USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 754 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 30 HIS : no HD1:sc= -4.66! C(o=-5.3!,f=-13!) USER MOD Set 1.2: A 34 TYR OH : rot 74:sc= -0.641 USER MOD Set 2.1: A 25 THR OG1 : rot 105:sc= -3.63! USER MOD Set 2.2: A 37 THR OG1 : rot -140:sc= -0.702 USER MOD Set 3.1: A 19 HIS : no HD1:sc= -7.39! C(o=-11!,f=-15!) USER MOD Set 3.2: A 24 SER OG : rot -64:sc= -3.27! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -174:sc= -0.916 USER MOD Single : A 17 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc=-0.00369 (180deg=-0.191) USER MOD Single : A 20 ASN :FLIP amide:sc= -10! C(o=-15!,f=-10!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -37:sc= 0.162 USER MOD Single : A 32 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.21) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 53 GLN : amide:sc= -6.17! C(o=-6.2!,f=-12!) USER MOD Single : A 59 THR OG1 : rot -4:sc= 1.32 USER MOD Single : A 61 ASN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 67 HIS : no HE2:sc= -2.89 K(o=-2.9,f=-7.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00472 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 75 SER OG : rot -37:sc= -0.665 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -55:sc= 0.61 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -11.8! C(o=-14!,f=-12!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 8 12.209 -2.173 -23.108 1.00 0.00 N ATOM 96 CA VAL A 8 12.157 -2.948 -21.880 1.00 0.00 C ATOM 97 C VAL A 8 11.745 -4.385 -22.206 1.00 0.00 C ATOM 98 O VAL A 8 12.453 -5.331 -21.863 1.00 0.00 O ATOM 99 CB VAL A 8 11.223 -2.272 -20.873 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.286 -1.285 -21.573 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.431 -3.311 -20.077 1.00 0.00 C ATOM 0 HA VAL A 8 13.141 -2.990 -21.413 1.00 0.00 H new ATOM 0 HB VAL A 8 11.837 -1.710 -20.170 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.633 -0.818 -20.836 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.875 -0.517 -22.074 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.682 -1.816 -22.309 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.775 -2.804 -19.369 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.832 -3.913 -20.760 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.121 -3.957 -19.534 1.00 0.00 H new ATOM 111 N LYS A 9 10.602 -4.505 -22.865 1.00 0.00 N ATOM 112 CA LYS A 9 10.086 -5.810 -23.241 1.00 0.00 C ATOM 113 C LYS A 9 9.563 -6.525 -21.994 1.00 0.00 C ATOM 114 O LYS A 9 8.379 -6.849 -21.911 1.00 0.00 O ATOM 115 CB LYS A 9 11.147 -6.605 -24.006 1.00 0.00 C ATOM 116 CG LYS A 9 11.085 -6.302 -25.504 1.00 0.00 C ATOM 117 CD LYS A 9 11.570 -7.496 -26.326 1.00 0.00 C ATOM 118 CE LYS A 9 12.046 -7.054 -27.711 1.00 0.00 C ATOM 119 NZ LYS A 9 10.918 -7.045 -28.669 1.00 0.00 N ATOM 0 H LYS A 9 10.018 -3.718 -23.149 1.00 0.00 H new ATOM 0 HA LYS A 9 9.244 -5.704 -23.925 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.137 -6.359 -23.622 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.997 -7.672 -23.841 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.062 -6.054 -25.786 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.698 -5.429 -25.728 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.384 -7.996 -25.801 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.763 -8.222 -26.430 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.487 -6.059 -27.650 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.827 -7.727 -28.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.259 -6.743 -29.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.515 -8.001 -28.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.186 -6.385 -28.337 1.00 0.00 H new ATOM 133 N TYR A 10 10.470 -6.750 -21.056 1.00 0.00 N ATOM 134 CA TYR A 10 10.115 -7.422 -19.817 1.00 0.00 C ATOM 135 C TYR A 10 10.714 -6.697 -18.609 1.00 0.00 C ATOM 136 O TYR A 10 11.932 -6.566 -18.500 1.00 0.00 O ATOM 137 CB TYR A 10 10.722 -8.824 -19.907 1.00 0.00 C ATOM 138 CG TYR A 10 11.675 -9.014 -21.089 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.989 -8.609 -20.987 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.219 -9.591 -22.257 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.887 -8.788 -22.099 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.116 -9.770 -23.370 1.00 0.00 C ATOM 143 CZ TYR A 10 13.405 -9.359 -23.235 1.00 0.00 C ATOM 144 OH TYR A 10 14.253 -9.529 -24.286 1.00 0.00 O ATOM 0 H TYR A 10 11.451 -6.479 -21.128 1.00 0.00 H new ATOM 0 HA TYR A 10 9.033 -7.443 -19.689 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.259 -9.036 -18.983 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.916 -9.554 -19.982 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.345 -8.157 -20.073 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.190 -9.908 -22.337 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.919 -8.476 -22.032 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.773 -10.220 -24.290 1.00 0.00 H new ATOM 0 HH TYR A 10 13.772 -9.950 -25.029 1.00 0.00 H new ATOM 154 N TYR A 11 9.829 -6.245 -17.732 1.00 0.00 N ATOM 155 CA TYR A 11 10.254 -5.538 -16.537 1.00 0.00 C ATOM 156 C TYR A 11 9.656 -6.175 -15.281 1.00 0.00 C ATOM 157 O TYR A 11 8.777 -7.030 -15.372 1.00 0.00 O ATOM 158 CB TYR A 11 9.718 -4.112 -16.677 1.00 0.00 C ATOM 159 CG TYR A 11 10.809 -3.047 -16.809 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.999 -3.351 -17.437 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.602 -1.781 -16.297 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.026 -2.348 -17.560 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.628 -0.779 -16.419 1.00 0.00 C ATOM 164 CZ TYR A 11 12.790 -1.112 -17.045 1.00 0.00 C ATOM 165 OH TYR A 11 13.760 -0.166 -17.161 1.00 0.00 O ATOM 0 H TYR A 11 8.819 -6.355 -17.826 1.00 0.00 H new ATOM 0 HA TYR A 11 11.339 -5.568 -16.439 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.069 -4.063 -17.551 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.101 -3.880 -15.809 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.161 -4.341 -17.837 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.670 -1.543 -15.805 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.962 -2.573 -18.050 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.479 0.215 -16.023 1.00 0.00 H new ATOM 0 HH TYR A 11 13.454 0.669 -16.749 1.00 0.00 H new ATOM 175 N THR A 12 10.156 -5.732 -14.137 1.00 0.00 N ATOM 176 CA THR A 12 9.681 -6.246 -12.863 1.00 0.00 C ATOM 177 C THR A 12 8.785 -5.216 -12.173 1.00 0.00 C ATOM 178 O THR A 12 8.868 -4.024 -12.460 1.00 0.00 O ATOM 179 CB THR A 12 10.901 -6.646 -12.031 1.00 0.00 C ATOM 180 OG1 THR A 12 11.545 -5.409 -11.741 1.00 0.00 O ATOM 181 CG2 THR A 12 11.937 -7.423 -12.846 1.00 0.00 C ATOM 0 H THR A 12 10.885 -5.023 -14.065 1.00 0.00 H new ATOM 0 HA THR A 12 9.059 -7.130 -13.000 1.00 0.00 H new ATOM 0 HB THR A 12 10.579 -7.250 -11.183 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.395 -5.582 -11.286 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.782 -7.682 -12.208 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.484 -8.334 -13.236 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.284 -6.807 -13.675 1.00 0.00 H new ATOM 189 N LEU A 13 7.948 -5.715 -11.274 1.00 0.00 N ATOM 190 CA LEU A 13 7.038 -4.854 -10.540 1.00 0.00 C ATOM 191 C LEU A 13 7.818 -3.673 -9.958 1.00 0.00 C ATOM 192 O LEU A 13 7.311 -2.552 -9.913 1.00 0.00 O ATOM 193 CB LEU A 13 6.268 -5.658 -9.490 1.00 0.00 C ATOM 194 CG LEU A 13 4.824 -6.019 -9.849 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.219 -6.962 -8.807 1.00 0.00 C ATOM 196 CD2 LEU A 13 3.976 -4.760 -10.041 1.00 0.00 C ATOM 0 H LEU A 13 7.882 -6.705 -11.038 1.00 0.00 H new ATOM 0 HA LEU A 13 6.283 -4.441 -11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.815 -6.581 -9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.259 -5.090 -8.560 1.00 0.00 H new ATOM 0 HG LEU A 13 4.832 -6.551 -10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.193 -7.203 -9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.807 -7.879 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.225 -6.478 -7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.955 -5.044 -10.295 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.972 -4.180 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.396 -4.158 -10.846 1.00 0.00 H new ATOM 208 N GLU A 14 9.035 -3.965 -9.525 1.00 0.00 N ATOM 209 CA GLU A 14 9.890 -2.940 -8.948 1.00 0.00 C ATOM 210 C GLU A 14 10.300 -1.926 -10.018 1.00 0.00 C ATOM 211 O GLU A 14 10.050 -0.730 -9.873 1.00 0.00 O ATOM 212 CB GLU A 14 11.119 -3.563 -8.284 1.00 0.00 C ATOM 213 CG GLU A 14 11.248 -3.105 -6.829 1.00 0.00 C ATOM 214 CD GLU A 14 11.094 -4.284 -5.867 1.00 0.00 C ATOM 215 OE1 GLU A 14 12.067 -5.062 -5.762 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.006 -4.379 -5.257 1.00 0.00 O ATOM 0 H GLU A 14 9.450 -4.896 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 14 9.326 -2.416 -8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.045 -4.650 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.016 -3.285 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.218 -2.632 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.489 -2.353 -6.612 1.00 0.00 H new ATOM 223 N GLU A 15 10.922 -2.440 -11.068 1.00 0.00 N ATOM 224 CA GLU A 15 11.370 -1.596 -12.162 1.00 0.00 C ATOM 225 C GLU A 15 10.288 -0.571 -12.517 1.00 0.00 C ATOM 226 O GLU A 15 10.597 0.577 -12.834 1.00 0.00 O ATOM 227 CB GLU A 15 11.751 -2.433 -13.383 1.00 0.00 C ATOM 228 CG GLU A 15 13.111 -3.105 -13.184 1.00 0.00 C ATOM 229 CD GLU A 15 13.701 -3.558 -14.520 1.00 0.00 C ATOM 230 OE1 GLU A 15 13.226 -4.600 -15.026 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.612 -2.854 -15.007 1.00 0.00 O ATOM 0 H GLU A 15 11.127 -3.432 -11.185 1.00 0.00 H new ATOM 0 HA GLU A 15 12.262 -1.060 -11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.989 -3.192 -13.560 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.781 -1.798 -14.269 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.796 -2.410 -12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.003 -3.963 -12.521 1.00 0.00 H new ATOM 238 N ILE A 16 9.046 -1.023 -12.451 1.00 0.00 N ATOM 239 CA ILE A 16 7.917 -0.161 -12.760 1.00 0.00 C ATOM 240 C ILE A 16 7.588 0.700 -11.539 1.00 0.00 C ATOM 241 O ILE A 16 7.243 1.873 -11.676 1.00 0.00 O ATOM 242 CB ILE A 16 6.734 -0.988 -13.267 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.198 -2.061 -14.252 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.654 -0.086 -13.868 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.666 -3.439 -13.853 1.00 0.00 C ATOM 0 H ILE A 16 8.795 -1.976 -12.188 1.00 0.00 H new ATOM 0 HA ILE A 16 8.170 0.521 -13.572 1.00 0.00 H new ATOM 0 HB ILE A 16 6.287 -1.504 -12.417 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.854 -1.811 -15.256 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.287 -2.083 -14.284 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.824 -0.698 -14.221 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.295 0.608 -13.108 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.072 0.475 -14.704 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.011 -4.184 -14.570 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.031 -3.696 -12.859 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.576 -3.420 -13.845 1.00 0.00 H new ATOM 257 N GLN A 17 7.705 0.084 -10.371 1.00 0.00 N ATOM 258 CA GLN A 17 7.425 0.779 -9.126 1.00 0.00 C ATOM 259 C GLN A 17 8.331 2.003 -8.986 1.00 0.00 C ATOM 260 O GLN A 17 8.070 2.882 -8.167 1.00 0.00 O ATOM 261 CB GLN A 17 7.580 -0.159 -7.928 1.00 0.00 C ATOM 262 CG GLN A 17 6.548 0.160 -6.843 1.00 0.00 C ATOM 263 CD GLN A 17 7.225 0.720 -5.592 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.358 0.400 -5.270 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.469 1.570 -4.902 1.00 0.00 N ATOM 0 H GLN A 17 7.990 -0.889 -10.261 1.00 0.00 H new ATOM 0 HA GLN A 17 6.390 1.119 -9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.463 -1.193 -8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.585 -0.066 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.825 0.882 -7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.993 -0.742 -6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.529 1.795 -5.227 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.830 1.996 -4.049 1.00 0.00 H new ATOM 274 N LYS A 18 9.379 2.020 -9.798 1.00 0.00 N ATOM 275 CA LYS A 18 10.326 3.122 -9.773 1.00 0.00 C ATOM 276 C LYS A 18 9.886 4.189 -10.778 1.00 0.00 C ATOM 277 O LYS A 18 10.145 5.375 -10.582 1.00 0.00 O ATOM 278 CB LYS A 18 11.749 2.611 -10.003 1.00 0.00 C ATOM 279 CG LYS A 18 12.099 1.496 -9.015 1.00 0.00 C ATOM 280 CD LYS A 18 12.377 2.066 -7.623 1.00 0.00 C ATOM 281 CE LYS A 18 13.842 2.483 -7.484 1.00 0.00 C ATOM 282 NZ LYS A 18 13.972 3.955 -7.565 1.00 0.00 N ATOM 0 H LYS A 18 9.593 1.289 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 18 10.336 3.593 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.845 2.241 -11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.456 3.433 -9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.278 0.781 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.974 0.951 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.732 2.926 -7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.134 1.321 -6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.238 2.129 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.435 2.016 -8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.884 4.246 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.925 4.253 -8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.198 4.402 -7.033 1.00 0.00 H new ATOM 296 N HIS A 19 9.228 3.728 -11.832 1.00 0.00 N ATOM 297 CA HIS A 19 8.749 4.628 -12.866 1.00 0.00 C ATOM 298 C HIS A 19 7.443 5.285 -12.413 1.00 0.00 C ATOM 299 O HIS A 19 6.369 4.945 -12.907 1.00 0.00 O ATOM 300 CB HIS A 19 8.611 3.895 -14.203 1.00 0.00 C ATOM 301 CG HIS A 19 9.922 3.672 -14.918 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.141 4.076 -16.223 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.078 3.082 -14.497 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.377 3.740 -16.563 1.00 0.00 C ATOM 305 NE2 HIS A 19 11.956 3.125 -15.492 1.00 0.00 N ATOM 0 H HIS A 19 9.016 2.743 -11.992 1.00 0.00 H new ATOM 0 HA HIS A 19 9.478 5.423 -13.026 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.135 2.930 -14.029 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.947 4.466 -14.852 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.250 2.653 -13.521 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.844 3.921 -17.520 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.907 2.758 -15.461 1.00 0.00 H new ATOM 314 N ASN A 20 7.581 6.213 -11.478 1.00 0.00 N ATOM 315 CA ASN A 20 6.425 6.920 -10.951 1.00 0.00 C ATOM 316 C ASN A 20 6.600 8.422 -11.190 1.00 0.00 C ATOM 317 O ASN A 20 5.895 9.235 -10.592 1.00 0.00 O ATOM 318 CB ASN A 20 6.278 6.694 -9.446 1.00 0.00 C ATOM 319 CG ASN A 20 5.918 5.237 -9.144 1.00 0.00 C ATOM 320 OD1 ASN A 20 6.766 4.353 -9.658 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.934 4.938 -8.487 1.00 0.00 N flip ATOM 0 H ASN A 20 8.474 6.492 -11.072 1.00 0.00 H new ATOM 0 HA ASN A 20 5.538 6.542 -11.459 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.209 6.954 -8.943 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.506 7.353 -9.049 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.324 5.669 -8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.722 3.957 -8.304 1.00 0.00 H new ATOM 328 N ASN A 21 7.544 8.746 -12.061 1.00 0.00 N ATOM 329 CA ASN A 21 7.821 10.135 -12.383 1.00 0.00 C ATOM 330 C ASN A 21 7.272 10.450 -13.776 1.00 0.00 C ATOM 331 O ASN A 21 7.114 9.552 -14.601 1.00 0.00 O ATOM 332 CB ASN A 21 9.327 10.408 -12.394 1.00 0.00 C ATOM 333 CG ASN A 21 9.888 10.446 -10.972 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.763 11.422 -10.252 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.514 9.329 -10.608 1.00 0.00 N ATOM 0 H ASN A 21 8.127 8.070 -12.554 1.00 0.00 H new ATOM 0 HA ASN A 21 7.348 10.758 -11.625 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.836 9.634 -12.969 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.524 11.357 -12.892 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.924 9.254 -9.677 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.583 8.548 -11.260 1.00 0.00 H new ATOM 342 N SER A 22 6.998 11.727 -13.994 1.00 0.00 N ATOM 343 CA SER A 22 6.471 12.171 -15.273 1.00 0.00 C ATOM 344 C SER A 22 7.579 12.160 -16.328 1.00 0.00 C ATOM 345 O SER A 22 7.447 12.788 -17.378 1.00 0.00 O ATOM 346 CB SER A 22 5.858 13.569 -15.161 1.00 0.00 C ATOM 347 OG SER A 22 4.751 13.597 -14.265 1.00 0.00 O ATOM 0 H SER A 22 7.131 12.469 -13.307 1.00 0.00 H new ATOM 0 HA SER A 22 5.683 11.482 -15.576 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.618 14.272 -14.820 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.535 13.903 -16.147 1.00 0.00 H new ATOM 0 HG SER A 22 4.389 14.507 -14.220 1.00 0.00 H new ATOM 353 N LYS A 23 8.644 11.439 -16.013 1.00 0.00 N ATOM 354 CA LYS A 23 9.774 11.337 -16.922 1.00 0.00 C ATOM 355 C LYS A 23 9.855 9.910 -17.469 1.00 0.00 C ATOM 356 O LYS A 23 10.518 9.665 -18.476 1.00 0.00 O ATOM 357 CB LYS A 23 11.058 11.806 -16.234 1.00 0.00 C ATOM 358 CG LYS A 23 11.804 10.629 -15.604 1.00 0.00 C ATOM 359 CD LYS A 23 13.028 11.111 -14.822 1.00 0.00 C ATOM 360 CE LYS A 23 12.922 10.727 -13.346 1.00 0.00 C ATOM 361 NZ LYS A 23 12.883 11.939 -12.495 1.00 0.00 N ATOM 0 H LYS A 23 8.749 10.920 -15.141 1.00 0.00 H new ATOM 0 HA LYS A 23 9.637 11.999 -17.777 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.702 12.303 -16.959 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.816 12.541 -15.466 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.135 10.084 -14.939 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.116 9.933 -16.383 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.931 10.677 -15.250 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.120 12.193 -14.914 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.023 10.132 -13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.772 10.105 -13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.811 11.659 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.752 12.492 -12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.058 12.518 -12.753 1.00 0.00 H new ATOM 375 N SER A 24 9.173 9.006 -16.781 1.00 0.00 N ATOM 376 CA SER A 24 9.161 7.611 -17.186 1.00 0.00 C ATOM 377 C SER A 24 7.895 6.927 -16.665 1.00 0.00 C ATOM 378 O SER A 24 7.877 5.712 -16.471 1.00 0.00 O ATOM 379 CB SER A 24 10.406 6.880 -16.681 1.00 0.00 C ATOM 380 OG SER A 24 10.924 5.974 -17.651 1.00 0.00 O ATOM 0 H SER A 24 8.625 9.213 -15.946 1.00 0.00 H new ATOM 0 HA SER A 24 9.167 7.570 -18.275 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.173 7.609 -16.420 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.161 6.334 -15.770 1.00 0.00 H new ATOM 0 HG SER A 24 10.267 5.268 -17.823 1.00 0.00 H new ATOM 386 N THR A 25 6.867 7.735 -16.454 1.00 0.00 N ATOM 387 CA THR A 25 5.601 7.223 -15.959 1.00 0.00 C ATOM 388 C THR A 25 5.270 5.886 -16.626 1.00 0.00 C ATOM 389 O THR A 25 4.721 5.857 -17.727 1.00 0.00 O ATOM 390 CB THR A 25 4.536 8.297 -16.188 1.00 0.00 C ATOM 391 OG1 THR A 25 5.202 9.518 -15.881 1.00 0.00 O ATOM 392 CG2 THR A 25 3.402 8.224 -15.162 1.00 0.00 C ATOM 0 H THR A 25 6.885 8.742 -16.617 1.00 0.00 H new ATOM 0 HA THR A 25 5.648 7.014 -14.890 1.00 0.00 H new ATOM 0 HB THR A 25 4.126 8.193 -17.192 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.420 9.990 -16.712 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.673 9.007 -15.369 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.916 7.250 -15.225 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.808 8.362 -14.160 1.00 0.00 H new ATOM 400 N TRP A 26 5.616 4.813 -15.931 1.00 0.00 N ATOM 401 CA TRP A 26 5.363 3.476 -16.442 1.00 0.00 C ATOM 402 C TRP A 26 4.371 2.791 -15.500 1.00 0.00 C ATOM 403 O TRP A 26 4.300 3.124 -14.318 1.00 0.00 O ATOM 404 CB TRP A 26 6.667 2.696 -16.608 1.00 0.00 C ATOM 405 CG TRP A 26 7.545 3.187 -17.762 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.417 4.318 -18.472 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.696 2.515 -18.313 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.398 4.421 -19.437 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.201 3.291 -19.337 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.292 1.292 -17.958 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.324 2.928 -20.090 1.00 0.00 C ATOM 412 CZ3 TRP A 26 10.414 0.944 -18.721 1.00 0.00 C ATOM 413 CH2 TRP A 26 10.934 1.714 -19.754 1.00 0.00 C ATOM 0 H TRP A 26 6.070 4.842 -15.018 1.00 0.00 H new ATOM 0 HA TRP A 26 4.923 3.520 -17.438 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.236 2.758 -15.680 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.431 1.644 -16.767 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.644 5.055 -18.309 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.513 5.186 -20.102 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.914 0.670 -17.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.700 3.552 -20.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.909 0.012 -18.490 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.806 1.377 -20.296 1.00 0.00 H new ATOM 424 N LEU A 27 3.630 1.846 -16.059 1.00 0.00 N ATOM 425 CA LEU A 27 2.646 1.110 -15.284 1.00 0.00 C ATOM 426 C LEU A 27 2.446 -0.274 -15.903 1.00 0.00 C ATOM 427 O LEU A 27 3.026 -0.583 -16.942 1.00 0.00 O ATOM 428 CB LEU A 27 1.353 1.918 -15.152 1.00 0.00 C ATOM 429 CG LEU A 27 0.341 1.752 -16.289 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.038 1.759 -17.650 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.509 0.498 -16.087 1.00 0.00 C ATOM 0 H LEU A 27 3.691 1.573 -17.040 1.00 0.00 H new ATOM 0 HA LEU A 27 3.003 0.955 -14.266 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.868 1.640 -14.216 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.613 2.974 -15.075 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.336 2.606 -16.271 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.296 1.639 -18.439 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.563 2.705 -17.785 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.753 0.938 -17.697 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.219 0.404 -16.908 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.137 -0.380 -16.064 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.052 0.574 -15.145 1.00 0.00 H new ATOM 443 N ILE A 28 1.621 -1.072 -15.239 1.00 0.00 N ATOM 444 CA ILE A 28 1.336 -2.416 -15.712 1.00 0.00 C ATOM 445 C ILE A 28 -0.171 -2.574 -15.909 1.00 0.00 C ATOM 446 O ILE A 28 -0.953 -2.306 -14.998 1.00 0.00 O ATOM 447 CB ILE A 28 1.946 -3.455 -14.769 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.135 -2.871 -14.003 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.324 -4.730 -15.528 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.490 -3.740 -12.795 1.00 0.00 C ATOM 0 H ILE A 28 1.141 -0.813 -14.377 1.00 0.00 H new ATOM 0 HA ILE A 28 1.803 -2.586 -16.682 1.00 0.00 H new ATOM 0 HB ILE A 28 1.192 -3.730 -14.032 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.997 -2.794 -14.666 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.897 -1.860 -13.671 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.755 -5.452 -14.835 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.433 -5.157 -15.989 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.053 -4.490 -16.302 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.338 -3.302 -12.269 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.634 -3.795 -12.122 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.751 -4.743 -13.132 1.00 0.00 H new ATOM 462 N LEU A 29 -0.537 -3.009 -17.106 1.00 0.00 N ATOM 463 CA LEU A 29 -1.939 -3.206 -17.435 1.00 0.00 C ATOM 464 C LEU A 29 -2.156 -4.656 -17.870 1.00 0.00 C ATOM 465 O LEU A 29 -1.459 -5.156 -18.752 1.00 0.00 O ATOM 466 CB LEU A 29 -2.396 -2.177 -18.472 1.00 0.00 C ATOM 467 CG LEU A 29 -3.410 -1.140 -17.987 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.318 -0.683 -19.130 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.210 -1.672 -16.796 1.00 0.00 C ATOM 0 H LEU A 29 0.113 -3.231 -17.860 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.564 -3.039 -16.558 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.517 -1.650 -18.843 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.829 -2.711 -19.318 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.863 -0.263 -17.642 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.029 0.054 -18.757 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.713 -0.237 -19.919 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.860 -1.540 -19.529 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.924 -0.916 -16.470 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.746 -2.574 -17.092 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.530 -1.906 -15.977 1.00 0.00 H new ATOM 481 N HIS A 30 -3.127 -5.292 -17.230 1.00 0.00 N ATOM 482 CA HIS A 30 -3.446 -6.677 -17.539 1.00 0.00 C ATOM 483 C HIS A 30 -2.285 -7.578 -17.115 1.00 0.00 C ATOM 484 O HIS A 30 -2.457 -8.462 -16.277 1.00 0.00 O ATOM 485 CB HIS A 30 -3.808 -6.833 -19.018 1.00 0.00 C ATOM 486 CG HIS A 30 -4.467 -5.614 -19.621 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.096 -5.094 -20.848 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.475 -4.824 -19.155 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.854 -4.036 -21.099 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.707 -3.870 -20.047 1.00 0.00 N ATOM 0 H HIS A 30 -3.703 -4.874 -16.499 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.325 -6.987 -16.974 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.903 -7.060 -19.581 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.476 -7.687 -19.130 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.997 -4.953 -18.218 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.805 -3.415 -21.981 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.408 -3.134 -19.961 1.00 0.00 H new ATOM 499 N TYR A 31 -1.130 -7.322 -17.711 1.00 0.00 N ATOM 500 CA TYR A 31 0.058 -8.100 -17.405 1.00 0.00 C ATOM 501 C TYR A 31 1.266 -7.589 -18.195 1.00 0.00 C ATOM 502 O TYR A 31 2.311 -8.236 -18.223 1.00 0.00 O ATOM 503 CB TYR A 31 -0.251 -9.533 -17.839 1.00 0.00 C ATOM 504 CG TYR A 31 0.118 -9.837 -19.293 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.398 -10.244 -19.609 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.828 -9.702 -20.288 1.00 0.00 C ATOM 507 CE1 TYR A 31 1.747 -10.529 -20.977 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.480 -9.987 -21.656 1.00 0.00 C ATOM 509 CZ TYR A 31 0.790 -10.387 -21.934 1.00 0.00 C ATOM 510 OH TYR A 31 1.119 -10.656 -23.225 1.00 0.00 O ATOM 0 H TYR A 31 -0.992 -6.587 -18.404 1.00 0.00 H new ATOM 0 HA TYR A 31 0.300 -8.029 -16.345 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.285 -10.223 -17.187 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.315 -9.723 -17.698 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.139 -10.349 -18.830 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.830 -9.383 -20.041 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.745 -10.848 -21.237 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.211 -9.885 -22.444 1.00 0.00 H new ATOM 0 HH TYR A 31 2.036 -10.356 -23.398 1.00 0.00 H new ATOM 520 N LYS A 32 1.080 -6.435 -18.817 1.00 0.00 N ATOM 521 CA LYS A 32 2.142 -5.831 -19.605 1.00 0.00 C ATOM 522 C LYS A 32 2.529 -4.486 -18.984 1.00 0.00 C ATOM 523 O LYS A 32 1.940 -4.064 -17.991 1.00 0.00 O ATOM 524 CB LYS A 32 1.728 -5.733 -21.075 1.00 0.00 C ATOM 525 CG LYS A 32 1.265 -7.091 -21.605 1.00 0.00 C ATOM 526 CD LYS A 32 -0.026 -6.953 -22.416 1.00 0.00 C ATOM 527 CE LYS A 32 0.255 -7.050 -23.915 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.878 -6.502 -24.693 1.00 0.00 N ATOM 0 H LYS A 32 0.211 -5.902 -18.792 1.00 0.00 H new ATOM 0 HA LYS A 32 3.033 -6.459 -19.590 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.925 -5.004 -21.183 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.568 -5.373 -21.670 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.045 -7.527 -22.229 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.104 -7.775 -20.772 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.729 -7.733 -22.123 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.500 -5.997 -22.192 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.167 -6.503 -24.156 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.424 -8.090 -24.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.277 -7.248 -25.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.611 -6.155 -24.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.543 -5.717 -25.287 1.00 0.00 H new ATOM 542 N VAL A 33 3.518 -3.852 -19.596 1.00 0.00 N ATOM 543 CA VAL A 33 3.991 -2.565 -19.116 1.00 0.00 C ATOM 544 C VAL A 33 3.824 -1.521 -20.222 1.00 0.00 C ATOM 545 O VAL A 33 4.246 -1.739 -21.357 1.00 0.00 O ATOM 546 CB VAL A 33 5.435 -2.689 -18.625 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.025 -1.314 -18.305 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.524 -3.619 -17.414 1.00 0.00 C ATOM 0 H VAL A 33 4.005 -4.205 -20.420 1.00 0.00 H new ATOM 0 HA VAL A 33 3.398 -2.234 -18.263 1.00 0.00 H new ATOM 0 HB VAL A 33 6.026 -3.128 -19.429 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.052 -1.430 -17.958 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.013 -0.695 -19.202 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.431 -0.836 -17.526 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.561 -3.690 -17.085 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.913 -3.221 -16.604 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.162 -4.610 -17.689 1.00 0.00 H new ATOM 558 N TYR A 34 3.207 -0.408 -19.851 1.00 0.00 N ATOM 559 CA TYR A 34 2.978 0.671 -20.797 1.00 0.00 C ATOM 560 C TYR A 34 3.614 1.974 -20.308 1.00 0.00 C ATOM 561 O TYR A 34 3.798 2.166 -19.107 1.00 0.00 O ATOM 562 CB TYR A 34 1.460 0.853 -20.870 1.00 0.00 C ATOM 563 CG TYR A 34 0.690 -0.443 -21.129 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.698 -1.450 -20.187 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.013 -0.604 -22.306 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.027 -2.670 -20.431 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.739 -1.823 -22.550 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.710 -2.796 -21.601 1.00 0.00 C ATOM 569 OH TYR A 34 -1.395 -3.949 -21.831 1.00 0.00 O ATOM 0 H TYR A 34 2.859 -0.231 -18.909 1.00 0.00 H new ATOM 0 HA TYR A 34 3.417 0.432 -21.765 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.111 1.290 -19.934 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.227 1.566 -21.661 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.248 -1.324 -19.266 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.018 0.185 -23.044 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.029 -3.467 -19.702 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.294 -1.961 -23.466 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.201 -3.967 -21.274 1.00 0.00 H new ATOM 579 N ASP A 35 3.931 2.836 -21.263 1.00 0.00 N ATOM 580 CA ASP A 35 4.542 4.115 -20.942 1.00 0.00 C ATOM 581 C ASP A 35 3.448 5.174 -20.790 1.00 0.00 C ATOM 582 O ASP A 35 3.032 5.788 -21.771 1.00 0.00 O ATOM 583 CB ASP A 35 5.486 4.568 -22.058 1.00 0.00 C ATOM 584 CG ASP A 35 6.737 5.310 -21.584 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.627 6.011 -20.554 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.777 5.161 -22.262 1.00 0.00 O ATOM 0 H ASP A 35 3.776 2.674 -22.258 1.00 0.00 H new ATOM 0 HA ASP A 35 5.106 3.997 -20.017 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.795 3.693 -22.629 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.934 5.215 -22.740 1.00 0.00 H new ATOM 591 N LEU A 36 3.013 5.355 -19.551 1.00 0.00 N ATOM 592 CA LEU A 36 1.976 6.330 -19.257 1.00 0.00 C ATOM 593 C LEU A 36 2.470 7.726 -19.638 1.00 0.00 C ATOM 594 O LEU A 36 1.696 8.556 -20.113 1.00 0.00 O ATOM 595 CB LEU A 36 1.529 6.212 -17.799 1.00 0.00 C ATOM 596 CG LEU A 36 0.673 4.991 -17.455 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.038 5.180 -16.114 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.308 4.675 -18.586 1.00 0.00 C ATOM 0 H LEU A 36 3.360 4.843 -18.740 1.00 0.00 H new ATOM 0 HA LEU A 36 1.087 6.133 -19.856 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.417 6.197 -17.168 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.968 7.109 -17.538 1.00 0.00 H new ATOM 0 HG LEU A 36 1.332 4.129 -17.350 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.639 4.298 -15.894 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.702 5.321 -15.326 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.684 6.056 -16.165 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.905 3.803 -18.317 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.966 5.529 -18.747 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.246 4.467 -19.501 1.00 0.00 H new ATOM 610 N THR A 37 3.759 7.943 -19.418 1.00 0.00 N ATOM 611 CA THR A 37 4.367 9.225 -19.733 1.00 0.00 C ATOM 612 C THR A 37 4.059 9.620 -21.178 1.00 0.00 C ATOM 613 O THR A 37 4.092 10.801 -21.524 1.00 0.00 O ATOM 614 CB THR A 37 5.864 9.124 -19.436 1.00 0.00 C ATOM 615 OG1 THR A 37 5.989 9.621 -18.106 1.00 0.00 O ATOM 616 CG2 THR A 37 6.695 10.096 -20.277 1.00 0.00 C ATOM 0 H THR A 37 4.399 7.253 -19.025 1.00 0.00 H new ATOM 0 HA THR A 37 3.952 10.022 -19.116 1.00 0.00 H new ATOM 0 HB THR A 37 6.202 8.104 -19.620 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.796 10.172 -18.037 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.750 9.983 -20.027 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.548 9.879 -21.335 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.380 11.118 -20.069 1.00 0.00 H new ATOM 624 N LYS A 38 3.767 8.611 -21.986 1.00 0.00 N ATOM 625 CA LYS A 38 3.454 8.838 -23.386 1.00 0.00 C ATOM 626 C LYS A 38 1.952 9.090 -23.533 1.00 0.00 C ATOM 627 O LYS A 38 1.530 9.870 -24.386 1.00 0.00 O ATOM 628 CB LYS A 38 3.970 7.681 -24.245 1.00 0.00 C ATOM 629 CG LYS A 38 4.323 8.161 -25.654 1.00 0.00 C ATOM 630 CD LYS A 38 5.827 8.406 -25.789 1.00 0.00 C ATOM 631 CE LYS A 38 6.107 9.811 -26.325 1.00 0.00 C ATOM 632 NZ LYS A 38 6.760 9.739 -27.652 1.00 0.00 N ATOM 0 H LYS A 38 3.741 7.633 -21.697 1.00 0.00 H new ATOM 0 HA LYS A 38 3.965 9.729 -23.751 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.849 7.239 -23.776 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.212 6.899 -24.302 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.005 7.418 -26.385 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.780 9.080 -25.876 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.308 8.280 -24.819 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.261 7.664 -26.459 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.174 10.370 -26.402 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.746 10.352 -25.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.943 10.701 -28.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.660 9.224 -27.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.137 9.241 -28.319 1.00 0.00 H new ATOM 646 N PHE A 39 1.184 8.417 -22.689 1.00 0.00 N ATOM 647 CA PHE A 39 -0.261 8.558 -22.715 1.00 0.00 C ATOM 648 C PHE A 39 -0.747 9.442 -21.563 1.00 0.00 C ATOM 649 O PHE A 39 -1.919 9.402 -21.197 1.00 0.00 O ATOM 650 CB PHE A 39 -0.852 7.157 -22.550 1.00 0.00 C ATOM 651 CG PHE A 39 -2.378 7.112 -22.627 1.00 0.00 C ATOM 652 CD1 PHE A 39 -3.030 7.791 -23.609 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.085 6.392 -21.714 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.448 7.749 -23.680 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.501 6.350 -21.786 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.153 7.029 -22.767 1.00 0.00 C ATOM 0 H PHE A 39 1.536 7.772 -21.982 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.572 9.022 -23.651 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.440 6.507 -23.322 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.535 6.751 -21.589 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.470 8.362 -24.335 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.568 5.852 -20.934 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.966 8.289 -24.459 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.062 5.778 -21.061 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.231 6.996 -22.821 1.00 0.00 H new ATOM 666 N LEU A 40 0.182 10.219 -21.024 1.00 0.00 N ATOM 667 CA LEU A 40 -0.136 11.110 -19.922 1.00 0.00 C ATOM 668 C LEU A 40 -1.036 12.240 -20.428 1.00 0.00 C ATOM 669 O LEU A 40 -2.175 12.377 -19.986 1.00 0.00 O ATOM 670 CB LEU A 40 1.145 11.600 -19.242 1.00 0.00 C ATOM 671 CG LEU A 40 1.228 11.382 -17.731 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.406 9.899 -17.399 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.328 12.245 -17.111 1.00 0.00 C ATOM 0 H LEU A 40 1.154 10.249 -21.330 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.695 10.579 -19.151 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.994 11.100 -19.708 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.254 12.666 -19.442 1.00 0.00 H new ATOM 0 HG LEU A 40 0.284 11.699 -17.289 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.462 9.772 -16.318 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.558 9.335 -17.787 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.325 9.532 -17.856 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.365 12.070 -16.036 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.289 11.984 -17.554 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.115 13.297 -17.300 1.00 0.00 H new ATOM 685 N GLU A 41 -0.488 13.020 -21.348 1.00 0.00 N ATOM 686 CA GLU A 41 -1.227 14.134 -21.919 1.00 0.00 C ATOM 687 C GLU A 41 -2.679 13.730 -22.181 1.00 0.00 C ATOM 688 O GLU A 41 -3.605 14.444 -21.799 1.00 0.00 O ATOM 689 CB GLU A 41 -0.558 14.636 -23.201 1.00 0.00 C ATOM 690 CG GLU A 41 -0.117 16.093 -23.055 1.00 0.00 C ATOM 691 CD GLU A 41 0.397 16.646 -24.385 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.442 16.138 -24.845 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.268 17.565 -24.912 1.00 0.00 O ATOM 0 H GLU A 41 0.458 12.903 -21.712 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.223 14.954 -21.200 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.305 14.013 -23.433 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.251 14.544 -24.037 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.954 16.697 -22.705 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.666 16.166 -22.300 1.00 0.00 H new ATOM 700 N GLU A 42 -2.833 12.586 -22.830 1.00 0.00 N ATOM 701 CA GLU A 42 -4.157 12.077 -23.147 1.00 0.00 C ATOM 702 C GLU A 42 -4.904 11.707 -21.866 1.00 0.00 C ATOM 703 O GLU A 42 -4.464 12.042 -20.766 1.00 0.00 O ATOM 704 CB GLU A 42 -4.073 10.881 -24.098 1.00 0.00 C ATOM 705 CG GLU A 42 -4.477 11.279 -25.519 1.00 0.00 C ATOM 706 CD GLU A 42 -4.371 10.088 -26.473 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.384 9.334 -26.332 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.280 9.957 -27.321 1.00 0.00 O ATOM 0 H GLU A 42 -2.063 11.996 -23.145 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.714 12.864 -23.655 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.057 10.486 -24.102 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.724 10.082 -23.742 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.499 11.659 -25.518 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.837 12.088 -25.870 1.00 0.00 H new ATOM 715 N HIS A 43 -6.023 11.019 -22.047 1.00 0.00 N ATOM 716 CA HIS A 43 -6.836 10.600 -20.918 1.00 0.00 C ATOM 717 C HIS A 43 -7.803 11.723 -20.537 1.00 0.00 C ATOM 718 O HIS A 43 -7.438 12.897 -20.565 1.00 0.00 O ATOM 719 CB HIS A 43 -5.954 10.155 -19.749 1.00 0.00 C ATOM 720 CG HIS A 43 -6.515 8.990 -18.967 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.336 9.155 -17.866 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.364 7.646 -19.139 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.658 7.956 -17.401 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.054 7.023 -18.192 1.00 0.00 N ATOM 0 H HIS A 43 -6.385 10.742 -22.959 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.434 9.732 -21.198 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.970 9.883 -20.132 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.811 10.998 -19.073 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.782 7.170 -19.914 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.287 7.754 -16.547 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.122 6.012 -18.075 1.00 0.00 H new ATOM 733 N PRO A 44 -9.049 11.311 -20.179 1.00 0.00 N ATOM 734 CA PRO A 44 -10.071 12.270 -19.793 1.00 0.00 C ATOM 735 C PRO A 44 -9.809 12.812 -18.386 1.00 0.00 C ATOM 736 O PRO A 44 -9.903 14.018 -18.154 1.00 0.00 O ATOM 737 CB PRO A 44 -11.383 11.509 -19.899 1.00 0.00 C ATOM 738 CG PRO A 44 -11.013 10.035 -19.891 1.00 0.00 C ATOM 739 CD PRO A 44 -9.515 9.928 -20.133 1.00 0.00 C ATOM 0 HA PRO A 44 -10.083 13.153 -20.433 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.043 11.750 -19.066 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.915 11.773 -20.813 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.279 9.580 -18.937 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.564 9.499 -20.664 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.024 9.371 -19.336 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.300 9.406 -21.066 1.00 0.00 H new ATOM 747 N GLY A 45 -9.485 11.899 -17.483 1.00 0.00 N ATOM 748 CA GLY A 45 -9.208 12.272 -16.106 1.00 0.00 C ATOM 749 C GLY A 45 -8.039 13.255 -16.029 1.00 0.00 C ATOM 750 O GLY A 45 -8.136 14.289 -15.368 1.00 0.00 O ATOM 0 H GLY A 45 -9.408 10.901 -17.678 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.096 12.722 -15.662 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.977 11.380 -15.523 1.00 0.00 H new ATOM 754 N GLY A 46 -6.961 12.899 -16.713 1.00 0.00 N ATOM 755 CA GLY A 46 -5.774 13.738 -16.729 1.00 0.00 C ATOM 756 C GLY A 46 -4.504 12.890 -16.823 1.00 0.00 C ATOM 757 O GLY A 46 -4.542 11.763 -17.316 1.00 0.00 O ATOM 0 H GLY A 46 -6.885 12.041 -17.260 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.821 14.424 -17.575 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.743 14.347 -15.826 1.00 0.00 H new ATOM 761 N GLU A 47 -3.411 13.464 -16.344 1.00 0.00 N ATOM 762 CA GLU A 47 -2.132 12.774 -16.369 1.00 0.00 C ATOM 763 C GLU A 47 -1.960 11.930 -15.103 1.00 0.00 C ATOM 764 O GLU A 47 -1.532 10.780 -15.175 1.00 0.00 O ATOM 765 CB GLU A 47 -0.978 13.766 -16.527 1.00 0.00 C ATOM 766 CG GLU A 47 -0.861 14.243 -17.976 1.00 0.00 C ATOM 767 CD GLU A 47 -0.218 15.629 -18.046 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.506 16.435 -17.135 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.548 15.851 -19.008 1.00 0.00 O ATOM 0 H GLU A 47 -3.384 14.399 -15.936 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.116 12.108 -17.232 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.136 14.621 -15.870 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.044 13.296 -16.218 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.266 13.533 -18.550 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.850 14.273 -18.434 1.00 0.00 H new ATOM 776 N GLU A 48 -2.305 12.534 -13.975 1.00 0.00 N ATOM 777 CA GLU A 48 -2.194 11.852 -12.698 1.00 0.00 C ATOM 778 C GLU A 48 -2.892 10.493 -12.759 1.00 0.00 C ATOM 779 O GLU A 48 -2.339 9.487 -12.317 1.00 0.00 O ATOM 780 CB GLU A 48 -2.765 12.711 -11.567 1.00 0.00 C ATOM 781 CG GLU A 48 -1.773 12.818 -10.406 1.00 0.00 C ATOM 782 CD GLU A 48 -2.417 13.500 -9.197 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.398 12.926 -8.677 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.914 14.580 -8.820 1.00 0.00 O ATOM 0 H GLU A 48 -2.661 13.488 -13.920 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.137 11.686 -12.487 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.998 13.707 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.700 12.277 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.427 11.823 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.896 13.383 -10.723 1.00 0.00 H new ATOM 791 N VAL A 49 -4.095 10.505 -13.311 1.00 0.00 N ATOM 792 CA VAL A 49 -4.874 9.285 -13.437 1.00 0.00 C ATOM 793 C VAL A 49 -3.961 8.147 -13.897 1.00 0.00 C ATOM 794 O VAL A 49 -4.248 6.977 -13.651 1.00 0.00 O ATOM 795 CB VAL A 49 -6.062 9.515 -14.373 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.588 9.805 -15.799 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.022 8.325 -14.344 1.00 0.00 C ATOM 0 H VAL A 49 -4.551 11.341 -13.677 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.291 8.997 -12.472 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.605 10.390 -14.017 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.452 9.965 -16.444 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.964 10.699 -15.800 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.010 8.958 -16.170 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.857 8.515 -15.018 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.496 7.425 -14.663 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.398 8.186 -13.331 1.00 0.00 H new ATOM 807 N LEU A 50 -2.880 8.531 -14.561 1.00 0.00 N ATOM 808 CA LEU A 50 -1.924 7.557 -15.058 1.00 0.00 C ATOM 809 C LEU A 50 -0.670 7.585 -14.181 1.00 0.00 C ATOM 810 O LEU A 50 -0.118 6.537 -13.850 1.00 0.00 O ATOM 811 CB LEU A 50 -1.640 7.796 -16.543 1.00 0.00 C ATOM 812 CG LEU A 50 -2.864 7.852 -17.460 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.982 9.221 -18.133 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.838 6.711 -18.478 1.00 0.00 C ATOM 0 H LEU A 50 -2.646 9.502 -14.766 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.337 6.550 -14.993 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.094 8.734 -16.642 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.981 7.004 -16.898 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.756 7.717 -16.849 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.860 9.234 -18.779 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.081 9.994 -17.371 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.090 9.411 -18.729 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.719 6.774 -19.117 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.939 6.789 -19.090 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.838 5.755 -17.954 1.00 0.00 H new ATOM 826 N ARG A 51 -0.259 8.793 -13.830 1.00 0.00 N ATOM 827 CA ARG A 51 0.919 8.971 -12.997 1.00 0.00 C ATOM 828 C ARG A 51 0.674 8.392 -11.602 1.00 0.00 C ATOM 829 O ARG A 51 1.525 7.687 -11.061 1.00 0.00 O ATOM 830 CB ARG A 51 1.286 10.451 -12.871 1.00 0.00 C ATOM 831 CG ARG A 51 2.779 10.622 -12.577 1.00 0.00 C ATOM 832 CD ARG A 51 3.026 10.783 -11.075 1.00 0.00 C ATOM 833 NE ARG A 51 3.760 12.042 -10.816 1.00 0.00 N ATOM 834 CZ ARG A 51 3.736 12.698 -9.648 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.013 12.221 -8.626 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.434 13.833 -9.502 1.00 0.00 N ATOM 0 H ARG A 51 -0.720 9.660 -14.107 1.00 0.00 H new ATOM 0 HA ARG A 51 1.745 8.443 -13.473 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.031 10.973 -13.794 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.700 10.908 -12.074 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.328 9.757 -12.949 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.160 11.494 -13.108 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.076 10.789 -10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.598 9.935 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 51 4.319 12.435 -11.574 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.481 11.358 -8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.995 12.721 -7.737 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.984 14.197 -10.280 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.416 14.332 -8.613 1.00 0.00 H new ATOM 850 N GLU A 52 -0.491 8.712 -11.059 1.00 0.00 N ATOM 851 CA GLU A 52 -0.858 8.234 -9.738 1.00 0.00 C ATOM 852 C GLU A 52 -0.859 6.704 -9.709 1.00 0.00 C ATOM 853 O GLU A 52 -0.763 6.100 -8.642 1.00 0.00 O ATOM 854 CB GLU A 52 -2.218 8.790 -9.311 1.00 0.00 C ATOM 855 CG GLU A 52 -2.064 9.798 -8.171 1.00 0.00 C ATOM 856 CD GLU A 52 -1.886 9.084 -6.829 1.00 0.00 C ATOM 857 OE1 GLU A 52 -1.204 8.037 -6.828 1.00 0.00 O ATOM 858 OE2 GLU A 52 -2.437 9.603 -5.832 1.00 0.00 O ATOM 0 H GLU A 52 -1.194 9.297 -11.511 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.116 8.592 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.703 9.269 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.866 7.973 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.204 10.440 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.941 10.443 -8.130 1.00 0.00 H new ATOM 865 N GLN A 53 -0.967 6.121 -10.894 1.00 0.00 N ATOM 866 CA GLN A 53 -0.981 4.675 -11.018 1.00 0.00 C ATOM 867 C GLN A 53 0.407 4.162 -11.409 1.00 0.00 C ATOM 868 O GLN A 53 0.763 3.025 -11.098 1.00 0.00 O ATOM 869 CB GLN A 53 -2.038 4.220 -12.027 1.00 0.00 C ATOM 870 CG GLN A 53 -1.719 4.746 -13.429 1.00 0.00 C ATOM 871 CD GLN A 53 -2.660 4.135 -14.470 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.396 3.091 -15.044 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.765 4.841 -14.682 1.00 0.00 N ATOM 0 H GLN A 53 -1.046 6.625 -11.777 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.245 4.250 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.084 3.131 -12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.020 4.576 -11.716 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.810 5.832 -13.444 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.686 4.510 -13.684 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.924 5.707 -14.167 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.455 4.517 -15.360 1.00 0.00 H new ATOM 882 N ALA A 54 1.152 5.023 -12.085 1.00 0.00 N ATOM 883 CA ALA A 54 2.493 4.672 -12.521 1.00 0.00 C ATOM 884 C ALA A 54 3.311 4.202 -11.317 1.00 0.00 C ATOM 885 O ALA A 54 3.418 4.914 -10.320 1.00 0.00 O ATOM 886 CB ALA A 54 3.130 5.870 -13.227 1.00 0.00 C ATOM 0 H ALA A 54 0.853 5.964 -12.342 1.00 0.00 H new ATOM 0 HA ALA A 54 2.460 3.851 -13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.136 5.607 -13.554 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.527 6.145 -14.093 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.181 6.713 -12.538 1.00 0.00 H new ATOM 892 N GLY A 55 3.866 3.006 -11.449 1.00 0.00 N ATOM 893 CA GLY A 55 4.670 2.433 -10.383 1.00 0.00 C ATOM 894 C GLY A 55 4.100 1.088 -9.929 1.00 0.00 C ATOM 895 O GLY A 55 4.326 0.665 -8.796 1.00 0.00 O ATOM 0 H GLY A 55 3.775 2.418 -12.278 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.695 2.300 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.704 3.121 -9.538 1.00 0.00 H new ATOM 899 N GLY A 56 3.373 0.453 -10.836 1.00 0.00 N ATOM 900 CA GLY A 56 2.770 -0.837 -10.544 1.00 0.00 C ATOM 901 C GLY A 56 1.629 -1.140 -11.515 1.00 0.00 C ATOM 902 O GLY A 56 1.269 -0.300 -12.339 1.00 0.00 O ATOM 0 H GLY A 56 3.188 0.808 -11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.526 -1.619 -10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.393 -0.843 -9.521 1.00 0.00 H new ATOM 906 N ASP A 57 1.088 -2.344 -11.387 1.00 0.00 N ATOM 907 CA ASP A 57 -0.005 -2.770 -12.243 1.00 0.00 C ATOM 908 C ASP A 57 -1.250 -1.939 -11.924 1.00 0.00 C ATOM 909 O ASP A 57 -1.796 -2.030 -10.824 1.00 0.00 O ATOM 910 CB ASP A 57 -0.346 -4.242 -12.008 1.00 0.00 C ATOM 911 CG ASP A 57 -1.817 -4.606 -12.220 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.638 -4.155 -11.392 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.088 -5.329 -13.204 1.00 0.00 O ATOM 0 H ASP A 57 1.388 -3.038 -10.702 1.00 0.00 H new ATOM 0 HA ASP A 57 0.304 -2.632 -13.279 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.263 -4.852 -12.675 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.065 -4.506 -10.989 1.00 0.00 H new ATOM 918 N ALA A 58 -1.662 -1.150 -12.905 1.00 0.00 N ATOM 919 CA ALA A 58 -2.833 -0.304 -12.742 1.00 0.00 C ATOM 920 C ALA A 58 -4.091 -1.114 -13.061 1.00 0.00 C ATOM 921 O ALA A 58 -5.203 -0.688 -12.755 1.00 0.00 O ATOM 922 CB ALA A 58 -2.695 0.934 -13.630 1.00 0.00 C ATOM 0 H ALA A 58 -1.207 -1.078 -13.815 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.917 0.041 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.573 1.569 -13.508 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.802 1.490 -13.343 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.611 0.627 -14.672 1.00 0.00 H new ATOM 928 N THR A 59 -3.872 -2.269 -13.674 1.00 0.00 N ATOM 929 CA THR A 59 -4.975 -3.143 -14.040 1.00 0.00 C ATOM 930 C THR A 59 -5.968 -3.258 -12.882 1.00 0.00 C ATOM 931 O THR A 59 -7.168 -3.056 -13.066 1.00 0.00 O ATOM 932 CB THR A 59 -4.388 -4.487 -14.473 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.203 -4.883 -15.572 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.609 -5.586 -13.431 1.00 0.00 C ATOM 0 H THR A 59 -2.948 -2.620 -13.926 1.00 0.00 H new ATOM 0 HA THR A 59 -5.544 -2.736 -14.876 1.00 0.00 H new ATOM 0 HB THR A 59 -3.320 -4.373 -14.660 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.927 -4.234 -15.693 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.173 -6.519 -13.788 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.134 -5.299 -12.493 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.678 -5.724 -13.269 1.00 0.00 H new ATOM 942 N GLU A 60 -5.433 -3.584 -11.714 1.00 0.00 N ATOM 943 CA GLU A 60 -6.258 -3.729 -10.526 1.00 0.00 C ATOM 944 C GLU A 60 -7.289 -2.601 -10.456 1.00 0.00 C ATOM 945 O GLU A 60 -8.411 -2.807 -9.994 1.00 0.00 O ATOM 946 CB GLU A 60 -5.398 -3.766 -9.262 1.00 0.00 C ATOM 947 CG GLU A 60 -5.463 -5.142 -8.596 1.00 0.00 C ATOM 948 CD GLU A 60 -6.020 -5.037 -7.175 1.00 0.00 C ATOM 949 OE1 GLU A 60 -7.221 -4.711 -7.058 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.230 -5.284 -6.237 1.00 0.00 O ATOM 0 H GLU A 60 -4.438 -3.752 -11.565 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.790 -4.678 -10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.364 -3.528 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.740 -3.003 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.091 -5.807 -9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.467 -5.584 -8.568 1.00 0.00 H new ATOM 957 N ASN A 61 -6.872 -1.432 -10.920 1.00 0.00 N ATOM 958 CA ASN A 61 -7.746 -0.270 -10.914 1.00 0.00 C ATOM 959 C ASN A 61 -8.486 -0.187 -12.250 1.00 0.00 C ATOM 960 O ASN A 61 -9.714 -0.141 -12.283 1.00 0.00 O ATOM 961 CB ASN A 61 -6.943 1.022 -10.737 1.00 0.00 C ATOM 962 CG ASN A 61 -7.486 1.849 -9.570 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.625 2.286 -9.563 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.611 2.038 -8.588 1.00 0.00 N ATOM 0 H ASN A 61 -5.941 -1.264 -11.302 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.445 -0.378 -10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.895 0.782 -10.560 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.985 1.609 -11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.878 2.577 -7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.673 1.644 -8.658 1.00 0.00 H new ATOM 971 N PHE A 62 -7.707 -0.172 -13.322 1.00 0.00 N ATOM 972 CA PHE A 62 -8.272 -0.095 -14.658 1.00 0.00 C ATOM 973 C PHE A 62 -9.355 -1.158 -14.857 1.00 0.00 C ATOM 974 O PHE A 62 -10.138 -1.083 -15.802 1.00 0.00 O ATOM 975 CB PHE A 62 -7.131 -0.357 -15.644 1.00 0.00 C ATOM 976 CG PHE A 62 -7.427 -1.461 -16.660 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.600 -2.744 -16.241 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.517 -1.160 -17.984 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.876 -3.768 -17.185 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.792 -2.184 -18.928 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.964 -3.467 -18.509 1.00 0.00 C ATOM 0 H PHE A 62 -6.688 -0.212 -13.292 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.727 0.883 -14.813 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.909 0.566 -16.180 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.235 -0.624 -15.084 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.527 -2.983 -15.190 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.379 -0.142 -18.317 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.016 -4.786 -16.852 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.865 -1.945 -19.979 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.170 -4.247 -19.227 1.00 0.00 H new ATOM 991 N GLU A 63 -9.362 -2.125 -13.951 1.00 0.00 N ATOM 992 CA GLU A 63 -10.336 -3.204 -14.015 1.00 0.00 C ATOM 993 C GLU A 63 -11.673 -2.746 -13.429 1.00 0.00 C ATOM 994 O GLU A 63 -12.731 -3.051 -13.974 1.00 0.00 O ATOM 995 CB GLU A 63 -9.819 -4.450 -13.294 1.00 0.00 C ATOM 996 CG GLU A 63 -9.035 -5.351 -14.251 1.00 0.00 C ATOM 997 CD GLU A 63 -9.979 -6.138 -15.163 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.408 -5.550 -16.179 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.249 -7.310 -14.823 1.00 0.00 O ATOM 0 H GLU A 63 -8.710 -2.185 -13.169 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.491 -3.468 -15.061 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.180 -4.154 -12.462 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.657 -5.004 -12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.361 -4.745 -14.856 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.416 -6.042 -13.680 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.581 -2.019 -12.324 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.770 -1.517 -11.657 1.00 0.00 C ATOM 1008 C ASP A 64 -13.430 -0.451 -12.535 1.00 0.00 C ATOM 1009 O ASP A 64 -14.654 -0.383 -12.619 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.419 -0.873 -10.314 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.294 -1.310 -9.138 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.094 -2.455 -8.677 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -14.143 -0.490 -8.728 1.00 0.00 O ATOM 0 H ASP A 64 -10.701 -1.766 -11.874 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.442 -2.358 -11.488 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.380 -1.103 -10.079 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.491 0.210 -10.418 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.587 0.353 -13.166 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.073 1.412 -14.035 1.00 0.00 C ATOM 1020 C VAL A 65 -13.525 0.808 -15.365 1.00 0.00 C ATOM 1021 O VAL A 65 -13.956 1.528 -16.263 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.996 2.487 -14.202 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.618 1.946 -13.819 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.992 3.042 -15.627 1.00 0.00 C ATOM 0 H VAL A 65 -11.571 0.293 -13.093 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.939 1.903 -13.591 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.233 3.307 -13.525 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.871 2.730 -13.947 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.630 1.623 -12.778 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.369 1.099 -14.459 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.218 3.804 -15.719 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.792 2.235 -16.331 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.964 3.484 -15.848 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.410 -0.511 -15.450 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.802 -1.220 -16.656 1.00 0.00 C ATOM 1036 C GLY A 66 -13.525 -0.377 -17.902 1.00 0.00 C ATOM 1037 O GLY A 66 -14.446 0.189 -18.490 1.00 0.00 O ATOM 0 H GLY A 66 -13.051 -1.106 -14.703 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.258 -2.162 -16.722 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.862 -1.467 -16.608 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.254 -0.320 -18.269 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.844 0.444 -19.436 1.00 0.00 C ATOM 1043 C HIS A 67 -12.517 -0.127 -20.684 1.00 0.00 C ATOM 1044 O HIS A 67 -13.238 -1.120 -20.607 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.319 0.485 -19.547 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.664 1.518 -18.662 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.229 1.236 -17.378 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.376 2.832 -18.887 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.704 2.339 -16.863 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.796 3.326 -17.800 1.00 0.00 N ATOM 0 H HIS A 67 -11.493 -0.791 -17.779 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.170 1.479 -19.334 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.921 -0.498 -19.296 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.046 0.684 -20.583 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.300 0.333 -16.908 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.584 3.378 -19.795 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.278 2.439 -15.875 1.00 0.00 H new ATOM 1059 N SER A 68 -12.255 0.525 -21.807 1.00 0.00 N ATOM 1060 CA SER A 68 -12.826 0.095 -23.072 1.00 0.00 C ATOM 1061 C SER A 68 -11.763 -0.615 -23.913 1.00 0.00 C ATOM 1062 O SER A 68 -10.569 -0.361 -23.754 1.00 0.00 O ATOM 1063 CB SER A 68 -13.410 1.279 -23.845 1.00 0.00 C ATOM 1064 OG SER A 68 -12.438 1.904 -24.679 1.00 0.00 O ATOM 0 H SER A 68 -11.655 1.348 -21.867 1.00 0.00 H new ATOM 0 HA SER A 68 -13.637 -0.601 -22.860 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.245 0.937 -24.456 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.808 2.010 -23.142 1.00 0.00 H new ATOM 0 HG SER A 68 -12.850 2.654 -25.157 1.00 0.00 H new ATOM 1070 N THR A 69 -12.234 -1.490 -24.789 1.00 0.00 N ATOM 1071 CA THR A 69 -11.337 -2.238 -25.655 1.00 0.00 C ATOM 1072 C THR A 69 -10.398 -1.287 -26.399 1.00 0.00 C ATOM 1073 O THR A 69 -9.254 -1.637 -26.687 1.00 0.00 O ATOM 1074 CB THR A 69 -12.190 -3.101 -26.585 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.233 -2.228 -27.013 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.923 -4.219 -25.839 1.00 0.00 C ATOM 0 H THR A 69 -13.224 -1.698 -24.918 1.00 0.00 H new ATOM 0 HA THR A 69 -10.689 -2.898 -25.079 1.00 0.00 H new ATOM 0 HB THR A 69 -11.556 -3.535 -27.358 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.832 -2.708 -27.622 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.514 -4.801 -26.546 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.196 -4.869 -25.352 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.582 -3.784 -25.087 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.916 -0.102 -26.690 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.137 0.901 -27.396 1.00 0.00 C ATOM 1086 C ASP A 70 -8.971 1.348 -26.514 1.00 0.00 C ATOM 1087 O ASP A 70 -7.820 1.341 -26.950 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.988 2.133 -27.716 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.265 3.233 -28.495 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -10.210 3.106 -29.736 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -9.785 4.177 -27.830 1.00 0.00 O ATOM 0 H ASP A 70 -11.865 0.185 -26.450 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.779 0.458 -28.325 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.859 1.815 -28.289 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.358 2.554 -26.781 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.307 1.726 -25.289 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.300 2.176 -24.343 1.00 0.00 C ATOM 1098 C ALA A 71 -7.161 1.157 -24.294 1.00 0.00 C ATOM 1099 O ALA A 71 -5.988 1.529 -24.337 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.948 2.391 -22.973 1.00 0.00 C ATOM 0 H ALA A 71 -10.262 1.730 -24.930 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.876 3.130 -24.658 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.193 2.729 -22.263 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.732 3.144 -23.055 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.381 1.454 -22.624 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.543 -0.109 -24.207 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.567 -1.184 -24.153 1.00 0.00 C ATOM 1108 C ARG A 72 -5.745 -1.218 -25.442 1.00 0.00 C ATOM 1109 O ARG A 72 -4.536 -1.449 -25.405 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.250 -2.538 -23.954 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.269 -2.477 -22.816 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.912 -3.846 -22.580 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.384 -3.740 -22.697 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.231 -4.749 -22.452 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.757 -5.946 -22.079 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -12.551 -4.563 -22.582 1.00 0.00 N ATOM 0 H ARG A 72 -8.516 -0.414 -24.173 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.910 -0.994 -23.304 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.748 -2.837 -24.877 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.500 -3.298 -23.735 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.779 -2.139 -21.903 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.041 -1.745 -23.053 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.532 -4.565 -23.305 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.643 -4.218 -21.591 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.778 -2.843 -22.982 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.752 -6.089 -21.982 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.402 -6.714 -21.892 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.912 -3.653 -22.868 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.195 -5.332 -22.395 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.431 -0.987 -26.551 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.778 -0.988 -27.849 1.00 0.00 C ATOM 1132 C GLU A 73 -4.768 0.158 -27.939 1.00 0.00 C ATOM 1133 O GLU A 73 -3.629 -0.045 -28.355 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.806 -0.902 -28.980 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.520 -1.945 -30.062 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.598 -1.919 -31.148 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.736 -2.325 -30.828 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.259 -1.492 -32.273 1.00 0.00 O ATOM 0 H GLU A 73 -7.433 -0.798 -26.578 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.240 -1.929 -27.961 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.808 -1.055 -28.578 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.787 0.096 -29.418 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.544 -1.753 -30.508 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.475 -2.937 -29.613 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.223 1.336 -27.538 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.373 2.514 -27.568 1.00 0.00 C ATOM 1147 C LEU A 74 -3.121 2.256 -26.726 1.00 0.00 C ATOM 1148 O LEU A 74 -2.026 2.678 -27.092 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.160 3.753 -27.135 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.759 4.367 -25.793 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.689 5.443 -25.978 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.984 4.901 -25.046 1.00 0.00 C ATOM 0 H LEU A 74 -6.168 1.500 -27.191 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.038 2.716 -28.585 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.053 4.515 -27.907 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.217 3.490 -27.091 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.322 3.581 -25.177 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.423 5.862 -25.008 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.805 5.001 -26.437 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.075 6.234 -26.621 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.671 5.332 -24.095 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.472 5.667 -25.649 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.682 4.085 -24.862 1.00 0.00 H new ATOM 1164 N SER A 75 -3.326 1.563 -25.615 1.00 0.00 N ATOM 1165 CA SER A 75 -2.228 1.245 -24.718 1.00 0.00 C ATOM 1166 C SER A 75 -1.222 0.336 -25.427 1.00 0.00 C ATOM 1167 O SER A 75 -0.022 0.415 -25.172 1.00 0.00 O ATOM 1168 CB SER A 75 -2.737 0.578 -23.440 1.00 0.00 C ATOM 1169 OG SER A 75 -3.084 -0.788 -23.651 1.00 0.00 O ATOM 0 H SER A 75 -4.236 1.213 -25.316 1.00 0.00 H new ATOM 0 HA SER A 75 -1.734 2.175 -24.437 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.970 0.642 -22.668 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.607 1.120 -23.070 1.00 0.00 H new ATOM 0 HG SER A 75 -3.485 -0.890 -24.539 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.750 -0.508 -26.303 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.912 -1.431 -27.050 1.00 0.00 C ATOM 1177 C LYS A 76 0.070 -0.638 -27.913 1.00 0.00 C ATOM 1178 O LYS A 76 1.070 -1.181 -28.380 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.775 -2.413 -27.845 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.485 -3.858 -27.432 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.163 -4.847 -28.383 1.00 0.00 C ATOM 1182 CE LYS A 76 -1.274 -6.068 -28.625 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.085 -7.212 -29.099 1.00 0.00 N ATOM 0 H LYS A 76 -2.746 -0.572 -26.512 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.318 -2.042 -26.370 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.829 -2.189 -27.683 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.583 -2.290 -28.911 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.409 -4.030 -27.429 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.837 -4.027 -26.414 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.118 -5.165 -27.964 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.379 -4.356 -29.332 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.508 -5.827 -29.362 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.757 -6.338 -27.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.467 -8.033 -29.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.800 -7.451 -28.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.558 -6.957 -29.989 1.00 0.00 H new ATOM 1197 N THR A 77 -0.248 0.635 -28.098 1.00 0.00 N ATOM 1198 CA THR A 77 0.595 1.509 -28.897 1.00 0.00 C ATOM 1199 C THR A 77 1.659 2.171 -28.019 1.00 0.00 C ATOM 1200 O THR A 77 2.677 2.643 -28.523 1.00 0.00 O ATOM 1201 CB THR A 77 -0.311 2.511 -29.615 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.542 3.529 -28.642 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.703 1.945 -29.899 1.00 0.00 C ATOM 0 H THR A 77 -1.078 1.082 -27.708 1.00 0.00 H new ATOM 0 HA THR A 77 1.145 0.948 -29.652 1.00 0.00 H new ATOM 0 HB THR A 77 0.155 2.814 -30.553 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.910 3.126 -27.828 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.304 2.697 -30.409 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.614 1.061 -30.531 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.184 1.673 -28.959 1.00 0.00 H new ATOM 1211 N PHE A 78 1.389 2.182 -26.723 1.00 0.00 N ATOM 1212 CA PHE A 78 2.310 2.777 -25.771 1.00 0.00 C ATOM 1213 C PHE A 78 3.061 1.699 -24.987 1.00 0.00 C ATOM 1214 O PHE A 78 3.944 2.010 -24.186 1.00 0.00 O ATOM 1215 CB PHE A 78 1.473 3.610 -24.798 1.00 0.00 C ATOM 1216 CG PHE A 78 0.995 4.945 -25.372 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.883 5.787 -25.965 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.318 5.288 -25.291 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.438 7.026 -26.498 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.762 6.526 -25.825 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.125 7.370 -26.416 1.00 0.00 C ATOM 0 H PHE A 78 0.544 1.788 -26.309 1.00 0.00 H new ATOM 0 HA PHE A 78 3.046 3.385 -26.297 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.605 3.027 -24.491 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.062 3.802 -23.901 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.926 5.514 -26.031 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.023 4.619 -24.820 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.143 7.695 -26.969 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.805 6.798 -25.762 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.213 8.313 -26.820 1.00 0.00 H new ATOM 1231 N ILE A 79 2.683 0.455 -25.243 1.00 0.00 N ATOM 1232 CA ILE A 79 3.309 -0.670 -24.570 1.00 0.00 C ATOM 1233 C ILE A 79 4.819 -0.625 -24.810 1.00 0.00 C ATOM 1234 O ILE A 79 5.269 -0.563 -25.953 1.00 0.00 O ATOM 1235 CB ILE A 79 2.656 -1.984 -25.002 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.475 -2.335 -24.095 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.686 -3.113 -25.067 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.163 -3.831 -24.156 1.00 0.00 C ATOM 0 H ILE A 79 1.951 0.202 -25.907 1.00 0.00 H new ATOM 0 HA ILE A 79 3.155 -0.604 -23.493 1.00 0.00 H new ATOM 0 HB ILE A 79 2.259 -1.853 -26.009 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.703 -2.049 -23.068 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.597 -1.764 -24.398 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.195 -4.036 -25.377 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.463 -2.856 -25.787 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.135 -3.253 -24.084 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.320 -4.054 -23.502 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.912 -4.109 -25.180 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.035 -4.398 -23.830 1.00 0.00 H new ATOM 1250 N ILE A 80 5.562 -0.660 -23.713 1.00 0.00 N ATOM 1251 CA ILE A 80 7.014 -0.625 -23.790 1.00 0.00 C ATOM 1252 C ILE A 80 7.571 -2.012 -23.463 1.00 0.00 C ATOM 1253 O ILE A 80 8.637 -2.387 -23.951 1.00 0.00 O ATOM 1254 CB ILE A 80 7.570 0.487 -22.897 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.676 0.709 -21.676 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.780 1.775 -23.696 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.426 1.468 -20.580 1.00 0.00 C ATOM 0 H ILE A 80 5.186 -0.712 -22.766 1.00 0.00 H new ATOM 0 HA ILE A 80 7.337 -0.382 -24.802 1.00 0.00 H new ATOM 0 HB ILE A 80 8.546 0.173 -22.527 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.787 1.268 -21.968 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.335 -0.252 -21.290 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.176 2.550 -23.040 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.486 1.590 -24.506 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.828 2.104 -24.113 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.769 1.613 -19.723 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.301 0.894 -20.273 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.744 2.438 -20.962 1.00 0.00 H new ATOM 1269 N GLY A 81 6.825 -2.736 -22.642 1.00 0.00 N ATOM 1270 CA GLY A 81 7.231 -4.074 -22.245 1.00 0.00 C ATOM 1271 C GLY A 81 6.093 -4.803 -21.528 1.00 0.00 C ATOM 1272 O GLY A 81 4.921 -4.517 -21.765 1.00 0.00 O ATOM 0 H GLY A 81 5.942 -2.422 -22.241 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.534 -4.642 -23.125 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.100 -4.015 -21.589 1.00 0.00 H new ATOM 1276 N GLU A 82 6.479 -5.733 -20.666 1.00 0.00 N ATOM 1277 CA GLU A 82 5.506 -6.505 -19.914 1.00 0.00 C ATOM 1278 C GLU A 82 6.115 -6.982 -18.594 1.00 0.00 C ATOM 1279 O GLU A 82 7.335 -7.011 -18.443 1.00 0.00 O ATOM 1280 CB GLU A 82 4.986 -7.684 -20.737 1.00 0.00 C ATOM 1281 CG GLU A 82 5.009 -7.361 -22.232 1.00 0.00 C ATOM 1282 CD GLU A 82 4.547 -8.563 -23.060 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.762 -9.363 -22.508 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.990 -8.652 -24.225 1.00 0.00 O ATOM 0 H GLU A 82 7.452 -5.969 -20.472 1.00 0.00 H new ATOM 0 HA GLU A 82 4.656 -5.861 -19.688 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.597 -8.566 -20.542 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.969 -7.927 -20.429 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.363 -6.506 -22.433 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.018 -7.075 -22.531 1.00 0.00 H new ATOM 1291 N LEU A 83 5.236 -7.346 -17.671 1.00 0.00 N ATOM 1292 CA LEU A 83 5.672 -7.822 -16.369 1.00 0.00 C ATOM 1293 C LEU A 83 6.324 -9.196 -16.525 1.00 0.00 C ATOM 1294 O LEU A 83 5.685 -10.143 -16.982 1.00 0.00 O ATOM 1295 CB LEU A 83 4.508 -7.802 -15.375 1.00 0.00 C ATOM 1296 CG LEU A 83 4.891 -7.784 -13.894 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.328 -8.274 -13.693 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.668 -6.399 -13.286 1.00 0.00 C ATOM 0 H LEU A 83 4.224 -7.321 -17.799 1.00 0.00 H new ATOM 0 HA LEU A 83 6.428 -7.156 -15.953 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.895 -6.925 -15.582 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.885 -8.677 -15.558 1.00 0.00 H new ATOM 0 HG LEU A 83 4.237 -8.477 -13.364 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.575 -8.251 -12.632 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.420 -9.294 -14.065 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.013 -7.626 -14.239 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.948 -6.415 -12.233 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.280 -5.667 -13.813 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.617 -6.126 -13.378 1.00 0.00 H new ATOM 1310 N HIS A 84 7.588 -9.264 -16.137 1.00 0.00 N ATOM 1311 CA HIS A 84 8.335 -10.508 -16.228 1.00 0.00 C ATOM 1312 C HIS A 84 7.770 -11.519 -15.229 1.00 0.00 C ATOM 1313 O HIS A 84 6.782 -11.241 -14.551 1.00 0.00 O ATOM 1314 CB HIS A 84 9.833 -10.258 -16.037 1.00 0.00 C ATOM 1315 CG HIS A 84 10.686 -10.738 -17.187 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.339 -11.223 -18.413 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.070 -10.749 -17.140 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.449 -11.513 -19.079 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.523 -11.221 -18.291 1.00 0.00 N flip ATOM 0 H HIS A 84 8.115 -8.477 -15.758 1.00 0.00 H new ATOM 0 HA HIS A 84 8.222 -10.933 -17.225 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.998 -9.190 -15.897 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.160 -10.754 -15.123 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.677 -10.427 -16.306 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.495 -11.914 -20.081 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.503 -11.345 -18.544 1.00 0.00 H new ATOM 1328 N PRO A 85 8.440 -12.701 -15.167 1.00 0.00 N ATOM 1329 CA PRO A 85 8.016 -13.755 -14.261 1.00 0.00 C ATOM 1330 C PRO A 85 8.398 -13.424 -12.817 1.00 0.00 C ATOM 1331 O PRO A 85 8.283 -14.271 -11.932 1.00 0.00 O ATOM 1332 CB PRO A 85 8.689 -15.014 -14.781 1.00 0.00 C ATOM 1333 CG PRO A 85 9.829 -14.542 -15.670 1.00 0.00 C ATOM 1334 CD PRO A 85 9.614 -13.064 -15.955 1.00 0.00 C ATOM 0 HA PRO A 85 6.933 -13.879 -14.237 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.062 -15.625 -13.959 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.986 -15.629 -15.342 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.788 -14.701 -15.178 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.850 -15.111 -16.599 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.483 -12.474 -15.665 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.448 -12.886 -17.017 1.00 0.00 H new ATOM 1342 N ASP A 86 8.844 -12.192 -12.624 1.00 0.00 N ATOM 1343 CA ASP A 86 9.244 -11.739 -11.303 1.00 0.00 C ATOM 1344 C ASP A 86 7.995 -11.443 -10.470 1.00 0.00 C ATOM 1345 O ASP A 86 8.040 -11.485 -9.242 1.00 0.00 O ATOM 1346 CB ASP A 86 10.070 -10.454 -11.387 1.00 0.00 C ATOM 1347 CG ASP A 86 9.727 -9.395 -10.340 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.291 -9.490 -9.229 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.907 -8.511 -10.674 1.00 0.00 O ATOM 0 H ASP A 86 8.937 -11.493 -13.361 1.00 0.00 H new ATOM 0 HA ASP A 86 9.845 -12.525 -10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.125 -10.711 -11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.938 -10.019 -12.378 1.00 0.00 H new ATOM 1354 N ASP A 87 6.910 -11.153 -11.173 1.00 0.00 N ATOM 1355 CA ASP A 87 5.651 -10.851 -10.514 1.00 0.00 C ATOM 1356 C ASP A 87 4.588 -10.541 -11.570 1.00 0.00 C ATOM 1357 O ASP A 87 3.897 -9.528 -11.482 1.00 0.00 O ATOM 1358 CB ASP A 87 5.784 -9.627 -9.604 1.00 0.00 C ATOM 1359 CG ASP A 87 6.290 -9.924 -8.191 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.655 -10.772 -7.528 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.299 -9.295 -7.806 1.00 0.00 O ATOM 0 H ASP A 87 6.877 -11.121 -12.192 1.00 0.00 H new ATOM 0 HA ASP A 87 5.369 -11.717 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.462 -8.915 -10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.812 -9.140 -9.531 1.00 0.00 H new ATOM 1366 N ARG A 88 4.492 -11.434 -12.545 1.00 0.00 N ATOM 1367 CA ARG A 88 3.525 -11.268 -13.618 1.00 0.00 C ATOM 1368 C ARG A 88 2.231 -12.012 -13.285 1.00 0.00 C ATOM 1369 O ARG A 88 1.143 -11.442 -13.367 1.00 0.00 O ATOM 1370 CB ARG A 88 4.080 -11.791 -14.944 1.00 0.00 C ATOM 1371 CG ARG A 88 4.451 -13.270 -14.837 1.00 0.00 C ATOM 1372 CD ARG A 88 5.248 -13.727 -16.061 1.00 0.00 C ATOM 1373 NE ARG A 88 5.236 -15.204 -16.152 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.477 -15.890 -17.279 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.747 -15.236 -18.416 1.00 0.00 N ATOM 1376 NH2 ARG A 88 5.445 -17.229 -17.266 1.00 0.00 N ATOM 0 H ARG A 88 5.067 -12.274 -12.614 1.00 0.00 H new ATOM 0 HA ARG A 88 3.319 -10.202 -13.718 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.339 -11.654 -15.732 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.958 -11.212 -15.229 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.038 -13.437 -13.934 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.546 -13.870 -14.744 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.820 -13.295 -16.966 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.275 -13.367 -15.991 1.00 0.00 H new ATOM 0 HE ARG A 88 5.032 -15.734 -15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.769 -14.216 -18.425 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.930 -15.758 -19.273 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.237 -17.726 -16.400 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.628 -17.752 -18.122 1.00 0.00 H new ATOM 1390 N SER A 89 2.389 -13.275 -12.916 1.00 0.00 N ATOM 1391 CA SER A 89 1.247 -14.103 -12.570 1.00 0.00 C ATOM 1392 C SER A 89 0.654 -13.646 -11.235 1.00 0.00 C ATOM 1393 O SER A 89 -0.390 -14.143 -10.813 1.00 0.00 O ATOM 1394 CB SER A 89 1.638 -15.581 -12.500 1.00 0.00 C ATOM 1395 OG SER A 89 2.576 -15.834 -11.457 1.00 0.00 O ATOM 0 H SER A 89 3.292 -13.745 -12.849 1.00 0.00 H new ATOM 0 HA SER A 89 0.495 -13.991 -13.351 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.745 -16.185 -12.340 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.065 -15.889 -13.455 1.00 0.00 H new ATOM 0 HG SER A 89 2.800 -16.788 -11.443 1.00 0.00 H new ATOM 1401 N LYS A 90 1.345 -12.705 -10.609 1.00 0.00 N ATOM 1402 CA LYS A 90 0.900 -12.176 -9.331 1.00 0.00 C ATOM 1403 C LYS A 90 -0.005 -10.966 -9.572 1.00 0.00 C ATOM 1404 O LYS A 90 -0.729 -10.538 -8.674 1.00 0.00 O ATOM 1405 CB LYS A 90 2.098 -11.877 -8.429 1.00 0.00 C ATOM 1406 CG LYS A 90 2.143 -12.839 -7.240 1.00 0.00 C ATOM 1407 CD LYS A 90 3.541 -13.434 -7.067 1.00 0.00 C ATOM 1408 CE LYS A 90 3.638 -14.244 -5.773 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.642 -13.649 -4.863 1.00 0.00 N ATOM 0 H LYS A 90 2.210 -12.295 -10.963 1.00 0.00 H new ATOM 0 HA LYS A 90 0.306 -12.918 -8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.020 -11.960 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.039 -10.850 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.853 -12.312 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.419 -13.640 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.776 -14.073 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.281 -12.634 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.665 -14.273 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.911 -15.274 -6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.695 -14.211 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.572 -13.643 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.365 -12.674 -4.631 1.00 0.00 H new ATOM 1423 N ILE A 91 0.067 -10.447 -10.789 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.737 -9.294 -11.160 1.00 0.00 C ATOM 1425 C ILE A 91 -1.648 -9.668 -12.332 1.00 0.00 C ATOM 1426 O ILE A 91 -2.778 -9.188 -12.422 1.00 0.00 O ATOM 1427 CB ILE A 91 0.157 -8.084 -11.438 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.619 -8.069 -12.897 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.336 -8.038 -10.464 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.449 -6.818 -13.194 1.00 0.00 C ATOM 0 H ILE A 91 0.669 -10.803 -11.531 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.384 -9.000 -10.334 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.430 -7.180 -11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.211 -8.961 -13.104 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.248 -8.101 -13.557 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.956 -7.168 -10.683 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.962 -7.968 -9.443 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.932 -8.944 -10.571 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.766 -6.831 -14.237 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.846 -5.929 -13.008 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.327 -6.802 -12.548 1.00 0.00 H new ATOM 1442 N THR A 92 -1.123 -10.522 -13.199 1.00 0.00 N ATOM 1443 CA THR A 92 -1.874 -10.965 -14.361 1.00 0.00 C ATOM 1444 C THR A 92 -3.362 -11.079 -14.022 1.00 0.00 C ATOM 1445 O THR A 92 -4.217 -10.744 -14.840 1.00 0.00 O ATOM 1446 CB THR A 92 -1.260 -12.279 -14.847 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.801 -12.452 -16.154 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.773 -13.491 -14.067 1.00 0.00 C ATOM 0 H THR A 92 -0.187 -10.919 -13.120 1.00 0.00 H new ATOM 0 HA THR A 92 -1.812 -10.240 -15.173 1.00 0.00 H new ATOM 0 HB THR A 92 -0.175 -12.226 -14.760 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.454 -13.281 -16.545 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.305 -14.397 -14.453 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.525 -13.376 -13.012 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.855 -13.565 -14.180 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.626 -11.554 -12.813 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.996 -11.716 -12.356 1.00 0.00 C ATOM 1458 C LYS A 93 -5.326 -10.614 -11.347 1.00 0.00 C ATOM 1459 O LYS A 93 -4.636 -10.462 -10.340 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.216 -13.131 -11.816 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.703 -13.401 -11.579 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.918 -14.191 -10.286 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.181 -15.049 -10.370 1.00 0.00 C ATOM 1464 NZ LYS A 93 -8.296 -15.921 -9.179 1.00 0.00 N ATOM 0 H LYS A 93 -2.915 -11.832 -12.137 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.691 -11.605 -13.188 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.818 -13.860 -12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.666 -13.258 -10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.244 -12.456 -11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.114 -13.957 -12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.054 -14.828 -10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.997 -13.503 -9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.059 -14.408 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.154 -15.659 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.159 -16.497 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.466 -16.546 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.343 -15.334 -8.322 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.410 -9.854 -11.660 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.841 -8.771 -10.792 1.00 0.00 C ATOM 1480 C PRO A 94 -7.537 -9.313 -9.542 1.00 0.00 C ATOM 1481 O PRO A 94 -6.971 -9.291 -8.452 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.750 -7.914 -11.656 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.167 -8.792 -12.825 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.251 -10.006 -12.844 1.00 0.00 C ATOM 0 HA PRO A 94 -6.008 -8.182 -10.408 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.620 -7.576 -11.092 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.230 -7.022 -12.004 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.207 -9.100 -12.720 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.091 -8.241 -13.763 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.822 -10.934 -12.808 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.652 -10.036 -13.754 1.00 0.00 H new ATOM 1492 N SER A 95 -8.759 -9.789 -9.745 1.00 0.00 N ATOM 1493 CA SER A 95 -9.539 -10.336 -8.649 1.00 0.00 C ATOM 1494 C SER A 95 -10.962 -10.638 -9.119 1.00 0.00 C ATOM 1495 O SER A 95 -11.367 -11.797 -9.184 1.00 0.00 O ATOM 1496 CB SER A 95 -9.566 -9.375 -7.459 1.00 0.00 C ATOM 1497 OG SER A 95 -9.769 -8.026 -7.866 1.00 0.00 O ATOM 0 H SER A 95 -9.226 -9.806 -10.652 1.00 0.00 H new ATOM 0 HA SER A 95 -9.067 -11.263 -8.323 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.360 -9.670 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.627 -9.451 -6.911 1.00 0.00 H new ATOM 0 HG SER A 95 -9.781 -7.445 -7.077 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.684 -9.572 -9.437 1.00 0.00 N ATOM 1504 CA GLU A 96 -13.056 -9.707 -9.901 1.00 0.00 C ATOM 1505 C GLU A 96 -13.958 -10.178 -8.758 1.00 0.00 C ATOM 1506 O GLU A 96 -13.565 -11.028 -7.960 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.139 -10.663 -11.093 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.824 -11.973 -10.700 1.00 0.00 C ATOM 1509 CD GLU A 96 -13.648 -13.034 -11.789 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -12.478 -13.296 -12.138 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -14.687 -13.556 -12.245 1.00 0.00 O ATOM 0 H GLU A 96 -11.345 -8.612 -9.383 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.405 -8.730 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.691 -10.190 -11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.137 -10.871 -11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.407 -12.338 -9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.886 -11.795 -10.529 1.00 0.00 H new ATOM 1518 N SER A 97 -15.151 -9.602 -8.714 1.00 0.00 N ATOM 1519 CA SER A 97 -16.112 -9.950 -7.683 1.00 0.00 C ATOM 1520 C SER A 97 -17.339 -9.042 -7.781 1.00 0.00 C ATOM 1521 O SER A 97 -17.257 -7.939 -8.318 1.00 0.00 O ATOM 1522 CB SER A 97 -15.487 -9.848 -6.289 1.00 0.00 C ATOM 1523 OG SER A 97 -16.474 -9.776 -5.265 1.00 0.00 O ATOM 0 H SER A 97 -15.473 -8.896 -9.377 1.00 0.00 H new ATOM 0 HA SER A 97 -16.420 -10.984 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.847 -10.713 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.850 -8.965 -6.241 1.00 0.00 H new ATOM 0 HG SER A 97 -16.035 -9.714 -4.391 1.00 0.00 H new ATOM 1529 N ILE A 98 -18.449 -9.539 -7.256 1.00 0.00 N ATOM 1530 CA ILE A 98 -19.691 -8.786 -7.278 1.00 0.00 C ATOM 1531 C ILE A 98 -20.750 -9.534 -6.466 1.00 0.00 C ATOM 1532 O ILE A 98 -20.858 -10.756 -6.556 1.00 0.00 O ATOM 1533 CB ILE A 98 -20.113 -8.492 -8.718 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -21.064 -7.295 -8.779 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -20.714 -9.735 -9.378 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -20.288 -5.977 -8.762 1.00 0.00 C ATOM 0 H ILE A 98 -18.514 -10.455 -6.812 1.00 0.00 H new ATOM 0 HA ILE A 98 -19.556 -7.813 -6.806 1.00 0.00 H new ATOM 0 HB ILE A 98 -19.222 -8.224 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -21.670 -7.353 -9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -21.751 -7.328 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -21.006 -9.499 -10.401 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -19.974 -10.536 -9.387 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -21.591 -10.057 -8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -20.988 -5.142 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -19.702 -5.911 -7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -19.620 -5.937 -9.623 1.00 0.00 H new ATOM 1548 N ILE A 99 -21.506 -8.769 -5.692 1.00 0.00 N ATOM 1549 CA ILE A 99 -22.554 -9.344 -4.866 1.00 0.00 C ATOM 1550 C ILE A 99 -23.799 -8.457 -4.938 1.00 0.00 C ATOM 1551 O ILE A 99 -23.697 -7.259 -5.198 1.00 0.00 O ATOM 1552 CB ILE A 99 -22.046 -9.576 -3.442 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -22.980 -10.513 -2.672 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -21.835 -8.250 -2.711 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -22.184 -11.520 -1.841 1.00 0.00 C ATOM 0 H ILE A 99 -21.414 -7.756 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 99 -22.840 -10.326 -5.242 1.00 0.00 H new ATOM 0 HB ILE A 99 -21.075 -10.067 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -23.629 -9.929 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -23.626 -11.043 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -21.474 -8.445 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -21.101 -7.650 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -22.779 -7.708 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -22.872 -12.173 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -21.555 -12.118 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -21.557 -10.987 -1.126 1.00 0.00 H new ATOM 1567 N THR A 100 -24.944 -9.079 -4.701 1.00 0.00 N ATOM 1568 CA THR A 100 -26.207 -8.362 -4.737 1.00 0.00 C ATOM 1569 C THR A 100 -27.185 -8.955 -3.720 1.00 0.00 C ATOM 1570 O THR A 100 -26.868 -9.932 -3.045 1.00 0.00 O ATOM 1571 CB THR A 100 -26.731 -8.394 -6.174 1.00 0.00 C ATOM 1572 OG1 THR A 100 -26.835 -9.784 -6.473 1.00 0.00 O ATOM 1573 CG2 THR A 100 -25.706 -7.871 -7.182 1.00 0.00 C ATOM 0 H THR A 100 -25.024 -10.072 -4.483 1.00 0.00 H new ATOM 0 HA THR A 100 -26.077 -7.319 -4.448 1.00 0.00 H new ATOM 0 HB THR A 100 -27.642 -7.800 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 100 -27.170 -9.898 -7.387 1.00 0.00 H new ATOM 0 HG21 THR A 100 -26.128 -7.915 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 100 -25.452 -6.839 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 100 -24.807 -8.486 -7.139 1.00 0.00 H new ATOM 1581 N THR A 101 -28.354 -8.336 -3.642 1.00 0.00 N ATOM 1582 CA THR A 101 -29.381 -8.790 -2.719 1.00 0.00 C ATOM 1583 C THR A 101 -30.742 -8.208 -3.107 1.00 0.00 C ATOM 1584 O THR A 101 -31.026 -7.044 -2.826 1.00 0.00 O ATOM 1585 CB THR A 101 -28.942 -8.416 -1.302 1.00 0.00 C ATOM 1586 OG1 THR A 101 -30.082 -8.705 -0.498 1.00 0.00 O ATOM 1587 CG2 THR A 101 -28.736 -6.909 -1.131 1.00 0.00 C ATOM 0 H THR A 101 -28.613 -7.524 -4.203 1.00 0.00 H new ATOM 0 HA THR A 101 -29.501 -9.872 -2.763 1.00 0.00 H new ATOM 0 HB THR A 101 -28.016 -8.938 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 101 -29.884 -8.493 0.438 1.00 0.00 H new ATOM 0 HG21 THR A 101 -28.425 -6.698 -0.108 1.00 0.00 H new ATOM 0 HG22 THR A 101 -27.966 -6.566 -1.822 1.00 0.00 H new ATOM 0 HG23 THR A 101 -29.670 -6.388 -1.341 1.00 0.00 H new ATOM 1595 N ILE A 102 -31.546 -9.044 -3.745 1.00 0.00 N ATOM 1596 CA ILE A 102 -32.871 -8.628 -4.174 1.00 0.00 C ATOM 1597 C ILE A 102 -32.863 -7.123 -4.452 1.00 0.00 C ATOM 1598 O ILE A 102 -32.340 -6.679 -5.473 1.00 0.00 O ATOM 1599 CB ILE A 102 -33.925 -9.058 -3.153 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -35.281 -8.420 -3.462 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -33.462 -8.758 -1.725 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -36.321 -9.485 -3.818 1.00 0.00 C ATOM 0 H ILE A 102 -31.306 -10.008 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 102 -33.142 -9.124 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 102 -34.052 -10.138 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -35.622 -7.848 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -35.176 -7.718 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -34.230 -9.074 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -32.538 -9.299 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -33.288 -7.688 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -37.275 -9.004 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -35.988 -10.040 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -36.441 -10.171 -2.979 1.00 0.00 H new ATOM 1614 N ASP A 103 -33.447 -6.379 -3.525 1.00 0.00 N ATOM 1615 CA ASP A 103 -33.513 -4.934 -3.656 1.00 0.00 C ATOM 1616 C ASP A 103 -34.404 -4.575 -4.848 1.00 0.00 C ATOM 1617 O ASP A 103 -34.439 -5.301 -5.841 1.00 0.00 O ATOM 1618 CB ASP A 103 -32.126 -4.339 -3.906 1.00 0.00 C ATOM 1619 CG ASP A 103 -32.034 -2.820 -3.743 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -32.668 -2.312 -2.793 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -31.332 -2.202 -4.572 1.00 0.00 O ATOM 0 H ASP A 103 -33.879 -6.750 -2.679 1.00 0.00 H new ATOM 0 HA ASP A 103 -33.916 -4.529 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -31.418 -4.806 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -31.812 -4.600 -4.917 1.00 0.00 H new