USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 ALA N :NH3+ -151:sc= 1.26 (180deg=0.15) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.212 K(o=1,f=-5!) USER MOD Set 2.1: A 20 CYS SG : rot -106:sc= 0.899 USER MOD Set 2.2: A 24 CYS SG : rot -69:sc= 0.516 USER MOD Set 3.1: A 13 CYS SG : rot 180:sc= 0.0204 USER MOD Set 3.2: A 15 SER OG : rot 93:sc= 0.02 USER MOD Set 4.1: A 8 CYS SG : rot 1:sc= 0.123 USER MOD Set 4.2: A 31 GLN : amide:sc= 0.163 K(o=0.29,f=-1.9) USER MOD Single : A 2 TYR OH : rot 116:sc= 1.22 USER MOD Single : A 5 THR OG1 : rot -56:sc= 0.877 USER MOD Single : A 11 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= 3.5 (180deg=1.81) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.184 USER MOD Single : A 26 HIS : no HE2:sc= -0.342 K(o=-0.34,f=-0.84) USER MOD Single : A 32 TYR OH : rot -72:sc= 1.25 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 170:sc= 0.203 USER MOD Single : A 42 CYS SG : rot 150:sc= -0.156 USER MOD Single : A 45 CYS SG : rot -55:sc= 0.0667 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.285 USER MOD Single : A 52 SER OG : rot -60:sc= 0.446 USER MOD Single : A 55 TYR OH : rot 82:sc= 1.17 USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= 3.69 (180deg=3.37) USER MOD Single : A 66 SER OG : rot -104:sc= 0.945 USER MOD Single : A 67 TYR OH : rot 177:sc= 1.22 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= 2.49 (180deg=1.7) USER MOD Single : A 71 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= 1.67! (180deg=1.12!) USER MOD Single : A 77 LYS NZ :NH3+ 177:sc= 2.68 (180deg=2.26) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.571 3.032 7.762 1.00 0.00 N ATOM 2 CA ALA A 1 -5.982 3.094 6.420 1.00 0.00 C ATOM 3 C ALA A 1 -5.276 1.789 6.081 1.00 0.00 C ATOM 4 O ALA A 1 -4.887 1.044 6.983 1.00 0.00 O ATOM 5 CB ALA A 1 -5.038 4.271 6.285 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.409 3.647 7.802 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.850 2.053 7.974 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.873 3.353 8.463 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.793 3.239 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.619 4.288 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.583 5.197 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.232 4.176 7.012 1.00 0.00 H new ATOM 13 N TYR A 2 -5.091 1.534 4.784 1.00 0.00 N ATOM 14 CA TYR A 2 -4.404 0.360 4.270 1.00 0.00 C ATOM 15 C TYR A 2 -3.003 0.737 3.804 1.00 0.00 C ATOM 16 O TYR A 2 -2.797 1.827 3.276 1.00 0.00 O ATOM 17 CB TYR A 2 -5.215 -0.249 3.128 1.00 0.00 C ATOM 18 CG TYR A 2 -6.361 -1.118 3.599 1.00 0.00 C ATOM 19 CD1 TYR A 2 -7.591 -0.540 3.963 1.00 0.00 C ATOM 20 CD2 TYR A 2 -6.203 -2.516 3.655 1.00 0.00 C ATOM 21 CE1 TYR A 2 -8.689 -1.362 4.274 1.00 0.00 C ATOM 22 CE2 TYR A 2 -7.308 -3.335 3.930 1.00 0.00 C ATOM 23 CZ TYR A 2 -8.563 -2.758 4.178 1.00 0.00 C ATOM 24 OH TYR A 2 -9.661 -3.552 4.298 1.00 0.00 O ATOM 0 H TYR A 2 -5.425 2.157 4.049 1.00 0.00 H new ATOM 0 HA TYR A 2 -4.309 -0.383 5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.610 0.553 2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.553 -0.844 2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.692 0.535 4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.232 -2.957 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.625 -0.922 4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -7.193 -4.409 3.951 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.820 -4.020 3.452 1.00 0.00 H new ATOM 34 N VAL A 3 -2.042 -0.162 4.027 1.00 0.00 N ATOM 35 CA VAL A 3 -0.633 0.054 3.727 1.00 0.00 C ATOM 36 C VAL A 3 -0.002 -1.212 3.130 1.00 0.00 C ATOM 37 O VAL A 3 -0.266 -2.322 3.596 1.00 0.00 O ATOM 38 CB VAL A 3 0.080 0.517 5.010 1.00 0.00 C ATOM 39 CG1 VAL A 3 1.589 0.579 4.797 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.404 1.914 5.416 1.00 0.00 C ATOM 0 H VAL A 3 -2.231 -1.080 4.430 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.525 0.833 2.972 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.153 -0.203 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.073 0.909 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.959 -0.410 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.815 1.283 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.110 2.227 6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.188 2.621 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.479 1.888 5.597 1.00 0.00 H new ATOM 50 N ILE A 4 0.835 -1.029 2.096 1.00 0.00 N ATOM 51 CA ILE A 4 1.643 -2.056 1.461 1.00 0.00 C ATOM 52 C ILE A 4 2.763 -2.491 2.404 1.00 0.00 C ATOM 53 O ILE A 4 3.250 -1.679 3.188 1.00 0.00 O ATOM 54 CB ILE A 4 2.226 -1.500 0.145 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.344 -0.452 0.318 1.00 0.00 C ATOM 56 CG2 ILE A 4 1.131 -0.882 -0.737 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.767 -1.023 0.373 1.00 0.00 C ATOM 0 H ILE A 4 0.965 -0.113 1.667 1.00 0.00 H new ATOM 0 HA ILE A 4 1.026 -2.926 1.237 1.00 0.00 H new ATOM 0 HB ILE A 4 2.670 -2.375 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.286 0.259 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.158 0.108 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.576 -0.500 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.389 -1.642 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.650 -0.065 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.481 -0.209 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.851 -1.710 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.981 -1.557 -0.553 1.00 0.00 H new ATOM 69 N THR A 5 3.223 -3.739 2.305 1.00 0.00 N ATOM 70 CA THR A 5 4.384 -4.187 3.057 1.00 0.00 C ATOM 71 C THR A 5 5.277 -5.066 2.190 1.00 0.00 C ATOM 72 O THR A 5 4.834 -5.613 1.185 1.00 0.00 O ATOM 73 CB THR A 5 3.947 -4.918 4.334 1.00 0.00 C ATOM 74 OG1 THR A 5 3.050 -5.973 4.047 1.00 0.00 O ATOM 75 CG2 THR A 5 3.308 -3.958 5.336 1.00 0.00 C ATOM 0 H THR A 5 2.805 -4.454 1.710 1.00 0.00 H new ATOM 0 HA THR A 5 4.966 -3.315 3.355 1.00 0.00 H new ATOM 0 HB THR A 5 4.849 -5.339 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.279 -5.622 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.010 -4.509 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.027 -3.186 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.430 -3.494 4.886 1.00 0.00 H new ATOM 83 N GLU A 6 6.532 -5.179 2.629 1.00 0.00 N ATOM 84 CA GLU A 6 7.615 -6.032 2.166 1.00 0.00 C ATOM 85 C GLU A 6 7.310 -7.000 0.998 1.00 0.00 C ATOM 86 O GLU A 6 7.888 -6.795 -0.070 1.00 0.00 O ATOM 87 CB GLU A 6 8.304 -6.575 3.421 1.00 0.00 C ATOM 88 CG GLU A 6 9.641 -7.259 3.185 1.00 0.00 C ATOM 89 CD GLU A 6 10.578 -6.990 4.359 1.00 0.00 C ATOM 90 OE1 GLU A 6 11.073 -5.843 4.412 1.00 0.00 O ATOM 91 OE2 GLU A 6 10.701 -7.869 5.238 1.00 0.00 O ATOM 0 H GLU A 6 6.844 -4.603 3.411 1.00 0.00 H new ATOM 0 HA GLU A 6 8.342 -5.450 1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.455 -5.751 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.633 -7.284 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.494 -8.332 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.088 -6.893 2.261 1.00 0.00 H new ATOM 98 N PRO A 7 6.430 -8.017 1.101 1.00 0.00 N ATOM 99 CA PRO A 7 6.158 -8.925 -0.012 1.00 0.00 C ATOM 100 C PRO A 7 5.731 -8.236 -1.318 1.00 0.00 C ATOM 101 O PRO A 7 5.923 -8.798 -2.392 1.00 0.00 O ATOM 102 CB PRO A 7 5.081 -9.895 0.483 1.00 0.00 C ATOM 103 CG PRO A 7 5.266 -9.884 1.996 1.00 0.00 C ATOM 104 CD PRO A 7 5.678 -8.440 2.272 1.00 0.00 C ATOM 0 HA PRO A 7 7.083 -9.432 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.082 -9.566 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.218 -10.894 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.347 -10.150 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.031 -10.592 2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.805 -7.806 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.286 -8.371 3.174 1.00 0.00 H new ATOM 112 N CYS A 8 5.152 -7.033 -1.241 1.00 0.00 N ATOM 113 CA CYS A 8 4.827 -6.213 -2.403 1.00 0.00 C ATOM 114 C CYS A 8 6.058 -5.927 -3.276 1.00 0.00 C ATOM 115 O CYS A 8 5.948 -5.820 -4.500 1.00 0.00 O ATOM 116 CB CYS A 8 4.251 -4.900 -1.925 1.00 0.00 C ATOM 117 SG CYS A 8 4.245 -3.548 -3.130 1.00 0.00 S ATOM 0 H CYS A 8 4.894 -6.599 -0.355 1.00 0.00 H new ATOM 0 HA CYS A 8 4.109 -6.763 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.226 -5.074 -1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.814 -4.577 -1.049 1.00 0.00 H new ATOM 0 HG CYS A 8 4.741 -3.968 -4.256 1.00 0.00 H new ATOM 122 N ILE A 9 7.223 -5.750 -2.651 1.00 0.00 N ATOM 123 CA ILE A 9 8.397 -5.240 -3.337 1.00 0.00 C ATOM 124 C ILE A 9 8.973 -6.254 -4.331 1.00 0.00 C ATOM 125 O ILE A 9 9.848 -7.052 -4.006 1.00 0.00 O ATOM 126 CB ILE A 9 9.381 -4.597 -2.340 1.00 0.00 C ATOM 127 CG1 ILE A 9 8.722 -3.329 -1.747 1.00 0.00 C ATOM 128 CG2 ILE A 9 10.687 -4.172 -3.028 1.00 0.00 C ATOM 129 CD1 ILE A 9 8.138 -3.516 -0.361 1.00 0.00 C ATOM 0 H ILE A 9 7.373 -5.956 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 9 8.112 -4.414 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 9 9.613 -5.332 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.464 -2.532 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.931 -2.997 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.356 -3.723 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.167 -5.046 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.467 -3.445 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.697 -2.578 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.370 -4.288 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.927 -3.816 0.329 1.00 0.00 H new ATOM 141 N GLY A 10 8.472 -6.178 -5.570 1.00 0.00 N ATOM 142 CA GLY A 10 8.957 -6.914 -6.726 1.00 0.00 C ATOM 143 C GLY A 10 8.807 -6.086 -8.006 1.00 0.00 C ATOM 144 O GLY A 10 8.333 -6.605 -9.010 1.00 0.00 O ATOM 0 H GLY A 10 7.683 -5.573 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.004 -7.178 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.404 -7.848 -6.826 1.00 0.00 H new ATOM 148 N THR A 11 9.234 -4.819 -7.953 1.00 0.00 N ATOM 149 CA THR A 11 9.325 -3.844 -9.038 1.00 0.00 C ATOM 150 C THR A 11 8.076 -3.609 -9.908 1.00 0.00 C ATOM 151 O THR A 11 7.592 -4.475 -10.634 1.00 0.00 O ATOM 152 CB THR A 11 10.651 -3.966 -9.815 1.00 0.00 C ATOM 153 OG1 THR A 11 11.011 -2.702 -10.333 1.00 0.00 O ATOM 154 CG2 THR A 11 10.641 -4.986 -10.955 1.00 0.00 C ATOM 0 H THR A 11 9.552 -4.418 -7.071 1.00 0.00 H new ATOM 0 HA THR A 11 9.346 -2.889 -8.513 1.00 0.00 H new ATOM 0 HB THR A 11 11.379 -4.332 -9.091 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.233 -2.097 -9.595 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.617 -4.999 -11.440 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.421 -5.976 -10.555 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.877 -4.711 -11.683 1.00 0.00 H new ATOM 162 N LYS A 12 7.587 -2.366 -9.866 1.00 0.00 N ATOM 163 CA LYS A 12 6.529 -1.781 -10.677 1.00 0.00 C ATOM 164 C LYS A 12 5.158 -2.381 -10.374 1.00 0.00 C ATOM 165 O LYS A 12 4.295 -1.641 -9.909 1.00 0.00 O ATOM 166 CB LYS A 12 6.877 -1.724 -12.179 1.00 0.00 C ATOM 167 CG LYS A 12 7.611 -0.421 -12.554 1.00 0.00 C ATOM 168 CD LYS A 12 9.084 -0.413 -12.109 1.00 0.00 C ATOM 169 CE LYS A 12 9.631 1.000 -11.848 1.00 0.00 C ATOM 170 NZ LYS A 12 8.972 1.631 -10.691 1.00 0.00 N ATOM 0 H LYS A 12 7.959 -1.687 -9.202 1.00 0.00 H new ATOM 0 HA LYS A 12 6.454 -0.736 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.501 -2.579 -12.439 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.962 -1.807 -12.766 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.562 -0.281 -13.634 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.095 0.424 -12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.186 -1.008 -11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.691 -0.895 -12.876 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.705 0.948 -11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.483 1.618 -12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.663 2.209 -10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.194 2.236 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.594 0.894 -10.062 1.00 0.00 H new ATOM 184 N CYS A 13 4.958 -3.682 -10.620 1.00 0.00 N ATOM 185 CA CYS A 13 3.721 -4.430 -10.370 1.00 0.00 C ATOM 186 C CYS A 13 2.540 -3.938 -11.222 1.00 0.00 C ATOM 187 O CYS A 13 2.047 -4.664 -12.084 1.00 0.00 O ATOM 188 CB CYS A 13 3.398 -4.458 -8.896 1.00 0.00 C ATOM 189 SG CYS A 13 1.752 -5.078 -8.503 1.00 0.00 S ATOM 0 H CYS A 13 5.691 -4.269 -11.018 1.00 0.00 H new ATOM 0 HA CYS A 13 3.897 -5.457 -10.689 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.137 -5.077 -8.387 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.497 -3.449 -8.496 1.00 0.00 H new ATOM 0 HG CYS A 13 1.578 -5.062 -7.215 1.00 0.00 H new ATOM 194 N ALA A 14 2.085 -2.707 -10.978 1.00 0.00 N ATOM 195 CA ALA A 14 1.011 -2.029 -11.690 1.00 0.00 C ATOM 196 C ALA A 14 -0.313 -2.795 -11.616 1.00 0.00 C ATOM 197 O ALA A 14 -0.998 -2.948 -12.623 1.00 0.00 O ATOM 198 CB ALA A 14 1.430 -1.713 -13.132 1.00 0.00 C ATOM 0 H ALA A 14 2.481 -2.129 -10.237 1.00 0.00 H new ATOM 0 HA ALA A 14 0.828 -1.079 -11.187 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.613 -1.207 -13.646 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.308 -1.067 -13.123 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.667 -2.640 -13.654 1.00 0.00 H new ATOM 204 N SER A 15 -0.693 -3.228 -10.407 1.00 0.00 N ATOM 205 CA SER A 15 -2.018 -3.785 -10.133 1.00 0.00 C ATOM 206 C SER A 15 -2.832 -2.836 -9.245 1.00 0.00 C ATOM 207 O SER A 15 -3.918 -2.410 -9.638 1.00 0.00 O ATOM 208 CB SER A 15 -1.891 -5.192 -9.547 1.00 0.00 C ATOM 209 OG SER A 15 -1.149 -6.009 -10.432 1.00 0.00 O ATOM 0 H SER A 15 -0.084 -3.200 -9.589 1.00 0.00 H new ATOM 0 HA SER A 15 -2.570 -3.881 -11.068 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.398 -5.149 -8.576 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.880 -5.620 -9.384 1.00 0.00 H new ATOM 0 HG SER A 15 -0.203 -5.991 -10.178 1.00 0.00 H new ATOM 215 N CYS A 16 -2.317 -2.469 -8.064 1.00 0.00 N ATOM 216 CA CYS A 16 -2.945 -1.451 -7.224 1.00 0.00 C ATOM 217 C CYS A 16 -2.722 -0.061 -7.856 1.00 0.00 C ATOM 218 O CYS A 16 -1.869 0.716 -7.435 1.00 0.00 O ATOM 219 CB CYS A 16 -2.539 -1.585 -5.763 1.00 0.00 C ATOM 220 SG CYS A 16 -0.805 -1.343 -5.291 1.00 0.00 S ATOM 0 H CYS A 16 -1.464 -2.866 -7.671 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.024 -1.600 -7.193 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.135 -0.873 -5.192 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.831 -2.582 -5.433 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.679 -1.500 -4.007 1.00 0.00 H new ATOM 225 N VAL A 17 -3.479 0.214 -8.927 1.00 0.00 N ATOM 226 CA VAL A 17 -3.426 1.443 -9.721 1.00 0.00 C ATOM 227 C VAL A 17 -4.760 2.208 -9.604 1.00 0.00 C ATOM 228 O VAL A 17 -5.351 2.228 -8.523 1.00 0.00 O ATOM 229 CB VAL A 17 -2.989 1.110 -11.159 1.00 0.00 C ATOM 230 CG1 VAL A 17 -1.551 0.580 -11.170 1.00 0.00 C ATOM 231 CG2 VAL A 17 -3.918 0.104 -11.860 1.00 0.00 C ATOM 0 H VAL A 17 -4.175 -0.445 -9.277 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.671 2.128 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.049 2.043 -11.720 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.256 0.349 -12.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.881 1.337 -10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.491 -0.323 -10.563 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.553 -0.086 -12.869 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.934 -0.830 -11.298 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.927 0.514 -11.911 1.00 0.00 H new ATOM 241 N GLU A 18 -5.286 2.810 -10.682 1.00 0.00 N ATOM 242 CA GLU A 18 -6.422 3.735 -10.652 1.00 0.00 C ATOM 243 C GLU A 18 -7.779 3.116 -10.274 1.00 0.00 C ATOM 244 O GLU A 18 -8.826 3.717 -10.506 1.00 0.00 O ATOM 245 CB GLU A 18 -6.485 4.532 -11.964 1.00 0.00 C ATOM 246 CG GLU A 18 -6.860 3.686 -13.190 1.00 0.00 C ATOM 247 CD GLU A 18 -5.692 2.992 -13.880 1.00 0.00 C ATOM 248 OE1 GLU A 18 -4.605 2.954 -13.268 1.00 0.00 O ATOM 249 OE2 GLU A 18 -5.916 2.501 -15.006 1.00 0.00 O ATOM 0 H GLU A 18 -4.921 2.661 -11.623 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.227 4.414 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.212 5.337 -11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.516 5.000 -12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.582 2.929 -12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.361 4.328 -13.915 1.00 0.00 H new ATOM 256 N VAL A 19 -7.777 1.930 -9.666 1.00 0.00 N ATOM 257 CA VAL A 19 -8.956 1.342 -9.060 1.00 0.00 C ATOM 258 C VAL A 19 -9.294 2.122 -7.781 1.00 0.00 C ATOM 259 O VAL A 19 -10.455 2.182 -7.380 1.00 0.00 O ATOM 260 CB VAL A 19 -8.717 -0.162 -8.818 1.00 0.00 C ATOM 261 CG1 VAL A 19 -7.568 -0.452 -7.838 1.00 0.00 C ATOM 262 CG2 VAL A 19 -10.002 -0.854 -8.344 1.00 0.00 C ATOM 0 H VAL A 19 -6.943 1.349 -9.583 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.820 1.414 -9.721 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.417 -0.572 -9.782 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.457 -1.529 -7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.641 -0.034 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.790 0.002 -6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.806 -1.914 -8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.338 -0.399 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.777 -0.741 -9.102 1.00 0.00 H new ATOM 272 N CYS A 20 -8.281 2.711 -7.129 1.00 0.00 N ATOM 273 CA CYS A 20 -8.472 3.443 -5.888 1.00 0.00 C ATOM 274 C CYS A 20 -9.397 4.655 -6.125 1.00 0.00 C ATOM 275 O CYS A 20 -9.149 5.441 -7.040 1.00 0.00 O ATOM 276 CB CYS A 20 -7.133 3.853 -5.332 1.00 0.00 C ATOM 277 SG CYS A 20 -7.126 4.828 -3.805 1.00 0.00 S ATOM 0 H CYS A 20 -7.314 2.688 -7.453 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.958 2.803 -5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.550 2.949 -5.157 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.611 4.425 -6.099 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.831 6.064 -4.080 1.00 0.00 H new ATOM 282 N PRO A 21 -10.466 4.812 -5.324 1.00 0.00 N ATOM 283 CA PRO A 21 -11.535 5.773 -5.555 1.00 0.00 C ATOM 284 C PRO A 21 -11.065 7.215 -5.748 1.00 0.00 C ATOM 285 O PRO A 21 -11.717 7.966 -6.470 1.00 0.00 O ATOM 286 CB PRO A 21 -12.492 5.675 -4.360 1.00 0.00 C ATOM 287 CG PRO A 21 -11.970 4.548 -3.467 1.00 0.00 C ATOM 288 CD PRO A 21 -10.758 3.964 -4.189 1.00 0.00 C ATOM 0 HA PRO A 21 -12.020 5.518 -6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.526 6.617 -3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.508 5.464 -4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.693 4.927 -2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.735 3.787 -3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.900 3.916 -3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.964 2.945 -4.517 1.00 0.00 H new ATOM 296 N VAL A 22 -9.994 7.624 -5.057 1.00 0.00 N ATOM 297 CA VAL A 22 -9.580 9.023 -5.004 1.00 0.00 C ATOM 298 C VAL A 22 -8.061 9.165 -5.165 1.00 0.00 C ATOM 299 O VAL A 22 -7.493 10.164 -4.729 1.00 0.00 O ATOM 300 CB VAL A 22 -10.152 9.647 -3.710 1.00 0.00 C ATOM 301 CG1 VAL A 22 -9.504 9.078 -2.438 1.00 0.00 C ATOM 302 CG2 VAL A 22 -10.108 11.182 -3.709 1.00 0.00 C ATOM 0 H VAL A 22 -9.395 6.994 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.988 9.582 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.203 9.358 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.945 9.553 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.675 8.002 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.432 9.275 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.524 11.557 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.075 11.516 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.694 11.563 -4.545 1.00 0.00 H new ATOM 312 N ASP A 23 -7.408 8.184 -5.804 1.00 0.00 N ATOM 313 CA ASP A 23 -5.949 8.134 -5.918 1.00 0.00 C ATOM 314 C ASP A 23 -5.328 8.004 -4.512 1.00 0.00 C ATOM 315 O ASP A 23 -6.060 7.853 -3.533 1.00 0.00 O ATOM 316 CB ASP A 23 -5.449 9.353 -6.729 1.00 0.00 C ATOM 317 CG ASP A 23 -4.104 9.181 -7.428 1.00 0.00 C ATOM 318 OD1 ASP A 23 -3.283 8.382 -6.931 1.00 0.00 O ATOM 319 OD2 ASP A 23 -3.906 9.886 -8.440 1.00 0.00 O ATOM 0 H ASP A 23 -7.881 7.402 -6.257 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.626 7.253 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.199 9.597 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.381 10.209 -6.057 1.00 0.00 H new ATOM 324 N CYS A 24 -3.995 8.021 -4.422 1.00 0.00 N ATOM 325 CA CYS A 24 -3.105 7.841 -3.267 1.00 0.00 C ATOM 326 C CYS A 24 -2.126 6.678 -3.474 1.00 0.00 C ATOM 327 O CYS A 24 -1.250 6.473 -2.632 1.00 0.00 O ATOM 328 CB CYS A 24 -3.801 7.690 -1.907 1.00 0.00 C ATOM 329 SG CYS A 24 -4.457 6.019 -1.734 1.00 0.00 S ATOM 0 H CYS A 24 -3.443 8.182 -5.265 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.563 8.786 -3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.095 7.898 -1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.608 8.418 -1.819 1.00 0.00 H new ATOM 0 HG CYS A 24 -5.456 5.858 -2.551 1.00 0.00 H new ATOM 335 N ILE A 25 -2.268 5.920 -4.572 1.00 0.00 N ATOM 336 CA ILE A 25 -1.358 4.842 -4.948 1.00 0.00 C ATOM 337 C ILE A 25 -0.264 5.429 -5.857 1.00 0.00 C ATOM 338 O ILE A 25 -0.537 5.854 -6.975 1.00 0.00 O ATOM 339 CB ILE A 25 -2.101 3.618 -5.549 1.00 0.00 C ATOM 340 CG1 ILE A 25 -2.703 3.778 -6.957 1.00 0.00 C ATOM 341 CG2 ILE A 25 -3.146 3.003 -4.594 1.00 0.00 C ATOM 342 CD1 ILE A 25 -3.685 4.933 -7.137 1.00 0.00 C ATOM 0 H ILE A 25 -3.035 6.046 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.876 4.433 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.271 2.923 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.886 3.907 -7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.211 2.851 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.626 2.153 -5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.653 2.669 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.898 3.752 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.044 4.948 -8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.529 4.802 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.184 5.875 -6.913 1.00 0.00 H new ATOM 354 N HIS A 26 0.978 5.503 -5.372 1.00 0.00 N ATOM 355 CA HIS A 26 2.086 6.198 -6.010 1.00 0.00 C ATOM 356 C HIS A 26 3.287 5.281 -6.097 1.00 0.00 C ATOM 357 O HIS A 26 3.552 4.584 -5.132 1.00 0.00 O ATOM 358 CB HIS A 26 2.478 7.351 -5.098 1.00 0.00 C ATOM 359 CG HIS A 26 1.387 8.385 -4.994 1.00 0.00 C ATOM 360 ND1 HIS A 26 0.752 9.006 -6.048 1.00 0.00 N ATOM 361 CD2 HIS A 26 0.705 8.714 -3.856 1.00 0.00 C ATOM 362 CE1 HIS A 26 -0.263 9.727 -5.542 1.00 0.00 C ATOM 363 NE2 HIS A 26 -0.322 9.593 -4.207 1.00 0.00 N ATOM 0 H HIS A 26 1.244 5.062 -4.491 1.00 0.00 H new ATOM 0 HA HIS A 26 1.792 6.529 -7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.708 6.965 -4.105 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.387 7.820 -5.476 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.006 8.932 -7.033 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.922 8.357 -2.860 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.939 10.332 -6.129 1.00 0.00 H new ATOM 371 N GLU A 27 4.069 5.303 -7.174 1.00 0.00 N ATOM 372 CA GLU A 27 5.299 4.523 -7.164 1.00 0.00 C ATOM 373 C GLU A 27 6.317 5.176 -6.239 1.00 0.00 C ATOM 374 O GLU A 27 6.835 6.253 -6.528 1.00 0.00 O ATOM 375 CB GLU A 27 5.877 4.306 -8.555 1.00 0.00 C ATOM 376 CG GLU A 27 4.971 3.360 -9.342 1.00 0.00 C ATOM 377 CD GLU A 27 5.477 3.107 -10.753 1.00 0.00 C ATOM 378 OE1 GLU A 27 6.699 2.877 -10.886 1.00 0.00 O ATOM 379 OE2 GLU A 27 4.638 3.102 -11.677 1.00 0.00 O ATOM 0 H GLU A 27 3.884 5.828 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 27 5.053 3.531 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.966 5.259 -9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.881 3.888 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.894 2.411 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.967 3.780 -9.390 1.00 0.00 H new ATOM 386 N GLY A 28 6.638 4.485 -5.151 1.00 0.00 N ATOM 387 CA GLY A 28 7.726 4.854 -4.261 1.00 0.00 C ATOM 388 C GLY A 28 9.025 4.390 -4.901 1.00 0.00 C ATOM 389 O GLY A 28 9.664 3.464 -4.408 1.00 0.00 O ATOM 0 H GLY A 28 6.142 3.642 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.742 5.932 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.594 4.390 -3.283 1.00 0.00 H new ATOM 393 N GLU A 29 9.339 4.987 -6.055 1.00 0.00 N ATOM 394 CA GLU A 29 10.400 4.687 -6.997 1.00 0.00 C ATOM 395 C GLU A 29 10.192 3.318 -7.645 1.00 0.00 C ATOM 396 O GLU A 29 10.092 3.205 -8.871 1.00 0.00 O ATOM 397 CB GLU A 29 11.773 4.829 -6.331 1.00 0.00 C ATOM 398 CG GLU A 29 12.158 6.285 -6.027 1.00 0.00 C ATOM 399 CD GLU A 29 11.305 6.911 -4.927 1.00 0.00 C ATOM 400 OE1 GLU A 29 11.490 6.505 -3.760 1.00 0.00 O ATOM 401 OE2 GLU A 29 10.469 7.774 -5.271 1.00 0.00 O ATOM 0 H GLU A 29 8.787 5.781 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 29 10.365 5.417 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.778 4.258 -5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.530 4.389 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.207 6.324 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.061 6.878 -6.936 1.00 0.00 H new ATOM 408 N ASP A 30 10.140 2.270 -6.825 1.00 0.00 N ATOM 409 CA ASP A 30 10.124 0.892 -7.284 1.00 0.00 C ATOM 410 C ASP A 30 8.706 0.392 -7.549 1.00 0.00 C ATOM 411 O ASP A 30 8.436 -0.062 -8.658 1.00 0.00 O ATOM 412 CB ASP A 30 10.864 -0.033 -6.311 1.00 0.00 C ATOM 413 CG ASP A 30 10.952 -1.435 -6.904 1.00 0.00 C ATOM 414 OD1 ASP A 30 11.491 -1.531 -8.030 1.00 0.00 O ATOM 415 OD2 ASP A 30 10.439 -2.384 -6.273 1.00 0.00 O ATOM 0 H ASP A 30 10.107 2.361 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 30 10.656 0.870 -8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.864 0.354 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.342 -0.064 -5.355 1.00 0.00 H new ATOM 420 N GLN A 31 7.799 0.492 -6.575 1.00 0.00 N ATOM 421 CA GLN A 31 6.481 -0.136 -6.602 1.00 0.00 C ATOM 422 C GLN A 31 5.442 0.794 -5.988 1.00 0.00 C ATOM 423 O GLN A 31 5.798 1.778 -5.339 1.00 0.00 O ATOM 424 CB GLN A 31 6.528 -1.479 -5.849 1.00 0.00 C ATOM 425 CG GLN A 31 7.486 -1.510 -4.666 1.00 0.00 C ATOM 426 CD GLN A 31 7.276 -0.383 -3.672 1.00 0.00 C ATOM 427 OE1 GLN A 31 8.048 0.570 -3.632 1.00 0.00 O ATOM 428 NE2 GLN A 31 6.218 -0.485 -2.879 1.00 0.00 N ATOM 0 H GLN A 31 7.968 1.027 -5.723 1.00 0.00 H new ATOM 0 HA GLN A 31 6.196 -0.328 -7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.525 -1.716 -5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.812 -2.264 -6.550 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.377 -2.463 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.509 -1.466 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.604 -1.297 -2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.018 0.248 -2.199 1.00 0.00 H new ATOM 437 N TYR A 32 4.160 0.478 -6.193 1.00 0.00 N ATOM 438 CA TYR A 32 3.080 1.302 -5.683 1.00 0.00 C ATOM 439 C TYR A 32 3.063 1.285 -4.152 1.00 0.00 C ATOM 440 O TYR A 32 3.178 0.238 -3.517 1.00 0.00 O ATOM 441 CB TYR A 32 1.731 0.935 -6.308 1.00 0.00 C ATOM 442 CG TYR A 32 1.607 1.373 -7.753 1.00 0.00 C ATOM 443 CD1 TYR A 32 2.221 0.624 -8.772 1.00 0.00 C ATOM 444 CD2 TYR A 32 1.037 2.624 -8.055 1.00 0.00 C ATOM 445 CE1 TYR A 32 2.349 1.164 -10.063 1.00 0.00 C ATOM 446 CE2 TYR A 32 1.115 3.138 -9.359 1.00 0.00 C ATOM 447 CZ TYR A 32 1.806 2.427 -10.352 1.00 0.00 C ATOM 448 OH TYR A 32 2.040 3.017 -11.556 1.00 0.00 O ATOM 0 H TYR A 32 3.853 -0.346 -6.710 1.00 0.00 H new ATOM 0 HA TYR A 32 3.266 2.333 -5.985 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.591 -0.144 -6.248 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.931 1.393 -5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.595 -0.367 -8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.539 3.190 -7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.864 0.608 -10.832 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.644 4.080 -9.598 1.00 0.00 H new ATOM 0 HH TYR A 32 2.973 3.314 -11.599 1.00 0.00 H new ATOM 458 N TYR A 33 2.936 2.488 -3.602 1.00 0.00 N ATOM 459 CA TYR A 33 2.975 2.907 -2.221 1.00 0.00 C ATOM 460 C TYR A 33 1.636 3.595 -1.991 1.00 0.00 C ATOM 461 O TYR A 33 1.255 4.424 -2.813 1.00 0.00 O ATOM 462 CB TYR A 33 4.118 3.926 -2.059 1.00 0.00 C ATOM 463 CG TYR A 33 5.216 3.453 -1.142 1.00 0.00 C ATOM 464 CD1 TYR A 33 6.206 2.592 -1.639 1.00 0.00 C ATOM 465 CD2 TYR A 33 5.209 3.806 0.215 1.00 0.00 C ATOM 466 CE1 TYR A 33 7.167 2.050 -0.771 1.00 0.00 C ATOM 467 CE2 TYR A 33 6.185 3.280 1.080 1.00 0.00 C ATOM 468 CZ TYR A 33 7.151 2.389 0.591 1.00 0.00 C ATOM 469 OH TYR A 33 8.123 1.926 1.424 1.00 0.00 O ATOM 0 H TYR A 33 2.783 3.296 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 33 3.138 2.086 -1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.542 4.144 -3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.710 4.860 -1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.229 2.346 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.456 4.480 0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.918 1.373 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.191 3.563 2.122 1.00 0.00 H new ATOM 0 HH TYR A 33 7.960 2.257 2.332 1.00 0.00 H new ATOM 479 N ILE A 34 0.911 3.264 -0.925 1.00 0.00 N ATOM 480 CA ILE A 34 -0.391 3.834 -0.639 1.00 0.00 C ATOM 481 C ILE A 34 -0.205 4.934 0.402 1.00 0.00 C ATOM 482 O ILE A 34 0.404 4.656 1.431 1.00 0.00 O ATOM 483 CB ILE A 34 -1.333 2.727 -0.120 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.735 1.775 -1.264 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.589 3.338 0.521 1.00 0.00 C ATOM 486 CD1 ILE A 34 -2.370 0.478 -0.759 1.00 0.00 C ATOM 0 H ILE A 34 1.220 2.584 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.839 4.260 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.797 2.157 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.436 2.284 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.853 1.535 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.239 2.540 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.298 3.973 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.122 3.935 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.633 -0.153 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.661 -0.049 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.269 0.711 -0.188 1.00 0.00 H new ATOM 498 N ASP A 35 -0.712 6.156 0.185 1.00 0.00 N ATOM 499 CA ASP A 35 -0.738 7.112 1.292 1.00 0.00 C ATOM 500 C ASP A 35 -1.861 6.689 2.247 1.00 0.00 C ATOM 501 O ASP A 35 -3.029 6.814 1.876 1.00 0.00 O ATOM 502 CB ASP A 35 -0.989 8.568 0.872 1.00 0.00 C ATOM 503 CG ASP A 35 -0.686 9.495 2.041 1.00 0.00 C ATOM 504 OD1 ASP A 35 -0.918 9.099 3.200 1.00 0.00 O ATOM 505 OD2 ASP A 35 -0.151 10.605 1.845 1.00 0.00 O ATOM 0 H ASP A 35 -1.091 6.491 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 35 0.251 7.091 1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.361 8.825 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.024 8.692 0.555 1.00 0.00 H new ATOM 510 N PRO A 36 -1.568 6.224 3.469 1.00 0.00 N ATOM 511 CA PRO A 36 -2.606 5.843 4.404 1.00 0.00 C ATOM 512 C PRO A 36 -3.464 7.048 4.793 1.00 0.00 C ATOM 513 O PRO A 36 -4.632 6.902 5.131 1.00 0.00 O ATOM 514 CB PRO A 36 -1.868 5.284 5.619 1.00 0.00 C ATOM 515 CG PRO A 36 -0.509 5.978 5.582 1.00 0.00 C ATOM 516 CD PRO A 36 -0.261 6.116 4.087 1.00 0.00 C ATOM 0 HA PRO A 36 -3.289 5.111 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.402 5.502 6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.764 4.201 5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.532 6.946 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.265 5.385 6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.345 6.996 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.282 5.253 3.701 1.00 0.00 H new ATOM 524 N ASP A 37 -2.883 8.244 4.785 1.00 0.00 N ATOM 525 CA ASP A 37 -3.557 9.433 5.265 1.00 0.00 C ATOM 526 C ASP A 37 -4.506 9.972 4.193 1.00 0.00 C ATOM 527 O ASP A 37 -5.476 10.645 4.536 1.00 0.00 O ATOM 528 CB ASP A 37 -2.514 10.446 5.752 1.00 0.00 C ATOM 529 CG ASP A 37 -1.583 9.790 6.764 1.00 0.00 C ATOM 530 OD1 ASP A 37 -2.088 9.315 7.802 1.00 0.00 O ATOM 531 OD2 ASP A 37 -0.369 9.678 6.476 1.00 0.00 O ATOM 0 H ASP A 37 -1.935 8.410 4.446 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.188 9.202 6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.938 10.822 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.012 11.303 6.206 1.00 0.00 H new ATOM 536 N VAL A 38 -4.257 9.673 2.908 1.00 0.00 N ATOM 537 CA VAL A 38 -5.199 10.001 1.841 1.00 0.00 C ATOM 538 C VAL A 38 -6.190 8.846 1.615 1.00 0.00 C ATOM 539 O VAL A 38 -7.355 9.104 1.314 1.00 0.00 O ATOM 540 CB VAL A 38 -4.457 10.431 0.563 1.00 0.00 C ATOM 541 CG1 VAL A 38 -5.438 10.855 -0.540 1.00 0.00 C ATOM 542 CG2 VAL A 38 -3.520 11.615 0.847 1.00 0.00 C ATOM 0 H VAL A 38 -3.409 9.204 2.589 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.796 10.861 2.146 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.882 9.567 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.880 11.152 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.093 10.019 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.038 11.695 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.007 11.901 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.102 12.460 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.785 11.326 1.598 1.00 0.00 H new ATOM 552 N CYS A 39 -5.760 7.585 1.750 1.00 0.00 N ATOM 553 CA CYS A 39 -6.654 6.432 1.640 1.00 0.00 C ATOM 554 C CYS A 39 -7.836 6.565 2.613 1.00 0.00 C ATOM 555 O CYS A 39 -7.655 6.809 3.804 1.00 0.00 O ATOM 556 CB CYS A 39 -5.898 5.155 1.911 1.00 0.00 C ATOM 557 SG CYS A 39 -6.930 3.685 2.122 1.00 0.00 S ATOM 0 H CYS A 39 -4.788 7.339 1.937 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.047 6.400 0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.205 4.979 1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.297 5.290 2.810 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.178 2.625 2.135 1.00 0.00 H new ATOM 562 N ILE A 40 -9.060 6.383 2.106 1.00 0.00 N ATOM 563 CA ILE A 40 -10.291 6.521 2.877 1.00 0.00 C ATOM 564 C ILE A 40 -10.810 5.152 3.356 1.00 0.00 C ATOM 565 O ILE A 40 -12.018 4.936 3.412 1.00 0.00 O ATOM 566 CB ILE A 40 -11.324 7.319 2.052 1.00 0.00 C ATOM 567 CG1 ILE A 40 -11.600 6.658 0.688 1.00 0.00 C ATOM 568 CG2 ILE A 40 -10.843 8.765 1.856 1.00 0.00 C ATOM 569 CD1 ILE A 40 -12.865 7.204 0.021 1.00 0.00 C ATOM 0 H ILE A 40 -9.221 6.131 1.131 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.094 7.086 3.788 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.260 7.324 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.747 6.820 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.699 5.581 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.580 9.318 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.718 9.242 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.890 8.763 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.015 6.706 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.725 7.019 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -12.757 8.277 -0.141 1.00 0.00 H new ATOM 581 N ASP A 41 -9.897 4.232 3.706 1.00 0.00 N ATOM 582 CA ASP A 41 -10.176 2.906 4.276 1.00 0.00 C ATOM 583 C ASP A 41 -11.251 2.127 3.495 1.00 0.00 C ATOM 584 O ASP A 41 -12.058 1.397 4.067 1.00 0.00 O ATOM 585 CB ASP A 41 -10.498 3.025 5.786 1.00 0.00 C ATOM 586 CG ASP A 41 -9.325 2.772 6.721 1.00 0.00 C ATOM 587 OD1 ASP A 41 -8.481 1.878 6.481 1.00 0.00 O ATOM 588 OD2 ASP A 41 -9.219 3.469 7.745 1.00 0.00 O ATOM 0 H ASP A 41 -8.897 4.401 3.594 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.271 2.308 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.888 4.024 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.293 2.320 6.028 1.00 0.00 H new ATOM 593 N CYS A 42 -11.247 2.249 2.165 1.00 0.00 N ATOM 594 CA CYS A 42 -12.280 1.655 1.322 1.00 0.00 C ATOM 595 C CYS A 42 -12.092 0.146 1.092 1.00 0.00 C ATOM 596 O CYS A 42 -13.048 -0.560 0.771 1.00 0.00 O ATOM 597 CB CYS A 42 -12.332 2.385 0.005 1.00 0.00 C ATOM 598 SG CYS A 42 -11.309 1.685 -1.309 1.00 0.00 S ATOM 0 H CYS A 42 -10.531 2.759 1.648 1.00 0.00 H new ATOM 0 HA CYS A 42 -13.226 1.762 1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -13.367 2.409 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -12.026 3.418 0.169 1.00 0.00 H new ATOM 0 HG CYS A 42 -11.859 1.926 -2.462 1.00 0.00 H new ATOM 603 N GLY A 43 -10.854 -0.338 1.227 1.00 0.00 N ATOM 604 CA GLY A 43 -10.450 -1.679 0.836 1.00 0.00 C ATOM 605 C GLY A 43 -10.137 -1.765 -0.668 1.00 0.00 C ATOM 606 O GLY A 43 -9.549 -0.849 -1.254 1.00 0.00 O ATOM 0 H GLY A 43 -10.090 0.211 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.571 -1.975 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.243 -2.384 1.083 1.00 0.00 H new ATOM 610 N ALA A 44 -10.516 -2.881 -1.299 1.00 0.00 N ATOM 611 CA ALA A 44 -10.449 -3.144 -2.739 1.00 0.00 C ATOM 612 C ALA A 44 -9.023 -3.419 -3.233 1.00 0.00 C ATOM 613 O ALA A 44 -8.722 -4.533 -3.673 1.00 0.00 O ATOM 614 CB ALA A 44 -11.138 -2.037 -3.551 1.00 0.00 C ATOM 0 H ALA A 44 -10.902 -3.673 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.006 -4.066 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -11.067 -2.268 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.187 -1.974 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.649 -1.083 -3.354 1.00 0.00 H new ATOM 620 N CYS A 45 -8.141 -2.418 -3.149 1.00 0.00 N ATOM 621 CA CYS A 45 -6.722 -2.527 -3.500 1.00 0.00 C ATOM 622 C CYS A 45 -6.124 -3.801 -2.869 1.00 0.00 C ATOM 623 O CYS A 45 -5.444 -4.582 -3.538 1.00 0.00 O ATOM 624 CB CYS A 45 -6.018 -1.238 -3.126 1.00 0.00 C ATOM 625 SG CYS A 45 -6.098 -0.799 -1.375 1.00 0.00 S ATOM 0 H CYS A 45 -8.401 -1.486 -2.827 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.583 -2.646 -4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.971 -1.317 -3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.450 -0.424 -3.708 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.341 -0.752 -0.996 1.00 0.00 H new ATOM 630 N GLU A 46 -6.491 -4.057 -1.608 1.00 0.00 N ATOM 631 CA GLU A 46 -6.201 -5.259 -0.831 1.00 0.00 C ATOM 632 C GLU A 46 -6.326 -6.574 -1.622 1.00 0.00 C ATOM 633 O GLU A 46 -5.489 -7.473 -1.491 1.00 0.00 O ATOM 634 CB GLU A 46 -7.106 -5.262 0.416 1.00 0.00 C ATOM 635 CG GLU A 46 -8.580 -5.492 0.043 1.00 0.00 C ATOM 636 CD GLU A 46 -9.573 -5.095 1.121 1.00 0.00 C ATOM 637 OE1 GLU A 46 -9.224 -5.196 2.317 1.00 0.00 O ATOM 638 OE2 GLU A 46 -10.676 -4.680 0.705 1.00 0.00 O ATOM 0 H GLU A 46 -7.035 -3.382 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.150 -5.219 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.778 -6.042 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.007 -4.312 0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.804 -4.930 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.721 -6.547 -0.193 1.00 0.00 H new ATOM 645 N ALA A 47 -7.400 -6.697 -2.405 1.00 0.00 N ATOM 646 CA ALA A 47 -7.744 -7.898 -3.149 1.00 0.00 C ATOM 647 C ALA A 47 -7.169 -7.826 -4.560 1.00 0.00 C ATOM 648 O ALA A 47 -6.890 -8.855 -5.170 1.00 0.00 O ATOM 649 CB ALA A 47 -9.267 -8.052 -3.183 1.00 0.00 C ATOM 0 H ALA A 47 -8.070 -5.939 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.314 -8.770 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.529 -8.951 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.647 -8.132 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.710 -7.182 -3.669 1.00 0.00 H new ATOM 655 N VAL A 48 -7.000 -6.611 -5.091 1.00 0.00 N ATOM 656 CA VAL A 48 -6.376 -6.406 -6.384 1.00 0.00 C ATOM 657 C VAL A 48 -4.921 -6.881 -6.337 1.00 0.00 C ATOM 658 O VAL A 48 -4.455 -7.474 -7.307 1.00 0.00 O ATOM 659 CB VAL A 48 -6.530 -4.936 -6.790 1.00 0.00 C ATOM 660 CG1 VAL A 48 -5.713 -4.596 -8.037 1.00 0.00 C ATOM 661 CG2 VAL A 48 -8.008 -4.592 -7.039 1.00 0.00 C ATOM 0 H VAL A 48 -7.294 -5.749 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.867 -7.001 -7.154 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.150 -4.339 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.852 -3.544 -8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.657 -4.786 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.046 -5.215 -8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.094 -3.544 -7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.398 -5.221 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.581 -4.767 -6.128 1.00 0.00 H new ATOM 671 N CYS A 49 -4.204 -6.653 -5.228 1.00 0.00 N ATOM 672 CA CYS A 49 -2.885 -7.254 -5.035 1.00 0.00 C ATOM 673 C CYS A 49 -3.046 -8.787 -5.036 1.00 0.00 C ATOM 674 O CYS A 49 -3.618 -9.318 -4.082 1.00 0.00 O ATOM 675 CB CYS A 49 -2.272 -6.763 -3.735 1.00 0.00 C ATOM 676 SG CYS A 49 -0.506 -7.003 -3.485 1.00 0.00 S ATOM 0 H CYS A 49 -4.516 -6.061 -4.458 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.212 -6.964 -5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.478 -5.696 -3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.794 -7.254 -2.914 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.162 -6.522 -2.327 1.00 0.00 H new ATOM 681 N PRO A 50 -2.529 -9.546 -6.024 1.00 0.00 N ATOM 682 CA PRO A 50 -2.771 -10.990 -6.147 1.00 0.00 C ATOM 683 C PRO A 50 -1.944 -11.820 -5.146 1.00 0.00 C ATOM 684 O PRO A 50 -1.563 -12.957 -5.413 1.00 0.00 O ATOM 685 CB PRO A 50 -2.411 -11.317 -7.600 1.00 0.00 C ATOM 686 CG PRO A 50 -1.302 -10.314 -7.920 1.00 0.00 C ATOM 687 CD PRO A 50 -1.696 -9.072 -7.118 1.00 0.00 C ATOM 0 HA PRO A 50 -3.804 -11.245 -5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.067 -12.346 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.267 -11.196 -8.264 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.323 -10.690 -7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.250 -10.102 -8.988 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.813 -8.556 -6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.239 -8.361 -7.741 1.00 0.00 H new ATOM 695 N VAL A 51 -1.652 -11.220 -3.996 1.00 0.00 N ATOM 696 CA VAL A 51 -0.799 -11.669 -2.915 1.00 0.00 C ATOM 697 C VAL A 51 -1.399 -11.162 -1.592 1.00 0.00 C ATOM 698 O VAL A 51 -1.194 -11.785 -0.552 1.00 0.00 O ATOM 699 CB VAL A 51 0.664 -11.193 -3.142 1.00 0.00 C ATOM 700 CG1 VAL A 51 0.874 -10.414 -4.451 1.00 0.00 C ATOM 701 CG2 VAL A 51 1.197 -10.285 -2.030 1.00 0.00 C ATOM 0 H VAL A 51 -2.055 -10.308 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.755 -12.757 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 51 1.207 -12.138 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.920 -10.118 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.608 -11.047 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.244 -9.525 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.222 -9.994 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.574 -9.393 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.175 -10.821 -1.081 1.00 0.00 H new ATOM 711 N SER A 52 -2.110 -10.021 -1.612 1.00 0.00 N ATOM 712 CA SER A 52 -2.616 -9.348 -0.432 1.00 0.00 C ATOM 713 C SER A 52 -1.482 -9.048 0.549 1.00 0.00 C ATOM 714 O SER A 52 -1.521 -9.455 1.708 1.00 0.00 O ATOM 715 CB SER A 52 -3.781 -10.140 0.163 1.00 0.00 C ATOM 716 OG SER A 52 -4.769 -10.315 -0.839 1.00 0.00 O ATOM 0 H SER A 52 -2.348 -9.539 -2.479 1.00 0.00 H new ATOM 0 HA SER A 52 -3.024 -8.373 -0.701 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.434 -11.108 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.200 -9.611 1.019 1.00 0.00 H new ATOM 0 HG SER A 52 -5.090 -9.439 -1.138 1.00 0.00 H new ATOM 722 N ALA A 53 -0.484 -8.300 0.065 1.00 0.00 N ATOM 723 CA ALA A 53 0.596 -7.728 0.868 1.00 0.00 C ATOM 724 C ALA A 53 0.144 -6.428 1.537 1.00 0.00 C ATOM 725 O ALA A 53 0.830 -5.899 2.412 1.00 0.00 O ATOM 726 CB ALA A 53 1.802 -7.438 -0.031 1.00 0.00 C ATOM 0 H ALA A 53 -0.406 -8.071 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 53 0.869 -8.445 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.607 -7.012 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.144 -8.365 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.514 -6.731 -0.809 1.00 0.00 H new ATOM 732 N ILE A 54 -0.991 -5.892 1.084 1.00 0.00 N ATOM 733 CA ILE A 54 -1.612 -4.720 1.654 1.00 0.00 C ATOM 734 C ILE A 54 -2.387 -5.181 2.886 1.00 0.00 C ATOM 735 O ILE A 54 -3.228 -6.071 2.777 1.00 0.00 O ATOM 736 CB ILE A 54 -2.540 -4.063 0.618 1.00 0.00 C ATOM 737 CG1 ILE A 54 -1.822 -3.857 -0.728 1.00 0.00 C ATOM 738 CG2 ILE A 54 -3.042 -2.729 1.184 1.00 0.00 C ATOM 739 CD1 ILE A 54 -2.702 -3.258 -1.828 1.00 0.00 C ATOM 0 H ILE A 54 -1.506 -6.278 0.293 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.871 -3.973 1.938 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.387 -4.721 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.963 -3.205 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.436 -4.817 -1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.702 -2.252 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.589 -2.909 2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.192 -2.077 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.118 -3.147 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.548 -3.918 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.068 -2.282 -1.510 1.00 0.00 H new ATOM 751 N TYR A 55 -2.113 -4.584 4.045 1.00 0.00 N ATOM 752 CA TYR A 55 -2.832 -4.843 5.275 1.00 0.00 C ATOM 753 C TYR A 55 -3.278 -3.509 5.850 1.00 0.00 C ATOM 754 O TYR A 55 -2.805 -2.459 5.421 1.00 0.00 O ATOM 755 CB TYR A 55 -1.886 -5.542 6.247 1.00 0.00 C ATOM 756 CG TYR A 55 -1.436 -6.915 5.793 1.00 0.00 C ATOM 757 CD1 TYR A 55 -2.388 -7.933 5.592 1.00 0.00 C ATOM 758 CD2 TYR A 55 -0.091 -7.135 5.436 1.00 0.00 C ATOM 759 CE1 TYR A 55 -2.007 -9.140 4.985 1.00 0.00 C ATOM 760 CE2 TYR A 55 0.294 -8.357 4.863 1.00 0.00 C ATOM 761 CZ TYR A 55 -0.669 -9.347 4.610 1.00 0.00 C ATOM 762 OH TYR A 55 -0.326 -10.448 3.889 1.00 0.00 O ATOM 0 H TYR A 55 -1.369 -3.894 4.149 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.702 -5.476 5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.007 -4.915 6.396 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.380 -5.635 7.214 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.411 -7.785 5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.645 -6.362 5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.743 -9.910 4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.330 -8.536 4.617 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.518 -10.291 2.941 1.00 0.00 H new ATOM 772 N HIS A 56 -4.168 -3.538 6.840 1.00 0.00 N ATOM 773 CA HIS A 56 -4.491 -2.326 7.569 1.00 0.00 C ATOM 774 C HIS A 56 -3.258 -1.887 8.346 1.00 0.00 C ATOM 775 O HIS A 56 -2.494 -2.732 8.818 1.00 0.00 O ATOM 776 CB HIS A 56 -5.676 -2.569 8.512 1.00 0.00 C ATOM 777 CG HIS A 56 -6.604 -1.392 8.621 1.00 0.00 C ATOM 778 ND1 HIS A 56 -7.847 -1.283 8.043 1.00 0.00 N ATOM 779 CD2 HIS A 56 -6.383 -0.256 9.347 1.00 0.00 C ATOM 780 CE1 HIS A 56 -8.366 -0.107 8.436 1.00 0.00 C ATOM 781 NE2 HIS A 56 -7.489 0.584 9.188 1.00 0.00 N ATOM 0 H HIS A 56 -4.667 -4.373 7.147 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.781 -1.538 6.874 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.238 -3.434 8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.297 -2.816 9.504 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -8.292 -1.967 7.431 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.506 -0.044 9.941 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.357 0.238 8.182 1.00 0.00 H new ATOM 789 N GLU A 57 -3.053 -0.581 8.505 1.00 0.00 N ATOM 790 CA GLU A 57 -1.886 -0.086 9.198 1.00 0.00 C ATOM 791 C GLU A 57 -1.755 -0.644 10.615 1.00 0.00 C ATOM 792 O GLU A 57 -0.674 -0.982 11.093 1.00 0.00 O ATOM 793 CB GLU A 57 -1.874 1.436 9.113 1.00 0.00 C ATOM 794 CG GLU A 57 -2.965 2.066 9.952 1.00 0.00 C ATOM 795 CD GLU A 57 -3.301 3.492 9.534 1.00 0.00 C ATOM 796 OE1 GLU A 57 -2.395 4.364 9.542 1.00 0.00 O ATOM 797 OE2 GLU A 57 -4.485 3.668 9.178 1.00 0.00 O ATOM 0 H GLU A 57 -3.683 0.144 8.161 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.986 -0.452 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.904 1.809 9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.996 1.741 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.864 1.454 9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.656 2.065 10.997 1.00 0.00 H new ATOM 804 N ASP A 58 -2.895 -0.809 11.262 1.00 0.00 N ATOM 805 CA ASP A 58 -2.975 -1.499 12.536 1.00 0.00 C ATOM 806 C ASP A 58 -2.386 -2.914 12.465 1.00 0.00 C ATOM 807 O ASP A 58 -1.599 -3.328 13.322 1.00 0.00 O ATOM 808 CB ASP A 58 -4.432 -1.522 12.998 1.00 0.00 C ATOM 809 CG ASP A 58 -4.564 -2.239 14.333 1.00 0.00 C ATOM 810 OD1 ASP A 58 -3.989 -1.715 15.310 1.00 0.00 O ATOM 811 OD2 ASP A 58 -5.228 -3.295 14.343 1.00 0.00 O ATOM 0 H ASP A 58 -3.792 -0.468 10.918 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.372 -0.958 13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.805 -0.502 13.089 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.048 -2.021 12.250 1.00 0.00 H new ATOM 816 N PHE A 59 -2.733 -3.625 11.392 1.00 0.00 N ATOM 817 CA PHE A 59 -2.500 -5.045 11.216 1.00 0.00 C ATOM 818 C PHE A 59 -1.059 -5.343 10.827 1.00 0.00 C ATOM 819 O PHE A 59 -0.537 -6.395 11.190 1.00 0.00 O ATOM 820 CB PHE A 59 -3.433 -5.573 10.121 1.00 0.00 C ATOM 821 CG PHE A 59 -4.931 -5.583 10.371 1.00 0.00 C ATOM 822 CD1 PHE A 59 -5.493 -5.081 11.562 1.00 0.00 C ATOM 823 CD2 PHE A 59 -5.779 -6.107 9.376 1.00 0.00 C ATOM 824 CE1 PHE A 59 -6.887 -5.035 11.723 1.00 0.00 C ATOM 825 CE2 PHE A 59 -7.174 -6.077 9.544 1.00 0.00 C ATOM 826 CZ PHE A 59 -7.730 -5.526 10.712 1.00 0.00 C ATOM 0 H PHE A 59 -3.204 -3.202 10.592 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.699 -5.538 12.168 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.253 -4.982 9.223 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.130 -6.596 9.896 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.848 -4.730 12.354 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.355 -6.534 8.479 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.312 -4.621 12.626 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.819 -6.477 8.776 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.802 -5.480 10.832 1.00 0.00 H new ATOM 836 N VAL A 60 -0.431 -4.460 10.045 1.00 0.00 N ATOM 837 CA VAL A 60 0.963 -4.638 9.648 1.00 0.00 C ATOM 838 C VAL A 60 1.819 -4.933 10.894 1.00 0.00 C ATOM 839 O VAL A 60 1.782 -4.133 11.831 1.00 0.00 O ATOM 840 CB VAL A 60 1.452 -3.379 8.917 1.00 0.00 C ATOM 841 CG1 VAL A 60 2.979 -3.375 8.776 1.00 0.00 C ATOM 842 CG2 VAL A 60 0.793 -3.237 7.542 1.00 0.00 C ATOM 0 H VAL A 60 -0.868 -3.616 9.676 1.00 0.00 H new ATOM 0 HA VAL A 60 1.054 -5.484 8.966 1.00 0.00 H new ATOM 0 HB VAL A 60 1.160 -2.522 9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.294 -2.471 8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.436 -3.401 9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.294 -4.250 8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.162 -2.335 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.035 -4.106 6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.288 -3.168 7.662 1.00 0.00 H new ATOM 852 N PRO A 61 2.575 -6.047 10.941 1.00 0.00 N ATOM 853 CA PRO A 61 3.436 -6.375 12.071 1.00 0.00 C ATOM 854 C PRO A 61 4.413 -5.244 12.398 1.00 0.00 C ATOM 855 O PRO A 61 4.910 -4.582 11.492 1.00 0.00 O ATOM 856 CB PRO A 61 4.197 -7.640 11.663 1.00 0.00 C ATOM 857 CG PRO A 61 3.287 -8.294 10.626 1.00 0.00 C ATOM 858 CD PRO A 61 2.615 -7.105 9.943 1.00 0.00 C ATOM 0 HA PRO A 61 2.842 -6.526 12.973 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.174 -7.401 11.244 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.368 -8.297 12.516 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.854 -8.896 9.917 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.556 -8.955 11.093 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.176 -6.791 9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.611 -7.363 9.606 1.00 0.00 H new ATOM 866 N GLU A 62 4.694 -5.030 13.681 1.00 0.00 N ATOM 867 CA GLU A 62 5.594 -4.068 14.260 1.00 0.00 C ATOM 868 C GLU A 62 6.919 -3.971 13.495 1.00 0.00 C ATOM 869 O GLU A 62 7.354 -2.870 13.162 1.00 0.00 O ATOM 870 CB GLU A 62 5.769 -4.557 15.700 1.00 0.00 C ATOM 871 CG GLU A 62 4.649 -4.091 16.648 1.00 0.00 C ATOM 872 CD GLU A 62 3.250 -4.471 16.179 1.00 0.00 C ATOM 873 OE1 GLU A 62 3.090 -5.621 15.723 1.00 0.00 O ATOM 874 OE2 GLU A 62 2.373 -3.580 16.196 1.00 0.00 O ATOM 0 H GLU A 62 4.244 -5.590 14.405 1.00 0.00 H new ATOM 0 HA GLU A 62 5.205 -3.051 14.217 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.807 -5.646 15.703 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.727 -4.204 16.081 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.820 -4.519 17.636 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.704 -3.008 16.756 1.00 0.00 H new ATOM 881 N GLU A 63 7.540 -5.103 13.165 1.00 0.00 N ATOM 882 CA GLU A 63 8.733 -5.168 12.332 1.00 0.00 C ATOM 883 C GLU A 63 8.578 -4.287 11.085 1.00 0.00 C ATOM 884 O GLU A 63 9.481 -3.535 10.714 1.00 0.00 O ATOM 885 CB GLU A 63 8.997 -6.623 11.920 1.00 0.00 C ATOM 886 CG GLU A 63 9.130 -7.594 13.108 1.00 0.00 C ATOM 887 CD GLU A 63 7.832 -8.322 13.452 1.00 0.00 C ATOM 888 OE1 GLU A 63 6.812 -7.621 13.638 1.00 0.00 O ATOM 889 OE2 GLU A 63 7.880 -9.568 13.516 1.00 0.00 O ATOM 0 H GLU A 63 7.218 -6.019 13.478 1.00 0.00 H new ATOM 0 HA GLU A 63 9.580 -4.795 12.908 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.185 -6.961 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.911 -6.662 11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.900 -8.331 12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.469 -7.040 13.983 1.00 0.00 H new ATOM 896 N TRP A 64 7.409 -4.393 10.451 1.00 0.00 N ATOM 897 CA TRP A 64 7.050 -3.717 9.222 1.00 0.00 C ATOM 898 C TRP A 64 6.228 -2.447 9.472 1.00 0.00 C ATOM 899 O TRP A 64 5.917 -1.739 8.515 1.00 0.00 O ATOM 900 CB TRP A 64 6.320 -4.717 8.314 1.00 0.00 C ATOM 901 CG TRP A 64 7.137 -5.845 7.744 1.00 0.00 C ATOM 902 CD1 TRP A 64 8.490 -5.896 7.663 1.00 0.00 C ATOM 903 CD2 TRP A 64 6.659 -7.062 7.087 1.00 0.00 C ATOM 904 NE1 TRP A 64 8.871 -7.042 7.002 1.00 0.00 N ATOM 905 CE2 TRP A 64 7.789 -7.805 6.642 1.00 0.00 C ATOM 906 CE3 TRP A 64 5.388 -7.595 6.772 1.00 0.00 C ATOM 907 CZ2 TRP A 64 7.678 -8.999 5.922 1.00 0.00 C ATOM 908 CZ3 TRP A 64 5.262 -8.777 6.016 1.00 0.00 C ATOM 909 CH2 TRP A 64 6.407 -9.461 5.567 1.00 0.00 C ATOM 0 H TRP A 64 6.656 -4.983 10.805 1.00 0.00 H new ATOM 0 HA TRP A 64 7.956 -3.373 8.723 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.495 -5.149 8.880 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.881 -4.163 7.484 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.166 -5.151 8.057 1.00 0.00 H new ATOM 0 HE1 TRP A 64 9.840 -7.293 6.804 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.499 -7.088 7.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 8.561 -9.556 5.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.281 -9.161 5.780 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.304 -10.341 4.949 1.00 0.00 H new ATOM 920 N LYS A 65 5.929 -2.072 10.724 1.00 0.00 N ATOM 921 CA LYS A 65 5.334 -0.791 11.033 1.00 0.00 C ATOM 922 C LYS A 65 6.260 0.359 10.602 1.00 0.00 C ATOM 923 O LYS A 65 5.814 1.481 10.355 1.00 0.00 O ATOM 924 CB LYS A 65 4.871 -0.799 12.495 1.00 0.00 C ATOM 925 CG LYS A 65 3.493 -1.476 12.665 1.00 0.00 C ATOM 926 CD LYS A 65 2.813 -1.123 14.001 1.00 0.00 C ATOM 927 CE LYS A 65 1.303 -1.447 14.025 1.00 0.00 C ATOM 928 NZ LYS A 65 1.002 -2.894 14.065 1.00 0.00 N ATOM 0 H LYS A 65 6.098 -2.658 11.542 1.00 0.00 H new ATOM 0 HA LYS A 65 4.431 -0.609 10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.608 -1.321 13.105 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.819 0.225 12.864 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.843 -1.178 11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.614 -2.557 12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.307 -1.667 14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.952 -0.061 14.202 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.852 -0.968 14.894 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.834 -1.012 13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.002 -3.047 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.603 -3.393 13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.189 -3.261 15.020 1.00 0.00 H new ATOM 942 N SER A 66 7.545 0.058 10.409 1.00 0.00 N ATOM 943 CA SER A 66 8.498 0.940 9.768 1.00 0.00 C ATOM 944 C SER A 66 7.974 1.375 8.391 1.00 0.00 C ATOM 945 O SER A 66 8.048 2.552 8.031 1.00 0.00 O ATOM 946 CB SER A 66 9.812 0.157 9.646 1.00 0.00 C ATOM 947 OG SER A 66 9.510 -1.188 9.292 1.00 0.00 O ATOM 0 H SER A 66 7.953 -0.829 10.704 1.00 0.00 H new ATOM 0 HA SER A 66 8.653 1.850 10.348 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.454 0.611 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.358 0.186 10.589 1.00 0.00 H new ATOM 0 HG SER A 66 9.611 -1.764 10.078 1.00 0.00 H new ATOM 953 N TYR A 67 7.403 0.446 7.617 1.00 0.00 N ATOM 954 CA TYR A 67 6.832 0.807 6.332 1.00 0.00 C ATOM 955 C TYR A 67 5.649 1.739 6.504 1.00 0.00 C ATOM 956 O TYR A 67 5.475 2.610 5.661 1.00 0.00 O ATOM 957 CB TYR A 67 6.376 -0.390 5.501 1.00 0.00 C ATOM 958 CG TYR A 67 7.489 -1.235 4.919 1.00 0.00 C ATOM 959 CD1 TYR A 67 8.040 -0.894 3.671 1.00 0.00 C ATOM 960 CD2 TYR A 67 7.961 -2.370 5.601 1.00 0.00 C ATOM 961 CE1 TYR A 67 9.052 -1.687 3.105 1.00 0.00 C ATOM 962 CE2 TYR A 67 8.981 -3.159 5.040 1.00 0.00 C ATOM 963 CZ TYR A 67 9.528 -2.818 3.791 1.00 0.00 C ATOM 964 OH TYR A 67 10.503 -3.577 3.218 1.00 0.00 O ATOM 0 H TYR A 67 7.328 -0.542 7.859 1.00 0.00 H new ATOM 0 HA TYR A 67 7.642 1.301 5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.747 -1.026 6.124 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.752 -0.028 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.684 -0.020 3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.539 -2.637 6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.465 -1.427 2.141 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.344 -4.028 5.569 1.00 0.00 H new ATOM 0 HH TYR A 67 10.762 -4.295 3.833 1.00 0.00 H new ATOM 974 N ILE A 68 4.807 1.592 7.531 1.00 0.00 N ATOM 975 CA ILE A 68 3.715 2.523 7.713 1.00 0.00 C ATOM 976 C ILE A 68 4.280 3.918 7.901 1.00 0.00 C ATOM 977 O ILE A 68 3.802 4.860 7.273 1.00 0.00 O ATOM 978 CB ILE A 68 2.874 2.058 8.891 1.00 0.00 C ATOM 979 CG1 ILE A 68 2.033 0.872 8.441 1.00 0.00 C ATOM 980 CG2 ILE A 68 1.946 3.150 9.396 1.00 0.00 C ATOM 981 CD1 ILE A 68 1.821 -0.046 9.611 1.00 0.00 C ATOM 0 H ILE A 68 4.866 0.851 8.229 1.00 0.00 H new ATOM 0 HA ILE A 68 3.065 2.557 6.838 1.00 0.00 H new ATOM 0 HB ILE A 68 3.547 1.788 9.705 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.074 1.216 8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.533 0.341 7.631 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.365 2.773 10.238 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.536 4.009 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.271 3.453 8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.219 -0.900 9.299 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.786 -0.397 9.978 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.304 0.491 10.406 1.00 0.00 H new ATOM 993 N GLN A 69 5.320 4.044 8.727 1.00 0.00 N ATOM 994 CA GLN A 69 5.997 5.320 8.846 1.00 0.00 C ATOM 995 C GLN A 69 6.436 5.821 7.471 1.00 0.00 C ATOM 996 O GLN A 69 6.163 6.966 7.131 1.00 0.00 O ATOM 997 CB GLN A 69 7.158 5.242 9.837 1.00 0.00 C ATOM 998 CG GLN A 69 7.774 6.635 10.010 1.00 0.00 C ATOM 999 CD GLN A 69 8.428 6.789 11.374 1.00 0.00 C ATOM 1000 OE1 GLN A 69 9.642 6.688 11.510 1.00 0.00 O ATOM 1001 NE2 GLN A 69 7.618 7.040 12.399 1.00 0.00 N ATOM 0 H GLN A 69 5.699 3.295 9.306 1.00 0.00 H new ATOM 0 HA GLN A 69 5.296 6.050 9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.806 4.866 10.798 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.911 4.541 9.477 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.515 6.806 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.001 7.394 9.888 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.612 7.117 12.247 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.003 7.155 13.337 1.00 0.00 H new ATOM 1010 N LYS A 70 7.077 4.977 6.662 1.00 0.00 N ATOM 1011 CA LYS A 70 7.557 5.402 5.353 1.00 0.00 C ATOM 1012 C LYS A 70 6.414 5.853 4.440 1.00 0.00 C ATOM 1013 O LYS A 70 6.529 6.864 3.742 1.00 0.00 O ATOM 1014 CB LYS A 70 8.371 4.278 4.697 1.00 0.00 C ATOM 1015 CG LYS A 70 9.090 4.737 3.419 1.00 0.00 C ATOM 1016 CD LYS A 70 10.240 5.726 3.677 1.00 0.00 C ATOM 1017 CE LYS A 70 10.408 6.697 2.499 1.00 0.00 C ATOM 1018 NZ LYS A 70 9.331 7.710 2.450 1.00 0.00 N ATOM 0 H LYS A 70 7.273 4.002 6.890 1.00 0.00 H new ATOM 0 HA LYS A 70 8.204 6.267 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.107 3.904 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.708 3.447 4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.484 3.863 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.365 5.203 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.043 6.288 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.168 5.176 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.372 7.199 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.418 6.134 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.611 8.483 1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.457 7.270 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.168 8.089 3.404 1.00 0.00 H new ATOM 1032 N ASN A 71 5.341 5.066 4.421 1.00 0.00 N ATOM 1033 CA ASN A 71 4.121 5.348 3.674 1.00 0.00 C ATOM 1034 C ASN A 71 3.505 6.683 4.115 1.00 0.00 C ATOM 1035 O ASN A 71 3.094 7.479 3.275 1.00 0.00 O ATOM 1036 CB ASN A 71 3.117 4.197 3.801 1.00 0.00 C ATOM 1037 CG ASN A 71 3.350 3.013 2.858 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.715 2.889 1.814 1.00 0.00 O ATOM 1039 ND2 ASN A 71 4.230 2.092 3.230 1.00 0.00 N ATOM 0 H ASN A 71 5.297 4.189 4.941 1.00 0.00 H new ATOM 0 HA ASN A 71 4.383 5.437 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.138 3.831 4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.116 4.590 3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.385 1.270 2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.751 2.206 4.099 1.00 0.00 H new ATOM 1046 N ARG A 72 3.454 6.944 5.427 1.00 0.00 N ATOM 1047 CA ARG A 72 2.990 8.190 6.008 1.00 0.00 C ATOM 1048 C ARG A 72 3.857 9.315 5.445 1.00 0.00 C ATOM 1049 O ARG A 72 3.376 10.228 4.770 1.00 0.00 O ATOM 1050 CB ARG A 72 3.130 8.052 7.532 1.00 0.00 C ATOM 1051 CG ARG A 72 2.351 9.058 8.382 1.00 0.00 C ATOM 1052 CD ARG A 72 1.386 8.299 9.295 1.00 0.00 C ATOM 1053 NE ARG A 72 0.249 7.777 8.524 1.00 0.00 N ATOM 1054 CZ ARG A 72 -0.602 6.817 8.937 1.00 0.00 C ATOM 1055 NH1 ARG A 72 -0.197 5.810 9.711 1.00 0.00 N ATOM 1056 NH2 ARG A 72 -1.883 6.834 8.590 1.00 0.00 N ATOM 0 H ARG A 72 3.747 6.264 6.129 1.00 0.00 H new ATOM 0 HA ARG A 72 1.950 8.416 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.812 7.048 7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.187 8.136 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.038 9.659 8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.800 9.746 7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.909 7.477 9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.025 8.961 10.083 1.00 0.00 H new ATOM 0 HE ARG A 72 0.091 8.175 7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.778 5.753 10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.862 5.097 10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.241 7.584 7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.509 6.097 8.914 1.00 0.00 H new ATOM 1070 N ASP A 73 5.152 9.187 5.729 1.00 0.00 N ATOM 1071 CA ASP A 73 6.225 10.133 5.499 1.00 0.00 C ATOM 1072 C ASP A 73 6.293 10.612 4.061 1.00 0.00 C ATOM 1073 O ASP A 73 6.354 11.827 3.843 1.00 0.00 O ATOM 1074 CB ASP A 73 7.505 9.390 5.892 1.00 0.00 C ATOM 1075 CG ASP A 73 8.767 10.036 5.353 1.00 0.00 C ATOM 1076 OD1 ASP A 73 9.086 11.155 5.803 1.00 0.00 O ATOM 1077 OD2 ASP A 73 9.362 9.425 4.440 1.00 0.00 O ATOM 0 H ASP A 73 5.502 8.335 6.167 1.00 0.00 H new ATOM 0 HA ASP A 73 6.071 11.039 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.568 9.339 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.447 8.364 5.528 1.00 0.00 H new ATOM 1082 N PHE A 74 6.303 9.652 3.129 1.00 0.00 N ATOM 1083 CA PHE A 74 6.467 9.838 1.689 1.00 0.00 C ATOM 1084 C PHE A 74 5.874 11.145 1.174 1.00 0.00 C ATOM 1085 O PHE A 74 6.517 11.862 0.414 1.00 0.00 O ATOM 1086 CB PHE A 74 5.868 8.656 0.926 1.00 0.00 C ATOM 1087 CG PHE A 74 6.866 7.833 0.141 1.00 0.00 C ATOM 1088 CD1 PHE A 74 7.397 8.348 -1.054 1.00 0.00 C ATOM 1089 CD2 PHE A 74 7.183 6.522 0.535 1.00 0.00 C ATOM 1090 CE1 PHE A 74 8.290 7.578 -1.817 1.00 0.00 C ATOM 1091 CE2 PHE A 74 8.155 5.794 -0.172 1.00 0.00 C ATOM 1092 CZ PHE A 74 8.735 6.337 -1.330 1.00 0.00 C ATOM 0 H PHE A 74 6.190 8.669 3.378 1.00 0.00 H new ATOM 0 HA PHE A 74 7.541 9.890 1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.360 8.004 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.109 9.032 0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.118 9.337 -1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.680 6.075 1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.634 7.939 -2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.456 4.817 0.175 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.520 5.803 -1.844 1.00 0.00 H new ATOM 1102 N PHE A 75 4.625 11.402 1.555 1.00 0.00 N ATOM 1103 CA PHE A 75 3.828 12.478 0.996 1.00 0.00 C ATOM 1104 C PHE A 75 3.520 13.553 2.035 1.00 0.00 C ATOM 1105 O PHE A 75 2.810 14.503 1.716 1.00 0.00 O ATOM 1106 CB PHE A 75 2.540 11.884 0.420 1.00 0.00 C ATOM 1107 CG PHE A 75 2.712 10.529 -0.246 1.00 0.00 C ATOM 1108 CD1 PHE A 75 3.289 10.445 -1.527 1.00 0.00 C ATOM 1109 CD2 PHE A 75 2.418 9.349 0.464 1.00 0.00 C ATOM 1110 CE1 PHE A 75 3.531 9.187 -2.107 1.00 0.00 C ATOM 1111 CE2 PHE A 75 2.611 8.094 -0.136 1.00 0.00 C ATOM 1112 CZ PHE A 75 3.175 8.014 -1.419 1.00 0.00 C ATOM 0 H PHE A 75 4.137 10.860 2.269 1.00 0.00 H new ATOM 0 HA PHE A 75 4.395 12.967 0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.808 11.790 1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.127 12.582 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.546 11.346 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.042 9.409 1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.991 9.122 -3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.326 7.193 0.388 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.336 7.050 -1.878 1.00 0.00 H new ATOM 1122 N LYS A 76 3.980 13.404 3.287 1.00 0.00 N ATOM 1123 CA LYS A 76 3.600 14.353 4.330 1.00 0.00 C ATOM 1124 C LYS A 76 4.425 15.638 4.225 1.00 0.00 C ATOM 1125 O LYS A 76 3.915 16.714 4.529 1.00 0.00 O ATOM 1126 CB LYS A 76 3.671 13.701 5.723 1.00 0.00 C ATOM 1127 CG LYS A 76 2.311 13.659 6.449 1.00 0.00 C ATOM 1128 CD LYS A 76 1.492 12.387 6.178 1.00 0.00 C ATOM 1129 CE LYS A 76 0.923 12.253 4.756 1.00 0.00 C ATOM 1130 NZ LYS A 76 0.761 10.840 4.377 1.00 0.00 N ATOM 0 H LYS A 76 4.600 12.653 3.591 1.00 0.00 H new ATOM 0 HA LYS A 76 2.559 14.641 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.052 12.685 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.386 14.249 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.482 13.746 7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.724 14.527 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.122 11.521 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.664 12.352 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.040 12.760 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.587 12.748 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.072 10.765 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.676 10.457 4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.420 10.298 5.196 1.00 0.00 H new ATOM 1144 N LYS A 77 5.692 15.532 3.816 1.00 0.00 N ATOM 1145 CA LYS A 77 6.592 16.623 3.549 1.00 0.00 C ATOM 1146 C LYS A 77 7.750 16.038 2.749 1.00 0.00 C ATOM 1147 O LYS A 77 7.905 14.796 2.845 1.00 0.00 O ATOM 1148 CB LYS A 77 7.074 17.260 4.856 1.00 0.00 C ATOM 1149 CG LYS A 77 8.114 16.475 5.675 1.00 0.00 C ATOM 1150 CD LYS A 77 7.524 15.286 6.450 1.00 0.00 C ATOM 1151 CE LYS A 77 8.362 14.013 6.293 1.00 0.00 C ATOM 1152 NZ LYS A 77 8.279 13.411 4.945 1.00 0.00 N ATOM 1153 OXT LYS A 77 8.490 16.822 2.121 1.00 0.00 O ATOM 0 H LYS A 77 6.128 14.624 3.658 1.00 0.00 H new ATOM 0 HA LYS A 77 6.101 17.417 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.496 18.237 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.204 17.432 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.891 16.109 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.595 17.153 6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.454 15.543 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.509 15.095 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.404 14.244 6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.035 13.280 7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.908 12.584 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.300 13.113 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.570 14.111 4.233 1.00 0.00 H new