USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 718 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 1 MET CE :methyl -179:sc= -1.94! (180deg=-1.61!) USER MOD Set 1.2: A 58 HIS : no HE2:sc= -1.05 K(o=-3,f=-4) USER MOD Single : A 0 SER OG : rot 180:sc=0.000804 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0251) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 GLY N :NH3+ 180:sc=-0.00229 (180deg=-0.00229) USER MOD Single : A 10 LYS NZ :NH3+ -112:sc= -0.0366 (180deg=-0.374) USER MOD Single : A 12 THR OG1 : rot 54:sc= -0.172 USER MOD Single : A 18 SER OG : rot 180:sc= 0.061 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.744 (180deg=-1.54) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc=-0.00113 (180deg=-0.101) USER MOD Single : A 29 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.1!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.37) USER MOD Single : A 37 TYR OH : rot -43:sc= -1.93 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.023) USER MOD Single : A 42 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc=-0.00568 K(o=-0.0057,f=-0.76) USER MOD Single : A 52 TYR OH : rot 134:sc= -2.45 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.118 USER MOD Single : B 1 SER N :NH3+ -102:sc= 0.245 (180deg=-0.544) USER MOD Single : B 1 SER OG : rot 180:sc= 0.155 USER MOD Single : B 6 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.024) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -21:sc= 0.46 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 9.724 -4.121 -36.557 1.00 0.00 N ATOM 2 CA GLY A -8 8.458 -4.081 -37.462 1.00 0.00 C ATOM 3 C GLY A -8 8.350 -3.077 -38.529 1.00 0.00 C ATOM 4 O GLY A -8 7.542 -3.199 -39.433 1.00 0.00 O ATOM 0 H1 GLY A -8 9.630 -4.889 -35.862 1.00 0.00 H new ATOM 0 H2 GLY A -8 10.566 -4.287 -37.145 1.00 0.00 H new ATOM 0 H3 GLY A -8 9.823 -3.213 -36.059 1.00 0.00 H new ATOM 0 HA2 GLY A -8 8.362 -5.061 -37.928 1.00 0.00 H new ATOM 0 HA3 GLY A -8 7.596 -3.953 -36.808 1.00 0.00 H new ATOM 10 N SER A -7 9.156 -2.042 -38.467 1.00 0.00 N ATOM 11 CA SER A -7 9.107 -0.975 -39.519 1.00 0.00 C ATOM 12 C SER A -7 7.704 -0.359 -39.569 1.00 0.00 C ATOM 13 O SER A -7 6.865 -0.771 -40.350 1.00 0.00 O ATOM 14 CB SER A -7 9.444 -1.582 -40.880 1.00 0.00 C ATOM 15 OG SER A -7 10.054 -0.592 -41.699 1.00 0.00 O ATOM 0 H SER A -7 9.847 -1.890 -37.732 1.00 0.00 H new ATOM 0 HA SER A -7 9.833 -0.199 -39.276 1.00 0.00 H new ATOM 0 HB2 SER A -7 10.115 -2.432 -40.756 1.00 0.00 H new ATOM 0 HB3 SER A -7 8.539 -1.958 -41.357 1.00 0.00 H new ATOM 0 HG SER A -7 10.273 -0.979 -42.572 1.00 0.00 H new ATOM 21 N ARG A -6 7.445 0.624 -38.741 1.00 0.00 N ATOM 22 CA ARG A -6 6.100 1.271 -38.736 1.00 0.00 C ATOM 23 C ARG A -6 6.028 2.313 -39.855 1.00 0.00 C ATOM 24 O ARG A -6 6.689 3.335 -39.805 1.00 0.00 O ATOM 25 CB ARG A -6 5.867 1.957 -37.385 1.00 0.00 C ATOM 26 CG ARG A -6 5.106 1.010 -36.442 1.00 0.00 C ATOM 27 CD ARG A -6 6.055 0.465 -35.366 1.00 0.00 C ATOM 28 NE ARG A -6 5.375 0.500 -34.040 1.00 0.00 N ATOM 29 CZ ARG A -6 4.735 -0.551 -33.606 1.00 0.00 C ATOM 30 NH1 ARG A -6 5.391 -1.645 -33.325 1.00 0.00 N ATOM 31 NH2 ARG A -6 3.439 -0.511 -33.454 1.00 0.00 N ATOM 0 H ARG A -6 8.110 1.005 -38.068 1.00 0.00 H new ATOM 0 HA ARG A -6 5.334 0.513 -38.896 1.00 0.00 H new ATOM 0 HB2 ARG A -6 6.822 2.237 -36.940 1.00 0.00 H new ATOM 0 HB3 ARG A -6 5.299 2.877 -37.527 1.00 0.00 H new ATOM 0 HG2 ARG A -6 4.277 1.540 -35.973 1.00 0.00 H new ATOM 0 HG3 ARG A -6 4.676 0.185 -37.011 1.00 0.00 H new ATOM 0 HD2 ARG A -6 6.349 -0.556 -35.609 1.00 0.00 H new ATOM 0 HD3 ARG A -6 6.967 1.061 -35.335 1.00 0.00 H new ATOM 0 HE ARG A -6 5.410 1.346 -33.471 1.00 0.00 H new ATOM 0 HH11 ARG A -6 6.403 -1.678 -33.445 1.00 0.00 H new ATOM 0 HH12 ARG A -6 4.891 -2.467 -32.986 1.00 0.00 H new ATOM 0 HH21 ARG A -6 2.926 0.342 -33.675 1.00 0.00 H new ATOM 0 HH22 ARG A -6 2.940 -1.333 -33.115 1.00 0.00 H new ATOM 45 N ARG A -5 5.225 2.063 -40.860 1.00 0.00 N ATOM 46 CA ARG A -5 5.100 3.036 -41.986 1.00 0.00 C ATOM 47 C ARG A -5 3.737 3.727 -41.910 1.00 0.00 C ATOM 48 O ARG A -5 3.152 4.080 -42.917 1.00 0.00 O ATOM 49 CB ARG A -5 5.225 2.294 -43.318 1.00 0.00 C ATOM 50 CG ARG A -5 6.679 1.867 -43.531 1.00 0.00 C ATOM 51 CD ARG A -5 7.499 3.066 -44.011 1.00 0.00 C ATOM 52 NE ARG A -5 7.537 3.076 -45.501 1.00 0.00 N ATOM 53 CZ ARG A -5 8.452 2.395 -46.134 1.00 0.00 C ATOM 54 NH1 ARG A -5 9.712 2.695 -45.980 1.00 0.00 N ATOM 55 NH2 ARG A -5 8.107 1.416 -46.925 1.00 0.00 N ATOM 0 H ARG A -5 4.650 1.225 -40.948 1.00 0.00 H new ATOM 0 HA ARG A -5 5.891 3.783 -41.913 1.00 0.00 H new ATOM 0 HB2 ARG A -5 4.574 1.420 -43.322 1.00 0.00 H new ATOM 0 HB3 ARG A -5 4.900 2.937 -44.136 1.00 0.00 H new ATOM 0 HG2 ARG A -5 7.094 1.478 -42.602 1.00 0.00 H new ATOM 0 HG3 ARG A -5 6.729 1.062 -44.264 1.00 0.00 H new ATOM 0 HD2 ARG A -5 7.059 3.992 -43.641 1.00 0.00 H new ATOM 0 HD3 ARG A -5 8.511 3.012 -43.611 1.00 0.00 H new ATOM 0 HE ARG A -5 6.848 3.615 -46.025 1.00 0.00 H new ATOM 0 HH11 ARG A -5 9.982 3.462 -45.364 1.00 0.00 H new ATOM 0 HH12 ARG A -5 10.427 2.162 -46.475 1.00 0.00 H new ATOM 0 HH21 ARG A -5 7.122 1.183 -47.048 1.00 0.00 H new ATOM 0 HH22 ARG A -5 8.823 0.884 -47.420 1.00 0.00 H new ATOM 69 N ALA A -4 3.229 3.920 -40.716 1.00 0.00 N ATOM 70 CA ALA A -4 1.903 4.586 -40.557 1.00 0.00 C ATOM 71 C ALA A -4 1.658 4.878 -39.071 1.00 0.00 C ATOM 72 O ALA A -4 2.575 4.858 -38.270 1.00 0.00 O ATOM 73 CB ALA A -4 0.802 3.663 -41.089 1.00 0.00 C ATOM 0 H ALA A -4 3.679 3.643 -39.844 1.00 0.00 H new ATOM 0 HA ALA A -4 1.892 5.521 -41.118 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -0.167 4.148 -40.973 1.00 0.00 H new ATOM 0 HB2 ALA A -4 0.980 3.455 -42.144 1.00 0.00 H new ATOM 0 HB3 ALA A -4 0.809 2.728 -40.529 1.00 0.00 H new ATOM 79 N SER A -3 0.428 5.149 -38.698 1.00 0.00 N ATOM 80 CA SER A -3 0.125 5.444 -37.265 1.00 0.00 C ATOM 81 C SER A -3 -1.237 4.840 -36.893 1.00 0.00 C ATOM 82 O SER A -3 -2.040 5.462 -36.220 1.00 0.00 O ATOM 83 CB SER A -3 0.089 6.959 -37.055 1.00 0.00 C ATOM 84 OG SER A -3 -0.797 7.543 -38.002 1.00 0.00 O ATOM 0 H SER A -3 -0.376 5.178 -39.325 1.00 0.00 H new ATOM 0 HA SER A -3 0.898 5.008 -36.632 1.00 0.00 H new ATOM 0 HB2 SER A -3 -0.240 7.190 -36.042 1.00 0.00 H new ATOM 0 HB3 SER A -3 1.089 7.378 -37.169 1.00 0.00 H new ATOM 0 HG SER A -3 -0.824 8.514 -37.869 1.00 0.00 H new ATOM 90 N VAL A -2 -1.499 3.631 -37.330 1.00 0.00 N ATOM 91 CA VAL A -2 -2.804 2.978 -37.008 1.00 0.00 C ATOM 92 C VAL A -2 -2.639 1.457 -37.053 1.00 0.00 C ATOM 93 O VAL A -2 -2.549 0.868 -38.115 1.00 0.00 O ATOM 94 CB VAL A -2 -3.861 3.403 -38.034 1.00 0.00 C ATOM 95 CG1 VAL A -2 -4.161 4.893 -37.876 1.00 0.00 C ATOM 96 CG2 VAL A -2 -3.343 3.134 -39.453 1.00 0.00 C ATOM 0 H VAL A -2 -0.863 3.069 -37.896 1.00 0.00 H new ATOM 0 HA VAL A -2 -3.122 3.283 -36.011 1.00 0.00 H new ATOM 0 HB VAL A -2 -4.773 2.829 -37.867 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -4.913 5.192 -38.607 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -4.536 5.084 -36.871 1.00 0.00 H new ATOM 0 HG13 VAL A -2 -3.249 5.467 -38.038 1.00 0.00 H new ATOM 0 HG21 VAL A -2 -4.097 3.437 -40.179 1.00 0.00 H new ATOM 0 HG22 VAL A -2 -2.428 3.703 -39.620 1.00 0.00 H new ATOM 0 HG23 VAL A -2 -3.135 2.070 -39.569 1.00 0.00 H new ATOM 106 N GLY A -1 -2.604 0.814 -35.907 1.00 0.00 N ATOM 107 CA GLY A -1 -2.449 -0.671 -35.884 1.00 0.00 C ATOM 108 C GLY A -1 -2.170 -1.151 -34.456 1.00 0.00 C ATOM 109 O GLY A -1 -1.064 -1.540 -34.130 1.00 0.00 O ATOM 0 H GLY A -1 -2.676 1.256 -34.991 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -3.354 -1.144 -36.264 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -1.633 -0.969 -36.542 1.00 0.00 H new ATOM 113 N SER A 0 -3.171 -1.138 -33.606 1.00 0.00 N ATOM 114 CA SER A 0 -2.971 -1.607 -32.198 1.00 0.00 C ATOM 115 C SER A 0 -3.879 -2.805 -31.934 1.00 0.00 C ATOM 116 O SER A 0 -4.703 -3.166 -32.755 1.00 0.00 O ATOM 117 CB SER A 0 -3.320 -0.482 -31.213 1.00 0.00 C ATOM 118 OG SER A 0 -4.254 0.403 -31.821 1.00 0.00 O ATOM 0 H SER A 0 -4.116 -0.823 -33.827 1.00 0.00 H new ATOM 0 HA SER A 0 -1.928 -1.892 -32.061 1.00 0.00 H new ATOM 0 HB2 SER A 0 -3.741 -0.901 -30.299 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.419 0.061 -30.929 1.00 0.00 H new ATOM 0 HG SER A 0 -4.480 1.121 -31.194 1.00 0.00 H new ATOM 124 N MET A 1 -3.738 -3.414 -30.788 1.00 0.00 N ATOM 125 CA MET A 1 -4.592 -4.582 -30.443 1.00 0.00 C ATOM 126 C MET A 1 -5.361 -4.274 -29.185 1.00 0.00 C ATOM 127 O MET A 1 -5.316 -3.166 -28.679 1.00 0.00 O ATOM 128 CB MET A 1 -3.719 -5.818 -30.216 1.00 0.00 C ATOM 129 CG MET A 1 -3.551 -6.555 -31.532 1.00 0.00 C ATOM 130 SD MET A 1 -2.491 -5.591 -32.639 1.00 0.00 S ATOM 131 CE MET A 1 -3.621 -5.545 -34.050 1.00 0.00 C ATOM 0 H MET A 1 -3.062 -3.149 -30.072 1.00 0.00 H new ATOM 0 HA MET A 1 -5.283 -4.780 -31.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.746 -5.524 -29.823 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.178 -6.472 -29.475 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.112 -7.537 -31.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.524 -6.719 -31.995 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.154 -5.003 -34.872 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.847 -6.563 -34.368 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.544 -5.042 -33.761 1.00 0.00 H new ATOM 141 N GLU A 2 -6.060 -5.241 -28.661 1.00 0.00 N ATOM 142 CA GLU A 2 -6.814 -5.024 -27.444 1.00 0.00 C ATOM 143 C GLU A 2 -6.376 -6.085 -26.465 1.00 0.00 C ATOM 144 O GLU A 2 -5.619 -6.978 -26.805 1.00 0.00 O ATOM 145 CB GLU A 2 -8.305 -5.177 -27.751 1.00 0.00 C ATOM 146 CG GLU A 2 -9.073 -3.933 -27.293 1.00 0.00 C ATOM 147 CD GLU A 2 -10.401 -3.847 -28.047 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.385 -3.415 -29.189 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.412 -4.216 -27.472 1.00 0.00 O ATOM 0 H GLU A 2 -6.128 -6.182 -29.048 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.643 -4.028 -27.034 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.449 -5.328 -28.821 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.698 -6.061 -27.248 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.255 -3.980 -26.219 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.479 -3.038 -27.477 1.00 0.00 H new ATOM 156 N ALA A 3 -6.844 -6.007 -25.280 1.00 0.00 N ATOM 157 CA ALA A 3 -6.476 -7.026 -24.270 1.00 0.00 C ATOM 158 C ALA A 3 -7.559 -7.125 -23.212 1.00 0.00 C ATOM 159 O ALA A 3 -7.834 -6.196 -22.485 1.00 0.00 O ATOM 160 CB ALA A 3 -5.156 -6.675 -23.634 1.00 0.00 C ATOM 0 H ALA A 3 -7.475 -5.277 -24.950 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.379 -7.993 -24.764 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.896 -7.431 -22.893 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.382 -6.637 -24.400 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.234 -5.703 -23.148 1.00 0.00 H new ATOM 166 N ILE A 4 -8.185 -8.252 -23.153 1.00 0.00 N ATOM 167 CA ILE A 4 -9.291 -8.474 -22.194 1.00 0.00 C ATOM 168 C ILE A 4 -8.849 -8.288 -20.766 1.00 0.00 C ATOM 169 O ILE A 4 -8.009 -9.007 -20.265 1.00 0.00 O ATOM 170 CB ILE A 4 -9.826 -9.886 -22.366 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.934 -10.163 -21.327 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.709 -10.897 -22.193 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.099 -10.805 -22.014 1.00 0.00 C ATOM 0 H ILE A 4 -7.972 -9.054 -23.746 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.065 -7.736 -22.404 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.240 -9.979 -23.370 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.556 -10.814 -20.539 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.244 -9.233 -20.851 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.107 -11.904 -22.319 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.936 -10.716 -22.940 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.280 -10.798 -21.196 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.886 -11.004 -21.287 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.479 -10.137 -22.786 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.781 -11.743 -22.470 1.00 0.00 H new ATOM 185 N ALA A 5 -9.486 -7.384 -20.095 1.00 0.00 N ATOM 186 CA ALA A 5 -9.189 -7.184 -18.640 1.00 0.00 C ATOM 187 C ALA A 5 -9.818 -8.366 -17.901 1.00 0.00 C ATOM 188 O ALA A 5 -11.025 -8.441 -17.757 1.00 0.00 O ATOM 189 CB ALA A 5 -9.821 -5.895 -18.126 1.00 0.00 C ATOM 0 H ALA A 5 -10.202 -6.769 -20.481 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.112 -7.120 -18.482 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.590 -5.774 -17.068 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.423 -5.047 -18.684 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.902 -5.942 -18.259 1.00 0.00 H new ATOM 195 N LYS A 6 -9.024 -9.303 -17.468 1.00 0.00 N ATOM 196 CA LYS A 6 -9.580 -10.505 -16.777 1.00 0.00 C ATOM 197 C LYS A 6 -10.280 -10.111 -15.476 1.00 0.00 C ATOM 198 O LYS A 6 -11.182 -10.795 -15.025 1.00 0.00 O ATOM 199 CB LYS A 6 -8.445 -11.473 -16.449 1.00 0.00 C ATOM 200 CG LYS A 6 -7.699 -11.832 -17.729 1.00 0.00 C ATOM 201 CD LYS A 6 -6.233 -12.118 -17.404 1.00 0.00 C ATOM 202 CE LYS A 6 -6.128 -13.400 -16.579 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.242 -14.579 -17.483 1.00 0.00 N ATOM 0 H LYS A 6 -8.008 -9.291 -17.562 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.304 -10.977 -17.441 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.761 -11.019 -15.732 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.844 -12.374 -15.983 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.156 -12.705 -18.196 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.770 -11.014 -18.445 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.659 -12.219 -18.325 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.803 -11.282 -16.851 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.177 -13.426 -16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.916 -13.427 -15.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.053 -15.449 -16.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.202 -14.620 -17.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.551 -14.493 -18.255 1.00 0.00 H new ATOM 217 N TYR A 7 -9.866 -9.032 -14.856 1.00 0.00 N ATOM 218 CA TYR A 7 -10.509 -8.622 -13.558 1.00 0.00 C ATOM 219 C TYR A 7 -10.533 -7.115 -13.443 1.00 0.00 C ATOM 220 O TYR A 7 -10.210 -6.394 -14.370 1.00 0.00 O ATOM 221 CB TYR A 7 -9.721 -9.195 -12.359 1.00 0.00 C ATOM 222 CG TYR A 7 -9.224 -10.587 -12.655 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.111 -11.664 -12.663 1.00 0.00 C ATOM 224 CD2 TYR A 7 -7.870 -10.790 -12.925 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.641 -12.953 -12.945 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.396 -12.072 -13.206 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.281 -13.157 -13.217 1.00 0.00 C ATOM 228 OH TYR A 7 -7.815 -14.425 -13.498 1.00 0.00 O ATOM 0 H TYR A 7 -9.119 -8.420 -15.185 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.527 -9.013 -13.547 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.877 -8.545 -12.130 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.359 -9.213 -11.475 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.158 -11.504 -12.452 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.187 -9.953 -12.916 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.325 -13.788 -12.953 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.348 -12.227 -13.415 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.850 -14.389 -13.664 1.00 0.00 H new ATOM 238 N ASP A 8 -10.936 -6.640 -12.302 1.00 0.00 N ATOM 239 CA ASP A 8 -11.019 -5.186 -12.077 1.00 0.00 C ATOM 240 C ASP A 8 -9.696 -4.663 -11.494 1.00 0.00 C ATOM 241 O ASP A 8 -8.879 -5.413 -11.019 1.00 0.00 O ATOM 242 CB ASP A 8 -12.189 -4.923 -11.131 1.00 0.00 C ATOM 243 CG ASP A 8 -11.881 -5.462 -9.723 1.00 0.00 C ATOM 244 OD1 ASP A 8 -12.114 -6.637 -9.497 1.00 0.00 O ATOM 245 OD2 ASP A 8 -11.419 -4.686 -8.902 1.00 0.00 O ATOM 0 H ASP A 8 -11.215 -7.213 -11.506 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.187 -4.659 -13.016 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.389 -3.853 -11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.090 -5.398 -11.519 1.00 0.00 H new ATOM 250 N PHE A 9 -9.495 -3.374 -11.535 1.00 0.00 N ATOM 251 CA PHE A 9 -8.234 -2.763 -11.006 1.00 0.00 C ATOM 252 C PHE A 9 -8.215 -1.280 -11.376 1.00 0.00 C ATOM 253 O PHE A 9 -9.145 -0.769 -11.971 1.00 0.00 O ATOM 254 CB PHE A 9 -6.996 -3.460 -11.632 1.00 0.00 C ATOM 255 CG PHE A 9 -6.014 -3.866 -10.544 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.473 -4.498 -9.379 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.647 -3.614 -10.708 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.567 -4.873 -8.380 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.740 -3.990 -9.709 1.00 0.00 C ATOM 260 CZ PHE A 9 -4.200 -4.619 -8.546 1.00 0.00 C ATOM 0 H PHE A 9 -10.161 -2.704 -11.919 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.199 -2.886 -9.924 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.311 -4.339 -12.194 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.509 -2.787 -12.338 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.527 -4.696 -9.253 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.291 -3.129 -11.605 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.922 -5.358 -7.482 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.685 -3.795 -9.836 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.500 -4.909 -7.776 1.00 0.00 H new ATOM 270 N LYS A 10 -7.164 -0.591 -11.028 1.00 0.00 N ATOM 271 CA LYS A 10 -7.072 0.863 -11.355 1.00 0.00 C ATOM 272 C LYS A 10 -5.667 1.225 -11.767 1.00 0.00 C ATOM 273 O LYS A 10 -4.797 0.382 -11.899 1.00 0.00 O ATOM 274 CB LYS A 10 -7.503 1.692 -10.136 1.00 0.00 C ATOM 275 CG LYS A 10 -6.538 1.471 -8.957 1.00 0.00 C ATOM 276 CD LYS A 10 -6.471 2.740 -8.094 1.00 0.00 C ATOM 277 CE LYS A 10 -7.854 3.055 -7.510 1.00 0.00 C ATOM 278 NZ LYS A 10 -8.465 4.196 -8.256 1.00 0.00 N ATOM 0 H LYS A 10 -6.360 -0.973 -10.529 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.737 1.082 -12.190 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.527 2.749 -10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.515 1.414 -9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.874 0.627 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.545 1.221 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.750 2.603 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.122 3.580 -8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.497 2.177 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.765 3.305 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.525 5.026 -7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.876 4.426 -9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.419 3.932 -8.574 1.00 0.00 H new ATOM 292 N ALA A 11 -5.450 2.485 -11.970 1.00 0.00 N ATOM 293 CA ALA A 11 -4.122 2.955 -12.375 1.00 0.00 C ATOM 294 C ALA A 11 -3.257 3.091 -11.112 1.00 0.00 C ATOM 295 O ALA A 11 -3.721 3.578 -10.096 1.00 0.00 O ATOM 296 CB ALA A 11 -4.248 4.306 -13.067 1.00 0.00 C ATOM 0 H ALA A 11 -6.153 3.217 -11.869 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.663 2.250 -13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.260 4.654 -13.368 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.881 4.206 -13.949 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.693 5.026 -12.381 1.00 0.00 H new ATOM 302 N THR A 12 -2.020 2.659 -11.152 1.00 0.00 N ATOM 303 CA THR A 12 -1.152 2.765 -9.934 1.00 0.00 C ATOM 304 C THR A 12 0.044 3.674 -10.224 1.00 0.00 C ATOM 305 O THR A 12 1.174 3.363 -9.890 1.00 0.00 O ATOM 306 CB THR A 12 -0.660 1.370 -9.531 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.353 0.621 -10.698 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.753 0.657 -8.737 1.00 0.00 C ATOM 0 H THR A 12 -1.575 2.240 -11.969 1.00 0.00 H new ATOM 0 HA THR A 12 -1.732 3.193 -9.116 1.00 0.00 H new ATOM 0 HB THR A 12 0.235 1.462 -8.915 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.275 1.127 -11.256 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.405 -0.335 -8.449 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.987 1.233 -7.842 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.648 0.564 -9.353 1.00 0.00 H new ATOM 316 N ALA A 13 -0.202 4.803 -10.840 1.00 0.00 N ATOM 317 CA ALA A 13 0.906 5.754 -11.158 1.00 0.00 C ATOM 318 C ALA A 13 0.346 6.949 -11.880 1.00 0.00 C ATOM 319 O ALA A 13 -0.837 7.036 -12.154 1.00 0.00 O ATOM 320 CB ALA A 13 1.953 5.075 -12.046 1.00 0.00 C ATOM 0 H ALA A 13 -1.129 5.108 -11.138 1.00 0.00 H new ATOM 0 HA ALA A 13 1.379 6.068 -10.227 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.754 5.780 -12.269 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.366 4.210 -11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.486 4.750 -12.976 1.00 0.00 H new ATOM 326 N ASP A 14 1.194 7.875 -12.180 1.00 0.00 N ATOM 327 CA ASP A 14 0.765 9.096 -12.879 1.00 0.00 C ATOM 328 C ASP A 14 0.644 8.837 -14.390 1.00 0.00 C ATOM 329 O ASP A 14 0.282 9.721 -15.146 1.00 0.00 O ATOM 330 CB ASP A 14 1.803 10.154 -12.604 1.00 0.00 C ATOM 331 CG ASP A 14 1.196 11.545 -12.801 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.982 11.920 -13.942 1.00 0.00 O ATOM 333 OD2 ASP A 14 0.956 12.213 -11.808 1.00 0.00 O ATOM 0 H ASP A 14 2.190 7.834 -11.964 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.215 9.418 -12.526 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.177 10.052 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.655 10.022 -13.271 1.00 0.00 H new ATOM 338 N ASP A 15 0.930 7.629 -14.832 1.00 0.00 N ATOM 339 CA ASP A 15 0.821 7.310 -16.255 1.00 0.00 C ATOM 340 C ASP A 15 0.259 5.898 -16.409 1.00 0.00 C ATOM 341 O ASP A 15 0.557 5.204 -17.365 1.00 0.00 O ATOM 342 CB ASP A 15 2.201 7.386 -16.904 1.00 0.00 C ATOM 343 CG ASP A 15 2.448 8.803 -17.423 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.561 9.340 -18.066 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.520 9.327 -17.171 1.00 0.00 O ATOM 0 H ASP A 15 1.236 6.856 -14.241 1.00 0.00 H new ATOM 0 HA ASP A 15 0.157 8.024 -16.742 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.969 7.114 -16.180 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.268 6.671 -17.724 1.00 0.00 H new ATOM 350 N GLU A 16 -0.553 5.462 -15.467 1.00 0.00 N ATOM 351 CA GLU A 16 -1.128 4.099 -15.554 1.00 0.00 C ATOM 352 C GLU A 16 -2.573 4.190 -16.040 1.00 0.00 C ATOM 353 O GLU A 16 -3.097 5.269 -16.251 1.00 0.00 O ATOM 354 CB GLU A 16 -1.067 3.448 -14.177 1.00 0.00 C ATOM 355 CG GLU A 16 -0.981 1.925 -14.326 1.00 0.00 C ATOM 356 CD GLU A 16 0.341 1.421 -13.739 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.351 2.065 -13.966 1.00 0.00 O ATOM 358 OE2 GLU A 16 0.319 0.403 -13.075 1.00 0.00 O ATOM 0 H GLU A 16 -0.835 6.000 -14.647 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.560 3.493 -16.260 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.201 3.818 -13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.951 3.717 -13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.820 1.452 -13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.051 1.649 -15.378 1.00 0.00 H new ATOM 365 N LEU A 17 -3.210 3.066 -16.245 1.00 0.00 N ATOM 366 CA LEU A 17 -4.612 3.079 -16.749 1.00 0.00 C ATOM 367 C LEU A 17 -5.496 2.147 -15.908 1.00 0.00 C ATOM 368 O LEU A 17 -5.157 1.009 -15.647 1.00 0.00 O ATOM 369 CB LEU A 17 -4.595 2.639 -18.238 1.00 0.00 C ATOM 370 CG LEU A 17 -6.019 2.479 -18.808 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.488 3.811 -19.388 1.00 0.00 C ATOM 372 CD2 LEU A 17 -6.002 1.417 -19.923 1.00 0.00 C ATOM 0 H LEU A 17 -2.817 2.139 -16.084 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.032 4.082 -16.668 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.049 3.375 -18.828 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.059 1.695 -18.331 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.698 2.169 -18.013 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.494 3.698 -19.791 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.494 4.568 -18.603 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.811 4.120 -20.184 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.007 1.300 -20.329 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.324 1.733 -20.716 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.663 0.465 -19.514 1.00 0.00 H new ATOM 384 N SER A 18 -6.634 2.647 -15.484 1.00 0.00 N ATOM 385 CA SER A 18 -7.558 1.869 -14.675 1.00 0.00 C ATOM 386 C SER A 18 -8.540 1.109 -15.578 1.00 0.00 C ATOM 387 O SER A 18 -8.647 1.373 -16.761 1.00 0.00 O ATOM 388 CB SER A 18 -8.328 2.857 -13.835 1.00 0.00 C ATOM 389 OG SER A 18 -8.837 3.889 -14.670 1.00 0.00 O ATOM 0 H SER A 18 -6.948 3.596 -15.685 1.00 0.00 H new ATOM 0 HA SER A 18 -7.022 1.144 -14.062 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.146 2.354 -13.320 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.681 3.281 -13.067 1.00 0.00 H new ATOM 0 HG SER A 18 -9.339 4.532 -14.127 1.00 0.00 H new ATOM 395 N PHE A 19 -9.271 0.182 -15.014 1.00 0.00 N ATOM 396 CA PHE A 19 -10.272 -0.594 -15.806 1.00 0.00 C ATOM 397 C PHE A 19 -10.977 -1.573 -14.869 1.00 0.00 C ATOM 398 O PHE A 19 -10.557 -1.769 -13.757 1.00 0.00 O ATOM 399 CB PHE A 19 -9.574 -1.357 -16.942 1.00 0.00 C ATOM 400 CG PHE A 19 -8.507 -2.265 -16.381 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.867 -3.481 -15.791 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.159 -1.894 -16.455 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.879 -4.328 -15.273 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.170 -2.740 -15.937 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.529 -3.956 -15.346 1.00 0.00 C ATOM 0 H PHE A 19 -9.216 -0.073 -14.028 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.000 0.085 -16.250 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.305 -1.943 -17.499 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.129 -0.652 -17.644 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.907 -3.767 -15.735 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.882 -0.955 -16.912 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.157 -5.267 -14.818 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.130 -2.453 -15.994 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.767 -4.608 -14.946 1.00 0.00 H new ATOM 415 N LYS A 20 -12.058 -2.171 -15.304 1.00 0.00 N ATOM 416 CA LYS A 20 -12.802 -3.123 -14.424 1.00 0.00 C ATOM 417 C LYS A 20 -12.771 -4.522 -15.017 1.00 0.00 C ATOM 418 O LYS A 20 -12.209 -4.755 -16.069 1.00 0.00 O ATOM 419 CB LYS A 20 -14.255 -2.668 -14.320 1.00 0.00 C ATOM 420 CG LYS A 20 -14.309 -1.203 -13.877 1.00 0.00 C ATOM 421 CD LYS A 20 -14.828 -1.110 -12.438 1.00 0.00 C ATOM 422 CE LYS A 20 -16.355 -1.029 -12.451 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.920 -2.369 -12.777 1.00 0.00 N ATOM 0 H LYS A 20 -12.458 -2.040 -16.233 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.333 -3.139 -13.440 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.752 -2.785 -15.283 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.791 -3.293 -13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.317 -0.757 -13.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.959 -0.636 -14.544 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.504 -1.980 -11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.411 -0.232 -11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.721 -0.695 -11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.685 -0.295 -13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.920 -2.402 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.843 -2.538 -13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.391 -3.103 -12.264 1.00 0.00 H new ATOM 437 N ARG A 21 -13.389 -5.451 -14.341 1.00 0.00 N ATOM 438 CA ARG A 21 -13.436 -6.845 -14.836 1.00 0.00 C ATOM 439 C ARG A 21 -14.350 -6.909 -16.057 1.00 0.00 C ATOM 440 O ARG A 21 -15.554 -6.764 -15.947 1.00 0.00 O ATOM 441 CB ARG A 21 -14.000 -7.719 -13.738 1.00 0.00 C ATOM 442 CG ARG A 21 -13.911 -9.186 -14.137 1.00 0.00 C ATOM 443 CD ARG A 21 -13.838 -10.024 -12.869 1.00 0.00 C ATOM 444 NE ARG A 21 -14.540 -11.320 -13.085 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.674 -11.557 -12.483 1.00 0.00 C ATOM 446 NH1 ARG A 21 -16.629 -10.669 -12.519 1.00 0.00 N ATOM 447 NH2 ARG A 21 -15.851 -12.682 -11.845 1.00 0.00 N ATOM 0 H ARG A 21 -13.869 -5.295 -13.454 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.439 -7.187 -15.113 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.450 -7.552 -12.812 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.038 -7.449 -13.545 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.780 -9.471 -14.731 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.031 -9.358 -14.757 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.797 -10.203 -12.599 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.295 -9.486 -12.038 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.135 -12.023 -13.703 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.490 -9.790 -13.017 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.515 -10.854 -12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.104 -13.375 -11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.737 -12.868 -11.375 1.00 0.00 H new ATOM 461 N GLY A 22 -13.788 -7.111 -17.218 1.00 0.00 N ATOM 462 CA GLY A 22 -14.619 -7.170 -18.457 1.00 0.00 C ATOM 463 C GLY A 22 -14.377 -5.913 -19.311 1.00 0.00 C ATOM 464 O GLY A 22 -14.999 -5.730 -20.343 1.00 0.00 O ATOM 0 H GLY A 22 -12.786 -7.238 -17.363 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.370 -8.063 -19.030 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.674 -7.244 -18.194 1.00 0.00 H new ATOM 468 N ASP A 23 -13.467 -5.047 -18.896 1.00 0.00 N ATOM 469 CA ASP A 23 -13.178 -3.847 -19.654 1.00 0.00 C ATOM 470 C ASP A 23 -11.909 -4.087 -20.442 1.00 0.00 C ATOM 471 O ASP A 23 -10.822 -4.066 -19.898 1.00 0.00 O ATOM 472 CB ASP A 23 -12.977 -2.670 -18.692 1.00 0.00 C ATOM 473 CG ASP A 23 -13.912 -1.518 -19.072 1.00 0.00 C ATOM 474 OD1 ASP A 23 -13.713 -0.945 -20.131 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.811 -1.230 -18.300 1.00 0.00 O ATOM 0 H ASP A 23 -12.919 -5.154 -18.042 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.002 -3.612 -20.328 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.176 -2.988 -17.669 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.940 -2.335 -18.726 1.00 0.00 H new ATOM 480 N ILE A 24 -12.038 -4.332 -21.703 1.00 0.00 N ATOM 481 CA ILE A 24 -10.835 -4.594 -22.540 1.00 0.00 C ATOM 482 C ILE A 24 -10.145 -3.262 -22.841 1.00 0.00 C ATOM 483 O ILE A 24 -10.785 -2.234 -22.968 1.00 0.00 O ATOM 484 CB ILE A 24 -11.237 -5.322 -23.833 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.273 -6.434 -23.486 1.00 0.00 C ATOM 486 CG2 ILE A 24 -9.976 -5.943 -24.442 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.480 -7.389 -24.668 1.00 0.00 C ATOM 0 H ILE A 24 -12.928 -4.364 -22.201 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.139 -5.239 -22.005 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.687 -4.631 -24.546 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.930 -6.996 -22.617 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.224 -5.976 -23.214 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.236 -6.466 -25.362 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.254 -5.157 -24.663 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.540 -6.648 -23.735 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.208 -8.153 -24.395 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.847 -6.829 -25.528 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.533 -7.864 -24.922 1.00 0.00 H new ATOM 499 N LEU A 25 -8.838 -3.271 -22.920 1.00 0.00 N ATOM 500 CA LEU A 25 -8.083 -2.001 -23.173 1.00 0.00 C ATOM 501 C LEU A 25 -7.563 -1.972 -24.610 1.00 0.00 C ATOM 502 O LEU A 25 -7.497 -2.991 -25.277 1.00 0.00 O ATOM 503 CB LEU A 25 -6.879 -1.895 -22.197 1.00 0.00 C ATOM 504 CG LEU A 25 -7.243 -2.354 -20.748 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.627 -1.839 -20.326 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.220 -3.886 -20.662 1.00 0.00 C ATOM 0 H LEU A 25 -8.258 -4.104 -22.820 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.759 -1.161 -23.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.056 -2.504 -22.572 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.526 -0.864 -22.171 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.500 -1.934 -20.070 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.848 -2.177 -19.313 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.634 -0.749 -20.355 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.383 -2.225 -21.010 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.475 -4.197 -19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.945 -4.301 -21.362 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.224 -4.250 -20.914 1.00 0.00 H new ATOM 518 N LYS A 26 -7.178 -0.804 -25.085 1.00 0.00 N ATOM 519 CA LYS A 26 -6.644 -0.692 -26.492 1.00 0.00 C ATOM 520 C LYS A 26 -5.120 -0.599 -26.428 1.00 0.00 C ATOM 521 O LYS A 26 -4.561 0.472 -26.309 1.00 0.00 O ATOM 522 CB LYS A 26 -7.207 0.567 -27.154 1.00 0.00 C ATOM 523 CG LYS A 26 -7.342 0.339 -28.661 1.00 0.00 C ATOM 524 CD LYS A 26 -8.144 1.487 -29.278 1.00 0.00 C ATOM 525 CE LYS A 26 -9.633 1.276 -29.001 1.00 0.00 C ATOM 526 NZ LYS A 26 -10.173 0.251 -29.939 1.00 0.00 N ATOM 0 H LYS A 26 -7.209 0.072 -24.564 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.941 -1.564 -27.075 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.178 0.812 -26.725 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.550 1.416 -26.962 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.356 0.281 -29.121 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.840 -0.612 -28.853 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.817 2.439 -28.860 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.966 1.533 -30.352 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.780 0.954 -27.970 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.173 2.215 -29.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.213 0.275 -29.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.841 0.454 -30.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.843 -0.692 -29.650 1.00 0.00 H new ATOM 540 N VAL A 27 -4.445 -1.716 -26.480 1.00 0.00 N ATOM 541 CA VAL A 27 -2.961 -1.700 -26.379 1.00 0.00 C ATOM 542 C VAL A 27 -2.345 -0.903 -27.519 1.00 0.00 C ATOM 543 O VAL A 27 -2.148 -1.402 -28.611 1.00 0.00 O ATOM 544 CB VAL A 27 -2.424 -3.135 -26.391 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.921 -3.114 -26.081 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.159 -3.973 -25.320 1.00 0.00 C ATOM 0 H VAL A 27 -4.861 -2.641 -26.589 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.686 -1.219 -25.441 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.591 -3.579 -27.373 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.534 -4.133 -26.088 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.402 -2.523 -26.836 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.758 -2.671 -25.098 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.776 -4.993 -25.330 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.993 -3.533 -24.337 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.227 -3.985 -25.537 1.00 0.00 H new ATOM 556 N LEU A 28 -1.998 0.330 -27.250 1.00 0.00 N ATOM 557 CA LEU A 28 -1.340 1.174 -28.287 1.00 0.00 C ATOM 558 C LEU A 28 0.161 0.840 -28.290 1.00 0.00 C ATOM 559 O LEU A 28 0.892 1.266 -29.165 1.00 0.00 O ATOM 560 CB LEU A 28 -1.502 2.708 -27.999 1.00 0.00 C ATOM 561 CG LEU A 28 -2.655 3.006 -27.016 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.089 3.201 -25.600 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.372 4.288 -27.451 1.00 0.00 C ATOM 0 H LEU A 28 -2.144 0.789 -26.351 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.812 0.962 -29.246 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.570 3.098 -27.590 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.683 3.233 -28.937 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.356 2.171 -27.017 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.904 3.411 -24.908 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.572 2.294 -25.287 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.389 4.036 -25.600 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.187 4.502 -26.759 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.666 5.119 -27.448 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.774 4.157 -28.456 1.00 0.00 H new ATOM 575 N ASN A 29 0.636 0.081 -27.303 1.00 0.00 N ATOM 576 CA ASN A 29 2.084 -0.257 -27.262 1.00 0.00 C ATOM 577 C ASN A 29 2.315 -1.478 -26.365 1.00 0.00 C ATOM 578 O ASN A 29 1.758 -1.586 -25.278 1.00 0.00 O ATOM 579 CB ASN A 29 2.875 0.940 -26.712 1.00 0.00 C ATOM 580 CG ASN A 29 4.189 1.096 -27.491 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.634 0.177 -28.151 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.830 2.231 -27.441 1.00 0.00 N ATOM 0 H ASN A 29 0.077 -0.305 -26.543 1.00 0.00 H new ATOM 0 HA ASN A 29 2.424 -0.488 -28.272 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.281 1.850 -26.796 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.085 0.793 -25.652 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.703 2.347 -27.955 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.458 3.003 -26.888 1.00 0.00 H new ATOM 589 N GLU A 30 3.144 -2.389 -26.809 1.00 0.00 N ATOM 590 CA GLU A 30 3.443 -3.602 -25.997 1.00 0.00 C ATOM 591 C GLU A 30 4.942 -3.873 -26.047 1.00 0.00 C ATOM 592 O GLU A 30 5.387 -4.961 -26.369 1.00 0.00 O ATOM 593 CB GLU A 30 2.673 -4.804 -26.541 1.00 0.00 C ATOM 594 CG GLU A 30 2.962 -4.945 -28.024 1.00 0.00 C ATOM 595 CD GLU A 30 2.871 -6.417 -28.431 1.00 0.00 C ATOM 596 OE1 GLU A 30 1.905 -7.058 -28.049 1.00 0.00 O ATOM 597 OE2 GLU A 30 3.767 -6.877 -29.119 1.00 0.00 O ATOM 0 H GLU A 30 3.628 -2.342 -27.705 1.00 0.00 H new ATOM 0 HA GLU A 30 3.135 -3.436 -24.965 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.967 -5.711 -26.012 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.604 -4.672 -26.377 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.250 -4.354 -28.601 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.955 -4.557 -28.249 1.00 0.00 H new ATOM 604 N GLU A 31 5.718 -2.882 -25.721 1.00 0.00 N ATOM 605 CA GLU A 31 7.201 -3.040 -25.730 1.00 0.00 C ATOM 606 C GLU A 31 7.629 -3.743 -24.457 1.00 0.00 C ATOM 607 O GLU A 31 6.806 -4.116 -23.639 1.00 0.00 O ATOM 608 CB GLU A 31 7.862 -1.663 -25.792 1.00 0.00 C ATOM 609 CG GLU A 31 7.303 -0.878 -26.979 1.00 0.00 C ATOM 610 CD GLU A 31 8.040 0.456 -27.096 1.00 0.00 C ATOM 611 OE1 GLU A 31 9.209 0.435 -27.444 1.00 0.00 O ATOM 612 OE2 GLU A 31 7.425 1.476 -26.834 1.00 0.00 O ATOM 0 H GLU A 31 5.387 -1.957 -25.445 1.00 0.00 H new ATOM 0 HA GLU A 31 7.503 -3.626 -26.598 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.680 -1.119 -24.865 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.942 -1.771 -25.891 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.420 -1.453 -27.897 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.235 -0.706 -26.845 1.00 0.00 H new ATOM 619 N CYS A 32 8.912 -3.930 -24.275 1.00 0.00 N ATOM 620 CA CYS A 32 9.403 -4.616 -23.037 1.00 0.00 C ATOM 621 C CYS A 32 8.887 -3.880 -21.803 1.00 0.00 C ATOM 622 O CYS A 32 8.632 -2.689 -21.836 1.00 0.00 O ATOM 623 CB CYS A 32 10.923 -4.631 -23.003 1.00 0.00 C ATOM 624 SG CYS A 32 11.550 -5.744 -24.284 1.00 0.00 S ATOM 0 H CYS A 32 9.640 -3.639 -24.927 1.00 0.00 H new ATOM 0 HA CYS A 32 9.035 -5.642 -23.042 1.00 0.00 H new ATOM 0 HB2 CYS A 32 11.310 -3.624 -23.161 1.00 0.00 H new ATOM 0 HB3 CYS A 32 11.271 -4.956 -22.023 1.00 0.00 H new ATOM 0 HG CYS A 32 12.850 -5.752 -24.253 1.00 0.00 H new ATOM 630 N ASP A 33 8.720 -4.590 -20.723 1.00 0.00 N ATOM 631 CA ASP A 33 8.212 -3.988 -19.486 1.00 0.00 C ATOM 632 C ASP A 33 8.183 -5.043 -18.406 1.00 0.00 C ATOM 633 O ASP A 33 8.583 -6.174 -18.625 1.00 0.00 O ATOM 634 CB ASP A 33 6.801 -3.473 -19.740 1.00 0.00 C ATOM 635 CG ASP A 33 6.478 -2.311 -18.799 1.00 0.00 C ATOM 636 OD1 ASP A 33 7.351 -1.486 -18.587 1.00 0.00 O ATOM 637 OD2 ASP A 33 5.362 -2.264 -18.307 1.00 0.00 O ATOM 0 H ASP A 33 8.923 -5.587 -20.657 1.00 0.00 H new ATOM 0 HA ASP A 33 8.852 -3.164 -19.171 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.707 -3.147 -20.776 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.081 -4.279 -19.593 1.00 0.00 H new ATOM 642 N GLN A 34 7.718 -4.695 -17.238 1.00 0.00 N ATOM 643 CA GLN A 34 7.672 -5.683 -16.150 1.00 0.00 C ATOM 644 C GLN A 34 6.321 -6.422 -16.184 1.00 0.00 C ATOM 645 O GLN A 34 5.671 -6.566 -15.170 1.00 0.00 O ATOM 646 CB GLN A 34 7.843 -4.971 -14.805 1.00 0.00 C ATOM 647 CG GLN A 34 9.331 -4.774 -14.513 1.00 0.00 C ATOM 648 CD GLN A 34 9.499 -4.172 -13.117 1.00 0.00 C ATOM 649 OE1 GLN A 34 9.281 -2.994 -12.920 1.00 0.00 O ATOM 650 NE2 GLN A 34 9.879 -4.940 -12.131 1.00 0.00 N ATOM 0 H GLN A 34 7.370 -3.766 -17.000 1.00 0.00 H new ATOM 0 HA GLN A 34 8.479 -6.405 -16.278 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.336 -4.007 -14.826 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.381 -5.557 -14.011 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.855 -5.728 -14.575 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.776 -4.117 -15.260 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.062 -5.930 -12.297 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.993 -4.550 -11.195 1.00 0.00 H new ATOM 659 N ASN A 35 5.915 -6.900 -17.365 1.00 0.00 N ATOM 660 CA ASN A 35 4.614 -7.651 -17.548 1.00 0.00 C ATOM 661 C ASN A 35 3.387 -6.725 -17.504 1.00 0.00 C ATOM 662 O ASN A 35 2.314 -7.153 -17.167 1.00 0.00 O ATOM 663 CB ASN A 35 4.481 -8.729 -16.516 1.00 0.00 C ATOM 664 CG ASN A 35 5.088 -10.036 -17.038 1.00 0.00 C ATOM 665 OD1 ASN A 35 4.762 -10.480 -18.122 1.00 0.00 O ATOM 666 ND2 ASN A 35 5.963 -10.673 -16.309 1.00 0.00 N ATOM 0 H ASN A 35 6.452 -6.793 -18.226 1.00 0.00 H new ATOM 0 HA ASN A 35 4.646 -8.100 -18.541 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.983 -8.427 -15.597 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.430 -8.880 -16.270 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.373 -11.543 -16.649 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.237 -10.301 -15.400 1.00 0.00 H new ATOM 673 N TRP A 36 3.534 -5.494 -17.907 1.00 0.00 N ATOM 674 CA TRP A 36 2.341 -4.552 -17.973 1.00 0.00 C ATOM 675 C TRP A 36 2.268 -3.992 -19.408 1.00 0.00 C ATOM 676 O TRP A 36 3.261 -3.563 -19.965 1.00 0.00 O ATOM 677 CB TRP A 36 2.444 -3.347 -16.996 1.00 0.00 C ATOM 678 CG TRP A 36 2.627 -3.791 -15.561 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.562 -4.657 -15.143 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.898 -3.372 -14.347 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.458 -4.814 -13.771 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.461 -4.044 -13.237 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.816 -2.497 -14.098 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.990 -3.857 -11.938 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.341 -2.310 -12.780 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.932 -2.984 -11.708 1.00 0.00 C ATOM 0 H TRP A 36 4.422 -5.084 -18.197 1.00 0.00 H new ATOM 0 HA TRP A 36 1.457 -5.123 -17.688 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.282 -2.714 -17.289 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.543 -2.739 -17.075 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.282 -5.153 -15.776 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.056 -5.432 -13.222 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.351 -1.970 -14.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.445 -4.388 -11.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.487 -1.640 -12.600 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.568 -2.827 -10.703 1.00 0.00 H new ATOM 697 N TYR A 37 1.103 -3.996 -20.002 1.00 0.00 N ATOM 698 CA TYR A 37 0.949 -3.466 -21.405 1.00 0.00 C ATOM 699 C TYR A 37 0.832 -1.945 -21.368 1.00 0.00 C ATOM 700 O TYR A 37 0.890 -1.345 -20.335 1.00 0.00 O ATOM 701 CB TYR A 37 -0.358 -3.992 -22.018 1.00 0.00 C ATOM 702 CG TYR A 37 -0.232 -5.437 -22.439 1.00 0.00 C ATOM 703 CD1 TYR A 37 0.861 -5.864 -23.205 1.00 0.00 C ATOM 704 CD2 TYR A 37 -1.235 -6.347 -22.082 1.00 0.00 C ATOM 705 CE1 TYR A 37 0.951 -7.202 -23.608 1.00 0.00 C ATOM 706 CE2 TYR A 37 -1.150 -7.679 -22.487 1.00 0.00 C ATOM 707 CZ TYR A 37 -0.056 -8.111 -23.251 1.00 0.00 C ATOM 708 OH TYR A 37 0.029 -9.429 -23.652 1.00 0.00 O ATOM 0 H TYR A 37 0.242 -4.344 -19.579 1.00 0.00 H new ATOM 0 HA TYR A 37 1.814 -3.783 -21.988 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.166 -3.893 -21.294 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.627 -3.383 -22.881 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.633 -5.162 -23.484 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.077 -6.016 -21.491 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.796 -7.534 -24.194 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.926 -8.378 -22.212 1.00 0.00 H new ATOM 0 HH TYR A 37 0.319 -9.468 -24.587 1.00 0.00 H new ATOM 718 N LYS A 38 0.622 -1.337 -22.510 1.00 0.00 N ATOM 719 CA LYS A 38 0.432 0.136 -22.591 1.00 0.00 C ATOM 720 C LYS A 38 -0.815 0.345 -23.459 1.00 0.00 C ATOM 721 O LYS A 38 -0.733 0.354 -24.663 1.00 0.00 O ATOM 722 CB LYS A 38 1.650 0.765 -23.258 1.00 0.00 C ATOM 723 CG LYS A 38 1.551 2.277 -23.165 1.00 0.00 C ATOM 724 CD LYS A 38 1.042 2.850 -24.497 1.00 0.00 C ATOM 725 CE LYS A 38 1.942 4.001 -24.932 1.00 0.00 C ATOM 726 NZ LYS A 38 1.447 4.566 -26.221 1.00 0.00 N ATOM 0 H LYS A 38 0.574 -1.817 -23.409 1.00 0.00 H new ATOM 0 HA LYS A 38 0.314 0.593 -21.608 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.563 0.419 -22.774 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.706 0.457 -24.302 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.875 2.557 -22.357 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.527 2.700 -22.926 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.034 2.072 -25.260 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.015 3.199 -24.386 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.955 4.776 -24.165 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.967 3.650 -25.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.101 5.305 -26.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.393 3.810 -26.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.502 4.977 -26.080 1.00 0.00 H new ATOM 740 N ALA A 39 -1.980 0.426 -22.855 1.00 0.00 N ATOM 741 CA ALA A 39 -3.244 0.528 -23.666 1.00 0.00 C ATOM 742 C ALA A 39 -4.055 1.750 -23.360 1.00 0.00 C ATOM 743 O ALA A 39 -3.617 2.660 -22.689 1.00 0.00 O ATOM 744 CB ALA A 39 -4.053 -0.722 -23.404 1.00 0.00 C ATOM 0 H ALA A 39 -2.112 0.426 -21.844 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.972 0.619 -24.718 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.979 -0.683 -23.977 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.477 -1.598 -23.704 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.286 -0.788 -22.341 1.00 0.00 H new ATOM 750 N GLU A 40 -5.236 1.802 -23.932 1.00 0.00 N ATOM 751 CA GLU A 40 -6.069 2.984 -23.773 1.00 0.00 C ATOM 752 C GLU A 40 -7.561 2.640 -23.775 1.00 0.00 C ATOM 753 O GLU A 40 -8.069 1.932 -24.617 1.00 0.00 O ATOM 754 CB GLU A 40 -5.680 3.953 -24.903 1.00 0.00 C ATOM 755 CG GLU A 40 -6.821 4.180 -25.923 1.00 0.00 C ATOM 756 CD GLU A 40 -6.395 5.225 -26.955 1.00 0.00 C ATOM 757 OE1 GLU A 40 -5.693 6.150 -26.578 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.780 5.085 -28.105 1.00 0.00 O ATOM 0 H GLU A 40 -5.640 1.059 -24.502 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.898 3.451 -22.803 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.391 4.911 -24.470 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.806 3.563 -25.424 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.067 3.242 -26.422 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.722 4.512 -25.407 1.00 0.00 H new ATOM 765 N LEU A 41 -8.233 3.189 -22.843 1.00 0.00 N ATOM 766 CA LEU A 41 -9.703 2.968 -22.719 1.00 0.00 C ATOM 767 C LEU A 41 -10.490 4.109 -23.268 1.00 0.00 C ATOM 768 O LEU A 41 -10.780 5.084 -22.610 1.00 0.00 O ATOM 769 CB LEU A 41 -10.090 2.721 -21.277 1.00 0.00 C ATOM 770 CG LEU A 41 -10.019 1.240 -21.031 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.831 0.964 -19.534 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.316 0.605 -21.532 1.00 0.00 C ATOM 0 H LEU A 41 -7.833 3.802 -22.132 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.941 2.084 -23.310 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.417 3.253 -20.604 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.096 3.093 -21.082 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.170 0.812 -21.563 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.781 -0.112 -19.366 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.906 1.428 -19.192 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.672 1.379 -18.979 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.284 -0.471 -21.362 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.162 1.032 -20.993 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.429 0.801 -22.598 1.00 0.00 H new ATOM 784 N ASN A 42 -10.892 3.936 -24.472 1.00 0.00 N ATOM 785 CA ASN A 42 -11.743 4.933 -25.176 1.00 0.00 C ATOM 786 C ASN A 42 -11.321 6.404 -24.928 1.00 0.00 C ATOM 787 O ASN A 42 -12.135 7.306 -25.053 1.00 0.00 O ATOM 788 CB ASN A 42 -13.158 4.758 -24.682 1.00 0.00 C ATOM 789 CG ASN A 42 -13.899 3.749 -25.563 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.688 3.700 -26.758 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.762 2.935 -25.020 1.00 0.00 N ATOM 0 H ASN A 42 -10.663 3.114 -25.031 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.639 4.752 -26.246 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.151 4.414 -23.648 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.678 5.716 -24.696 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.259 2.258 -25.599 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.940 2.976 -24.016 1.00 0.00 H new ATOM 798 N GLY A 43 -10.094 6.654 -24.588 1.00 0.00 N ATOM 799 CA GLY A 43 -9.660 8.070 -24.340 1.00 0.00 C ATOM 800 C GLY A 43 -8.508 8.091 -23.339 1.00 0.00 C ATOM 801 O GLY A 43 -7.554 8.832 -23.499 1.00 0.00 O ATOM 0 H GLY A 43 -9.367 5.949 -24.469 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.349 8.534 -25.276 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.497 8.655 -23.958 1.00 0.00 H new ATOM 805 N LYS A 44 -8.573 7.267 -22.317 1.00 0.00 N ATOM 806 CA LYS A 44 -7.496 7.215 -21.342 1.00 0.00 C ATOM 807 C LYS A 44 -6.462 6.287 -21.863 1.00 0.00 C ATOM 808 O LYS A 44 -6.678 5.583 -22.829 1.00 0.00 O ATOM 809 CB LYS A 44 -7.999 6.703 -20.005 1.00 0.00 C ATOM 810 CG LYS A 44 -8.460 7.881 -19.165 1.00 0.00 C ATOM 811 CD LYS A 44 -9.711 8.511 -19.787 1.00 0.00 C ATOM 812 CE LYS A 44 -10.853 7.489 -19.801 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.162 8.201 -19.744 1.00 0.00 N ATOM 0 H LYS A 44 -9.348 6.629 -22.137 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.091 8.215 -21.190 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.821 6.003 -20.155 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.208 6.159 -19.489 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.676 7.551 -18.149 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.665 8.623 -19.097 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.007 9.393 -19.219 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.496 8.844 -20.802 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.798 6.880 -20.703 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.759 6.812 -18.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.936 7.506 -19.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.213 8.764 -18.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.251 8.830 -20.567 1.00 0.00 H new ATOM 827 N ASP A 45 -5.341 6.283 -21.249 1.00 0.00 N ATOM 828 CA ASP A 45 -4.266 5.415 -21.700 1.00 0.00 C ATOM 829 C ASP A 45 -3.159 5.267 -20.640 1.00 0.00 C ATOM 830 O ASP A 45 -3.208 5.852 -19.575 1.00 0.00 O ATOM 831 CB ASP A 45 -3.732 6.006 -23.021 1.00 0.00 C ATOM 832 CG ASP A 45 -2.508 6.928 -22.813 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.569 7.770 -21.933 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.539 6.767 -23.537 1.00 0.00 O ATOM 0 H ASP A 45 -5.121 6.858 -20.436 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.638 4.404 -21.863 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.459 5.193 -23.693 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.527 6.570 -23.509 1.00 0.00 H new ATOM 839 N GLY A 46 -2.155 4.493 -20.964 1.00 0.00 N ATOM 840 CA GLY A 46 -1.014 4.293 -20.033 1.00 0.00 C ATOM 841 C GLY A 46 -0.709 2.810 -19.870 1.00 0.00 C ATOM 842 O GLY A 46 -1.152 1.986 -20.646 1.00 0.00 O ATOM 0 H GLY A 46 -2.080 3.987 -21.846 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.133 4.811 -20.412 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.248 4.730 -19.063 1.00 0.00 H new ATOM 846 N PHE A 47 0.072 2.471 -18.872 1.00 0.00 N ATOM 847 CA PHE A 47 0.443 1.045 -18.659 1.00 0.00 C ATOM 848 C PHE A 47 -0.674 0.300 -17.921 1.00 0.00 C ATOM 849 O PHE A 47 -1.589 0.903 -17.404 1.00 0.00 O ATOM 850 CB PHE A 47 1.733 0.973 -17.841 1.00 0.00 C ATOM 851 CG PHE A 47 2.908 1.301 -18.731 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.465 0.309 -19.546 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.439 2.596 -18.741 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.554 0.611 -20.372 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.527 2.899 -19.567 1.00 0.00 C ATOM 856 CZ PHE A 47 5.084 1.907 -20.383 1.00 0.00 C ATOM 0 H PHE A 47 0.467 3.125 -18.197 1.00 0.00 H new ATOM 0 HA PHE A 47 0.593 0.573 -19.630 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.688 1.673 -17.007 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.852 -0.023 -17.415 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.054 -0.690 -19.538 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.009 3.361 -18.111 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.985 -0.155 -21.000 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.937 3.898 -19.575 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.923 2.142 -21.021 1.00 0.00 H new ATOM 866 N ILE A 48 -0.595 -1.017 -17.864 1.00 0.00 N ATOM 867 CA ILE A 48 -1.638 -1.809 -17.156 1.00 0.00 C ATOM 868 C ILE A 48 -1.028 -3.176 -16.774 1.00 0.00 C ATOM 869 O ILE A 48 -0.366 -3.773 -17.583 1.00 0.00 O ATOM 870 CB ILE A 48 -2.841 -2.041 -18.084 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.349 -2.564 -19.447 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.596 -0.728 -18.280 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.544 -2.873 -20.358 1.00 0.00 C ATOM 0 H ILE A 48 0.154 -1.569 -18.282 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.972 -1.272 -16.268 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.508 -2.777 -17.635 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.705 -1.822 -19.919 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.749 -3.463 -19.305 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.449 -0.893 -18.938 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.948 -0.363 -17.315 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.931 0.011 -18.727 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.184 -3.242 -21.318 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.172 -3.632 -19.890 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.127 -1.965 -20.514 1.00 0.00 H new ATOM 885 N PRO A 49 -1.265 -3.651 -15.562 1.00 0.00 N ATOM 886 CA PRO A 49 -0.723 -4.943 -15.141 1.00 0.00 C ATOM 887 C PRO A 49 -1.377 -6.075 -15.910 1.00 0.00 C ATOM 888 O PRO A 49 -2.538 -6.345 -15.775 1.00 0.00 O ATOM 889 CB PRO A 49 -0.999 -5.011 -13.640 1.00 0.00 C ATOM 890 CG PRO A 49 -2.141 -3.991 -13.370 1.00 0.00 C ATOM 891 CD PRO A 49 -2.080 -2.974 -14.538 1.00 0.00 C ATOM 0 HA PRO A 49 0.343 -5.043 -15.345 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.295 -6.017 -13.343 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.107 -4.759 -13.067 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.110 -4.489 -13.334 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.003 -3.494 -12.410 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.076 -2.738 -14.913 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.626 -2.034 -14.225 1.00 0.00 H new ATOM 899 N LYS A 50 -0.599 -6.704 -16.741 1.00 0.00 N ATOM 900 CA LYS A 50 -1.069 -7.830 -17.599 1.00 0.00 C ATOM 901 C LYS A 50 -1.706 -8.968 -16.780 1.00 0.00 C ATOM 902 O LYS A 50 -2.373 -9.817 -17.337 1.00 0.00 O ATOM 903 CB LYS A 50 0.147 -8.369 -18.322 1.00 0.00 C ATOM 904 CG LYS A 50 -0.260 -9.197 -19.521 1.00 0.00 C ATOM 905 CD LYS A 50 0.997 -9.466 -20.358 1.00 0.00 C ATOM 906 CE LYS A 50 0.926 -10.872 -20.961 1.00 0.00 C ATOM 907 NZ LYS A 50 2.278 -11.498 -20.925 1.00 0.00 N ATOM 0 H LYS A 50 0.387 -6.475 -16.867 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.834 -7.461 -18.282 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.780 -7.542 -18.644 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.741 -8.977 -17.640 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.713 -10.135 -19.201 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.007 -8.669 -20.114 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.083 -8.724 -21.152 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.887 -9.371 -19.736 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.216 -11.483 -20.403 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.565 -10.821 -21.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.230 -12.453 -21.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.944 -10.919 -21.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.606 -11.560 -19.940 1.00 0.00 H new ATOM 921 N ASN A 51 -1.496 -9.012 -15.483 1.00 0.00 N ATOM 922 CA ASN A 51 -2.081 -10.080 -14.670 1.00 0.00 C ATOM 923 C ASN A 51 -3.601 -9.956 -14.677 1.00 0.00 C ATOM 924 O ASN A 51 -4.320 -10.937 -14.631 1.00 0.00 O ATOM 925 CB ASN A 51 -1.545 -9.956 -13.282 1.00 0.00 C ATOM 926 CG ASN A 51 -0.263 -10.779 -13.138 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.446 -10.994 -14.101 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.066 -11.253 -11.968 1.00 0.00 N ATOM 0 H ASN A 51 -0.934 -8.336 -14.965 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.820 -11.058 -15.075 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.342 -8.910 -13.054 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.290 -10.300 -12.564 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.918 -11.804 -11.862 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.529 -11.073 -11.159 1.00 0.00 H new ATOM 935 N TYR A 52 -4.088 -8.754 -14.776 1.00 0.00 N ATOM 936 CA TYR A 52 -5.551 -8.516 -14.836 1.00 0.00 C ATOM 937 C TYR A 52 -5.940 -8.346 -16.283 1.00 0.00 C ATOM 938 O TYR A 52 -6.893 -7.650 -16.597 1.00 0.00 O ATOM 939 CB TYR A 52 -5.882 -7.216 -14.098 1.00 0.00 C ATOM 940 CG TYR A 52 -5.806 -7.381 -12.643 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.616 -7.750 -12.033 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.925 -7.112 -11.893 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.560 -7.851 -10.659 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.883 -7.215 -10.530 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.700 -7.583 -9.896 1.00 0.00 C ATOM 946 OH TYR A 52 -5.656 -7.677 -8.526 1.00 0.00 O ATOM 0 H TYR A 52 -3.519 -7.908 -14.819 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.084 -9.351 -14.381 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.191 -6.434 -14.412 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.883 -6.886 -14.375 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.740 -7.957 -12.630 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.842 -6.818 -12.382 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.638 -8.136 -10.174 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.768 -7.011 -9.946 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.081 -6.887 -8.130 1.00 0.00 H new ATOM 956 N ILE A 53 -5.197 -8.943 -17.185 1.00 0.00 N ATOM 957 CA ILE A 53 -5.516 -8.776 -18.603 1.00 0.00 C ATOM 958 C ILE A 53 -4.959 -9.925 -19.438 1.00 0.00 C ATOM 959 O ILE A 53 -4.196 -10.754 -18.981 1.00 0.00 O ATOM 960 CB ILE A 53 -4.916 -7.466 -19.167 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.425 -6.536 -18.052 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.960 -6.724 -19.996 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.730 -5.341 -18.670 1.00 0.00 C ATOM 0 H ILE A 53 -4.390 -9.533 -16.983 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.604 -8.753 -18.667 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.065 -7.745 -19.788 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.265 -6.207 -17.440 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.740 -7.069 -17.393 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.527 -5.804 -20.388 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.282 -7.355 -20.824 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.818 -6.483 -19.369 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.379 -4.676 -17.881 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.881 -5.681 -19.263 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.429 -4.805 -19.311 1.00 0.00 H new ATOM 975 N GLU A 54 -5.306 -9.909 -20.686 1.00 0.00 N ATOM 976 CA GLU A 54 -4.814 -10.889 -21.643 1.00 0.00 C ATOM 977 C GLU A 54 -4.815 -10.200 -22.995 1.00 0.00 C ATOM 978 O GLU A 54 -5.610 -9.323 -23.227 1.00 0.00 O ATOM 979 CB GLU A 54 -5.706 -12.098 -21.682 1.00 0.00 C ATOM 980 CG GLU A 54 -5.130 -13.197 -20.788 1.00 0.00 C ATOM 981 CD GLU A 54 -4.204 -14.093 -21.612 1.00 0.00 C ATOM 982 OE1 GLU A 54 -3.108 -13.655 -21.921 1.00 0.00 O ATOM 983 OE2 GLU A 54 -4.608 -15.201 -21.922 1.00 0.00 O ATOM 0 H GLU A 54 -5.941 -9.218 -21.086 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.818 -11.234 -21.366 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.709 -11.832 -21.347 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.798 -12.460 -22.706 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.580 -12.754 -19.958 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.937 -13.789 -20.356 1.00 0.00 H new ATOM 990 N MET A 55 -3.932 -10.567 -23.863 1.00 0.00 N ATOM 991 CA MET A 55 -3.856 -9.873 -25.210 1.00 0.00 C ATOM 992 C MET A 55 -4.706 -10.570 -26.260 1.00 0.00 C ATOM 993 O MET A 55 -4.404 -11.662 -26.707 1.00 0.00 O ATOM 994 CB MET A 55 -2.396 -9.789 -25.704 1.00 0.00 C ATOM 995 CG MET A 55 -1.655 -11.085 -25.399 1.00 0.00 C ATOM 996 SD MET A 55 -0.229 -11.250 -26.503 1.00 0.00 S ATOM 997 CE MET A 55 -0.065 -13.050 -26.396 1.00 0.00 C ATOM 0 H MET A 55 -3.251 -11.313 -23.720 1.00 0.00 H new ATOM 0 HA MET A 55 -4.249 -8.867 -25.066 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.379 -9.597 -26.777 1.00 0.00 H new ATOM 0 HB3 MET A 55 -1.890 -8.952 -25.223 1.00 0.00 H new ATOM 0 HG2 MET A 55 -1.325 -11.090 -24.360 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.325 -11.936 -25.525 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.772 -13.376 -27.014 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.114 -13.338 -25.360 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.982 -13.521 -26.750 1.00 0.00 H new ATOM 1007 N LYS A 56 -5.776 -9.925 -26.659 1.00 0.00 N ATOM 1008 CA LYS A 56 -6.662 -10.478 -27.656 1.00 0.00 C ATOM 1009 C LYS A 56 -6.667 -9.607 -28.914 1.00 0.00 C ATOM 1010 O LYS A 56 -6.257 -8.450 -28.878 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.038 -10.515 -27.067 1.00 0.00 C ATOM 1012 CG LYS A 56 -8.231 -11.843 -26.361 1.00 0.00 C ATOM 1013 CD LYS A 56 -9.573 -11.862 -25.609 1.00 0.00 C ATOM 1014 CE LYS A 56 -10.720 -11.566 -26.582 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.022 -11.632 -25.857 1.00 0.00 N ATOM 0 H LYS A 56 -6.056 -9.010 -26.306 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.330 -11.477 -27.938 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.171 -9.692 -26.365 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.787 -10.391 -27.849 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.203 -12.655 -27.087 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.413 -12.012 -25.661 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.724 -12.835 -25.141 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.562 -11.121 -24.809 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.589 -10.579 -27.025 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.711 -12.286 -27.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.799 -11.431 -26.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.147 -12.583 -25.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.029 -10.928 -25.091 1.00 0.00 H new ATOM 1029 N PRO A 57 -7.139 -10.192 -30.008 1.00 0.00 N ATOM 1030 CA PRO A 57 -7.202 -9.499 -31.269 1.00 0.00 C ATOM 1031 C PRO A 57 -8.376 -8.515 -31.288 1.00 0.00 C ATOM 1032 O PRO A 57 -8.949 -8.204 -30.259 1.00 0.00 O ATOM 1033 CB PRO A 57 -7.392 -10.600 -32.300 1.00 0.00 C ATOM 1034 CG PRO A 57 -7.979 -11.794 -31.537 1.00 0.00 C ATOM 1035 CD PRO A 57 -7.643 -11.580 -30.061 1.00 0.00 C ATOM 0 HA PRO A 57 -6.309 -8.906 -31.464 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.063 -10.278 -33.097 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.444 -10.864 -32.769 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.057 -11.855 -31.684 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.555 -12.731 -31.899 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.521 -11.710 -29.429 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.893 -12.291 -29.715 1.00 0.00 H new ATOM 1043 N HIS A 58 -8.742 -8.031 -32.450 1.00 0.00 N ATOM 1044 CA HIS A 58 -9.887 -7.072 -32.541 1.00 0.00 C ATOM 1045 C HIS A 58 -10.784 -7.466 -33.738 1.00 0.00 C ATOM 1046 O HIS A 58 -10.274 -7.872 -34.763 1.00 0.00 O ATOM 1047 CB HIS A 58 -9.360 -5.643 -32.747 1.00 0.00 C ATOM 1048 CG HIS A 58 -8.358 -5.622 -33.871 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -8.630 -5.028 -35.094 1.00 0.00 N ATOM 1050 CD2 HIS A 58 -7.082 -6.115 -33.969 1.00 0.00 C ATOM 1051 CE1 HIS A 58 -7.538 -5.177 -35.868 1.00 0.00 C ATOM 1052 NE2 HIS A 58 -6.565 -5.834 -35.229 1.00 0.00 N ATOM 0 H HIS A 58 -8.297 -8.259 -33.339 1.00 0.00 H new ATOM 0 HA HIS A 58 -10.463 -7.109 -31.617 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.187 -4.970 -32.973 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.897 -5.281 -31.829 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.498 -4.563 -35.359 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -6.558 -6.642 -33.186 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -7.458 -4.811 -36.881 1.00 0.00 H new ATOM 1060 N PRO A 59 -12.106 -7.341 -33.586 1.00 0.00 N ATOM 1061 CA PRO A 59 -13.038 -7.690 -34.664 1.00 0.00 C ATOM 1062 C PRO A 59 -13.084 -6.569 -35.716 1.00 0.00 C ATOM 1063 O PRO A 59 -12.464 -6.665 -36.760 1.00 0.00 O ATOM 1064 CB PRO A 59 -14.388 -7.841 -33.950 1.00 0.00 C ATOM 1065 CG PRO A 59 -14.278 -7.025 -32.632 1.00 0.00 C ATOM 1066 CD PRO A 59 -12.771 -6.850 -32.353 1.00 0.00 C ATOM 0 HA PRO A 59 -12.752 -8.594 -35.201 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.201 -7.467 -34.572 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.603 -8.889 -33.742 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.769 -6.057 -32.732 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.767 -7.547 -31.810 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.522 -5.807 -32.156 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.460 -7.422 -31.479 1.00 0.00 H new ATOM 1074 N GLU A 60 -13.810 -5.506 -35.447 1.00 0.00 N ATOM 1075 CA GLU A 60 -13.895 -4.380 -36.426 1.00 0.00 C ATOM 1076 C GLU A 60 -14.391 -3.122 -35.704 1.00 0.00 C ATOM 1077 O GLU A 60 -13.627 -2.217 -35.420 1.00 0.00 O ATOM 1078 CB GLU A 60 -14.873 -4.749 -37.551 1.00 0.00 C ATOM 1079 CG GLU A 60 -14.093 -5.195 -38.791 1.00 0.00 C ATOM 1080 CD GLU A 60 -15.054 -5.331 -39.975 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -15.768 -6.318 -40.021 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -15.060 -4.443 -40.812 1.00 0.00 O ATOM 0 H GLU A 60 -14.346 -5.373 -34.590 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.911 -4.191 -36.855 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.537 -5.548 -37.221 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.502 -3.892 -37.794 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.313 -4.470 -39.023 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.597 -6.147 -38.600 1.00 0.00 H new ATOM 1089 N PHE A 61 -15.669 -3.060 -35.404 1.00 0.00 N ATOM 1090 CA PHE A 61 -16.221 -1.865 -34.699 1.00 0.00 C ATOM 1091 C PHE A 61 -17.140 -2.323 -33.547 1.00 0.00 C ATOM 1092 O PHE A 61 -16.702 -2.456 -32.420 1.00 0.00 O ATOM 1093 CB PHE A 61 -17.005 -1.001 -35.695 1.00 0.00 C ATOM 1094 CG PHE A 61 -16.044 -0.150 -36.490 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -15.543 1.037 -35.944 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -15.655 -0.548 -37.775 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -14.654 1.827 -36.681 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -14.766 0.241 -38.514 1.00 0.00 C ATOM 1099 CZ PHE A 61 -14.266 1.430 -37.967 1.00 0.00 C ATOM 0 H PHE A 61 -16.351 -3.788 -35.619 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.405 -1.274 -34.284 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -17.585 -1.636 -36.365 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -17.714 -0.367 -35.163 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -15.843 1.344 -34.953 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -16.041 -1.464 -38.196 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -14.267 2.743 -36.259 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -14.466 -0.066 -39.505 1.00 0.00 H new ATOM 0 HZ PHE A 61 -13.581 2.041 -38.537 1.00 0.00 H new ATOM 1109 N ILE A 62 -18.409 -2.571 -33.822 1.00 0.00 N ATOM 1110 CA ILE A 62 -19.343 -3.024 -32.737 1.00 0.00 C ATOM 1111 C ILE A 62 -20.539 -3.768 -33.349 1.00 0.00 C ATOM 1112 O ILE A 62 -20.981 -4.776 -32.828 1.00 0.00 O ATOM 1113 CB ILE A 62 -19.852 -1.814 -31.926 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -20.277 -0.679 -32.878 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -18.739 -1.316 -30.999 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -20.839 0.496 -32.069 1.00 0.00 C ATOM 0 H ILE A 62 -18.832 -2.479 -34.746 1.00 0.00 H new ATOM 0 HA ILE A 62 -18.800 -3.695 -32.072 1.00 0.00 H new ATOM 0 HB ILE A 62 -20.713 -2.120 -31.332 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -19.423 -0.349 -33.469 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -21.029 -1.042 -33.579 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -19.098 -0.461 -30.426 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -18.449 -2.115 -30.316 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -17.876 -1.017 -31.594 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -21.138 1.295 -32.747 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -21.705 0.163 -31.497 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -20.074 0.867 -31.386 1.00 0.00 H new ATOM 1128 N VAL A 63 -21.072 -3.277 -34.450 1.00 0.00 N ATOM 1129 CA VAL A 63 -22.243 -3.956 -35.092 1.00 0.00 C ATOM 1130 C VAL A 63 -23.410 -4.025 -34.097 1.00 0.00 C ATOM 1131 O VAL A 63 -23.661 -5.051 -33.491 1.00 0.00 O ATOM 1132 CB VAL A 63 -21.845 -5.373 -35.516 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -22.991 -6.014 -36.300 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -20.599 -5.306 -36.400 1.00 0.00 C ATOM 0 H VAL A 63 -20.745 -2.437 -34.928 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.552 -3.389 -35.970 1.00 0.00 H new ATOM 0 HB VAL A 63 -21.633 -5.972 -34.630 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -22.707 -7.022 -36.601 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -23.880 -6.060 -35.672 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -23.204 -5.417 -37.187 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -20.313 -6.313 -36.703 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.813 -4.707 -37.285 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.781 -4.850 -35.842 1.00 0.00 H new ATOM 1144 N THR A 64 -24.122 -2.937 -33.927 1.00 0.00 N ATOM 1145 CA THR A 64 -25.272 -2.928 -32.973 1.00 0.00 C ATOM 1146 C THR A 64 -26.485 -3.591 -33.628 1.00 0.00 C ATOM 1147 O THR A 64 -26.904 -4.664 -33.233 1.00 0.00 O ATOM 1148 CB THR A 64 -25.618 -1.482 -32.603 1.00 0.00 C ATOM 1149 OG1 THR A 64 -25.438 -0.648 -33.741 1.00 0.00 O ATOM 1150 CG2 THR A 64 -24.703 -1.010 -31.473 1.00 0.00 C ATOM 0 H THR A 64 -23.955 -2.054 -34.409 1.00 0.00 H new ATOM 0 HA THR A 64 -25.000 -3.478 -32.072 1.00 0.00 H new ATOM 0 HB THR A 64 -26.656 -1.429 -32.273 1.00 0.00 H new ATOM 0 HG1 THR A 64 -25.660 0.277 -33.507 1.00 0.00 H new ATOM 0 HG21 THR A 64 -24.950 0.019 -31.211 1.00 0.00 H new ATOM 0 HG22 THR A 64 -24.841 -1.650 -30.602 1.00 0.00 H new ATOM 0 HG23 THR A 64 -23.665 -1.062 -31.800 1.00 0.00 H new ATOM 1158 N ASP A 65 -27.053 -2.957 -34.625 1.00 0.00 N ATOM 1159 CA ASP A 65 -28.242 -3.545 -35.311 1.00 0.00 C ATOM 1160 C ASP A 65 -28.395 -2.916 -36.698 1.00 0.00 C ATOM 1161 O ASP A 65 -27.898 -1.818 -36.887 1.00 0.00 O ATOM 1162 CB ASP A 65 -29.499 -3.262 -34.484 1.00 0.00 C ATOM 1163 CG ASP A 65 -29.648 -4.332 -33.401 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -30.260 -5.349 -33.682 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -29.149 -4.115 -32.309 1.00 0.00 O ATOM 1166 OXT ASP A 65 -29.004 -3.544 -37.548 1.00 0.00 O ATOM 0 H ASP A 65 -26.743 -2.057 -34.992 1.00 0.00 H new ATOM 0 HA ASP A 65 -28.106 -4.622 -35.413 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -29.432 -2.274 -34.028 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -30.378 -3.257 -35.129 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -4.230 -19.354 -0.857 1.00 0.00 N ATOM 1173 CA SER B 1 -3.807 -17.924 -0.807 1.00 0.00 C ATOM 1174 C SER B 1 -3.724 -17.364 -2.244 1.00 0.00 C ATOM 1175 O SER B 1 -2.648 -17.285 -2.805 1.00 0.00 O ATOM 1176 CB SER B 1 -2.435 -17.819 -0.133 1.00 0.00 C ATOM 1177 OG SER B 1 -2.328 -18.818 0.874 1.00 0.00 O ATOM 0 H1 SER B 1 -5.238 -19.426 -0.613 1.00 0.00 H new ATOM 0 H2 SER B 1 -4.078 -19.728 -1.816 1.00 0.00 H new ATOM 0 H3 SER B 1 -3.669 -19.906 -0.177 1.00 0.00 H new ATOM 0 HA SER B 1 -4.534 -17.348 -0.235 1.00 0.00 H new ATOM 0 HB2 SER B 1 -1.644 -17.945 -0.872 1.00 0.00 H new ATOM 0 HB3 SER B 1 -2.307 -16.829 0.305 1.00 0.00 H new ATOM 0 HG SER B 1 -1.451 -18.754 1.306 1.00 0.00 H new ATOM 1185 N PRO B 2 -4.869 -16.986 -2.812 1.00 0.00 N ATOM 1186 CA PRO B 2 -4.913 -16.440 -4.173 1.00 0.00 C ATOM 1187 C PRO B 2 -4.452 -14.982 -4.177 1.00 0.00 C ATOM 1188 O PRO B 2 -3.497 -14.626 -4.844 1.00 0.00 O ATOM 1189 CB PRO B 2 -6.388 -16.547 -4.567 1.00 0.00 C ATOM 1190 CG PRO B 2 -7.192 -16.611 -3.239 1.00 0.00 C ATOM 1191 CD PRO B 2 -6.196 -17.071 -2.153 1.00 0.00 C ATOM 0 HA PRO B 2 -4.258 -16.970 -4.865 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -6.694 -15.689 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.565 -17.436 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -7.614 -15.637 -2.992 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -8.026 -17.308 -3.322 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -6.244 -16.431 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -6.411 -18.087 -1.821 1.00 0.00 H new ATOM 1199 N LEU B 3 -5.125 -14.131 -3.436 1.00 0.00 N ATOM 1200 CA LEU B 3 -4.730 -12.687 -3.393 1.00 0.00 C ATOM 1201 C LEU B 3 -4.776 -12.102 -4.812 1.00 0.00 C ATOM 1202 O LEU B 3 -3.827 -12.218 -5.568 1.00 0.00 O ATOM 1203 CB LEU B 3 -3.305 -12.562 -2.830 1.00 0.00 C ATOM 1204 CG LEU B 3 -3.219 -11.349 -1.898 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -1.915 -11.410 -1.100 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -3.248 -10.061 -2.727 1.00 0.00 C ATOM 0 H LEU B 3 -5.930 -14.375 -2.860 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.421 -12.139 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -3.038 -13.469 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -2.590 -12.457 -3.646 1.00 0.00 H new ATOM 0 HG LEU B 3 -4.067 -11.359 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -1.854 -10.547 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -1.893 -12.325 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -1.068 -11.401 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -3.187 -9.199 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -2.401 -10.051 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -4.177 -10.015 -3.296 1.00 0.00 H new ATOM 1218 N LEU B 4 -5.872 -11.479 -5.177 1.00 0.00 N ATOM 1219 CA LEU B 4 -5.978 -10.892 -6.545 1.00 0.00 C ATOM 1220 C LEU B 4 -5.173 -9.568 -6.612 1.00 0.00 C ATOM 1221 O LEU B 4 -4.305 -9.437 -7.452 1.00 0.00 O ATOM 1222 CB LEU B 4 -7.460 -10.623 -6.886 1.00 0.00 C ATOM 1223 CG LEU B 4 -7.843 -11.339 -8.191 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -9.328 -11.092 -8.495 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -6.990 -10.797 -9.345 1.00 0.00 C ATOM 0 H LEU B 4 -6.694 -11.353 -4.586 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.568 -11.596 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -8.097 -10.970 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.628 -9.551 -6.988 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.666 -12.409 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -9.599 -11.600 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -9.936 -11.479 -7.677 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -9.504 -10.022 -8.603 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.263 -11.306 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -7.164 -9.727 -9.455 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -5.936 -10.973 -9.132 1.00 0.00 H new ATOM 1237 N PRO B 5 -5.480 -8.613 -5.724 1.00 0.00 N ATOM 1238 CA PRO B 5 -4.780 -7.317 -5.711 1.00 0.00 C ATOM 1239 C PRO B 5 -3.379 -7.463 -5.111 1.00 0.00 C ATOM 1240 O PRO B 5 -2.857 -8.555 -4.989 1.00 0.00 O ATOM 1241 CB PRO B 5 -5.671 -6.425 -4.839 1.00 0.00 C ATOM 1242 CG PRO B 5 -6.511 -7.381 -3.952 1.00 0.00 C ATOM 1243 CD PRO B 5 -6.523 -8.743 -4.673 1.00 0.00 C ATOM 0 HA PRO B 5 -4.632 -6.905 -6.709 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -5.069 -5.755 -4.226 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -6.316 -5.799 -5.455 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -6.075 -7.472 -2.957 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -7.524 -7.001 -3.822 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -6.296 -9.558 -3.986 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -7.500 -8.955 -5.107 1.00 0.00 H new ATOM 1251 N LYS B 6 -2.763 -6.360 -4.740 1.00 0.00 N ATOM 1252 CA LYS B 6 -1.383 -6.409 -4.147 1.00 0.00 C ATOM 1253 C LYS B 6 -0.367 -6.775 -5.235 1.00 0.00 C ATOM 1254 O LYS B 6 -0.056 -7.933 -5.441 1.00 0.00 O ATOM 1255 CB LYS B 6 -1.323 -7.453 -3.010 1.00 0.00 C ATOM 1256 CG LYS B 6 -0.559 -6.877 -1.815 1.00 0.00 C ATOM 1257 CD LYS B 6 0.940 -6.881 -2.117 1.00 0.00 C ATOM 1258 CE LYS B 6 1.706 -6.364 -0.898 1.00 0.00 C ATOM 1259 NZ LYS B 6 1.811 -7.449 0.118 1.00 0.00 N ATOM 0 H LYS B 6 -3.159 -5.424 -4.823 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.142 -5.428 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.332 -7.733 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -0.833 -8.361 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.897 -5.861 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.762 -7.467 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS B 6 1.269 -7.890 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS B 6 1.149 -6.254 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS B 6 2.701 -6.031 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.194 -5.501 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 1.657 -7.052 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.092 -8.175 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.757 -7.878 0.072 1.00 0.00 H new ATOM 1273 N LEU B 7 0.159 -5.789 -5.925 1.00 0.00 N ATOM 1274 CA LEU B 7 1.165 -6.065 -6.995 1.00 0.00 C ATOM 1275 C LEU B 7 2.445 -5.256 -6.699 1.00 0.00 C ATOM 1276 O LEU B 7 2.660 -4.216 -7.287 1.00 0.00 O ATOM 1277 CB LEU B 7 0.578 -5.667 -8.362 1.00 0.00 C ATOM 1278 CG LEU B 7 0.357 -6.922 -9.235 1.00 0.00 C ATOM 1279 CD1 LEU B 7 -0.515 -7.947 -8.488 1.00 0.00 C ATOM 1280 CD2 LEU B 7 -0.343 -6.515 -10.539 1.00 0.00 C ATOM 0 H LEU B 7 -0.067 -4.804 -5.791 1.00 0.00 H new ATOM 0 HA LEU B 7 1.412 -7.127 -7.017 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.367 -5.142 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.253 -4.977 -8.869 1.00 0.00 H new ATOM 0 HG LEU B 7 1.324 -7.375 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.662 -8.826 -9.116 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.019 -8.241 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -1.482 -7.501 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.501 -7.398 -11.158 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.305 -6.057 -10.308 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.279 -5.800 -11.078 1.00 0.00 H new ATOM 1292 N PRO B 8 3.258 -5.759 -5.769 1.00 0.00 N ATOM 1293 CA PRO B 8 4.505 -5.089 -5.369 1.00 0.00 C ATOM 1294 C PRO B 8 5.654 -5.411 -6.362 1.00 0.00 C ATOM 1295 O PRO B 8 6.097 -6.541 -6.420 1.00 0.00 O ATOM 1296 CB PRO B 8 4.815 -5.700 -3.998 1.00 0.00 C ATOM 1297 CG PRO B 8 4.085 -7.073 -3.951 1.00 0.00 C ATOM 1298 CD PRO B 8 2.997 -7.028 -5.042 1.00 0.00 C ATOM 0 HA PRO B 8 4.408 -4.003 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO B 8 5.889 -5.827 -3.864 1.00 0.00 H new ATOM 0 HB3 PRO B 8 4.468 -5.049 -3.196 1.00 0.00 H new ATOM 0 HG2 PRO B 8 4.783 -7.890 -4.133 1.00 0.00 H new ATOM 0 HG3 PRO B 8 3.643 -7.244 -2.969 1.00 0.00 H new ATOM 0 HD2 PRO B 8 3.065 -7.889 -5.707 1.00 0.00 H new ATOM 0 HD3 PRO B 8 1.997 -7.039 -4.608 1.00 0.00 H new ATOM 1306 N PRO B 9 6.126 -4.410 -7.112 1.00 0.00 N ATOM 1307 CA PRO B 9 7.224 -4.616 -8.065 1.00 0.00 C ATOM 1308 C PRO B 9 8.571 -4.608 -7.328 1.00 0.00 C ATOM 1309 O PRO B 9 9.079 -3.563 -6.962 1.00 0.00 O ATOM 1310 CB PRO B 9 7.120 -3.414 -9.009 1.00 0.00 C ATOM 1311 CG PRO B 9 6.361 -2.307 -8.225 1.00 0.00 C ATOM 1312 CD PRO B 9 5.610 -3.020 -7.082 1.00 0.00 C ATOM 0 HA PRO B 9 7.161 -5.569 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO B 9 8.109 -3.069 -9.309 1.00 0.00 H new ATOM 0 HB3 PRO B 9 6.585 -3.681 -9.921 1.00 0.00 H new ATOM 0 HG2 PRO B 9 7.055 -1.565 -7.830 1.00 0.00 H new ATOM 0 HG3 PRO B 9 5.665 -1.778 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO B 9 5.805 -2.544 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO B 9 4.532 -2.993 -7.238 1.00 0.00 H new ATOM 1320 N LYS B 10 9.151 -5.766 -7.104 1.00 0.00 N ATOM 1321 CA LYS B 10 10.465 -5.824 -6.387 1.00 0.00 C ATOM 1322 C LYS B 10 11.211 -7.104 -6.776 1.00 0.00 C ATOM 1323 O LYS B 10 10.614 -8.074 -7.207 1.00 0.00 O ATOM 1324 CB LYS B 10 10.220 -5.820 -4.875 1.00 0.00 C ATOM 1325 CG LYS B 10 10.165 -4.377 -4.369 1.00 0.00 C ATOM 1326 CD LYS B 10 10.187 -4.368 -2.835 1.00 0.00 C ATOM 1327 CE LYS B 10 11.608 -4.084 -2.343 1.00 0.00 C ATOM 1328 NZ LYS B 10 11.582 -3.817 -0.876 1.00 0.00 N ATOM 0 H LYS B 10 8.772 -6.670 -7.386 1.00 0.00 H new ATOM 0 HA LYS B 10 11.065 -4.957 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS B 10 9.286 -6.332 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS B 10 11.015 -6.365 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS B 10 11.012 -3.812 -4.758 1.00 0.00 H new ATOM 0 HG3 LYS B 10 9.261 -3.888 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS B 10 9.502 -3.610 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS B 10 9.844 -5.328 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS B 10 12.255 -4.934 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS B 10 12.023 -3.226 -2.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 12.547 -3.624 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 10.978 -2.993 -0.684 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 11.203 -4.648 -0.379 1.00 0.00 H new ATOM 1342 N THR B 11 12.517 -7.112 -6.622 1.00 0.00 N ATOM 1343 CA THR B 11 13.310 -8.328 -6.978 1.00 0.00 C ATOM 1344 C THR B 11 14.677 -8.275 -6.281 1.00 0.00 C ATOM 1345 O THR B 11 14.945 -9.036 -5.369 1.00 0.00 O ATOM 1346 CB THR B 11 13.509 -8.385 -8.498 1.00 0.00 C ATOM 1347 OG1 THR B 11 12.244 -8.316 -9.141 1.00 0.00 O ATOM 1348 CG2 THR B 11 14.202 -9.695 -8.874 1.00 0.00 C ATOM 0 H THR B 11 13.064 -6.328 -6.265 1.00 0.00 H new ATOM 0 HA THR B 11 12.773 -9.218 -6.650 1.00 0.00 H new ATOM 0 HB THR B 11 14.126 -7.545 -8.816 1.00 0.00 H new ATOM 0 HG1 THR B 11 11.542 -8.587 -8.513 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.343 -9.735 -9.954 1.00 0.00 H new ATOM 0 HG22 THR B 11 15.172 -9.749 -8.379 1.00 0.00 H new ATOM 0 HG23 THR B 11 13.586 -10.537 -8.557 1.00 0.00 H new ATOM 1356 N TYR B 12 15.542 -7.381 -6.702 1.00 0.00 N ATOM 1357 CA TYR B 12 16.892 -7.276 -6.067 1.00 0.00 C ATOM 1358 C TYR B 12 17.429 -5.853 -6.252 1.00 0.00 C ATOM 1359 O TYR B 12 17.565 -5.104 -5.304 1.00 0.00 O ATOM 1360 CB TYR B 12 17.848 -8.277 -6.725 1.00 0.00 C ATOM 1361 CG TYR B 12 19.137 -8.341 -5.937 1.00 0.00 C ATOM 1362 CD1 TYR B 12 19.112 -8.691 -4.583 1.00 0.00 C ATOM 1363 CD2 TYR B 12 20.355 -8.049 -6.562 1.00 0.00 C ATOM 1364 CE1 TYR B 12 20.306 -8.751 -3.852 1.00 0.00 C ATOM 1365 CE2 TYR B 12 21.549 -8.109 -5.832 1.00 0.00 C ATOM 1366 CZ TYR B 12 21.524 -8.460 -4.477 1.00 0.00 C ATOM 1367 OH TYR B 12 22.702 -8.518 -3.757 1.00 0.00 O ATOM 0 H TYR B 12 15.369 -6.720 -7.459 1.00 0.00 H new ATOM 0 HA TYR B 12 16.814 -7.500 -5.003 1.00 0.00 H new ATOM 0 HB2 TYR B 12 17.386 -9.263 -6.766 1.00 0.00 H new ATOM 0 HB3 TYR B 12 18.053 -7.978 -7.753 1.00 0.00 H new ATOM 0 HD1 TYR B 12 18.172 -8.915 -4.101 1.00 0.00 H new ATOM 0 HD2 TYR B 12 20.374 -7.777 -7.607 1.00 0.00 H new ATOM 0 HE1 TYR B 12 20.286 -9.022 -2.807 1.00 0.00 H new ATOM 0 HE2 TYR B 12 22.489 -7.884 -6.314 1.00 0.00 H new ATOM 0 HH TYR B 12 23.454 -8.289 -4.342 1.00 0.00 H new ATOM 1377 N LYS B 13 17.727 -5.476 -7.476 1.00 0.00 N ATOM 1378 CA LYS B 13 18.251 -4.097 -7.747 1.00 0.00 C ATOM 1379 C LYS B 13 19.614 -3.910 -7.066 1.00 0.00 C ATOM 1380 O LYS B 13 19.805 -4.273 -5.920 1.00 0.00 O ATOM 1381 CB LYS B 13 17.252 -3.045 -7.216 1.00 0.00 C ATOM 1382 CG LYS B 13 16.749 -2.172 -8.373 1.00 0.00 C ATOM 1383 CD LYS B 13 17.885 -1.268 -8.867 1.00 0.00 C ATOM 1384 CE LYS B 13 17.800 -1.111 -10.390 1.00 0.00 C ATOM 1385 NZ LYS B 13 17.254 0.236 -10.721 1.00 0.00 N ATOM 0 H LYS B 13 17.629 -6.067 -8.301 1.00 0.00 H new ATOM 0 HA LYS B 13 18.371 -3.967 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS B 13 16.411 -3.541 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS B 13 17.733 -2.422 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS B 13 16.391 -2.801 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS B 13 15.905 -1.566 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS B 13 17.819 -0.291 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS B 13 18.849 -1.695 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS B 13 18.788 -1.234 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS B 13 17.162 -1.888 -10.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 17.196 0.343 -11.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 16.304 0.337 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 17.880 0.970 -10.332 1.00 0.00 H new ATOM 1399 N ARG B 14 20.561 -3.334 -7.770 1.00 0.00 N ATOM 1400 CA ARG B 14 21.912 -3.108 -7.177 1.00 0.00 C ATOM 1401 C ARG B 14 21.840 -1.926 -6.205 1.00 0.00 C ATOM 1402 O ARG B 14 21.073 -1.001 -6.400 1.00 0.00 O ATOM 1403 CB ARG B 14 22.912 -2.796 -8.294 1.00 0.00 C ATOM 1404 CG ARG B 14 24.337 -2.854 -7.739 1.00 0.00 C ATOM 1405 CD ARG B 14 25.265 -2.026 -8.632 1.00 0.00 C ATOM 1406 NE ARG B 14 26.674 -2.466 -8.429 1.00 0.00 N ATOM 1407 CZ ARG B 14 27.655 -1.765 -8.932 1.00 0.00 C ATOM 1408 NH1 ARG B 14 27.707 -0.477 -8.731 1.00 0.00 N ATOM 1409 NH2 ARG B 14 28.583 -2.353 -9.639 1.00 0.00 N ATOM 0 H ARG B 14 20.453 -3.011 -8.732 1.00 0.00 H new ATOM 0 HA ARG B 14 22.236 -4.001 -6.643 1.00 0.00 H new ATOM 0 HB2 ARG B 14 22.799 -3.512 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG B 14 22.713 -1.808 -8.709 1.00 0.00 H new ATOM 0 HG2 ARG B 14 24.358 -2.470 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG B 14 24.681 -3.887 -7.697 1.00 0.00 H new ATOM 0 HD2 ARG B 14 24.983 -2.146 -9.678 1.00 0.00 H new ATOM 0 HD3 ARG B 14 25.166 -0.967 -8.394 1.00 0.00 H new ATOM 0 HE ARG B 14 26.872 -3.314 -7.898 1.00 0.00 H new ATOM 0 HH11 ARG B 14 26.982 -0.017 -8.181 1.00 0.00 H new ATOM 0 HH12 ARG B 14 28.473 0.070 -9.124 1.00 0.00 H new ATOM 0 HH21 ARG B 14 28.542 -3.360 -9.798 1.00 0.00 H new ATOM 0 HH22 ARG B 14 29.349 -1.805 -10.032 1.00 0.00 H new ATOM 1423 N GLU B 15 22.631 -1.953 -5.159 1.00 0.00 N ATOM 1424 CA GLU B 15 22.607 -0.833 -4.169 1.00 0.00 C ATOM 1425 C GLU B 15 23.912 -0.828 -3.370 1.00 0.00 C ATOM 1426 O GLU B 15 24.231 0.203 -2.803 1.00 0.00 O ATOM 1427 CB GLU B 15 21.425 -1.022 -3.215 1.00 0.00 C ATOM 1428 CG GLU B 15 21.491 -2.418 -2.592 1.00 0.00 C ATOM 1429 CD GLU B 15 20.600 -2.466 -1.349 1.00 0.00 C ATOM 1430 OE1 GLU B 15 20.978 -1.875 -0.351 1.00 0.00 O ATOM 1431 OE2 GLU B 15 19.555 -3.091 -1.418 1.00 0.00 O ATOM 1432 OXT GLU B 15 24.567 -1.856 -3.338 1.00 0.00 O ATOM 0 H GLU B 15 23.291 -2.702 -4.949 1.00 0.00 H new ATOM 0 HA GLU B 15 22.502 0.115 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU B 15 21.449 -0.262 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU B 15 20.486 -0.896 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU B 15 21.165 -3.166 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU B 15 22.520 -2.660 -2.325 1.00 0.00 H new TER 1439 GLU B 15