USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 634 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 67 CYS SG : rot 60:sc= -0.164 USER MOD Set 1.2: A 70 CYS SG : rot -39:sc= -0.607 USER MOD Set 1.3: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 74 TYR OH : rot 146:sc= -0.994 USER MOD Set 1.5: A 83 HIS : no HD1:sc= -0.293 K(o=-6.1,f=-11) USER MOD Set 1.6: A 88 HIS : no HD1:sc= -4! C(o=-6.1!,f=-11!) USER MOD Set 2.1: A 46 CYS SG : rot -100:sc= -0.624 USER MOD Set 2.2: A 51 HIS : no HE2:sc= -0.0894 K(o=-0.71,f=-2) USER MOD Set 3.1: A 39 CYS SG : rot -158:sc= -0.598 USER MOD Set 3.2: A 42 CYS SG : rot 180:sc= -1.53 USER MOD Set 3.3: A 55 HIS : no HD1:sc= -2.11! C(o=-6.5!,f=-9.3!) USER MOD Set 3.4: A 60 HIS : no HE2:sc= -2.28 K(o=-6.5,f=-11!) USER MOD Set 4.1: A 17 TYR OH : rot 112:sc= -0.157 USER MOD Set 4.2: A 24 ASN : amide:sc= 0.017 K(o=-0.14,f=-1.3) USER MOD Set 5.1: A 12 CYS SG : rot -164:sc= 0.094 USER MOD Set 5.2: A 15 CYS SG : rot 180:sc= -2.85! USER MOD Set 5.3: A 28 HIS : no HD1:sc= -13.3! C(o=-16!,f=-22!) USER MOD Set 5.4: A 31 LYS NZ :NH3+ -115:sc= 0.0363 (180deg=0) USER MOD Set 5.5: A 32 HIS : no HE2:sc= 0.0465 K(o=-16,f=-19) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.08 (180deg=0.964) USER MOD Single : A 14 GLN : amide:sc= -2.09 X(o=-2.1,f=-2.2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 50:sc= -0.0503 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.26! K(o=-2.3!,f=-0.76) USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= -0.243 (180deg=-2.61!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= -0.0422 (180deg=-0.646) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.8!) USER MOD Single : A 66 HIS : no HD1:sc= 0.0983 K(o=0.098,f=-1.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.25) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -27.800 -19.399 -29.349 1.00 0.00 N ATOM 67 CA LYS A 8 -27.902 -18.085 -29.972 1.00 0.00 C ATOM 68 C LYS A 8 -28.006 -18.209 -31.489 1.00 0.00 C ATOM 69 O LYS A 8 -27.024 -18.059 -32.217 1.00 0.00 O ATOM 70 CB LYS A 8 -26.691 -17.226 -29.602 1.00 0.00 C ATOM 71 CG LYS A 8 -26.385 -17.216 -28.114 1.00 0.00 C ATOM 72 CD LYS A 8 -24.917 -16.927 -27.849 1.00 0.00 C ATOM 73 CE LYS A 8 -24.096 -18.207 -27.803 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.868 -18.049 -26.976 1.00 0.00 N ATOM 0 HA LYS A 8 -28.807 -17.604 -29.601 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -25.818 -17.592 -30.142 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.866 -16.203 -29.935 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -27.000 -16.464 -27.620 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -26.651 -18.180 -27.680 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -24.528 -16.272 -28.628 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -24.815 -16.394 -26.904 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -24.705 -19.015 -27.398 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.817 -18.496 -28.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.336 -18.943 -26.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.274 -17.295 -27.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -23.135 -17.798 -26.003 1.00 0.00 H new ATOM 88 N PRO A 9 -29.223 -18.488 -31.979 1.00 0.00 N ATOM 89 CA PRO A 9 -29.484 -18.635 -33.414 1.00 0.00 C ATOM 90 C PRO A 9 -29.379 -17.311 -34.162 1.00 0.00 C ATOM 91 O PRO A 9 -28.965 -17.272 -35.321 1.00 0.00 O ATOM 92 CB PRO A 9 -30.920 -19.163 -33.461 1.00 0.00 C ATOM 93 CG PRO A 9 -31.540 -18.687 -32.193 1.00 0.00 C ATOM 94 CD PRO A 9 -30.438 -18.679 -31.170 1.00 0.00 C ATOM 0 HA PRO A 9 -28.758 -19.291 -33.895 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -31.454 -18.781 -34.331 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -30.940 -20.251 -33.528 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -31.965 -17.691 -32.316 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -32.353 -19.345 -31.885 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -30.568 -17.876 -30.445 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -30.404 -19.613 -30.608 1.00 0.00 H new ATOM 102 N TYR A 10 -29.755 -16.227 -33.492 1.00 0.00 N ATOM 103 CA TYR A 10 -29.705 -14.900 -34.094 1.00 0.00 C ATOM 104 C TYR A 10 -28.264 -14.421 -34.238 1.00 0.00 C ATOM 105 O TYR A 10 -27.620 -14.047 -33.257 1.00 0.00 O ATOM 106 CB TYR A 10 -30.504 -13.904 -33.252 1.00 0.00 C ATOM 107 CG TYR A 10 -31.957 -14.284 -33.081 1.00 0.00 C ATOM 108 CD1 TYR A 10 -32.340 -15.240 -32.148 1.00 0.00 C ATOM 109 CD2 TYR A 10 -32.947 -13.689 -33.853 1.00 0.00 C ATOM 110 CE1 TYR A 10 -33.667 -15.591 -31.989 1.00 0.00 C ATOM 111 CE2 TYR A 10 -34.276 -14.032 -33.699 1.00 0.00 C ATOM 112 CZ TYR A 10 -34.631 -14.984 -32.766 1.00 0.00 C ATOM 113 OH TYR A 10 -35.954 -15.330 -32.611 1.00 0.00 O ATOM 0 H TYR A 10 -30.098 -16.241 -32.531 1.00 0.00 H new ATOM 0 HA TYR A 10 -30.149 -14.963 -35.088 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -30.041 -13.819 -32.269 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -30.447 -12.920 -33.717 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -31.588 -15.717 -31.537 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -32.673 -12.945 -34.586 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -33.948 -16.337 -31.260 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -35.033 -13.557 -34.306 1.00 0.00 H new ATOM 0 HH TYR A 10 -36.503 -14.809 -33.233 1.00 0.00 H new ATOM 123 N LYS A 11 -27.762 -14.436 -35.468 1.00 0.00 N ATOM 124 CA LYS A 11 -26.398 -14.002 -35.744 1.00 0.00 C ATOM 125 C LYS A 11 -26.366 -12.532 -36.150 1.00 0.00 C ATOM 126 O LYS A 11 -27.321 -12.017 -36.732 1.00 0.00 O ATOM 127 CB LYS A 11 -25.781 -14.860 -36.851 1.00 0.00 C ATOM 128 CG LYS A 11 -25.829 -16.351 -36.562 1.00 0.00 C ATOM 129 CD LYS A 11 -24.925 -16.723 -35.399 1.00 0.00 C ATOM 130 CE LYS A 11 -24.961 -18.218 -35.121 1.00 0.00 C ATOM 131 NZ LYS A 11 -26.321 -18.676 -34.725 1.00 0.00 N ATOM 0 H LYS A 11 -28.280 -14.745 -36.291 1.00 0.00 H new ATOM 0 HA LYS A 11 -25.814 -14.122 -34.831 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -26.304 -14.663 -37.787 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -24.743 -14.560 -36.996 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -26.854 -16.646 -36.336 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -25.526 -16.905 -37.451 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -23.902 -16.417 -35.620 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -25.235 -16.178 -34.507 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -24.640 -18.761 -36.010 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -24.252 -18.457 -34.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -26.283 -19.677 -34.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -26.660 -18.106 -33.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -26.972 -18.565 -35.528 1.00 0.00 H new ATOM 145 N CYS A 12 -25.262 -11.861 -35.839 1.00 0.00 N ATOM 146 CA CYS A 12 -25.105 -10.450 -36.172 1.00 0.00 C ATOM 147 C CYS A 12 -24.614 -10.281 -37.607 1.00 0.00 C ATOM 148 O CYS A 12 -23.580 -10.820 -38.003 1.00 0.00 O ATOM 149 CB CYS A 12 -24.125 -9.782 -35.204 1.00 0.00 C ATOM 150 SG CYS A 12 -23.898 -7.997 -35.490 1.00 0.00 S ATOM 0 H CYS A 12 -24.463 -12.272 -35.357 1.00 0.00 H new ATOM 0 HA CYS A 12 -26.080 -9.970 -36.081 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -24.478 -9.934 -34.184 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -23.158 -10.278 -35.283 1.00 0.00 H new ATOM 0 HG CYS A 12 -22.830 -7.590 -34.870 1.00 0.00 H new ATOM 155 N PRO A 13 -25.372 -9.515 -38.405 1.00 0.00 N ATOM 156 CA PRO A 13 -25.034 -9.256 -39.808 1.00 0.00 C ATOM 157 C PRO A 13 -23.806 -8.364 -39.953 1.00 0.00 C ATOM 158 O PRO A 13 -23.391 -8.042 -41.066 1.00 0.00 O ATOM 159 CB PRO A 13 -26.278 -8.546 -40.347 1.00 0.00 C ATOM 160 CG PRO A 13 -26.905 -7.918 -39.151 1.00 0.00 C ATOM 161 CD PRO A 13 -26.617 -8.842 -38.000 1.00 0.00 C ATOM 0 HA PRO A 13 -24.784 -10.172 -40.343 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -26.014 -7.798 -41.094 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.958 -9.249 -40.827 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -26.491 -6.926 -38.969 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -27.979 -7.794 -39.293 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -26.492 -8.294 -37.066 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -27.427 -9.555 -37.845 1.00 0.00 H new ATOM 169 N GLN A 14 -23.231 -7.967 -38.823 1.00 0.00 N ATOM 170 CA GLN A 14 -22.051 -7.111 -38.826 1.00 0.00 C ATOM 171 C GLN A 14 -20.826 -7.871 -38.327 1.00 0.00 C ATOM 172 O GLN A 14 -19.700 -7.598 -38.745 1.00 0.00 O ATOM 173 CB GLN A 14 -22.289 -5.876 -37.956 1.00 0.00 C ATOM 174 CG GLN A 14 -23.563 -5.123 -38.303 1.00 0.00 C ATOM 175 CD GLN A 14 -23.547 -3.690 -37.810 1.00 0.00 C ATOM 176 OE1 GLN A 14 -24.451 -3.257 -37.094 1.00 0.00 O ATOM 177 NE2 GLN A 14 -22.517 -2.944 -38.191 1.00 0.00 N ATOM 0 H GLN A 14 -23.563 -8.224 -37.894 1.00 0.00 H new ATOM 0 HA GLN A 14 -21.866 -6.794 -39.852 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -22.331 -6.181 -36.910 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -21.439 -5.201 -38.057 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -23.701 -5.130 -39.384 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -24.417 -5.643 -37.869 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -21.790 -3.343 -38.785 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -22.453 -1.972 -37.890 1.00 0.00 H new ATOM 186 N CYS A 15 -21.053 -8.826 -37.431 1.00 0.00 N ATOM 187 CA CYS A 15 -19.969 -9.625 -36.873 1.00 0.00 C ATOM 188 C CYS A 15 -20.447 -11.037 -36.545 1.00 0.00 C ATOM 189 O CYS A 15 -21.587 -11.400 -36.833 1.00 0.00 O ATOM 190 CB CYS A 15 -19.410 -8.958 -35.615 1.00 0.00 C ATOM 191 SG CYS A 15 -20.420 -9.224 -34.122 1.00 0.00 S ATOM 0 H CYS A 15 -21.979 -9.065 -37.076 1.00 0.00 H new ATOM 0 HA CYS A 15 -19.179 -9.693 -37.621 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -18.404 -9.336 -35.432 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -19.320 -7.887 -35.794 1.00 0.00 H new ATOM 0 HG CYS A 15 -19.866 -8.623 -33.111 1.00 0.00 H new ATOM 196 N SER A 16 -19.566 -11.828 -35.941 1.00 0.00 N ATOM 197 CA SER A 16 -19.897 -13.201 -35.576 1.00 0.00 C ATOM 198 C SER A 16 -20.559 -13.254 -34.203 1.00 0.00 C ATOM 199 O SER A 16 -20.309 -14.166 -33.415 1.00 0.00 O ATOM 200 CB SER A 16 -18.637 -14.069 -35.581 1.00 0.00 C ATOM 201 OG SER A 16 -18.099 -14.180 -36.887 1.00 0.00 O ATOM 0 H SER A 16 -18.618 -11.542 -35.694 1.00 0.00 H new ATOM 0 HA SER A 16 -20.600 -13.588 -36.314 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.892 -13.637 -34.913 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.874 -15.061 -35.196 1.00 0.00 H new ATOM 0 HG SER A 16 -17.294 -14.738 -36.863 1.00 0.00 H new ATOM 207 N TYR A 17 -21.405 -12.269 -33.923 1.00 0.00 N ATOM 208 CA TYR A 17 -22.102 -12.200 -32.644 1.00 0.00 C ATOM 209 C TYR A 17 -23.427 -12.955 -32.705 1.00 0.00 C ATOM 210 O TYR A 17 -24.092 -12.982 -33.741 1.00 0.00 O ATOM 211 CB TYR A 17 -22.350 -10.743 -32.252 1.00 0.00 C ATOM 212 CG TYR A 17 -23.299 -10.582 -31.085 1.00 0.00 C ATOM 213 CD1 TYR A 17 -22.833 -10.617 -29.777 1.00 0.00 C ATOM 214 CD2 TYR A 17 -24.660 -10.398 -31.292 1.00 0.00 C ATOM 215 CE1 TYR A 17 -23.696 -10.471 -28.707 1.00 0.00 C ATOM 216 CE2 TYR A 17 -25.530 -10.250 -30.229 1.00 0.00 C ATOM 217 CZ TYR A 17 -25.044 -10.288 -28.939 1.00 0.00 C ATOM 218 OH TYR A 17 -25.907 -10.143 -27.877 1.00 0.00 O ATOM 0 H TYR A 17 -21.625 -11.507 -34.565 1.00 0.00 H new ATOM 0 HA TYR A 17 -21.471 -12.669 -31.889 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -21.398 -10.276 -32.002 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -22.751 -10.207 -33.112 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -21.779 -10.761 -29.593 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -25.045 -10.370 -32.301 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -23.318 -10.500 -27.696 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -26.585 -10.105 -30.407 1.00 0.00 H new ATOM 0 HH TYR A 17 -26.256 -9.227 -27.861 1.00 0.00 H new ATOM 228 N ALA A 18 -23.805 -13.566 -31.587 1.00 0.00 N ATOM 229 CA ALA A 18 -25.050 -14.318 -31.511 1.00 0.00 C ATOM 230 C ALA A 18 -25.799 -14.012 -30.218 1.00 0.00 C ATOM 231 O ALA A 18 -25.187 -13.774 -29.177 1.00 0.00 O ATOM 232 CB ALA A 18 -24.773 -15.810 -31.621 1.00 0.00 C ATOM 0 H ALA A 18 -23.266 -13.554 -30.721 1.00 0.00 H new ATOM 0 HA ALA A 18 -25.680 -14.013 -32.346 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -25.712 -16.360 -31.563 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -24.288 -16.021 -32.574 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -24.120 -16.120 -30.805 1.00 0.00 H new ATOM 238 N SER A 19 -27.126 -14.018 -30.292 1.00 0.00 N ATOM 239 CA SER A 19 -27.958 -13.736 -29.128 1.00 0.00 C ATOM 240 C SER A 19 -29.202 -14.619 -29.123 1.00 0.00 C ATOM 241 O SER A 19 -30.014 -14.572 -30.047 1.00 0.00 O ATOM 242 CB SER A 19 -28.365 -12.262 -29.111 1.00 0.00 C ATOM 243 OG SER A 19 -28.367 -11.718 -30.419 1.00 0.00 O ATOM 0 H SER A 19 -27.648 -14.215 -31.146 1.00 0.00 H new ATOM 0 HA SER A 19 -27.375 -13.955 -28.234 1.00 0.00 H new ATOM 0 HB2 SER A 19 -29.357 -12.161 -28.670 1.00 0.00 H new ATOM 0 HB3 SER A 19 -27.677 -11.699 -28.481 1.00 0.00 H new ATOM 0 HG SER A 19 -28.876 -12.305 -31.017 1.00 0.00 H new ATOM 249 N ALA A 20 -29.345 -15.424 -28.075 1.00 0.00 N ATOM 250 CA ALA A 20 -30.491 -16.316 -27.948 1.00 0.00 C ATOM 251 C ALA A 20 -31.802 -15.542 -28.030 1.00 0.00 C ATOM 252 O ALA A 20 -32.821 -16.074 -28.469 1.00 0.00 O ATOM 253 CB ALA A 20 -30.413 -17.091 -26.641 1.00 0.00 C ATOM 0 H ALA A 20 -28.682 -15.477 -27.302 1.00 0.00 H new ATOM 0 HA ALA A 20 -30.465 -17.022 -28.778 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -31.275 -17.753 -26.559 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -29.498 -17.683 -26.623 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -30.411 -16.393 -25.804 1.00 0.00 H new ATOM 259 N ILE A 21 -31.768 -14.284 -27.603 1.00 0.00 N ATOM 260 CA ILE A 21 -32.953 -13.437 -27.629 1.00 0.00 C ATOM 261 C ILE A 21 -32.883 -12.427 -28.769 1.00 0.00 C ATOM 262 O ILE A 21 -31.809 -11.929 -29.107 1.00 0.00 O ATOM 263 CB ILE A 21 -33.135 -12.681 -26.299 1.00 0.00 C ATOM 264 CG1 ILE A 21 -33.184 -13.667 -25.130 1.00 0.00 C ATOM 265 CG2 ILE A 21 -34.398 -11.834 -26.339 1.00 0.00 C ATOM 266 CD1 ILE A 21 -32.944 -13.020 -23.784 1.00 0.00 C ATOM 0 H ILE A 21 -30.932 -13.829 -27.235 1.00 0.00 H new ATOM 0 HA ILE A 21 -33.807 -14.096 -27.783 1.00 0.00 H new ATOM 0 HB ILE A 21 -32.282 -12.018 -26.155 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -34.157 -14.158 -25.120 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -32.436 -14.444 -25.289 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -34.512 -11.306 -25.392 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -34.325 -11.111 -27.151 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -35.263 -12.477 -26.502 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -32.993 -13.778 -23.002 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -31.959 -12.553 -23.775 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -33.707 -12.262 -23.603 1.00 0.00 H new ATOM 278 N LYS A 22 -34.036 -12.126 -29.358 1.00 0.00 N ATOM 279 CA LYS A 22 -34.107 -11.173 -30.459 1.00 0.00 C ATOM 280 C LYS A 22 -33.678 -9.782 -30.002 1.00 0.00 C ATOM 281 O LYS A 22 -32.794 -9.168 -30.599 1.00 0.00 O ATOM 282 CB LYS A 22 -35.529 -11.120 -31.023 1.00 0.00 C ATOM 283 CG LYS A 22 -35.663 -10.234 -32.250 1.00 0.00 C ATOM 284 CD LYS A 22 -36.751 -10.737 -33.184 1.00 0.00 C ATOM 285 CE LYS A 22 -36.866 -9.867 -34.426 1.00 0.00 C ATOM 286 NZ LYS A 22 -35.936 -10.312 -35.502 1.00 0.00 N ATOM 0 H LYS A 22 -34.934 -12.529 -29.091 1.00 0.00 H new ATOM 0 HA LYS A 22 -33.425 -11.506 -31.241 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -35.848 -12.131 -31.278 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -36.205 -10.758 -30.248 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -35.891 -9.214 -31.940 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -34.712 -10.201 -32.782 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -36.534 -11.764 -33.477 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -37.706 -10.750 -32.658 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -37.891 -9.896 -34.796 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -36.651 -8.831 -34.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -36.044 -9.694 -36.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -34.956 -10.260 -35.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -36.158 -11.292 -35.769 1.00 0.00 H new ATOM 300 N ALA A 23 -34.310 -9.291 -28.941 1.00 0.00 N ATOM 301 CA ALA A 23 -33.990 -7.975 -28.403 1.00 0.00 C ATOM 302 C ALA A 23 -32.483 -7.745 -28.373 1.00 0.00 C ATOM 303 O ALA A 23 -31.973 -6.827 -29.015 1.00 0.00 O ATOM 304 CB ALA A 23 -34.578 -7.818 -27.008 1.00 0.00 C ATOM 0 H ALA A 23 -35.047 -9.785 -28.437 1.00 0.00 H new ATOM 0 HA ALA A 23 -34.432 -7.225 -29.059 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -34.331 -6.830 -26.618 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -35.661 -7.929 -27.055 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -34.163 -8.582 -26.350 1.00 0.00 H new ATOM 310 N ASN A 24 -31.776 -8.583 -27.622 1.00 0.00 N ATOM 311 CA ASN A 24 -30.327 -8.470 -27.508 1.00 0.00 C ATOM 312 C ASN A 24 -29.705 -8.072 -28.843 1.00 0.00 C ATOM 313 O ASN A 24 -29.069 -7.023 -28.956 1.00 0.00 O ATOM 314 CB ASN A 24 -29.727 -9.793 -27.028 1.00 0.00 C ATOM 315 CG ASN A 24 -28.504 -9.590 -26.155 1.00 0.00 C ATOM 316 OD1 ASN A 24 -27.816 -8.574 -26.256 1.00 0.00 O ATOM 317 ND2 ASN A 24 -28.227 -10.560 -25.290 1.00 0.00 N ATOM 0 H ASN A 24 -32.183 -9.348 -27.083 1.00 0.00 H new ATOM 0 HA ASN A 24 -30.105 -7.692 -26.778 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -30.480 -10.349 -26.470 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -29.457 -10.401 -27.892 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -27.417 -10.480 -24.676 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.825 -11.385 -25.240 1.00 0.00 H new ATOM 324 N LEU A 25 -29.894 -8.915 -29.852 1.00 0.00 N ATOM 325 CA LEU A 25 -29.352 -8.652 -31.181 1.00 0.00 C ATOM 326 C LEU A 25 -29.530 -7.185 -31.560 1.00 0.00 C ATOM 327 O LEU A 25 -28.628 -6.566 -32.124 1.00 0.00 O ATOM 328 CB LEU A 25 -30.036 -9.545 -32.218 1.00 0.00 C ATOM 329 CG LEU A 25 -29.387 -9.583 -33.602 1.00 0.00 C ATOM 330 CD1 LEU A 25 -27.927 -9.995 -33.497 1.00 0.00 C ATOM 331 CD2 LEU A 25 -30.146 -10.530 -34.520 1.00 0.00 C ATOM 0 H LEU A 25 -30.418 -9.787 -29.776 1.00 0.00 H new ATOM 0 HA LEU A 25 -28.286 -8.877 -31.163 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -30.070 -10.562 -31.827 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -31.068 -9.212 -32.331 1.00 0.00 H new ATOM 0 HG LEU A 25 -29.430 -8.581 -34.030 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -27.482 -10.016 -34.492 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -27.391 -9.278 -32.875 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -27.860 -10.986 -33.048 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -29.671 -10.545 -35.501 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -30.135 -11.534 -34.096 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -31.177 -10.190 -34.622 1.00 0.00 H new ATOM 343 N ASN A 26 -30.697 -6.635 -31.244 1.00 0.00 N ATOM 344 CA ASN A 26 -30.993 -5.240 -31.551 1.00 0.00 C ATOM 345 C ASN A 26 -30.027 -4.307 -30.826 1.00 0.00 C ATOM 346 O ASN A 26 -29.452 -3.400 -31.428 1.00 0.00 O ATOM 347 CB ASN A 26 -32.433 -4.904 -31.160 1.00 0.00 C ATOM 348 CG ASN A 26 -33.447 -5.737 -31.921 1.00 0.00 C ATOM 349 OD1 ASN A 26 -34.030 -5.280 -32.905 1.00 0.00 O ATOM 350 ND2 ASN A 26 -33.664 -6.966 -31.466 1.00 0.00 N ATOM 0 H ASN A 26 -31.454 -7.133 -30.775 1.00 0.00 H new ATOM 0 HA ASN A 26 -30.872 -5.097 -32.625 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -32.563 -5.066 -30.090 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -32.621 -3.847 -31.348 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -34.336 -7.572 -31.936 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -33.158 -7.303 -30.647 1.00 0.00 H new ATOM 357 N VAL A 27 -29.853 -4.537 -29.528 1.00 0.00 N ATOM 358 CA VAL A 27 -28.956 -3.720 -28.720 1.00 0.00 C ATOM 359 C VAL A 27 -27.503 -3.919 -29.139 1.00 0.00 C ATOM 360 O VAL A 27 -26.718 -2.972 -29.166 1.00 0.00 O ATOM 361 CB VAL A 27 -29.095 -4.046 -27.222 1.00 0.00 C ATOM 362 CG1 VAL A 27 -28.044 -5.059 -26.795 1.00 0.00 C ATOM 363 CG2 VAL A 27 -28.994 -2.777 -26.389 1.00 0.00 C ATOM 0 H VAL A 27 -30.322 -5.283 -29.014 1.00 0.00 H new ATOM 0 HA VAL A 27 -29.240 -2.681 -28.886 1.00 0.00 H new ATOM 0 HB VAL A 27 -30.078 -4.486 -27.054 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -28.159 -5.277 -25.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -28.169 -5.977 -27.369 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -27.050 -4.650 -26.976 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -29.094 -3.026 -25.333 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -28.026 -2.305 -26.560 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -29.789 -2.089 -26.677 1.00 0.00 H new ATOM 373 N HIS A 28 -27.153 -5.159 -29.467 1.00 0.00 N ATOM 374 CA HIS A 28 -25.794 -5.484 -29.886 1.00 0.00 C ATOM 375 C HIS A 28 -25.415 -4.711 -31.146 1.00 0.00 C ATOM 376 O HIS A 28 -24.249 -4.368 -31.349 1.00 0.00 O ATOM 377 CB HIS A 28 -25.660 -6.986 -30.136 1.00 0.00 C ATOM 378 CG HIS A 28 -24.376 -7.370 -30.806 1.00 0.00 C ATOM 379 ND1 HIS A 28 -23.224 -7.669 -30.109 1.00 0.00 N ATOM 380 CD2 HIS A 28 -24.067 -7.504 -32.117 1.00 0.00 C ATOM 381 CE1 HIS A 28 -22.262 -7.969 -30.963 1.00 0.00 C ATOM 382 NE2 HIS A 28 -22.747 -7.877 -32.188 1.00 0.00 N ATOM 0 H HIS A 28 -27.791 -5.955 -29.451 1.00 0.00 H new ATOM 0 HA HIS A 28 -25.114 -5.195 -29.085 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -25.735 -7.512 -29.185 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -26.495 -7.319 -30.752 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -24.734 -7.347 -32.952 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.250 -8.243 -30.703 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -22.226 -8.054 -33.047 1.00 0.00 H new ATOM 390 N LEU A 29 -26.405 -4.439 -31.988 1.00 0.00 N ATOM 391 CA LEU A 29 -26.176 -3.707 -33.229 1.00 0.00 C ATOM 392 C LEU A 29 -25.939 -2.226 -32.951 1.00 0.00 C ATOM 393 O LEU A 29 -25.356 -1.516 -33.771 1.00 0.00 O ATOM 394 CB LEU A 29 -27.368 -3.876 -34.172 1.00 0.00 C ATOM 395 CG LEU A 29 -27.614 -5.291 -34.696 1.00 0.00 C ATOM 396 CD1 LEU A 29 -29.045 -5.436 -35.191 1.00 0.00 C ATOM 397 CD2 LEU A 29 -26.628 -5.628 -35.805 1.00 0.00 C ATOM 0 H LEU A 29 -27.375 -4.714 -31.834 1.00 0.00 H new ATOM 0 HA LEU A 29 -25.284 -4.116 -33.704 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -28.266 -3.541 -33.653 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -27.227 -3.213 -35.026 1.00 0.00 H new ATOM 0 HG LEU A 29 -27.462 -5.993 -33.876 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -29.201 -6.450 -35.560 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -29.735 -5.238 -34.371 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -29.225 -4.725 -35.997 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -26.818 -6.639 -36.166 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -26.748 -4.921 -36.626 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -25.611 -5.566 -35.419 1.00 0.00 H new ATOM 409 N ARG A 30 -26.392 -1.767 -31.789 1.00 0.00 N ATOM 410 CA ARG A 30 -26.228 -0.371 -31.403 1.00 0.00 C ATOM 411 C ARG A 30 -24.755 -0.034 -31.194 1.00 0.00 C ATOM 412 O ARG A 30 -24.311 1.075 -31.494 1.00 0.00 O ATOM 413 CB ARG A 30 -27.015 -0.078 -30.124 1.00 0.00 C ATOM 414 CG ARG A 30 -28.515 -0.278 -30.273 1.00 0.00 C ATOM 415 CD ARG A 30 -29.253 0.067 -28.989 1.00 0.00 C ATOM 416 NE ARG A 30 -30.680 -0.226 -29.082 1.00 0.00 N ATOM 417 CZ ARG A 30 -31.559 0.579 -29.670 1.00 0.00 C ATOM 418 NH1 ARG A 30 -31.158 1.719 -30.214 1.00 0.00 N ATOM 419 NH2 ARG A 30 -32.842 0.242 -29.715 1.00 0.00 N ATOM 0 H ARG A 30 -26.875 -2.342 -31.099 1.00 0.00 H new ATOM 0 HA ARG A 30 -26.614 0.251 -32.211 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -26.648 -0.723 -29.326 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -26.823 0.950 -29.816 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -28.887 0.345 -31.086 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -28.720 -1.313 -30.545 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -28.821 -0.495 -28.161 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -29.114 1.124 -28.764 1.00 0.00 H new ATOM 0 HE ARG A 30 -31.021 -1.096 -28.673 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -30.173 1.980 -30.182 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -31.835 2.335 -30.665 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -33.154 -0.635 -29.298 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -33.516 0.860 -30.166 1.00 0.00 H new ATOM 433 N LYS A 31 -24.000 -0.998 -30.677 1.00 0.00 N ATOM 434 CA LYS A 31 -22.576 -0.806 -30.428 1.00 0.00 C ATOM 435 C LYS A 31 -21.792 -0.793 -31.737 1.00 0.00 C ATOM 436 O LYS A 31 -20.624 -0.405 -31.768 1.00 0.00 O ATOM 437 CB LYS A 31 -22.044 -1.910 -29.513 1.00 0.00 C ATOM 438 CG LYS A 31 -21.466 -3.097 -30.264 1.00 0.00 C ATOM 439 CD LYS A 31 -21.002 -4.187 -29.313 1.00 0.00 C ATOM 440 CE LYS A 31 -22.180 -4.920 -28.689 1.00 0.00 C ATOM 441 NZ LYS A 31 -21.735 -5.985 -27.747 1.00 0.00 N ATOM 0 H LYS A 31 -24.351 -1.921 -30.422 1.00 0.00 H new ATOM 0 HA LYS A 31 -22.445 0.158 -29.937 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -21.275 -1.492 -28.863 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -22.852 -2.257 -28.869 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -22.218 -3.501 -30.942 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -20.628 -2.767 -30.877 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.373 -4.897 -29.850 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.387 -3.748 -28.527 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.812 -4.207 -28.159 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.790 -5.363 -29.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.016 -6.915 -28.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.700 -5.950 -27.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.178 -5.834 -26.818 1.00 0.00 H new ATOM 455 N HIS A 32 -22.443 -1.218 -32.815 1.00 0.00 N ATOM 456 CA HIS A 32 -21.806 -1.254 -34.127 1.00 0.00 C ATOM 457 C HIS A 32 -21.985 0.076 -34.854 1.00 0.00 C ATOM 458 O HIS A 32 -21.921 0.138 -36.082 1.00 0.00 O ATOM 459 CB HIS A 32 -22.387 -2.390 -34.969 1.00 0.00 C ATOM 460 CG HIS A 32 -21.787 -3.728 -34.665 1.00 0.00 C ATOM 461 ND1 HIS A 32 -20.433 -3.980 -34.739 1.00 0.00 N ATOM 462 CD2 HIS A 32 -22.364 -4.891 -34.283 1.00 0.00 C ATOM 463 CE1 HIS A 32 -20.204 -5.240 -34.417 1.00 0.00 C ATOM 464 NE2 HIS A 32 -21.359 -5.816 -34.136 1.00 0.00 N ATOM 0 H HIS A 32 -23.410 -1.542 -32.806 1.00 0.00 H new ATOM 0 HA HIS A 32 -20.740 -1.429 -33.981 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -23.464 -2.438 -34.806 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -22.234 -2.164 -36.024 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -19.720 -3.299 -35.001 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -23.419 -5.060 -34.123 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -19.236 -5.719 -34.388 1.00 0.00 H new ATOM 508 N LYS A 36 -15.332 3.066 -32.612 1.00 0.00 N ATOM 509 CA LYS A 36 -14.907 2.282 -31.459 1.00 0.00 C ATOM 510 C LYS A 36 -13.445 2.558 -31.122 1.00 0.00 C ATOM 511 O LYS A 36 -12.539 1.981 -31.724 1.00 0.00 O ATOM 512 CB LYS A 36 -15.106 0.789 -31.731 1.00 0.00 C ATOM 513 CG LYS A 36 -16.509 0.296 -31.424 1.00 0.00 C ATOM 514 CD LYS A 36 -16.584 -0.355 -30.053 1.00 0.00 C ATOM 515 CE LYS A 36 -16.464 0.675 -28.940 1.00 0.00 C ATOM 516 NZ LYS A 36 -17.122 0.215 -27.685 1.00 0.00 N ATOM 0 HA LYS A 36 -15.519 2.575 -30.606 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.880 0.586 -32.778 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -14.392 0.221 -31.134 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.207 1.132 -31.470 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.819 -0.420 -32.185 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.528 -0.891 -29.954 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.787 -1.093 -29.955 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.411 0.878 -28.745 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.915 1.613 -29.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.728 0.973 -27.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.702 -0.625 -27.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.396 -0.025 -26.980 1.00 0.00 H new ATOM 530 N PHE A 37 -13.223 3.443 -30.155 1.00 0.00 N ATOM 531 CA PHE A 37 -11.871 3.795 -29.738 1.00 0.00 C ATOM 532 C PHE A 37 -11.377 2.853 -28.643 1.00 0.00 C ATOM 533 O PHE A 37 -11.810 2.938 -27.495 1.00 0.00 O ATOM 534 CB PHE A 37 -11.828 5.241 -29.240 1.00 0.00 C ATOM 535 CG PHE A 37 -12.593 6.197 -30.110 1.00 0.00 C ATOM 536 CD1 PHE A 37 -13.945 6.414 -29.902 1.00 0.00 C ATOM 537 CD2 PHE A 37 -11.958 6.879 -31.136 1.00 0.00 C ATOM 538 CE1 PHE A 37 -14.652 7.293 -30.700 1.00 0.00 C ATOM 539 CE2 PHE A 37 -12.659 7.760 -31.937 1.00 0.00 C ATOM 540 CZ PHE A 37 -14.008 7.967 -31.720 1.00 0.00 C ATOM 0 H PHE A 37 -13.962 3.929 -29.646 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.214 3.696 -30.602 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.231 5.281 -28.228 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.789 5.566 -29.182 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -14.453 5.890 -29.106 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.904 6.720 -31.311 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -15.706 7.453 -30.527 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.153 8.287 -32.732 1.00 0.00 H new ATOM 0 HZ PHE A 37 -14.558 8.654 -32.346 1.00 0.00 H new ATOM 550 N ALA A 38 -10.468 1.955 -29.009 1.00 0.00 N ATOM 551 CA ALA A 38 -9.914 0.999 -28.059 1.00 0.00 C ATOM 552 C ALA A 38 -8.827 1.641 -27.203 1.00 0.00 C ATOM 553 O ALA A 38 -8.164 2.587 -27.630 1.00 0.00 O ATOM 554 CB ALA A 38 -9.361 -0.214 -28.793 1.00 0.00 C ATOM 0 H ALA A 38 -10.100 1.870 -29.956 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.718 0.676 -27.397 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.950 -0.920 -28.071 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.161 -0.695 -29.356 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.575 0.103 -29.478 1.00 0.00 H new ATOM 560 N CYS A 39 -8.651 1.123 -25.992 1.00 0.00 N ATOM 561 CA CYS A 39 -7.646 1.647 -25.075 1.00 0.00 C ATOM 562 C CYS A 39 -6.242 1.254 -25.525 1.00 0.00 C ATOM 563 O CYS A 39 -6.013 0.129 -25.968 1.00 0.00 O ATOM 564 CB CYS A 39 -7.902 1.132 -23.657 1.00 0.00 C ATOM 565 SG CYS A 39 -6.797 1.844 -22.396 1.00 0.00 S ATOM 0 H CYS A 39 -9.191 0.341 -25.623 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.718 2.735 -25.078 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.935 1.349 -23.384 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.792 0.048 -23.650 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.758 1.060 -21.360 1.00 0.00 H new ATOM 570 N ASP A 40 -5.306 2.190 -25.407 1.00 0.00 N ATOM 571 CA ASP A 40 -3.924 1.943 -25.800 1.00 0.00 C ATOM 572 C ASP A 40 -3.135 1.322 -24.651 1.00 0.00 C ATOM 573 O ASP A 40 -1.907 1.250 -24.695 1.00 0.00 O ATOM 574 CB ASP A 40 -3.258 3.244 -26.248 1.00 0.00 C ATOM 575 CG ASP A 40 -2.102 3.006 -27.199 1.00 0.00 C ATOM 576 OD1 ASP A 40 -1.063 2.479 -26.749 1.00 0.00 O ATOM 577 OD2 ASP A 40 -2.236 3.346 -28.393 1.00 0.00 O ATOM 0 H ASP A 40 -5.480 3.127 -25.042 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.929 1.241 -26.634 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.999 3.879 -26.733 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.899 3.785 -25.373 1.00 0.00 H new ATOM 582 N TYR A 41 -3.849 0.876 -23.623 1.00 0.00 N ATOM 583 CA TYR A 41 -3.215 0.265 -22.460 1.00 0.00 C ATOM 584 C TYR A 41 -3.728 -1.155 -22.244 1.00 0.00 C ATOM 585 O TYR A 41 -3.005 -2.021 -21.751 1.00 0.00 O ATOM 586 CB TYR A 41 -3.474 1.109 -21.211 1.00 0.00 C ATOM 587 CG TYR A 41 -2.871 2.493 -21.279 1.00 0.00 C ATOM 588 CD1 TYR A 41 -3.269 3.399 -22.255 1.00 0.00 C ATOM 589 CD2 TYR A 41 -1.903 2.897 -20.367 1.00 0.00 C ATOM 590 CE1 TYR A 41 -2.720 4.665 -22.321 1.00 0.00 C ATOM 591 CE2 TYR A 41 -1.349 4.161 -20.425 1.00 0.00 C ATOM 592 CZ TYR A 41 -1.760 5.041 -21.404 1.00 0.00 C ATOM 593 OH TYR A 41 -1.212 6.302 -21.466 1.00 0.00 O ATOM 0 H TYR A 41 -4.866 0.926 -23.571 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.142 0.220 -22.644 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.550 1.198 -21.060 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.072 0.589 -20.342 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.020 3.108 -22.974 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.578 2.210 -19.599 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.040 5.357 -23.086 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.598 4.458 -19.708 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.553 6.408 -20.749 1.00 0.00 H new ATOM 603 N CYS A 42 -4.982 -1.387 -22.618 1.00 0.00 N ATOM 604 CA CYS A 42 -5.595 -2.702 -22.466 1.00 0.00 C ATOM 605 C CYS A 42 -6.570 -2.982 -23.606 1.00 0.00 C ATOM 606 O CYS A 42 -6.719 -2.174 -24.523 1.00 0.00 O ATOM 607 CB CYS A 42 -6.321 -2.797 -21.123 1.00 0.00 C ATOM 608 SG CYS A 42 -7.775 -1.707 -20.985 1.00 0.00 S ATOM 0 H CYS A 42 -5.594 -0.682 -23.029 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.803 -3.451 -22.497 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.637 -3.828 -20.965 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.620 -2.553 -20.325 1.00 0.00 H new ATOM 0 HG CYS A 42 -8.322 -1.859 -19.816 1.00 0.00 H new ATOM 613 N SER A 43 -7.233 -4.132 -23.541 1.00 0.00 N ATOM 614 CA SER A 43 -8.191 -4.521 -24.569 1.00 0.00 C ATOM 615 C SER A 43 -9.555 -3.890 -24.306 1.00 0.00 C ATOM 616 O SER A 43 -10.594 -4.504 -24.551 1.00 0.00 O ATOM 617 CB SER A 43 -8.324 -6.045 -24.622 1.00 0.00 C ATOM 618 OG SER A 43 -9.036 -6.535 -23.500 1.00 0.00 O ATOM 0 H SER A 43 -7.124 -4.811 -22.787 1.00 0.00 H new ATOM 0 HA SER A 43 -7.822 -4.162 -25.530 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.838 -6.336 -25.538 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.333 -6.499 -24.654 1.00 0.00 H new ATOM 0 HG SER A 43 -9.108 -7.511 -23.559 1.00 0.00 H new ATOM 624 N PHE A 44 -9.544 -2.659 -23.805 1.00 0.00 N ATOM 625 CA PHE A 44 -10.779 -1.944 -23.508 1.00 0.00 C ATOM 626 C PHE A 44 -11.281 -1.190 -24.736 1.00 0.00 C ATOM 627 O PHE A 44 -10.513 -0.887 -25.650 1.00 0.00 O ATOM 628 CB PHE A 44 -10.562 -0.967 -22.350 1.00 0.00 C ATOM 629 CG PHE A 44 -11.703 -0.011 -22.150 1.00 0.00 C ATOM 630 CD1 PHE A 44 -11.757 1.181 -22.854 1.00 0.00 C ATOM 631 CD2 PHE A 44 -12.721 -0.304 -21.257 1.00 0.00 C ATOM 632 CE1 PHE A 44 -12.806 2.063 -22.672 1.00 0.00 C ATOM 633 CE2 PHE A 44 -13.772 0.574 -21.071 1.00 0.00 C ATOM 634 CZ PHE A 44 -13.814 1.759 -21.779 1.00 0.00 C ATOM 0 H PHE A 44 -8.693 -2.136 -23.596 1.00 0.00 H new ATOM 0 HA PHE A 44 -11.533 -2.677 -23.220 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.408 -1.533 -21.432 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.650 -0.399 -22.531 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.971 1.424 -23.553 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.693 -1.229 -20.700 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -12.837 2.989 -23.228 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.560 0.334 -20.373 1.00 0.00 H new ATOM 0 HZ PHE A 44 -14.634 2.447 -21.634 1.00 0.00 H new ATOM 644 N THR A 45 -12.576 -0.891 -24.751 1.00 0.00 N ATOM 645 CA THR A 45 -13.182 -0.175 -25.867 1.00 0.00 C ATOM 646 C THR A 45 -14.398 0.623 -25.412 1.00 0.00 C ATOM 647 O THR A 45 -15.042 0.280 -24.420 1.00 0.00 O ATOM 648 CB THR A 45 -13.606 -1.140 -26.990 1.00 0.00 C ATOM 649 OG1 THR A 45 -14.313 -2.256 -26.437 1.00 0.00 O ATOM 650 CG2 THR A 45 -12.394 -1.635 -27.765 1.00 0.00 C ATOM 0 H THR A 45 -13.226 -1.134 -24.003 1.00 0.00 H new ATOM 0 HA THR A 45 -12.425 0.509 -26.252 1.00 0.00 H new ATOM 0 HB THR A 45 -14.260 -0.600 -27.675 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.580 -2.864 -27.158 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.719 -2.315 -28.553 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.875 -0.786 -28.210 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.719 -2.159 -27.089 1.00 0.00 H new ATOM 658 N CYS A 46 -14.708 1.688 -26.144 1.00 0.00 N ATOM 659 CA CYS A 46 -15.849 2.536 -25.815 1.00 0.00 C ATOM 660 C CYS A 46 -16.402 3.212 -27.065 1.00 0.00 C ATOM 661 O CYS A 46 -15.714 3.320 -28.081 1.00 0.00 O ATOM 662 CB CYS A 46 -15.445 3.592 -24.785 1.00 0.00 C ATOM 663 SG CYS A 46 -16.843 4.410 -23.980 1.00 0.00 S ATOM 0 H CYS A 46 -14.186 1.985 -26.968 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.630 1.905 -25.390 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -14.825 3.122 -24.022 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -14.830 4.346 -25.276 1.00 0.00 H new ATOM 0 HG CYS A 46 -17.046 5.569 -24.534 1.00 0.00 H new ATOM 669 N LEU A 47 -17.648 3.665 -26.984 1.00 0.00 N ATOM 670 CA LEU A 47 -18.295 4.330 -28.110 1.00 0.00 C ATOM 671 C LEU A 47 -18.267 5.845 -27.937 1.00 0.00 C ATOM 672 O LEU A 47 -19.167 6.549 -28.394 1.00 0.00 O ATOM 673 CB LEU A 47 -19.740 3.848 -28.250 1.00 0.00 C ATOM 674 CG LEU A 47 -20.297 3.802 -29.673 1.00 0.00 C ATOM 675 CD1 LEU A 47 -20.175 5.164 -30.339 1.00 0.00 C ATOM 676 CD2 LEU A 47 -19.579 2.740 -30.493 1.00 0.00 C ATOM 0 H LEU A 47 -18.231 3.584 -26.151 1.00 0.00 H new ATOM 0 HA LEU A 47 -17.744 4.076 -29.016 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -19.812 2.849 -27.821 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -20.378 4.498 -27.652 1.00 0.00 H new ATOM 0 HG LEU A 47 -21.354 3.539 -29.620 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.577 5.111 -31.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.735 5.902 -29.764 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.126 5.456 -30.380 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -19.989 2.722 -31.503 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -18.515 2.972 -30.537 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -19.719 1.765 -30.027 1.00 0.00 H new ATOM 688 N SER A 48 -17.226 6.341 -27.275 1.00 0.00 N ATOM 689 CA SER A 48 -17.081 7.773 -27.040 1.00 0.00 C ATOM 690 C SER A 48 -15.624 8.134 -26.770 1.00 0.00 C ATOM 691 O SER A 48 -15.075 7.807 -25.717 1.00 0.00 O ATOM 692 CB SER A 48 -17.954 8.209 -25.862 1.00 0.00 C ATOM 693 OG SER A 48 -17.881 9.610 -25.664 1.00 0.00 O ATOM 0 H SER A 48 -16.471 5.772 -26.892 1.00 0.00 H new ATOM 0 HA SER A 48 -17.407 8.299 -27.938 1.00 0.00 H new ATOM 0 HB2 SER A 48 -18.988 7.918 -26.045 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.633 7.693 -24.957 1.00 0.00 H new ATOM 0 HG SER A 48 -18.449 9.863 -24.907 1.00 0.00 H new ATOM 699 N LYS A 49 -15.001 8.811 -27.728 1.00 0.00 N ATOM 700 CA LYS A 49 -13.607 9.220 -27.596 1.00 0.00 C ATOM 701 C LYS A 49 -13.364 9.895 -26.250 1.00 0.00 C ATOM 702 O LYS A 49 -12.365 9.630 -25.583 1.00 0.00 O ATOM 703 CB LYS A 49 -13.222 10.169 -28.732 1.00 0.00 C ATOM 704 CG LYS A 49 -11.758 10.083 -29.127 1.00 0.00 C ATOM 705 CD LYS A 49 -11.545 10.500 -30.573 1.00 0.00 C ATOM 706 CE LYS A 49 -11.643 12.008 -30.739 1.00 0.00 C ATOM 707 NZ LYS A 49 -13.049 12.454 -30.947 1.00 0.00 N ATOM 0 H LYS A 49 -15.440 9.089 -28.606 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.985 8.326 -27.652 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.838 9.948 -29.603 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.449 11.192 -28.432 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.165 10.722 -28.472 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.401 9.063 -28.985 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.566 10.159 -30.911 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.288 10.014 -31.206 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.234 12.498 -29.855 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.034 12.320 -31.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.090 13.106 -31.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.651 11.628 -31.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.389 12.940 -30.093 1.00 0.00 H new ATOM 721 N GLY A 50 -14.286 10.769 -25.856 1.00 0.00 N ATOM 722 CA GLY A 50 -14.153 11.467 -24.591 1.00 0.00 C ATOM 723 C GLY A 50 -14.086 10.520 -23.410 1.00 0.00 C ATOM 724 O GLY A 50 -13.198 10.633 -22.563 1.00 0.00 O ATOM 0 H GLY A 50 -15.122 11.006 -26.390 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.253 12.081 -24.612 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.998 12.144 -24.463 1.00 0.00 H new ATOM 728 N HIS A 51 -15.026 9.583 -23.350 1.00 0.00 N ATOM 729 CA HIS A 51 -15.071 8.612 -22.262 1.00 0.00 C ATOM 730 C HIS A 51 -13.778 7.803 -22.203 1.00 0.00 C ATOM 731 O HIS A 51 -13.216 7.589 -21.128 1.00 0.00 O ATOM 732 CB HIS A 51 -16.265 7.673 -22.437 1.00 0.00 C ATOM 733 CG HIS A 51 -16.824 7.168 -21.142 1.00 0.00 C ATOM 734 ND1 HIS A 51 -17.607 6.037 -21.051 1.00 0.00 N ATOM 735 CD2 HIS A 51 -16.707 7.646 -19.881 1.00 0.00 C ATOM 736 CE1 HIS A 51 -17.950 5.842 -19.790 1.00 0.00 C ATOM 737 NE2 HIS A 51 -17.416 6.805 -19.059 1.00 0.00 N ATOM 0 H HIS A 51 -15.767 9.475 -24.042 1.00 0.00 H new ATOM 0 HA HIS A 51 -15.182 9.158 -21.325 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -17.050 8.195 -22.983 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -15.962 6.823 -23.049 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -17.879 5.443 -21.835 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -16.158 8.525 -19.578 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.563 5.033 -19.420 1.00 0.00 H new ATOM 745 N LEU A 52 -13.311 7.357 -23.364 1.00 0.00 N ATOM 746 CA LEU A 52 -12.085 6.571 -23.444 1.00 0.00 C ATOM 747 C LEU A 52 -10.984 7.191 -22.590 1.00 0.00 C ATOM 748 O LEU A 52 -10.294 6.495 -21.844 1.00 0.00 O ATOM 749 CB LEU A 52 -11.619 6.463 -24.897 1.00 0.00 C ATOM 750 CG LEU A 52 -10.175 6.008 -25.107 1.00 0.00 C ATOM 751 CD1 LEU A 52 -9.961 4.622 -24.518 1.00 0.00 C ATOM 752 CD2 LEU A 52 -9.821 6.021 -26.587 1.00 0.00 C ATOM 0 H LEU A 52 -13.763 7.526 -24.263 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.297 5.573 -23.062 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.277 5.768 -25.418 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.745 7.436 -25.371 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.516 6.706 -24.590 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.927 4.315 -24.677 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.173 4.644 -23.449 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.630 3.912 -25.005 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.789 5.694 -26.717 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.486 5.346 -27.126 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.934 7.032 -26.979 1.00 0.00 H new ATOM 764 N LYS A 53 -10.825 8.506 -22.702 1.00 0.00 N ATOM 765 CA LYS A 53 -9.811 9.223 -21.939 1.00 0.00 C ATOM 766 C LYS A 53 -9.947 8.933 -20.447 1.00 0.00 C ATOM 767 O LYS A 53 -8.974 8.576 -19.782 1.00 0.00 O ATOM 768 CB LYS A 53 -9.923 10.728 -22.189 1.00 0.00 C ATOM 769 CG LYS A 53 -9.103 11.568 -21.226 1.00 0.00 C ATOM 770 CD LYS A 53 -9.016 13.015 -21.682 1.00 0.00 C ATOM 771 CE LYS A 53 -7.922 13.207 -22.721 1.00 0.00 C ATOM 772 NZ LYS A 53 -8.005 14.543 -23.373 1.00 0.00 N ATOM 0 H LYS A 53 -11.387 9.097 -23.315 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.832 8.878 -22.271 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.603 10.943 -23.209 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.970 11.023 -22.115 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.550 11.525 -20.233 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.099 11.151 -21.142 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.974 13.324 -22.100 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.820 13.657 -20.823 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.947 13.094 -22.247 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.000 12.427 -23.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.243 14.635 -24.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.925 14.641 -23.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.905 15.287 -22.653 1.00 0.00 H new ATOM 786 N VAL A 54 -11.160 9.089 -19.927 1.00 0.00 N ATOM 787 CA VAL A 54 -11.425 8.842 -18.515 1.00 0.00 C ATOM 788 C VAL A 54 -10.954 7.452 -18.103 1.00 0.00 C ATOM 789 O VAL A 54 -10.301 7.286 -17.072 1.00 0.00 O ATOM 790 CB VAL A 54 -12.924 8.981 -18.191 1.00 0.00 C ATOM 791 CG1 VAL A 54 -13.186 8.665 -16.727 1.00 0.00 C ATOM 792 CG2 VAL A 54 -13.417 10.377 -18.541 1.00 0.00 C ATOM 0 H VAL A 54 -11.975 9.386 -20.463 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.869 9.593 -17.953 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.477 8.263 -18.797 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.251 8.769 -16.517 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.872 7.643 -16.513 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.624 9.356 -16.099 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -14.478 10.458 -18.306 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.860 11.115 -17.964 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -13.266 10.560 -19.605 1.00 0.00 H new ATOM 802 N HIS A 55 -11.288 6.454 -18.915 1.00 0.00 N ATOM 803 CA HIS A 55 -10.899 5.077 -18.636 1.00 0.00 C ATOM 804 C HIS A 55 -9.414 4.991 -18.293 1.00 0.00 C ATOM 805 O HIS A 55 -9.021 4.280 -17.368 1.00 0.00 O ATOM 806 CB HIS A 55 -11.209 4.183 -19.837 1.00 0.00 C ATOM 807 CG HIS A 55 -10.529 2.850 -19.783 1.00 0.00 C ATOM 808 ND1 HIS A 55 -11.052 1.764 -19.113 1.00 0.00 N ATOM 809 CD2 HIS A 55 -9.361 2.430 -20.323 1.00 0.00 C ATOM 810 CE1 HIS A 55 -10.234 0.735 -19.242 1.00 0.00 C ATOM 811 NE2 HIS A 55 -9.200 1.112 -19.972 1.00 0.00 N ATOM 0 H HIS A 55 -11.828 6.574 -19.772 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.474 4.730 -17.777 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.287 4.030 -19.897 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.909 4.698 -20.750 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.682 3.021 -20.919 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.385 -0.248 -18.822 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.411 0.521 -20.233 1.00 0.00 H new ATOM 819 N ILE A 56 -8.596 5.719 -19.045 1.00 0.00 N ATOM 820 CA ILE A 56 -7.155 5.725 -18.821 1.00 0.00 C ATOM 821 C ILE A 56 -6.785 6.632 -17.652 1.00 0.00 C ATOM 822 O ILE A 56 -5.760 6.433 -17.001 1.00 0.00 O ATOM 823 CB ILE A 56 -6.392 6.186 -20.076 1.00 0.00 C ATOM 824 CG1 ILE A 56 -6.605 5.195 -21.222 1.00 0.00 C ATOM 825 CG2 ILE A 56 -4.909 6.338 -19.768 1.00 0.00 C ATOM 826 CD1 ILE A 56 -6.388 5.800 -22.592 1.00 0.00 C ATOM 0 H ILE A 56 -8.906 6.312 -19.815 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.867 4.700 -18.588 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.781 7.157 -20.384 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.926 4.352 -21.094 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.619 4.799 -21.165 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.383 6.664 -20.665 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.775 7.078 -18.979 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.506 5.380 -19.439 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.556 5.041 -23.356 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.085 6.624 -22.740 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.366 6.171 -22.668 1.00 0.00 H new ATOM 838 N GLU A 57 -7.628 7.626 -17.391 1.00 0.00 N ATOM 839 CA GLU A 57 -7.389 8.563 -16.299 1.00 0.00 C ATOM 840 C GLU A 57 -7.855 7.978 -14.969 1.00 0.00 C ATOM 841 O GLU A 57 -7.592 8.540 -13.906 1.00 0.00 O ATOM 842 CB GLU A 57 -8.108 9.886 -16.567 1.00 0.00 C ATOM 843 CG GLU A 57 -7.585 10.628 -17.785 1.00 0.00 C ATOM 844 CD GLU A 57 -7.832 12.122 -17.709 1.00 0.00 C ATOM 845 OE1 GLU A 57 -8.988 12.543 -17.924 1.00 0.00 O ATOM 846 OE2 GLU A 57 -6.870 12.870 -17.436 1.00 0.00 O ATOM 0 H GLU A 57 -8.482 7.803 -17.920 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.316 8.747 -16.239 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.172 9.691 -16.700 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.009 10.527 -15.691 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.515 10.445 -17.885 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.062 10.230 -18.681 1.00 0.00 H new ATOM 853 N ARG A 58 -8.548 6.846 -15.037 1.00 0.00 N ATOM 854 CA ARG A 58 -9.052 6.186 -13.839 1.00 0.00 C ATOM 855 C ARG A 58 -8.471 4.781 -13.707 1.00 0.00 C ATOM 856 O ARG A 58 -8.246 4.292 -12.600 1.00 0.00 O ATOM 857 CB ARG A 58 -10.580 6.116 -13.874 1.00 0.00 C ATOM 858 CG ARG A 58 -11.118 4.942 -14.675 1.00 0.00 C ATOM 859 CD ARG A 58 -12.599 5.107 -14.979 1.00 0.00 C ATOM 860 NE ARG A 58 -13.440 4.503 -13.949 1.00 0.00 N ATOM 861 CZ ARG A 58 -13.757 3.213 -13.923 1.00 0.00 C ATOM 862 NH1 ARG A 58 -13.305 2.396 -14.865 1.00 0.00 N ATOM 863 NH2 ARG A 58 -14.528 2.738 -12.953 1.00 0.00 N ATOM 0 H ARG A 58 -8.773 6.367 -15.909 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.741 6.772 -12.974 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.956 6.051 -12.853 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.968 7.042 -14.298 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.562 4.851 -15.608 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.960 4.018 -14.119 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.836 6.168 -15.064 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.824 4.652 -15.944 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.804 5.104 -13.210 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.712 2.758 -15.612 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.550 1.406 -14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.878 3.363 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.771 1.748 -12.934 1.00 0.00 H new ATOM 877 N VAL A 59 -8.231 4.136 -14.845 1.00 0.00 N ATOM 878 CA VAL A 59 -7.676 2.788 -14.857 1.00 0.00 C ATOM 879 C VAL A 59 -6.153 2.821 -14.924 1.00 0.00 C ATOM 880 O VAL A 59 -5.470 2.411 -13.985 1.00 0.00 O ATOM 881 CB VAL A 59 -8.213 1.971 -16.047 1.00 0.00 C ATOM 882 CG1 VAL A 59 -7.653 0.557 -16.020 1.00 0.00 C ATOM 883 CG2 VAL A 59 -9.734 1.951 -16.035 1.00 0.00 C ATOM 0 H VAL A 59 -8.412 4.526 -15.770 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.986 2.310 -13.928 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.885 2.448 -16.971 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.043 -0.005 -16.868 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.565 0.595 -16.080 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.948 0.066 -15.093 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.097 1.370 -16.883 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.085 1.498 -15.108 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.112 2.971 -16.106 1.00 0.00 H new ATOM 893 N HIS A 60 -5.626 3.314 -16.040 1.00 0.00 N ATOM 894 CA HIS A 60 -4.182 3.402 -16.230 1.00 0.00 C ATOM 895 C HIS A 60 -3.672 4.797 -15.879 1.00 0.00 C ATOM 896 O HIS A 60 -2.854 5.370 -16.599 1.00 0.00 O ATOM 897 CB HIS A 60 -3.814 3.060 -17.674 1.00 0.00 C ATOM 898 CG HIS A 60 -4.575 1.894 -18.226 1.00 0.00 C ATOM 899 ND1 HIS A 60 -4.187 0.584 -18.034 1.00 0.00 N ATOM 900 CD2 HIS A 60 -5.707 1.845 -18.965 1.00 0.00 C ATOM 901 CE1 HIS A 60 -5.048 -0.219 -18.634 1.00 0.00 C ATOM 902 NE2 HIS A 60 -5.980 0.521 -19.206 1.00 0.00 N ATOM 0 H HIS A 60 -6.177 3.659 -16.826 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.708 2.682 -15.563 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.995 3.932 -18.303 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.747 2.845 -17.727 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.365 0.283 -17.511 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.288 2.690 -19.303 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.998 -1.298 -18.653 1.00 0.00 H new ATOM 910 N LYS A 61 -4.162 5.339 -14.769 1.00 0.00 N ATOM 911 CA LYS A 61 -3.757 6.666 -14.322 1.00 0.00 C ATOM 912 C LYS A 61 -2.557 6.581 -13.384 1.00 0.00 C ATOM 913 O LYS A 61 -2.573 5.834 -12.405 1.00 0.00 O ATOM 914 CB LYS A 61 -4.920 7.366 -13.617 1.00 0.00 C ATOM 915 CG LYS A 61 -4.490 8.538 -12.751 1.00 0.00 C ATOM 916 CD LYS A 61 -4.191 8.099 -11.328 1.00 0.00 C ATOM 917 CE LYS A 61 -4.531 9.191 -10.325 1.00 0.00 C ATOM 918 NZ LYS A 61 -3.652 9.134 -9.124 1.00 0.00 N ATOM 0 H LYS A 61 -4.841 4.879 -14.162 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.470 7.246 -15.199 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.628 7.719 -14.366 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.447 6.641 -12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.605 9.005 -13.182 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.276 9.293 -12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.762 7.200 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.136 7.839 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.431 10.166 -10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.572 9.091 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.915 9.894 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.766 8.213 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.660 9.255 -9.413 1.00 0.00 H new ATOM 995 N GLN A 65 5.633 3.792 -15.947 1.00 0.00 N ATOM 996 CA GLN A 65 6.207 3.489 -17.253 1.00 0.00 C ATOM 997 C GLN A 65 7.428 2.585 -17.115 1.00 0.00 C ATOM 998 O GLN A 65 8.286 2.810 -16.260 1.00 0.00 O ATOM 999 CB GLN A 65 6.593 4.780 -17.976 1.00 0.00 C ATOM 1000 CG GLN A 65 6.420 4.708 -19.484 1.00 0.00 C ATOM 1001 CD GLN A 65 4.998 4.996 -19.923 1.00 0.00 C ATOM 1002 OE1 GLN A 65 4.047 4.396 -19.421 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.844 5.918 -20.866 1.00 0.00 N ATOM 0 HA GLN A 65 5.453 2.964 -17.840 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.987 5.599 -17.588 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.632 5.017 -17.749 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.094 5.422 -19.958 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.710 3.717 -19.832 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.660 6.391 -21.255 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.910 6.153 -21.202 1.00 0.00 H new ATOM 1012 N HIS A 66 7.500 1.562 -17.960 1.00 0.00 N ATOM 1013 CA HIS A 66 8.616 0.624 -17.932 1.00 0.00 C ATOM 1014 C HIS A 66 9.576 0.888 -19.089 1.00 0.00 C ATOM 1015 O HIS A 66 9.159 1.002 -20.242 1.00 0.00 O ATOM 1016 CB HIS A 66 8.103 -0.815 -17.998 1.00 0.00 C ATOM 1017 CG HIS A 66 7.316 -1.114 -19.237 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.008 -0.715 -19.412 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.661 -1.776 -20.366 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.581 -1.121 -20.595 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.565 -1.767 -21.194 1.00 0.00 N ATOM 0 H HIS A 66 6.799 1.361 -18.673 1.00 0.00 H new ATOM 0 HA HIS A 66 9.155 0.767 -16.995 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.951 -1.497 -17.943 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.480 -1.010 -17.125 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.619 -2.227 -20.577 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.595 -0.953 -21.003 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.519 -2.190 -22.121 1.00 0.00 H new ATOM 1029 N CYS A 67 10.863 0.984 -18.773 1.00 0.00 N ATOM 1030 CA CYS A 67 11.882 1.235 -19.785 1.00 0.00 C ATOM 1031 C CYS A 67 12.116 -0.005 -20.642 1.00 0.00 C ATOM 1032 O CYS A 67 12.514 -1.055 -20.137 1.00 0.00 O ATOM 1033 CB CYS A 67 13.193 1.665 -19.122 1.00 0.00 C ATOM 1034 SG CYS A 67 14.274 2.666 -20.193 1.00 0.00 S ATOM 0 H CYS A 67 11.225 0.892 -17.824 1.00 0.00 H new ATOM 0 HA CYS A 67 11.527 2.039 -20.430 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.963 2.235 -18.222 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.737 0.775 -18.805 1.00 0.00 H new ATOM 0 HG CYS A 67 13.650 3.750 -20.548 1.00 0.00 H new ATOM 1039 N ARG A 68 11.865 0.124 -21.940 1.00 0.00 N ATOM 1040 CA ARG A 68 12.046 -0.987 -22.868 1.00 0.00 C ATOM 1041 C ARG A 68 13.529 -1.255 -23.111 1.00 0.00 C ATOM 1042 O ARG A 68 13.891 -2.102 -23.928 1.00 0.00 O ATOM 1043 CB ARG A 68 11.346 -0.690 -24.195 1.00 0.00 C ATOM 1044 CG ARG A 68 12.181 0.146 -25.151 1.00 0.00 C ATOM 1045 CD ARG A 68 12.263 1.595 -24.697 1.00 0.00 C ATOM 1046 NE ARG A 68 10.958 2.251 -24.720 1.00 0.00 N ATOM 1047 CZ ARG A 68 10.635 3.273 -23.935 1.00 0.00 C ATOM 1048 NH1 ARG A 68 11.518 3.755 -23.071 1.00 0.00 N ATOM 1049 NH2 ARG A 68 9.427 3.816 -24.015 1.00 0.00 N ATOM 0 H ARG A 68 11.536 0.986 -22.374 1.00 0.00 H new ATOM 0 HA ARG A 68 11.601 -1.877 -22.422 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.089 -1.632 -24.679 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.410 -0.169 -23.994 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.185 -0.272 -25.220 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.747 0.100 -26.150 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.671 1.636 -23.687 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.953 2.138 -25.342 1.00 0.00 H new ATOM 0 HE ARG A 68 10.256 1.905 -25.375 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.448 3.341 -23.008 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.267 4.540 -22.470 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.746 3.449 -24.679 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.180 4.601 -23.412 1.00 0.00 H new ATOM 1063 N PHE A 69 14.381 -0.527 -22.398 1.00 0.00 N ATOM 1064 CA PHE A 69 15.824 -0.685 -22.537 1.00 0.00 C ATOM 1065 C PHE A 69 16.405 -1.452 -21.353 1.00 0.00 C ATOM 1066 O PHE A 69 17.200 -2.375 -21.526 1.00 0.00 O ATOM 1067 CB PHE A 69 16.499 0.684 -22.654 1.00 0.00 C ATOM 1068 CG PHE A 69 16.251 1.365 -23.969 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.858 0.907 -25.127 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.409 2.463 -24.047 1.00 0.00 C ATOM 1071 CE1 PHE A 69 16.631 1.533 -26.338 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.178 3.092 -25.256 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.790 2.626 -26.403 1.00 0.00 C ATOM 0 H PHE A 69 14.098 0.178 -21.718 1.00 0.00 H new ATOM 0 HA PHE A 69 16.016 -1.256 -23.445 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.142 1.326 -21.849 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.573 0.564 -22.513 1.00 0.00 H new ATOM 0 HD1 PHE A 69 17.516 0.052 -25.083 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.928 2.831 -23.153 1.00 0.00 H new ATOM 0 HE1 PHE A 69 17.111 1.167 -27.233 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.520 3.947 -25.304 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.611 3.116 -27.349 1.00 0.00 H new ATOM 1083 N CYS A 70 16.001 -1.062 -20.148 1.00 0.00 N ATOM 1084 CA CYS A 70 16.480 -1.710 -18.934 1.00 0.00 C ATOM 1085 C CYS A 70 15.313 -2.129 -18.044 1.00 0.00 C ATOM 1086 O CYS A 70 15.434 -2.169 -16.819 1.00 0.00 O ATOM 1087 CB CYS A 70 17.412 -0.772 -18.163 1.00 0.00 C ATOM 1088 SG CYS A 70 16.640 0.803 -17.671 1.00 0.00 S ATOM 0 H CYS A 70 15.343 -0.300 -19.987 1.00 0.00 H new ATOM 0 HA CYS A 70 17.033 -2.604 -19.223 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.768 -1.285 -17.269 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.286 -0.559 -18.778 1.00 0.00 H new ATOM 0 HG CYS A 70 15.869 1.226 -18.629 1.00 0.00 H new ATOM 1093 N LYS A 71 14.183 -2.441 -18.669 1.00 0.00 N ATOM 1094 CA LYS A 71 12.994 -2.859 -17.936 1.00 0.00 C ATOM 1095 C LYS A 71 12.923 -2.172 -16.576 1.00 0.00 C ATOM 1096 O LYS A 71 12.690 -2.818 -15.554 1.00 0.00 O ATOM 1097 CB LYS A 71 12.990 -4.379 -17.753 1.00 0.00 C ATOM 1098 CG LYS A 71 12.673 -5.144 -19.026 1.00 0.00 C ATOM 1099 CD LYS A 71 11.192 -5.472 -19.125 1.00 0.00 C ATOM 1100 CE LYS A 71 10.442 -4.423 -19.932 1.00 0.00 C ATOM 1101 NZ LYS A 71 10.658 -4.590 -21.396 1.00 0.00 N ATOM 0 H LYS A 71 14.066 -2.412 -19.682 1.00 0.00 H new ATOM 0 HA LYS A 71 12.119 -2.567 -18.517 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.965 -4.695 -17.383 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.259 -4.643 -16.989 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.975 -4.553 -19.891 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.253 -6.066 -19.052 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.065 -6.450 -19.590 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.765 -5.537 -18.124 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.376 -4.489 -19.712 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.769 -3.429 -19.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.130 -3.856 -21.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.672 -4.501 -21.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.323 -5.529 -21.691 1.00 0.00 H new ATOM 1115 N LYS A 72 13.124 -0.859 -16.570 1.00 0.00 N ATOM 1116 CA LYS A 72 13.080 -0.083 -15.337 1.00 0.00 C ATOM 1117 C LYS A 72 11.754 0.659 -15.207 1.00 0.00 C ATOM 1118 O LYS A 72 11.340 1.376 -16.118 1.00 0.00 O ATOM 1119 CB LYS A 72 14.241 0.914 -15.296 1.00 0.00 C ATOM 1120 CG LYS A 72 14.460 1.536 -13.928 1.00 0.00 C ATOM 1121 CD LYS A 72 15.823 2.200 -13.829 1.00 0.00 C ATOM 1122 CE LYS A 72 16.361 2.159 -12.407 1.00 0.00 C ATOM 1123 NZ LYS A 72 15.821 3.271 -11.577 1.00 0.00 N ATOM 0 H LYS A 72 13.319 -0.309 -17.407 1.00 0.00 H new ATOM 0 HA LYS A 72 13.172 -0.774 -14.499 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.155 0.408 -15.606 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.054 1.707 -16.021 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.680 2.273 -13.733 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.372 0.768 -13.160 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.522 1.699 -14.498 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.750 3.235 -14.162 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.102 1.205 -11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.449 2.217 -12.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.212 3.208 -10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.089 4.182 -12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.784 3.201 -11.535 1.00 0.00 H new ATOM 1137 N LYS A 73 11.091 0.482 -14.069 1.00 0.00 N ATOM 1138 CA LYS A 73 9.813 1.137 -13.818 1.00 0.00 C ATOM 1139 C LYS A 73 10.020 2.574 -13.351 1.00 0.00 C ATOM 1140 O LYS A 73 10.908 2.853 -12.545 1.00 0.00 O ATOM 1141 CB LYS A 73 9.015 0.358 -12.769 1.00 0.00 C ATOM 1142 CG LYS A 73 8.258 -0.828 -13.339 1.00 0.00 C ATOM 1143 CD LYS A 73 7.891 -1.828 -12.255 1.00 0.00 C ATOM 1144 CE LYS A 73 6.767 -1.307 -11.373 1.00 0.00 C ATOM 1145 NZ LYS A 73 5.430 -1.521 -11.994 1.00 0.00 N ATOM 0 H LYS A 73 11.418 -0.110 -13.306 1.00 0.00 H new ATOM 0 HA LYS A 73 9.253 1.155 -14.753 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.696 0.005 -11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.307 1.033 -12.288 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.352 -0.479 -13.835 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.867 -1.319 -14.098 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.588 -2.769 -12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.767 -2.040 -11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.803 -1.808 -10.406 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.915 -0.243 -11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.691 -1.152 -11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.387 -1.022 -12.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.278 -2.538 -12.149 1.00 0.00 H new ATOM 1159 N TYR A 74 9.194 3.481 -13.860 1.00 0.00 N ATOM 1160 CA TYR A 74 9.287 4.890 -13.495 1.00 0.00 C ATOM 1161 C TYR A 74 7.910 5.462 -13.172 1.00 0.00 C ATOM 1162 O TYR A 74 7.045 5.558 -14.042 1.00 0.00 O ATOM 1163 CB TYR A 74 9.931 5.690 -14.628 1.00 0.00 C ATOM 1164 CG TYR A 74 11.442 5.658 -14.610 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.137 4.532 -15.036 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.176 6.751 -14.167 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.518 4.497 -15.021 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.557 6.726 -14.150 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.223 5.597 -14.578 1.00 0.00 C ATOM 1170 OH TYR A 74 15.599 5.567 -14.561 1.00 0.00 O ATOM 0 H TYR A 74 8.452 3.266 -14.527 1.00 0.00 H new ATOM 0 HA TYR A 74 9.910 4.968 -12.604 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.579 5.299 -15.583 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.597 6.726 -14.565 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.588 3.670 -15.385 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.658 7.636 -13.830 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.043 3.614 -15.354 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.112 7.585 -13.804 1.00 0.00 H new ATOM 0 HH TYR A 74 15.948 6.461 -14.760 1.00 0.00 H new ATOM 1180 N SER A 75 7.714 5.840 -11.913 1.00 0.00 N ATOM 1181 CA SER A 75 6.442 6.400 -11.472 1.00 0.00 C ATOM 1182 C SER A 75 5.840 7.295 -12.550 1.00 0.00 C ATOM 1183 O SER A 75 4.662 7.172 -12.888 1.00 0.00 O ATOM 1184 CB SER A 75 6.631 7.196 -10.179 1.00 0.00 C ATOM 1185 OG SER A 75 6.525 6.356 -9.043 1.00 0.00 O ATOM 0 H SER A 75 8.420 5.769 -11.180 1.00 0.00 H new ATOM 0 HA SER A 75 5.756 5.574 -11.284 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.607 7.681 -10.186 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.882 7.986 -10.122 1.00 0.00 H new ATOM 0 HG SER A 75 6.651 6.888 -8.230 1.00 0.00 H new ATOM 1191 N ASP A 76 6.656 8.196 -13.086 1.00 0.00 N ATOM 1192 CA ASP A 76 6.205 9.112 -14.127 1.00 0.00 C ATOM 1193 C ASP A 76 6.980 8.887 -15.422 1.00 0.00 C ATOM 1194 O ASP A 76 8.138 8.471 -15.400 1.00 0.00 O ATOM 1195 CB ASP A 76 6.369 10.562 -13.666 1.00 0.00 C ATOM 1196 CG ASP A 76 5.173 11.056 -12.876 1.00 0.00 C ATOM 1197 OD1 ASP A 76 4.220 11.568 -13.500 1.00 0.00 O ATOM 1198 OD2 ASP A 76 5.190 10.931 -11.634 1.00 0.00 O ATOM 0 H ASP A 76 7.633 8.312 -12.817 1.00 0.00 H new ATOM 0 HA ASP A 76 5.150 8.916 -14.317 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.266 10.646 -13.053 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.516 11.202 -14.536 1.00 0.00 H new ATOM 1203 N VAL A 77 6.332 9.164 -16.549 1.00 0.00 N ATOM 1204 CA VAL A 77 6.959 8.991 -17.854 1.00 0.00 C ATOM 1205 C VAL A 77 7.959 10.107 -18.135 1.00 0.00 C ATOM 1206 O VAL A 77 9.049 9.864 -18.654 1.00 0.00 O ATOM 1207 CB VAL A 77 5.910 8.961 -18.981 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.113 10.256 -19.004 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.580 8.715 -20.325 1.00 0.00 C ATOM 0 H VAL A 77 5.373 9.509 -16.585 1.00 0.00 H new ATOM 0 HA VAL A 77 7.483 8.035 -17.830 1.00 0.00 H new ATOM 0 HB VAL A 77 5.219 8.140 -18.788 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.377 10.216 -19.807 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.602 10.386 -18.050 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.788 11.096 -19.172 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.824 8.697 -21.110 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.294 9.513 -20.527 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.102 7.758 -20.302 1.00 0.00 H new ATOM 1219 N LYS A 78 7.582 11.333 -17.787 1.00 0.00 N ATOM 1220 CA LYS A 78 8.445 12.489 -18.000 1.00 0.00 C ATOM 1221 C LYS A 78 9.893 12.157 -17.653 1.00 0.00 C ATOM 1222 O LYS A 78 10.778 12.231 -18.505 1.00 0.00 O ATOM 1223 CB LYS A 78 7.966 13.672 -17.155 1.00 0.00 C ATOM 1224 CG LYS A 78 6.875 14.492 -17.822 1.00 0.00 C ATOM 1225 CD LYS A 78 7.456 15.628 -18.646 1.00 0.00 C ATOM 1226 CE LYS A 78 7.882 15.154 -20.027 1.00 0.00 C ATOM 1227 NZ LYS A 78 7.879 16.264 -21.020 1.00 0.00 N ATOM 0 H LYS A 78 6.684 11.552 -17.356 1.00 0.00 H new ATOM 0 HA LYS A 78 8.394 12.760 -19.055 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.597 13.300 -16.200 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.815 14.320 -16.938 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.274 13.847 -18.463 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.207 14.897 -17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.716 16.422 -18.745 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.314 16.054 -18.126 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.880 14.720 -19.970 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.210 14.364 -20.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.175 15.900 -21.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.921 16.662 -21.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.539 17.007 -20.713 1.00 0.00 H new ATOM 1241 N ASN A 79 10.127 11.790 -16.397 1.00 0.00 N ATOM 1242 CA ASN A 79 11.468 11.446 -15.938 1.00 0.00 C ATOM 1243 C ASN A 79 12.085 10.367 -16.823 1.00 0.00 C ATOM 1244 O ASN A 79 13.212 10.508 -17.299 1.00 0.00 O ATOM 1245 CB ASN A 79 11.426 10.968 -14.486 1.00 0.00 C ATOM 1246 CG ASN A 79 10.653 11.915 -13.588 1.00 0.00 C ATOM 1247 OD1 ASN A 79 10.738 13.135 -13.734 1.00 0.00 O ATOM 1248 ND2 ASN A 79 9.895 11.357 -12.652 1.00 0.00 N ATOM 0 H ASN A 79 9.406 11.723 -15.679 1.00 0.00 H new ATOM 0 HA ASN A 79 12.087 12.341 -16.001 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.970 9.979 -14.445 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.444 10.865 -14.110 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.353 11.944 -12.018 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.854 10.341 -12.567 1.00 0.00 H new ATOM 1255 N LEU A 80 11.339 9.289 -17.038 1.00 0.00 N ATOM 1256 CA LEU A 80 11.812 8.184 -17.866 1.00 0.00 C ATOM 1257 C LEU A 80 12.456 8.702 -19.148 1.00 0.00 C ATOM 1258 O LEU A 80 13.533 8.250 -19.539 1.00 0.00 O ATOM 1259 CB LEU A 80 10.654 7.245 -18.207 1.00 0.00 C ATOM 1260 CG LEU A 80 11.005 6.034 -19.073 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.940 5.096 -18.327 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.742 5.301 -19.501 1.00 0.00 C ATOM 0 H LEU A 80 10.405 9.156 -16.651 1.00 0.00 H new ATOM 0 HA LEU A 80 12.564 7.634 -17.300 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.217 6.886 -17.275 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.884 7.822 -18.719 1.00 0.00 H new ATOM 0 HG LEU A 80 11.517 6.388 -19.968 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.178 4.241 -18.959 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.858 5.625 -18.071 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.455 4.749 -17.415 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.011 4.442 -20.116 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.202 4.960 -18.618 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.107 5.975 -20.076 1.00 0.00 H new ATOM 1274 N ILE A 81 11.791 9.652 -19.796 1.00 0.00 N ATOM 1275 CA ILE A 81 12.301 10.233 -21.032 1.00 0.00 C ATOM 1276 C ILE A 81 13.776 10.597 -20.901 1.00 0.00 C ATOM 1277 O ILE A 81 14.616 10.118 -21.664 1.00 0.00 O ATOM 1278 CB ILE A 81 11.508 11.491 -21.432 1.00 0.00 C ATOM 1279 CG1 ILE A 81 10.023 11.156 -21.590 1.00 0.00 C ATOM 1280 CG2 ILE A 81 12.063 12.081 -22.720 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.749 10.114 -22.653 1.00 0.00 C ATOM 0 H ILE A 81 10.898 10.036 -19.486 1.00 0.00 H new ATOM 0 HA ILE A 81 12.183 9.477 -21.808 1.00 0.00 H new ATOM 0 HB ILE A 81 11.612 12.234 -20.641 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.635 10.800 -20.635 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.477 12.067 -21.836 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.492 12.969 -22.989 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.109 12.352 -22.575 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.987 11.345 -23.520 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.677 9.926 -22.710 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.106 10.475 -23.617 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.266 9.189 -22.398 1.00 0.00 H new ATOM 1293 N LYS A 82 14.086 11.447 -19.928 1.00 0.00 N ATOM 1294 CA LYS A 82 15.461 11.873 -19.693 1.00 0.00 C ATOM 1295 C LYS A 82 16.358 10.677 -19.390 1.00 0.00 C ATOM 1296 O LYS A 82 17.427 10.525 -19.982 1.00 0.00 O ATOM 1297 CB LYS A 82 15.516 12.871 -18.534 1.00 0.00 C ATOM 1298 CG LYS A 82 16.922 13.334 -18.196 1.00 0.00 C ATOM 1299 CD LYS A 82 17.039 13.744 -16.738 1.00 0.00 C ATOM 1300 CE LYS A 82 17.376 12.556 -15.850 1.00 0.00 C ATOM 1301 NZ LYS A 82 16.985 12.794 -14.433 1.00 0.00 N ATOM 0 H LYS A 82 13.403 11.855 -19.289 1.00 0.00 H new ATOM 0 HA LYS A 82 15.825 12.357 -20.600 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.907 13.740 -18.784 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.071 12.414 -17.650 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.630 12.533 -18.408 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.192 14.175 -18.834 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.810 14.507 -16.634 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.101 14.191 -16.408 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.866 11.668 -16.223 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.446 12.355 -15.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.231 11.961 -13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.490 13.627 -14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.960 12.960 -14.379 1.00 0.00 H new ATOM 1315 N HIS A 83 15.915 9.830 -18.467 1.00 0.00 N ATOM 1316 CA HIS A 83 16.678 8.646 -18.087 1.00 0.00 C ATOM 1317 C HIS A 83 17.245 7.948 -19.319 1.00 0.00 C ATOM 1318 O HIS A 83 18.362 7.430 -19.291 1.00 0.00 O ATOM 1319 CB HIS A 83 15.796 7.677 -17.299 1.00 0.00 C ATOM 1320 CG HIS A 83 16.230 6.247 -17.408 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.281 5.723 -16.686 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.748 5.231 -18.161 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.428 4.446 -16.990 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.510 4.122 -17.883 1.00 0.00 N ATOM 0 H HIS A 83 15.032 9.941 -17.968 1.00 0.00 H new ATOM 0 HA HIS A 83 17.508 8.965 -17.457 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.797 7.969 -16.249 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.769 7.764 -17.653 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.919 5.282 -18.851 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.172 3.780 -16.579 1.00 0.00 H new ATOM 0 HE2 HIS A 83 16.387 3.199 -18.299 1.00 0.00 H new ATOM 1332 N ILE A 84 16.470 7.937 -20.398 1.00 0.00 N ATOM 1333 CA ILE A 84 16.896 7.304 -21.639 1.00 0.00 C ATOM 1334 C ILE A 84 17.983 8.121 -22.329 1.00 0.00 C ATOM 1335 O ILE A 84 18.954 7.570 -22.847 1.00 0.00 O ATOM 1336 CB ILE A 84 15.715 7.117 -22.611 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.859 5.923 -22.183 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.224 6.929 -24.032 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.448 5.966 -22.726 1.00 0.00 C ATOM 0 H ILE A 84 15.543 8.360 -20.437 1.00 0.00 H new ATOM 0 HA ILE A 84 17.295 6.325 -21.372 1.00 0.00 H new ATOM 0 HB ILE A 84 15.095 8.013 -22.584 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.340 5.003 -22.516 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.820 5.886 -21.094 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.378 6.798 -24.707 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.796 7.807 -24.333 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.863 6.047 -24.076 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.899 5.089 -22.383 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.949 6.868 -22.372 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.477 5.972 -23.816 1.00 0.00 H new ATOM 1351 N ARG A 85 17.813 9.439 -22.330 1.00 0.00 N ATOM 1352 CA ARG A 85 18.780 10.333 -22.956 1.00 0.00 C ATOM 1353 C ARG A 85 20.062 10.410 -22.132 1.00 0.00 C ATOM 1354 O ARG A 85 21.081 10.920 -22.598 1.00 0.00 O ATOM 1355 CB ARG A 85 18.181 11.732 -23.119 1.00 0.00 C ATOM 1356 CG ARG A 85 16.730 11.725 -23.571 1.00 0.00 C ATOM 1357 CD ARG A 85 16.615 11.909 -25.076 1.00 0.00 C ATOM 1358 NE ARG A 85 17.012 13.250 -25.496 1.00 0.00 N ATOM 1359 CZ ARG A 85 17.222 13.592 -26.762 1.00 0.00 C ATOM 1360 NH1 ARG A 85 17.075 12.695 -27.728 1.00 0.00 N ATOM 1361 NH2 ARG A 85 17.581 14.833 -27.065 1.00 0.00 N ATOM 0 H ARG A 85 17.015 9.911 -21.905 1.00 0.00 H new ATOM 0 HA ARG A 85 19.024 9.932 -23.940 1.00 0.00 H new ATOM 0 HB2 ARG A 85 18.254 12.262 -22.169 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.775 12.290 -23.842 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.262 10.784 -23.281 1.00 0.00 H new ATOM 0 HG3 ARG A 85 16.186 12.521 -23.063 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.240 11.172 -25.580 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.587 11.721 -25.386 1.00 0.00 H new ATOM 0 HE ARG A 85 17.135 13.963 -24.777 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.800 11.740 -27.499 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.237 12.960 -28.699 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.696 15.526 -26.325 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.742 15.094 -28.038 1.00 0.00 H new ATOM 1375 N ASP A 86 20.003 9.900 -20.907 1.00 0.00 N ATOM 1376 CA ASP A 86 21.159 9.910 -20.018 1.00 0.00 C ATOM 1377 C ASP A 86 21.880 8.566 -20.050 1.00 0.00 C ATOM 1378 O ASP A 86 23.106 8.510 -20.137 1.00 0.00 O ATOM 1379 CB ASP A 86 20.727 10.238 -18.588 1.00 0.00 C ATOM 1380 CG ASP A 86 20.615 11.730 -18.344 1.00 0.00 C ATOM 1381 OD1 ASP A 86 20.255 12.461 -19.291 1.00 0.00 O ATOM 1382 OD2 ASP A 86 20.888 12.167 -17.207 1.00 0.00 O ATOM 0 H ASP A 86 19.167 9.474 -20.507 1.00 0.00 H new ATOM 0 HA ASP A 86 21.848 10.680 -20.366 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.765 9.767 -18.385 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.445 9.811 -17.888 1.00 0.00 H new ATOM 1387 N ALA A 87 21.110 7.485 -19.977 1.00 0.00 N ATOM 1388 CA ALA A 87 21.674 6.142 -19.998 1.00 0.00 C ATOM 1389 C ALA A 87 21.604 5.539 -21.397 1.00 0.00 C ATOM 1390 O ALA A 87 22.613 5.093 -21.943 1.00 0.00 O ATOM 1391 CB ALA A 87 20.952 5.250 -18.999 1.00 0.00 C ATOM 0 H ALA A 87 20.093 7.514 -19.903 1.00 0.00 H new ATOM 0 HA ALA A 87 22.724 6.211 -19.713 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.384 4.250 -19.026 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.059 5.665 -17.997 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.895 5.195 -19.258 1.00 0.00 H new ATOM 1397 N HIS A 88 20.405 5.527 -21.971 1.00 0.00 N ATOM 1398 CA HIS A 88 20.203 4.977 -23.307 1.00 0.00 C ATOM 1399 C HIS A 88 20.254 6.079 -24.361 1.00 0.00 C ATOM 1400 O HIS A 88 19.353 6.199 -25.192 1.00 0.00 O ATOM 1401 CB HIS A 88 18.863 4.244 -23.383 1.00 0.00 C ATOM 1402 CG HIS A 88 18.631 3.301 -22.243 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.433 2.207 -21.996 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.681 3.295 -21.278 1.00 0.00 C ATOM 1405 CE1 HIS A 88 18.985 1.567 -20.931 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.923 2.207 -20.476 1.00 0.00 N ATOM 0 H HIS A 88 19.559 5.891 -21.532 1.00 0.00 H new ATOM 0 HA HIS A 88 21.007 4.269 -23.507 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.057 4.978 -23.406 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.815 3.688 -24.319 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.882 4.012 -21.161 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.414 0.672 -20.505 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.372 1.937 -19.661 1.00 0.00 H new ATOM 1414 N ASP A 89 21.311 6.882 -24.320 1.00 0.00 N ATOM 1415 CA ASP A 89 21.480 7.974 -25.272 1.00 0.00 C ATOM 1416 C ASP A 89 21.933 7.447 -26.630 1.00 0.00 C ATOM 1417 O ASP A 89 22.947 6.759 -26.749 1.00 0.00 O ATOM 1418 CB ASP A 89 22.493 8.990 -24.741 1.00 0.00 C ATOM 1419 CG ASP A 89 23.309 9.627 -25.849 1.00 0.00 C ATOM 1420 OD1 ASP A 89 22.733 9.914 -26.919 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.523 9.837 -25.646 1.00 0.00 O ATOM 0 H ASP A 89 22.064 6.798 -23.637 1.00 0.00 H new ATOM 0 HA ASP A 89 20.515 8.466 -25.397 1.00 0.00 H new ATOM 0 HB2 ASP A 89 21.967 9.768 -24.188 1.00 0.00 H new ATOM 0 HB3 ASP A 89 23.164 8.497 -24.038 1.00 0.00 H new