10.504 0.875 1.00 0.00 H new ATOM 0 HG SER B 85 -5.359 9.140 0.344 1.00 0.00 H new ATOM 1573 N LEU B 86 -5.159 11.750 -2.221 1.00 0.00 N ATOM 1574 CA LEU B 86 -4.459 12.588 -3.195 1.00 0.00 C ATOM 1575 C LEU B 86 -5.305 13.793 -3.602 1.00 0.00 C ATOM 1576 O LEU B 86 -5.196 14.290 -4.724 1.00 0.00 O ATOM 1577 CB LEU B 86 -4.095 11.767 -4.433 1.00 0.00 C ATOM 1578 CG LEU B 86 -3.056 12.411 -5.355 1.00 0.00 C ATOM 1579 CD1 LEU B 86 -1.649 12.145 -4.844 1.00 0.00 C ATOM 1580 CD2 LEU B 86 -3.214 11.894 -6.777 1.00 0.00 C ATOM 0 H LEU B 86 -4.582 11.448 -1.436 1.00 0.00 H new ATOM 0 HA LEU B 86 -3.547 12.956 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -3.719 10.797 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -5.003 11.582 -5.007 1.00 0.00 H new ATOM 0 HG LEU B 86 -3.221 13.488 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -0.925 12.611 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -1.540 12.563 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -1.472 11.070 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -2.468 12.362 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -3.076 10.813 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -4.211 12.136 -7.144 1.00 0.00 H new ATOM 1592 N ARG B 87 -6.151 14.256 -2.685 1.00 0.00 N ATOM 1593 CA ARG B 87 -7.016 15.401 -2.955 1.00 0.00 C ATOM 1594 C ARG B 87 -6.922 16.444 -1.844 1.00 0.00 C ATOM 1595 O ARG B 87 -7.029 17.639 -2.102 1.00 0.00 O ATOM 1596 CB ARG B 87 -8.468 14.941 -3.116 1.00 0.00 C ATOM 1597 CG ARG B 87 -8.846 14.617 -4.553 1.00 0.00 C ATOM 1598 CD ARG B 87 -8.774 15.849 -5.442 1.00 0.00 C ATOM 1599 NE ARG B 87 -7.803 15.690 -6.523 1.00 0.00 N ATOM 1600 CZ ARG B 87 -8.047 15.017 -7.645 1.00 0.00 C ATOM 1601 NH1 ARG B 87 -9.225 14.437 -7.836 1.00 0.00 N ATOM 1602 NH2 ARG B 87 -7.109 14.925 -8.578 1.00 0.00 N ATOM 0 H ARG B 87 -6.256 13.858 -1.752 1.00 0.00 H new ATOM 0 HA ARG B 87 -6.678 15.862 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG B 87 -8.632 14.058 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG B 87 -9.131 15.720 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG B 87 -8.178 13.848 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG B 87 -9.855 14.206 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG B 87 -9.758 16.048 -5.866 1.00 0.00 H new ATOM 0 HD3 ARG B 87 -8.505 16.716 -4.838 1.00 0.00 H new ATOM 0 HE ARG B 87 -6.885 16.120 -6.411 1.00 0.00 H new ATOM 0 HH11 ARG B 87 -9.949 14.506 -7.121 1.00 0.00 H new ATOM 0 HH12 ARG B 87 -9.406 13.923 -8.698 1.00 0.00 H new ATOM 0 HH21 ARG B 87 -6.202 15.370 -8.435 1.00 0.00 H new ATOM 0 HH22 ARG B 87 -7.294 14.410 -9.438 1.00 0.00 H new ATOM 1616 N ASP B 88 -6.719 15.992 -0.611 1.00 0.00 N ATOM 1617 CA ASP B 88 -6.608 16.903 0.525 1.00 0.00 C ATOM 1618 C ASP B 88 -5.310 17.711 0.466 1.00 0.00 C ATOM 1619 O ASP B 88 -5.131 18.673 1.216 1.00 0.00 O ATOM 1620 CB ASP B 88 -6.673 16.121 1.839 1.00 0.00 C ATOM 1621 CG ASP B 88 -8.096 15.916 2.320 1.00 0.00 C ATOM 1622 OD1 ASP B 88 -9.015 15.913 1.475 1.00 0.00 O ATOM 1623 OD2 ASP B 88 -8.291 15.758 3.543 1.00 0.00 O ATOM 0 H ASP B 88 -6.628 15.005 -0.372 1.00 0.00 H new ATOM 0 HA ASP B 88 -7.445 17.599 0.477 1.00 0.00 H new ATOM 0 HB2 ASP B 88 -6.194 15.151 1.705 1.00 0.00 H new ATOM 0 HB3 ASP B 88 -6.107 16.653 2.604 1.00 0.00 H new ATOM 1628 N ILE B 89 -4.416 17.325 -0.444 1.00 0.00 N ATOM 1629 CA ILE B 89 -3.145 18.015 -0.619 1.00 0.00 C ATOM 1630 C ILE B 89 -3.314 19.145 -1.611 1.00 0.00 C ATOM 1631 O ILE B 89 -3.019 20.300 -1.313 1.00 0.00 O ATOM 1632 CB ILE B 89 -2.042 17.061 -1.117 1.00 0.00 C ATOM 1633 CG1 ILE B 89 -2.053 15.766 -0.310 1.00 0.00 C ATOM 1634 CG2 ILE B 89 -0.680 17.733 -1.033 1.00 0.00 C ATOM 1635 CD1 ILE B 89 -1.751 15.978 1.150 1.00 0.00 C ATOM 0 H ILE B 89 -4.553 16.534 -1.073 1.00 0.00 H new ATOM 0 HA ILE B 89 -2.841 18.406 0.352 1.00 0.00 H new ATOM 0 HB ILE B 89 -2.240 16.817 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -3.030 15.292 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -1.321 15.077 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE B 89 0.087 17.045 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -0.678 18.630 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -0.472 18.006 0.002 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -1.774 15.020 1.669 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -0.762 16.425 1.256 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -2.498 16.643 1.583 1.00 0.00 H new ATOM 1647 N GLU B 90 -3.833 18.803 -2.785 1.00 0.00 N ATOM 1648 CA GLU B 90 -4.092 19.791 -3.816 1.00 0.00 C ATOM 1649 C GLU B 90 -5.217 20.714 -3.355 1.00 0.00 C ATOM 1650 O GLU B 90 -5.409 21.802 -3.894 1.00 0.00 O ATOM 1651 CB GLU B 90 -4.475 19.103 -5.127 1.00 0.00 C ATOM 1652 CG GLU B 90 -4.855 20.069 -6.238 1.00 0.00 C ATOM 1653 CD GLU B 90 -5.367 19.361 -7.477 1.00 0.00 C ATOM 1654 OE1 GLU B 90 -4.602 18.571 -8.069 1.00 0.00 O ATOM 1655 OE2 GLU B 90 -6.534 19.598 -7.857 1.00 0.00 O ATOM 0 H GLU B 90 -4.081 17.848 -3.043 1.00 0.00 H new ATOM 0 HA GLU B 90 -3.190 20.378 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -3.639 18.489 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -5.312 18.429 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -5.621 20.754 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -3.987 20.673 -6.502 1.00 0.00 H new ATOM 1662 N ALA B 91 -5.951 20.259 -2.338 1.00 0.00 N ATOM 1663 CA ALA B 91 -7.055 21.021 -1.774 1.00 0.00 C ATOM 1664 C ALA B 91 -6.552 21.949 -0.681 1.00 0.00 C ATOM 1665 O ALA B 91 -6.868 23.136 -0.666 1.00 0.00 O ATOM 1666 CB ALA B 91 -8.120 20.082 -1.227 1.00 0.00 C ATOM 0 H ALA B 91 -5.795 19.357 -1.888 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.500 21.626 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -8.940 20.666 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -8.498 19.452 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -7.687 19.455 -0.448 1.00 0.00 H new ATOM 1672 N LEU B 92 -5.742 21.405 0.222 1.00 0.00 N ATOM 1673 CA LEU B 92 -5.176 22.206 1.298 1.00 0.00 C ATOM 1674 C LEU B 92 -4.255 23.274 0.715 1.00 0.00 C ATOM 1675 O LEU B 92 -4.022 24.317 1.327 1.00 0.00 O ATOM 1676 CB LEU B 92 -4.402 21.323 2.280 1.00 0.00 C ATOM 1677 CG LEU B 92 -5.224 20.790 3.454 1.00 0.00 C ATOM 1678 CD1 LEU B 92 -4.462 19.691 4.181 1.00 0.00 C ATOM 1679 CD2 LEU B 92 -5.581 21.917 4.411 1.00 0.00 C ATOM 0 H LEU B 92 -5.466 20.423 0.230 1.00 0.00 H new ATOM 0 HA LEU B 92 -5.990 22.688 1.840 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -3.985 20.477 1.734 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -3.561 21.894 2.674 1.00 0.00 H new ATOM 0 HG LEU B 92 -6.149 20.367 3.064 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -5.061 19.323 5.014 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -4.258 18.872 3.491 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -3.521 20.090 4.560 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -6.166 21.519 5.240 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -4.668 22.370 4.796 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -6.166 22.671 3.884 1.00 0.00 H new ATOM 1691 N LEU B 93 -3.744 23.003 -0.483 1.00 0.00 N ATOM 1692 CA LEU B 93 -2.855 23.929 -1.166 1.00 0.00 C ATOM 1693 C LEU B 93 -3.645 24.874 -2.064 1.00 0.00 C ATOM 1694 O LEU B 93 -3.310 26.051 -2.184 1.00 0.00 O ATOM 1695 CB LEU B 93 -1.821 23.164 -1.995 1.00 0.00 C ATOM 1696 CG LEU B 93 -0.401 23.171 -1.427 1.00 0.00 C ATOM 1697 CD1 LEU B 93 0.163 24.583 -1.418 1.00 0.00 C ATOM 1698 CD2 LEU B 93 -0.387 22.580 -0.025 1.00 0.00 C ATOM 0 H LEU B 93 -3.934 22.145 -1.000 1.00 0.00 H new ATOM 0 HA LEU B 93 -2.336 24.519 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU B 93 -2.151 22.130 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU B 93 -1.796 23.589 -2.999 1.00 0.00 H new ATOM 0 HG LEU B 93 0.230 22.554 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU B 93 1.174 24.568 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU B 93 0.188 24.971 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU B 93 -0.468 25.223 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU B 93 0.631 22.592 0.365 1.00 0.00 H new ATOM 0 HD22 LEU B 93 -1.032 23.171 0.625 1.00 0.00 H new ATOM 0 HD23 LEU B 93 -0.750 21.553 -0.060 1.00 0.00 H new ATOM 1710 N THR B 94 -4.701 24.363 -2.696 1.00 0.00 N ATOM 1711 CA THR B 94 -5.513 25.204 -3.571 1.00 0.00 C ATOM 1712 C THR B 94 -6.410 26.138 -2.757 1.00 0.00 C ATOM 1713 O THR B 94 -6.993 27.077 -3.299 1.00 0.00 O ATOM 1714 CB THR B 94 -6.354 24.356 -4.527 1.00 0.00 C ATOM 1715 OG1 THR B 94 -6.902 25.161 -5.556 1.00 0.00 O ATOM 1716 CG2 THR B 94 -7.497 23.649 -3.845 1.00 0.00 C ATOM 0 H THR B 94 -5.009 23.393 -2.621 1.00 0.00 H new ATOM 0 HA THR B 94 -4.832 25.814 -4.165 1.00 0.00 H new ATOM 0 HB THR B 94 -5.672 23.607 -4.929 1.00 0.00 H new ATOM 0 HG1 THR B 94 -7.107 26.051 -5.201 1.00 0.00 H new ATOM 0 HG21 THR B 94 -8.053 23.065 -4.578 1.00 0.00 H new ATOM 0 HG22 THR B 94 -7.106 22.985 -3.074 1.00 0.00 H new ATOM 0 HG23 THR B 94 -8.159 24.385 -3.389 1.00 0.00 H new ATOM 1724 N GLY B 95 -6.524 25.871 -1.458 1.00 0.00 N ATOM 1725 CA GLY B 95 -7.356 26.696 -0.602 1.00 0.00 C ATOM 1726 C GLY B 95 -6.576 27.420 0.480 1.00 0.00 C ATOM 1727 O GLY B 95 -6.958 28.514 0.895 1.00 0.00 O ATOM 0 H GLY B 95 -6.055 25.099 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY B 95 -7.880 27.430 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY B 95 -8.116 26.070 -0.135 1.00 0.00 H new ATOM 1731 N LEU B 96 -5.485 26.816 0.951 1.00 0.00 N ATOM 1732 CA LEU B 96 -4.674 27.432 2.001 1.00 0.00 C ATOM 1733 C LEU B 96 -3.268 27.773 1.520 1.00 0.00 C ATOM 1734 O LEU B 96 -2.459 28.310 2.276 1.00 0.00 O ATOM 1735 CB LEU B 96 -4.603 26.513 3.221 1.00 0.00 C ATOM 1736 CG LEU B 96 -5.452 26.954 4.415 1.00 0.00 C ATOM 1737 CD1 LEU B 96 -5.030 28.335 4.888 1.00 0.00 C ATOM 1738 CD2 LEU B 96 -6.930 26.938 4.050 1.00 0.00 C ATOM 0 H LEU B 96 -5.145 25.911 0.626 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.160 28.368 2.277 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -4.916 25.513 2.922 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -3.564 26.439 3.541 1.00 0.00 H new ATOM 0 HG LEU B 96 -5.293 26.251 5.232 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -5.645 28.632 5.738 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.982 28.312 5.188 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -5.160 29.053 4.078 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -7.521 27.254 4.910 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -7.107 27.620 3.218 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -7.222 25.929 3.760 1.00 0.00 H new ATOM 1750 N PHE B 97 -2.993 27.469 0.260 1.00 0.00 N ATOM 1751 CA PHE B 97 -1.696 27.740 -0.358 1.00 0.00 C ATOM 1752 C PHE B 97 -0.533 27.547 0.623 1.00 0.00 C ATOM 1753 O PHE B 97 -0.017 26.439 0.772 1.00 0.00 O ATOM 1754 CB PHE B 97 -1.675 29.150 -0.962 1.00 0.00 C ATOM 1755 CG PHE B 97 -2.595 30.134 -0.284 1.00 0.00 C ATOM 1756 CD1 PHE B 97 -3.969 29.991 -0.372 1.00 0.00 C ATOM 1757 CD2 PHE B 97 -2.082 31.204 0.434 1.00 0.00 C ATOM 1758 CE1 PHE B 97 -4.817 30.893 0.245 1.00 0.00 C ATOM 1759 CE2 PHE B 97 -2.923 32.108 1.054 1.00 0.00 C ATOM 1760 CZ PHE B 97 -4.292 31.953 0.959 1.00 0.00 C ATOM 0 H PHE B 97 -3.663 27.026 -0.368 1.00 0.00 H new ATOM 0 HA PHE B 97 -1.558 27.013 -1.158 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -0.656 29.535 -0.919 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -1.946 29.084 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -4.384 29.165 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -1.012 31.332 0.509 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -5.887 30.769 0.169 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -2.510 32.935 1.612 1.00 0.00 H new ATOM 0 HZ PHE B 97 -4.951 32.659 1.442 1.00 0.00 H new ATOM 1770 N VAL B 98 -0.120 28.624 1.290 1.00 0.00 N ATOM 1771 CA VAL B 98 0.979 28.556 2.246 1.00 0.00 C ATOM 1772 C VAL B 98 0.693 27.541 3.348 1.00 0.00 C ATOM 1773 O VAL B 98 -0.463 27.231 3.636 1.00 0.00 O ATOM 1774 CB VAL B 98 1.249 29.930 2.890 1.00 0.00 C ATOM 1775 CG1 VAL B 98 2.517 29.888 3.730 1.00 0.00 C ATOM 1776 CG2 VAL B 98 1.340 31.013 1.823 1.00 0.00 C ATOM 0 H VAL B 98 -0.531 29.552 1.185 1.00 0.00 H new ATOM 0 HA VAL B 98 1.861 28.242 1.688 1.00 0.00 H new ATOM 0 HB VAL B 98 0.415 30.172 3.548 1.00 0.00 H new ATOM 0 HG11 VAL B 98 2.690 30.867 4.176 1.00 0.00 H new ATOM 0 HG12 VAL B 98 2.406 29.144 4.519 1.00 0.00 H new ATOM 0 HG13 VAL B 98 3.364 29.622 3.097 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.531 31.976 2.297 1.00 0.00 H new ATOM 0 HG22 VAL B 98 2.153 30.779 1.136 1.00 0.00 H new ATOM 0 HG23 VAL B 98 0.401 31.060 1.271 1.00 0.00 H new ATOM 1786 N GLN B 99 1.755 27.024 3.961 1.00 0.00 N ATOM 1787 CA GLN B 99 1.619 26.044 5.032 1.00 0.00 C ATOM 1788 C GLN B 99 2.985 25.663 5.598 1.00 0.00 C ATOM 1789 O GLN B 99 3.624 24.723 5.123 1.00 0.00 O ATOM 1790 CB GLN B 99 0.897 24.795 4.518 1.00 0.00 C ATOM 1791 CG GLN B 99 -0.498 24.619 5.097 1.00 0.00 C ATOM 1792 CD GLN B 99 -1.297 23.549 4.378 1.00 0.00 C ATOM 1793 OE1 GLN B 99 -1.405 23.678 3.061 1.00 0.00 O flip ATOM 1794 NE2 GLN B 99 -1.809 22.617 4.999 1.00 0.00 N flip ATOM 0 H GLN B 99 2.719 27.268 3.733 1.00 0.00 H new ATOM 0 HA GLN B 99 1.029 26.493 5.831 1.00 0.00 H new ATOM 0 HB2 GLN B 99 0.827 24.847 3.432 1.00 0.00 H new ATOM 0 HB3 GLN B 99 1.495 23.915 4.757 1.00 0.00 H new ATOM 0 HG2 GLN B 99 -0.419 24.360 6.153 1.00 0.00 H new ATOM 0 HG3 GLN B 99 -1.033 25.567 5.040 1.00 0.00 H new ATOM 0 HE21 GLN B 99 -1.700 22.558 6.011 1.00 0.00 H new ATOM 0 HE22 GLN B 99 -2.342 21.904 4.501 1.00 0.00 H new ATOM 1803 N ASP B 100 3.423 26.396 6.616 1.00 0.00 N ATOM 1804 CA ASP B 100 4.713 26.132 7.247 1.00 0.00 C ATOM 1805 C ASP B 100 4.573 25.996 8.763 1.00 0.00 C ATOM 1806 O ASP B 100 5.570 25.963 9.484 1.00 0.00 O ATOM 1807 CB ASP B 100 5.703 27.250 6.913 1.00 0.00 C ATOM 1808 CG ASP B 100 5.219 28.608 7.382 1.00 0.00 C ATOM 1809 OD1 ASP B 100 4.135 29.039 6.935 1.00 0.00 O ATOM 1810 OD2 ASP B 100 5.927 29.244 8.192 1.00 0.00 O ATOM 0 H ASP B 100 2.906 27.176 7.022 1.00 0.00 H new ATOM 0 HA ASP B 100 5.090 25.187 6.855 1.00 0.00 H new ATOM 0 HB2 ASP B 100 6.665 27.030 7.376 1.00 0.00 H new ATOM 0 HB3 ASP B 100 5.866 27.277 5.836 1.00 0.00 H new ATOM 1815 N ASN B 101 3.332 25.916 9.243 1.00 0.00 N ATOM 1816 CA ASN B 101 3.073 25.781 10.673 1.00 0.00 C ATOM 1817 C ASN B 101 3.751 26.902 11.461 1.00 0.00 C ATOM 1818 O ASN B 101 4.301 27.837 10.880 1.00 0.00 O ATOM 1819 CB ASN B 101 3.565 24.422 11.173 1.00 0.00 C ATOM 1820 CG ASN B 101 2.443 23.409 11.293 1.00 0.00 C ATOM 1821 OD1 ASN B 101 1.672 23.431 12.253 1.00 0.00 O ATOM 1822 ND2 ASN B 101 2.346 22.514 10.316 1.00 0.00 N ATOM 0 H ASN B 101 2.493 25.942 8.663 1.00 0.00 H new ATOM 0 HA ASN B 101 1.997 25.853 10.830 1.00 0.00 H new ATOM 0 HB2 ASN B 101 4.324 24.040 10.490 1.00 0.00 H new ATOM 0 HB3 ASN B 101 4.043 24.547 12.144 1.00 0.00 H new ATOM 0 HD21 ASN B 101 1.611 21.808 10.342 1.00 0.00 H new ATOM 0 HD22 ASN B 101 3.007 22.533 9.539 1.00 0.00 H new ATOM 1829 N VAL B 102 3.705 26.796 12.785 1.00 0.00 N ATOM 1830 CA VAL B 102 4.316 27.796 13.652 1.00 0.00 C ATOM 1831 C VAL B 102 5.475 27.197 14.442 1.00 0.00 C ATOM 1832 O VAL B 102 5.460 26.013 14.781 1.00 0.00 O ATOM 1833 CB VAL B 102 3.287 28.392 14.634 1.00 0.00 C ATOM 1834 CG1 VAL B 102 2.720 27.310 15.541 1.00 0.00 C ATOM 1835 CG2 VAL B 102 3.914 29.511 15.453 1.00 0.00 C ATOM 0 H VAL B 102 3.251 26.028 13.280 1.00 0.00 H new ATOM 0 HA VAL B 102 4.691 28.592 13.008 1.00 0.00 H new ATOM 0 HB VAL B 102 2.465 28.813 14.055 1.00 0.00 H new ATOM 0 HG11 VAL B 102 1.996 27.752 16.226 1.00 0.00 H new ATOM 0 HG12 VAL B 102 2.229 26.548 14.936 1.00 0.00 H new ATOM 0 HG13 VAL B 102 3.528 26.854 16.112 1.00 0.00 H new ATOM 0 HG21 VAL B 102 3.172 29.919 16.140 1.00 0.00 H new ATOM 0 HG22 VAL B 102 4.757 29.118 16.021 1.00 0.00 H new ATOM 0 HG23 VAL B 102 4.262 30.299 14.786 1.00 0.00 H new ATOM 1845 N ASN B 103 6.479 28.018 14.729 1.00 0.00 N ATOM 1846 CA ASN B 103 7.645 27.562 15.476 1.00 0.00 C ATOM 1847 C ASN B 103 8.358 26.434 14.736 1.00 0.00 C ATOM 1848 O ASN B 103 7.939 26.029 13.652 1.00 0.00 O ATOM 1849 CB ASN B 103 7.232 27.089 16.871 1.00 0.00 C ATOM 1850 CG ASN B 103 6.755 28.226 17.754 1.00 0.00 C ATOM 1851 OD1 ASN B 103 5.583 28.293 18.121 1.00 0.00 O ATOM 1852 ND2 ASN B 103 7.666 29.129 18.098 1.00 0.00 N ATOM 0 H ASN B 103 6.509 29.000 14.456 1.00 0.00 H new ATOM 0 HA ASN B 103 8.333 28.402 15.574 1.00 0.00 H new ATOM 0 HB2 ASN B 103 6.438 26.347 16.779 1.00 0.00 H new ATOM 0 HB3 ASN B 103 8.078 26.593 17.348 1.00 0.00 H new ATOM 0 HD21 ASN B 103 7.404 29.918 18.690 1.00 0.00 H new ATOM 0 HD22 ASN B 103 8.627 29.034 17.771 1.00 0.00 H new ATOM 1859 N LYS B 104 9.435 25.933 15.330 1.00 0.00 N ATOM 1860 CA LYS B 104 10.204 24.850 14.729 1.00 0.00 C ATOM 1861 C LYS B 104 10.925 24.040 15.802 1.00 0.00 C ATOM 1862 O LYS B 104 10.845 22.813 15.826 1.00 0.00 O ATOM 1863 CB LYS B 104 11.216 25.407 13.726 1.00 0.00 C ATOM 1864 CG LYS B 104 11.540 24.449 12.593 1.00 0.00 C ATOM 1865 CD LYS B 104 12.967 24.627 12.099 1.00 0.00 C ATOM 1866 CE LYS B 104 13.883 23.537 12.633 1.00 0.00 C ATOM 1867 NZ LYS B 104 15.134 23.421 11.835 1.00 0.00 N ATOM 0 H LYS B 104 9.795 26.259 16.227 1.00 0.00 H new ATOM 0 HA LYS B 104 9.511 24.192 14.204 1.00 0.00 H new ATOM 0 HB2 LYS B 104 10.826 26.334 13.306 1.00 0.00 H new ATOM 0 HB3 LYS B 104 12.137 25.658 14.253 1.00 0.00 H new ATOM 0 HG2 LYS B 104 11.397 23.423 12.932 1.00 0.00 H new ATOM 0 HG3 LYS B 104 10.846 24.612 11.768 1.00 0.00 H new ATOM 0 HD2 LYS B 104 12.980 24.613 11.009 1.00 0.00 H new ATOM 0 HD3 LYS B 104 13.341 25.602 12.410 1.00 0.00 H new ATOM 0 HE2 LYS B 104 14.134 23.751 13.672 1.00 0.00 H new ATOM 0 HE3 LYS B 104 13.356 22.583 12.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 15.730 22.667 12.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 14.897 23.192 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 15.650 24.323 11.866 1.00 0.00 H new ATOM 1881 N ASP B 105 11.625 24.740 16.689 1.00 0.00 N ATOM 1882 CA ASP B 105 12.358 24.088 17.769 1.00 0.00 C ATOM 1883 C ASP B 105 11.417 23.267 18.642 1.00 0.00 C ATOM 1884 O ASP B 105 11.701 22.114 18.966 1.00 0.00 O ATOM 1885 CB ASP B 105 13.083 25.132 18.621 1.00 0.00 C ATOM 1886 CG ASP B 105 12.154 26.228 19.103 1.00 0.00 C ATOM 1887 OD1 ASP B 105 11.574 26.933 18.251 1.00 0.00 O ATOM 1888 OD2 ASP B 105 12.003 26.380 20.334 1.00 0.00 O ATOM 0 H ASP B 105 11.700 25.757 16.682 1.00 0.00 H new ATOM 0 HA ASP B 105 13.093 23.416 17.326 1.00 0.00 H new ATOM 0 HB2 ASP B 105 13.540 24.642 19.481 1.00 0.00 H new ATOM 0 HB3 ASP B 105 13.892 25.574 18.039 1.00 0.00 H new ATOM 1893 N ALA B 106 10.295 23.869 19.023 1.00 0.00 N ATOM 1894 CA ALA B 106 9.310 23.196 19.859 1.00 0.00 C ATOM 1895 C ALA B 106 8.485 22.205 19.046 1.00 0.00 C ATOM 1896 O ALA B 106 8.554 20.993 19.341 1.00 0.00 O ATOM 1897 CB ALA B 106 8.402 24.218 20.528 1.00 0.00 C ATOM 1898 OXT ALA B 106 7.775 22.648 18.117 1.00 0.00 O ATOM 0 H ALA B 106 10.046 24.824 18.765 1.00 0.00 H new ATOM 0 HA ALA B 106 9.843 22.638 20.629 1.00 0.00 H new ATOM 0 HB1 ALA B 106 7.670 23.703 21.150 1.00 0.00 H new ATOM 0 HB2 ALA B 106 9.000 24.885 21.149 1.00 0.00 H new ATOM 0 HB3 ALA B 106 7.884 24.799 19.765 1.00 0.00 H new TER 1904 ALA B 106