USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 621 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 Single : A 1 MET CE :methyl 157:sc= -0.0385 (180deg=-0.532) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.489 (180deg=-0.618) USER MOD Single : A 2 MET CE :methyl 176:sc=-0.00306 (180deg=-0.0285) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.97 K(o=-2,f=-2.9) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0651 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.95 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot -163:sc= -3.09! USER MOD Single : A 15 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.83 X(o=-3.8,f=-3.4) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.018) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 163:sc= -0.032 (180deg=-0.386) USER MOD Single : A 42 GLN : amide:sc= 0.0845 K(o=0.084,f=-2.4) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -161:sc= -0.0296 (180deg=-0.322) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 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 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.832 -10.338 -8.449 1.00 0.00 N ATOM 2 CA MET A 1 5.301 -8.932 -8.344 1.00 0.00 C ATOM 3 C MET A 1 4.130 -7.959 -8.324 1.00 0.00 C ATOM 4 O MET A 1 3.856 -7.286 -9.318 1.00 0.00 O ATOM 5 CB MET A 1 6.216 -8.636 -9.533 1.00 0.00 C ATOM 6 CG MET A 1 7.584 -9.289 -9.425 1.00 0.00 C ATOM 7 SD MET A 1 8.129 -10.026 -10.978 1.00 0.00 S ATOM 8 CE MET A 1 7.920 -8.644 -12.100 1.00 0.00 C ATOM 0 H1 MET A 1 5.537 -10.901 -8.966 1.00 0.00 H new ATOM 0 H2 MET A 1 4.704 -10.733 -7.496 1.00 0.00 H new ATOM 0 H3 MET A 1 3.926 -10.365 -8.959 1.00 0.00 H new ATOM 0 HA MET A 1 5.846 -8.805 -7.409 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.731 -8.977 -10.448 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.344 -7.557 -9.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.313 -8.544 -9.106 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.555 -10.058 -8.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.566 -8.779 -12.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.881 -8.593 -12.425 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.186 -7.718 -11.590 1.00 0.00 H new ATOM 20 N MET A 2 3.440 -7.879 -7.187 1.00 0.00 N ATOM 21 CA MET A 2 2.309 -6.971 -7.067 1.00 0.00 C ATOM 22 C MET A 2 2.787 -5.524 -6.971 1.00 0.00 C ATOM 23 O MET A 2 3.454 -5.141 -6.012 1.00 0.00 O ATOM 24 CB MET A 2 1.461 -7.334 -5.845 1.00 0.00 C ATOM 25 CG MET A 2 0.120 -7.955 -6.201 1.00 0.00 C ATOM 26 SD MET A 2 0.289 -9.562 -7.000 1.00 0.00 S ATOM 27 CE MET A 2 -0.431 -9.220 -8.604 1.00 0.00 C ATOM 0 H MET A 2 3.643 -8.425 -6.349 1.00 0.00 H new ATOM 0 HA MET A 2 1.693 -7.070 -7.961 1.00 0.00 H new ATOM 0 HB2 MET A 2 2.020 -8.029 -5.218 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.291 -6.436 -5.251 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.477 -8.065 -5.296 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.424 -7.280 -6.862 1.00 0.00 H new ATOM 0 HE1 MET A 2 -0.336 -10.100 -9.241 1.00 0.00 H new ATOM 0 HE2 MET A 2 -1.485 -8.972 -8.484 1.00 0.00 H new ATOM 0 HE3 MET A 2 0.089 -8.380 -9.065 1.00 0.00 H new ATOM 37 N LYS A 3 2.441 -4.723 -7.971 1.00 0.00 N ATOM 38 CA LYS A 3 2.834 -3.317 -7.991 1.00 0.00 C ATOM 39 C LYS A 3 2.090 -2.553 -6.903 1.00 0.00 C ATOM 40 O LYS A 3 0.889 -2.311 -7.010 1.00 0.00 O ATOM 41 CB LYS A 3 2.541 -2.701 -9.360 1.00 0.00 C ATOM 42 CG LYS A 3 3.612 -2.991 -10.398 1.00 0.00 C ATOM 43 CD LYS A 3 3.120 -3.976 -11.448 1.00 0.00 C ATOM 44 CE LYS A 3 2.253 -3.290 -12.492 1.00 0.00 C ATOM 45 NZ LYS A 3 2.501 -3.824 -13.858 1.00 0.00 N ATOM 0 H LYS A 3 1.891 -5.020 -8.777 1.00 0.00 H new ATOM 0 HA LYS A 3 3.905 -3.251 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.584 -3.078 -9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.437 -1.622 -9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.912 -2.062 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.497 -3.394 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.974 -4.447 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.550 -4.770 -10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.202 -3.424 -12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.450 -2.218 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.891 -3.330 -14.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.498 -3.674 -14.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.288 -4.842 -13.877 1.00 0.00 H new ATOM 59 N ILE A 4 2.810 -2.199 -5.845 1.00 0.00 N ATOM 60 CA ILE A 4 2.218 -1.486 -4.720 1.00 0.00 C ATOM 61 C ILE A 4 2.922 -0.158 -4.459 1.00 0.00 C ATOM 62 O ILE A 4 4.138 -0.112 -4.276 1.00 0.00 O ATOM 63 CB ILE A 4 2.264 -2.358 -3.450 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.726 -3.760 -3.770 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.484 -1.700 -2.322 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.292 -4.566 -2.562 1.00 0.00 C ATOM 0 H ILE A 4 3.806 -2.394 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 4 1.181 -1.273 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 4 3.296 -2.457 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.878 -3.662 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.497 -4.317 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.528 -2.330 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.920 -0.726 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.445 -1.571 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.927 -5.540 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.140 -4.701 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.496 -4.037 -2.038 1.00 0.00 H new ATOM 78 N GLN A 5 2.146 0.924 -4.449 1.00 0.00 N ATOM 79 CA GLN A 5 2.694 2.261 -4.212 1.00 0.00 C ATOM 80 C GLN A 5 2.239 2.803 -2.859 1.00 0.00 C ATOM 81 O GLN A 5 1.081 2.637 -2.477 1.00 0.00 O ATOM 82 CB GLN A 5 2.268 3.225 -5.328 1.00 0.00 C ATOM 83 CG GLN A 5 1.850 2.539 -6.621 1.00 0.00 C ATOM 84 CD GLN A 5 2.884 1.548 -7.119 1.00 0.00 C ATOM 85 OE1 GLN A 5 4.054 1.608 -6.739 1.00 0.00 O ATOM 86 NE2 GLN A 5 2.456 0.628 -7.976 1.00 0.00 N ATOM 0 H GLN A 5 1.138 0.903 -4.602 1.00 0.00 H new ATOM 0 HA GLN A 5 3.781 2.181 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.439 3.834 -4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.094 3.904 -5.541 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.904 2.022 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.677 3.294 -7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.478 0.615 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.106 -0.066 -8.346 1.00 0.00 H new ATOM 95 N ILE A 6 3.153 3.452 -2.139 1.00 0.00 N ATOM 96 CA ILE A 6 2.834 4.014 -0.828 1.00 0.00 C ATOM 97 C ILE A 6 2.913 5.539 -0.847 1.00 0.00 C ATOM 98 O ILE A 6 4.003 6.111 -0.858 1.00 0.00 O ATOM 99 CB ILE A 6 3.784 3.474 0.256 1.00 0.00 C ATOM 100 CG1 ILE A 6 3.923 1.955 0.133 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.281 3.854 1.639 1.00 0.00 C ATOM 102 CD1 ILE A 6 4.994 1.372 1.027 1.00 0.00 C ATOM 0 H ILE A 6 4.116 3.601 -2.440 1.00 0.00 H new ATOM 0 HA ILE A 6 1.814 3.711 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 6 4.767 3.923 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.967 1.490 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.148 1.702 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.964 3.465 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.229 4.940 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.289 3.431 1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.036 0.292 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.959 1.809 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.760 1.594 2.068 1.00 0.00 H new ATOM 114 N TYR A 7 1.752 6.194 -0.858 1.00 0.00 N ATOM 115 CA TYR A 7 1.696 7.652 -0.888 1.00 0.00 C ATOM 116 C TYR A 7 1.609 8.233 0.517 1.00 0.00 C ATOM 117 O TYR A 7 0.588 8.111 1.190 1.00 0.00 O ATOM 118 CB TYR A 7 0.505 8.105 -1.739 1.00 0.00 C ATOM 119 CG TYR A 7 0.608 7.641 -3.179 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.264 8.396 -4.146 1.00 0.00 C ATOM 121 CD2 TYR A 7 0.075 6.420 -3.561 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.378 7.946 -5.445 1.00 0.00 C ATOM 123 CE2 TYR A 7 0.181 5.965 -4.858 1.00 0.00 C ATOM 124 CZ TYR A 7 0.835 6.730 -5.798 1.00 0.00 C ATOM 125 OH TYR A 7 0.947 6.279 -7.093 1.00 0.00 O ATOM 0 H TYR A 7 0.840 5.737 -0.847 1.00 0.00 H new ATOM 0 HA TYR A 7 2.617 8.024 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.416 7.720 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.439 9.193 -1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.691 9.350 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.434 5.812 -2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.891 8.545 -6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.247 5.013 -5.136 1.00 0.00 H new ATOM 0 HH TYR A 7 0.511 5.405 -7.174 1.00 0.00 H new ATOM 135 N GLY A 8 2.697 8.865 0.955 1.00 0.00 N ATOM 136 CA GLY A 8 2.727 9.458 2.280 1.00 0.00 C ATOM 137 C GLY A 8 4.005 9.144 3.032 1.00 0.00 C ATOM 138 O GLY A 8 4.594 10.025 3.658 1.00 0.00 O ATOM 0 H GLY A 8 3.556 8.976 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.618 10.539 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.874 9.097 2.855 1.00 0.00 H new ATOM 142 N THR A 9 4.431 7.885 2.969 1.00 0.00 N ATOM 143 CA THR A 9 5.648 7.441 3.647 1.00 0.00 C ATOM 144 C THR A 9 5.640 7.815 5.130 1.00 0.00 C ATOM 145 O THR A 9 5.242 7.012 5.975 1.00 0.00 O ATOM 146 CB THR A 9 6.913 8.017 2.979 1.00 0.00 C ATOM 147 OG1 THR A 9 6.892 9.449 3.029 1.00 0.00 O ATOM 148 CG2 THR A 9 7.013 7.557 1.533 1.00 0.00 C ATOM 0 H THR A 9 3.949 7.150 2.452 1.00 0.00 H new ATOM 0 HA THR A 9 5.668 6.355 3.561 1.00 0.00 H new ATOM 0 HB THR A 9 7.783 7.651 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.700 9.803 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.912 7.974 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.062 6.469 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.137 7.898 0.981 1.00 0.00 H new ATOM 156 N GLY A 10 6.082 9.030 5.444 1.00 0.00 N ATOM 157 CA GLY A 10 6.117 9.473 6.827 1.00 0.00 C ATOM 158 C GLY A 10 4.881 10.256 7.222 1.00 0.00 C ATOM 159 O GLY A 10 4.233 9.943 8.222 1.00 0.00 O ATOM 0 H GLY A 10 6.416 9.715 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.217 8.606 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.000 10.093 6.983 1.00 0.00 H new ATOM 163 N CYS A 11 4.553 11.279 6.439 1.00 0.00 N ATOM 164 CA CYS A 11 3.387 12.113 6.714 1.00 0.00 C ATOM 165 C CYS A 11 2.129 11.263 6.875 1.00 0.00 C ATOM 166 O CYS A 11 1.183 11.661 7.555 1.00 0.00 O ATOM 167 CB CYS A 11 3.186 13.129 5.589 1.00 0.00 C ATOM 168 SG CYS A 11 4.172 14.634 5.769 1.00 0.00 S ATOM 0 H CYS A 11 5.078 11.551 5.608 1.00 0.00 H new ATOM 0 HA CYS A 11 3.566 12.643 7.650 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.434 12.656 4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.132 13.401 5.544 1.00 0.00 H new ATOM 0 HG CYS A 11 3.935 15.430 4.769 1.00 0.00 H new ATOM 174 N ALA A 12 2.123 10.092 6.246 1.00 0.00 N ATOM 175 CA ALA A 12 0.981 9.191 6.320 1.00 0.00 C ATOM 176 C ALA A 12 1.324 7.931 7.111 1.00 0.00 C ATOM 177 O ALA A 12 2.460 7.459 7.085 1.00 0.00 O ATOM 178 CB ALA A 12 0.508 8.829 4.920 1.00 0.00 C ATOM 0 H ALA A 12 2.897 9.746 5.679 1.00 0.00 H new ATOM 0 HA ALA A 12 0.175 9.705 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.346 8.155 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.214 9.735 4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.316 8.337 4.379 1.00 0.00 H new ATOM 184 N ASN A 13 0.331 7.390 7.814 1.00 0.00 N ATOM 185 CA ASN A 13 0.519 6.182 8.617 1.00 0.00 C ATOM 186 C ASN A 13 0.569 4.920 7.750 1.00 0.00 C ATOM 187 O ASN A 13 0.439 3.807 8.260 1.00 0.00 O ATOM 188 CB ASN A 13 -0.602 6.056 9.649 1.00 0.00 C ATOM 189 CG ASN A 13 -0.755 7.308 10.491 1.00 0.00 C ATOM 190 OD1 ASN A 13 -1.605 8.155 10.216 1.00 0.00 O ATOM 191 ND2 ASN A 13 0.070 7.431 11.524 1.00 0.00 N ATOM 0 H ASN A 13 -0.615 7.770 7.844 1.00 0.00 H new ATOM 0 HA ASN A 13 1.478 6.275 9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.542 5.848 9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.399 5.206 10.300 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.014 8.252 12.126 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.760 6.704 11.715 1.00 0.00 H new ATOM 198 N CYS A 14 0.756 5.093 6.444 1.00 0.00 N ATOM 199 CA CYS A 14 0.817 3.959 5.519 1.00 0.00 C ATOM 200 C CYS A 14 1.918 2.973 5.913 1.00 0.00 C ATOM 201 O CYS A 14 1.898 1.812 5.504 1.00 0.00 O ATOM 202 CB CYS A 14 1.053 4.448 4.085 1.00 0.00 C ATOM 203 SG CYS A 14 2.293 5.757 3.941 1.00 0.00 S ATOM 0 H CYS A 14 0.868 6.005 6.001 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.141 3.442 5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.362 3.602 3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.109 4.811 3.677 1.00 0.00 H new ATOM 0 HG CYS A 14 2.172 6.345 2.788 1.00 0.00 H new ATOM 209 N GLN A 15 2.875 3.441 6.708 1.00 0.00 N ATOM 210 CA GLN A 15 3.986 2.613 7.161 1.00 0.00 C ATOM 211 C GLN A 15 3.495 1.271 7.710 1.00 0.00 C ATOM 212 O GLN A 15 4.181 0.253 7.593 1.00 0.00 O ATOM 213 CB GLN A 15 4.777 3.392 8.218 1.00 0.00 C ATOM 214 CG GLN A 15 4.599 2.889 9.645 1.00 0.00 C ATOM 215 CD GLN A 15 5.416 3.678 10.648 1.00 0.00 C ATOM 216 OE1 GLN A 15 6.181 3.111 11.428 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.255 4.997 10.635 1.00 0.00 N ATOM 0 H GLN A 15 2.902 4.400 7.055 1.00 0.00 H new ATOM 0 HA GLN A 15 4.636 2.384 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.836 3.352 7.962 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.479 4.440 8.177 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.545 2.945 9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.886 1.839 9.694 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.610 5.426 9.971 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.776 5.581 11.289 1.00 0.00 H new ATOM 226 N MET A 16 2.306 1.273 8.305 1.00 0.00 N ATOM 227 CA MET A 16 1.733 0.055 8.865 1.00 0.00 C ATOM 228 C MET A 16 1.481 -0.971 7.768 1.00 0.00 C ATOM 229 O MET A 16 2.069 -2.053 7.771 1.00 0.00 O ATOM 230 CB MET A 16 0.427 0.368 9.599 1.00 0.00 C ATOM 231 CG MET A 16 0.630 0.791 11.045 1.00 0.00 C ATOM 232 SD MET A 16 -0.716 0.257 12.119 1.00 0.00 S ATOM 233 CE MET A 16 -0.077 0.731 13.723 1.00 0.00 C ATOM 0 H MET A 16 1.722 2.103 8.411 1.00 0.00 H new ATOM 0 HA MET A 16 2.446 -0.362 9.577 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.098 1.161 9.067 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.215 -0.512 9.573 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.569 0.377 11.412 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.720 1.876 11.093 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.799 0.465 14.495 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.862 0.210 13.909 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.095 1.807 13.742 1.00 0.00 H new ATOM 243 N LEU A 17 0.616 -0.622 6.822 1.00 0.00 N ATOM 244 CA LEU A 17 0.305 -1.514 5.712 1.00 0.00 C ATOM 245 C LEU A 17 1.542 -1.754 4.852 1.00 0.00 C ATOM 246 O LEU A 17 1.608 -2.724 4.102 1.00 0.00 O ATOM 247 CB LEU A 17 -0.819 -0.934 4.854 1.00 0.00 C ATOM 248 CG LEU A 17 -1.489 -1.932 3.904 1.00 0.00 C ATOM 249 CD1 LEU A 17 -2.995 -1.722 3.877 1.00 0.00 C ATOM 250 CD2 LEU A 17 -0.906 -1.806 2.504 1.00 0.00 C ATOM 0 H LEU A 17 0.120 0.269 6.802 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.025 -2.466 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.580 -0.516 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.418 -0.109 4.266 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.293 -2.939 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.450 -2.441 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.400 -1.864 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.215 -0.710 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.393 -2.522 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.071 -0.795 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.164 -2.011 2.536 1.00 0.00 H new ATOM 262 N GLU A 18 2.522 -0.860 4.966 1.00 0.00 N ATOM 263 CA GLU A 18 3.762 -0.991 4.184 1.00 0.00 C ATOM 264 C GLU A 18 4.457 -2.312 4.499 1.00 0.00 C ATOM 265 O GLU A 18 4.764 -3.093 3.598 1.00 0.00 O ATOM 266 CB GLU A 18 4.743 0.174 4.432 1.00 0.00 C ATOM 267 CG GLU A 18 6.036 0.045 3.640 1.00 0.00 C ATOM 268 CD GLU A 18 6.775 1.363 3.509 1.00 0.00 C ATOM 269 OE1 GLU A 18 6.555 2.253 4.358 1.00 0.00 O ATOM 270 OE2 GLU A 18 7.573 1.503 2.559 1.00 0.00 O ATOM 0 H GLU A 18 2.489 -0.047 5.581 1.00 0.00 H new ATOM 0 HA GLU A 18 3.471 -0.965 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.256 1.113 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.979 0.223 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.684 -0.684 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.812 -0.342 2.646 1.00 0.00 H new ATOM 277 N LYS A 19 4.710 -2.554 5.781 1.00 0.00 N ATOM 278 CA LYS A 19 5.376 -3.780 6.210 1.00 0.00 C ATOM 279 C LYS A 19 4.453 -4.988 6.074 1.00 0.00 C ATOM 280 O LYS A 19 4.883 -6.068 5.670 1.00 0.00 O ATOM 281 CB LYS A 19 5.851 -3.648 7.658 1.00 0.00 C ATOM 282 CG LYS A 19 7.029 -4.546 7.995 1.00 0.00 C ATOM 283 CD LYS A 19 7.699 -4.124 9.293 1.00 0.00 C ATOM 284 CE LYS A 19 8.210 -5.325 10.072 1.00 0.00 C ATOM 285 NZ LYS A 19 7.226 -5.786 11.090 1.00 0.00 N ATOM 0 H LYS A 19 4.465 -1.919 6.540 1.00 0.00 H new ATOM 0 HA LYS A 19 6.239 -3.935 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.129 -2.611 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.023 -3.883 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.689 -5.578 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.755 -4.515 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.528 -3.452 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.990 -3.567 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.427 -6.140 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.147 -5.066 10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.612 -6.606 11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.038 -5.017 11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.340 -6.057 10.618 1.00 0.00 H new ATOM 299 N ASN A 20 3.184 -4.800 6.421 1.00 0.00 N ATOM 300 CA ASN A 20 2.200 -5.878 6.345 1.00 0.00 C ATOM 301 C ASN A 20 1.981 -6.325 4.901 1.00 0.00 C ATOM 302 O ASN A 20 1.869 -7.519 4.621 1.00 0.00 O ATOM 303 CB ASN A 20 0.867 -5.433 6.956 1.00 0.00 C ATOM 304 CG ASN A 20 1.051 -4.632 8.232 1.00 0.00 C ATOM 305 OD1 ASN A 20 1.980 -4.874 9.002 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.163 -3.672 8.460 1.00 0.00 N ATOM 0 H ASN A 20 2.811 -3.912 6.758 1.00 0.00 H new ATOM 0 HA ASN A 20 2.590 -6.722 6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.321 -4.832 6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.257 -6.311 7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.235 -3.100 9.301 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.591 -3.506 7.794 1.00 0.00 H new ATOM 313 N ALA A 21 1.910 -5.360 3.992 1.00 0.00 N ATOM 314 CA ALA A 21 1.693 -5.654 2.581 1.00 0.00 C ATOM 315 C ALA A 21 2.833 -6.483 1.992 1.00 0.00 C ATOM 316 O ALA A 21 2.594 -7.456 1.280 1.00 0.00 O ATOM 317 CB ALA A 21 1.520 -4.362 1.797 1.00 0.00 C ATOM 0 H ALA A 21 2.000 -4.367 4.207 1.00 0.00 H new ATOM 0 HA ALA A 21 0.782 -6.247 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.359 -4.594 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.661 -3.814 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.417 -3.751 1.900 1.00 0.00 H new ATOM 323 N ARG A 22 4.070 -6.093 2.282 1.00 0.00 N ATOM 324 CA ARG A 22 5.234 -6.807 1.766 1.00 0.00 C ATOM 325 C ARG A 22 5.208 -8.277 2.177 1.00 0.00 C ATOM 326 O ARG A 22 5.515 -9.159 1.373 1.00 0.00 O ATOM 327 CB ARG A 22 6.526 -6.145 2.262 1.00 0.00 C ATOM 328 CG ARG A 22 7.470 -5.739 1.140 1.00 0.00 C ATOM 329 CD ARG A 22 8.884 -6.240 1.388 1.00 0.00 C ATOM 330 NE ARG A 22 9.862 -5.555 0.546 1.00 0.00 N ATOM 331 CZ ARG A 22 10.007 -5.784 -0.757 1.00 0.00 C ATOM 332 NH1 ARG A 22 9.242 -6.679 -1.371 1.00 0.00 N ATOM 333 NH2 ARG A 22 10.919 -5.116 -1.449 1.00 0.00 N ATOM 0 H ARG A 22 4.293 -5.289 2.869 1.00 0.00 H new ATOM 0 HA ARG A 22 5.202 -6.758 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.271 -5.262 2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.044 -6.833 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.103 -6.137 0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.479 -4.653 1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.142 -6.093 2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.928 -7.312 1.196 1.00 0.00 H new ATOM 0 HE ARG A 22 10.469 -4.861 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.538 -7.196 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.358 -6.850 -2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.509 -4.427 -0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.031 -5.291 -2.448 1.00 0.00 H new ATOM 347 N GLU A 23 4.850 -8.537 3.428 1.00 0.00 N ATOM 348 CA GLU A 23 4.797 -9.904 3.934 1.00 0.00 C ATOM 349 C GLU A 23 3.588 -10.654 3.381 1.00 0.00 C ATOM 350 O GLU A 23 3.720 -11.773 2.891 1.00 0.00 O ATOM 351 CB GLU A 23 4.766 -9.911 5.465 1.00 0.00 C ATOM 352 CG GLU A 23 3.622 -9.109 6.065 1.00 0.00 C ATOM 353 CD GLU A 23 3.647 -9.103 7.581 1.00 0.00 C ATOM 354 OE1 GLU A 23 4.743 -8.936 8.155 1.00 0.00 O ATOM 355 OE2 GLU A 23 2.571 -9.267 8.193 1.00 0.00 O ATOM 0 H GLU A 23 4.593 -7.823 4.109 1.00 0.00 H new ATOM 0 HA GLU A 23 5.698 -10.416 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.694 -10.942 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.710 -9.514 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.672 -8.083 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.674 -9.523 5.722 1.00 0.00 H new ATOM 362 N ALA A 24 2.413 -10.039 3.465 1.00 0.00 N ATOM 363 CA ALA A 24 1.185 -10.663 2.978 1.00 0.00 C ATOM 364 C ALA A 24 1.224 -10.890 1.472 1.00 0.00 C ATOM 365 O ALA A 24 0.945 -11.990 0.998 1.00 0.00 O ATOM 366 CB ALA A 24 -0.022 -9.818 3.355 1.00 0.00 C ATOM 0 H ALA A 24 2.284 -9.110 3.865 1.00 0.00 H new ATOM 0 HA ALA A 24 1.100 -11.639 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.930 -10.295 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.076 -9.725 4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.074 -8.828 2.910 1.00 0.00 H new ATOM 372 N VAL A 25 1.565 -9.850 0.718 1.00 0.00 N ATOM 373 CA VAL A 25 1.629 -9.962 -0.734 1.00 0.00 C ATOM 374 C VAL A 25 2.530 -11.133 -1.139 1.00 0.00 C ATOM 375 O VAL A 25 2.114 -12.012 -1.892 1.00 0.00 O ATOM 376 CB VAL A 25 2.111 -8.632 -1.389 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.618 -8.452 -1.269 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.671 -8.573 -2.842 1.00 0.00 C ATOM 0 H VAL A 25 1.799 -8.928 1.085 1.00 0.00 H new ATOM 0 HA VAL A 25 0.622 -10.157 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 25 1.648 -7.807 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.911 -7.513 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.900 -8.435 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.124 -9.279 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.014 -7.639 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.100 -9.414 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.583 -8.623 -2.895 1.00 0.00 H new ATOM 388 N LYS A 26 3.750 -11.152 -0.616 1.00 0.00 N ATOM 389 CA LYS A 26 4.693 -12.228 -0.901 1.00 0.00 C ATOM 390 C LYS A 26 4.223 -13.542 -0.271 1.00 0.00 C ATOM 391 O LYS A 26 4.317 -14.604 -0.887 1.00 0.00 O ATOM 392 CB LYS A 26 6.089 -11.867 -0.377 1.00 0.00 C ATOM 393 CG LYS A 26 7.200 -12.113 -1.383 1.00 0.00 C ATOM 394 CD LYS A 26 8.427 -12.723 -0.724 1.00 0.00 C ATOM 395 CE LYS A 26 9.084 -11.749 0.241 1.00 0.00 C ATOM 396 NZ LYS A 26 9.809 -10.663 -0.474 1.00 0.00 N ATOM 0 H LYS A 26 4.111 -10.432 0.010 1.00 0.00 H new ATOM 0 HA LYS A 26 4.743 -12.359 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.099 -10.816 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.291 -12.447 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.840 -12.778 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.473 -11.173 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.142 -13.629 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.144 -13.017 -1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.324 -11.313 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.780 -12.288 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.299 -10.059 0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.505 -11.080 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.130 -10.090 -1.014 1.00 0.00 H new ATOM 410 N GLU A 27 3.723 -13.464 0.964 1.00 0.00 N ATOM 411 CA GLU A 27 3.246 -14.648 1.679 1.00 0.00 C ATOM 412 C GLU A 27 2.074 -15.304 0.952 1.00 0.00 C ATOM 413 O GLU A 27 2.025 -16.527 0.818 1.00 0.00 O ATOM 414 CB GLU A 27 2.833 -14.286 3.107 1.00 0.00 C ATOM 415 CG GLU A 27 2.333 -15.470 3.918 1.00 0.00 C ATOM 416 CD GLU A 27 3.372 -15.991 4.892 1.00 0.00 C ATOM 417 OE1 GLU A 27 4.493 -16.315 4.446 1.00 0.00 O ATOM 418 OE2 GLU A 27 3.066 -16.074 6.100 1.00 0.00 O ATOM 0 H GLU A 27 3.638 -12.594 1.489 1.00 0.00 H new ATOM 0 HA GLU A 27 4.069 -15.361 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.685 -13.840 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.051 -13.528 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.439 -15.177 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.041 -16.272 3.240 1.00 0.00 H new ATOM 425 N LEU A 28 1.130 -14.490 0.481 1.00 0.00 N ATOM 426 CA LEU A 28 -0.036 -15.004 -0.233 1.00 0.00 C ATOM 427 C LEU A 28 0.384 -15.932 -1.373 1.00 0.00 C ATOM 428 O LEU A 28 -0.413 -16.735 -1.858 1.00 0.00 O ATOM 429 CB LEU A 28 -0.885 -13.845 -0.772 1.00 0.00 C ATOM 430 CG LEU A 28 -0.503 -13.337 -2.166 1.00 0.00 C ATOM 431 CD1 LEU A 28 -1.261 -14.103 -3.241 1.00 0.00 C ATOM 432 CD2 LEU A 28 -0.770 -11.842 -2.281 1.00 0.00 C ATOM 0 H LEU A 28 1.150 -13.475 0.581 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.636 -15.582 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.928 -14.161 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.819 -13.013 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 28 0.563 -13.507 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.976 -13.728 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.017 -15.163 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.333 -13.967 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.493 -11.499 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.829 -11.647 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.179 -11.309 -1.536 1.00 0.00 H new ATOM 444 N GLY A 29 1.640 -15.816 -1.792 1.00 0.00 N ATOM 445 CA GLY A 29 2.145 -16.651 -2.867 1.00 0.00 C ATOM 446 C GLY A 29 2.503 -15.858 -4.108 1.00 0.00 C ATOM 447 O GLY A 29 2.179 -16.262 -5.225 1.00 0.00 O ATOM 0 H GLY A 29 2.318 -15.158 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.026 -17.190 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.395 -17.399 -3.123 1.00 0.00 H new ATOM 451 N ILE A 30 3.185 -14.734 -3.911 1.00 0.00 N ATOM 452 CA ILE A 30 3.604 -13.885 -5.021 1.00 0.00 C ATOM 453 C ILE A 30 4.277 -12.615 -4.518 1.00 0.00 C ATOM 454 O ILE A 30 3.688 -11.832 -3.773 1.00 0.00 O ATOM 455 CB ILE A 30 2.422 -13.512 -5.936 1.00 0.00 C ATOM 456 CG1 ILE A 30 2.854 -12.488 -6.990 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.253 -12.983 -5.115 1.00 0.00 C ATOM 458 CD1 ILE A 30 2.286 -12.759 -8.366 1.00 0.00 C ATOM 0 H ILE A 30 3.460 -14.389 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 30 4.321 -14.464 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 30 2.094 -14.413 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.544 -11.494 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.942 -12.478 -7.051 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.429 -12.725 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.926 -13.749 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.567 -12.096 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.634 -11.994 -9.060 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.617 -13.739 -8.710 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.197 -12.739 -8.321 1.00 0.00 H new ATOM 470 N ASP A 31 5.514 -12.424 -4.944 1.00 0.00 N ATOM 471 CA ASP A 31 6.296 -11.259 -4.561 1.00 0.00 C ATOM 472 C ASP A 31 5.643 -9.981 -5.061 1.00 0.00 C ATOM 473 O ASP A 31 4.773 -10.014 -5.929 1.00 0.00 O ATOM 474 CB ASP A 31 7.719 -11.368 -5.111 1.00 0.00 C ATOM 475 CG ASP A 31 8.752 -10.797 -4.158 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.443 -9.796 -3.478 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.869 -11.351 -4.092 1.00 0.00 O ATOM 0 H ASP A 31 6.004 -13.070 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 31 6.338 -11.223 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.950 -12.415 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.778 -10.843 -6.064 1.00 0.00 H new ATOM 482 N ALA A 32 6.067 -8.857 -4.503 1.00 0.00 N ATOM 483 CA ALA A 32 5.539 -7.568 -4.884 1.00 0.00 C ATOM 484 C ALA A 32 6.595 -6.508 -4.677 1.00 0.00 C ATOM 485 O ALA A 32 7.475 -6.655 -3.828 1.00 0.00 O ATOM 486 CB ALA A 32 4.291 -7.251 -4.081 1.00 0.00 C ATOM 0 H ALA A 32 6.783 -8.819 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 32 5.264 -7.588 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.904 -6.276 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.535 -8.014 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.536 -7.235 -3.019 1.00 0.00 H new ATOM 492 N GLU A 33 6.518 -5.441 -5.450 1.00 0.00 N ATOM 493 CA GLU A 33 7.488 -4.373 -5.328 1.00 0.00 C ATOM 494 C GLU A 33 6.825 -3.118 -4.794 1.00 0.00 C ATOM 495 O GLU A 33 5.912 -2.572 -5.416 1.00 0.00 O ATOM 496 CB GLU A 33 8.153 -4.085 -6.673 1.00 0.00 C ATOM 497 CG GLU A 33 9.078 -5.194 -7.146 1.00 0.00 C ATOM 498 CD GLU A 33 8.332 -6.323 -7.829 1.00 0.00 C ATOM 499 OE1 GLU A 33 7.984 -6.171 -9.018 1.00 0.00 O ATOM 500 OE2 GLU A 33 8.097 -7.361 -7.173 1.00 0.00 O ATOM 0 H GLU A 33 5.802 -5.293 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 33 8.258 -4.692 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.379 -3.924 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.721 -3.158 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.813 -4.780 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.629 -5.591 -6.293 1.00 0.00 H new ATOM 507 N PHE A 34 7.277 -2.669 -3.635 1.00 0.00 N ATOM 508 CA PHE A 34 6.711 -1.484 -3.017 1.00 0.00 C ATOM 509 C PHE A 34 7.596 -0.267 -3.221 1.00 0.00 C ATOM 510 O PHE A 34 8.674 -0.153 -2.635 1.00 0.00 O ATOM 511 CB PHE A 34 6.480 -1.732 -1.530 1.00 0.00 C ATOM 512 CG PHE A 34 5.598 -2.919 -1.271 1.00 0.00 C ATOM 513 CD1 PHE A 34 6.073 -4.208 -1.459 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.290 -2.747 -0.853 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.260 -5.299 -1.234 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.472 -3.834 -0.628 1.00 0.00 C ATOM 517 CZ PHE A 34 3.958 -5.111 -0.817 1.00 0.00 C ATOM 0 H PHE A 34 8.031 -3.106 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 34 5.756 -1.277 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.441 -1.884 -1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.030 -0.845 -1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.091 -4.359 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.905 -1.749 -0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.641 -6.298 -1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.452 -3.686 -0.304 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.320 -5.964 -0.639 1.00 0.00 H new ATOM 527 N GLU A 35 7.117 0.647 -4.053 1.00 0.00 N ATOM 528 CA GLU A 35 7.838 1.876 -4.343 1.00 0.00 C ATOM 529 C GLU A 35 7.178 3.048 -3.629 1.00 0.00 C ATOM 530 O GLU A 35 6.034 3.403 -3.922 1.00 0.00 O ATOM 531 CB GLU A 35 7.876 2.133 -5.850 1.00 0.00 C ATOM 532 CG GLU A 35 9.036 1.447 -6.555 1.00 0.00 C ATOM 533 CD GLU A 35 10.358 2.149 -6.317 1.00 0.00 C ATOM 534 OE1 GLU A 35 10.741 2.313 -5.140 1.00 0.00 O ATOM 535 OE2 GLU A 35 11.012 2.535 -7.309 1.00 0.00 O ATOM 0 H GLU A 35 6.226 0.558 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 35 8.862 1.771 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.940 1.792 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.939 3.207 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.109 0.416 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.836 1.410 -7.626 1.00 0.00 H new ATOM 542 N LYS A 36 7.896 3.638 -2.685 1.00 0.00 N ATOM 543 CA LYS A 36 7.367 4.762 -1.928 1.00 0.00 C ATOM 544 C LYS A 36 7.529 6.062 -2.705 1.00 0.00 C ATOM 545 O LYS A 36 8.557 6.300 -3.338 1.00 0.00 O ATOM 546 CB LYS A 36 8.061 4.872 -0.570 1.00 0.00 C ATOM 547 CG LYS A 36 8.268 3.534 0.124 1.00 0.00 C ATOM 548 CD LYS A 36 9.371 3.614 1.167 1.00 0.00 C ATOM 549 CE LYS A 36 10.246 2.370 1.148 1.00 0.00 C ATOM 550 NZ LYS A 36 11.461 2.532 1.994 1.00 0.00 N ATOM 0 H LYS A 36 8.842 3.359 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 36 6.304 4.586 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.029 5.354 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.470 5.519 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.338 3.221 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.519 2.774 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.985 4.495 0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.930 3.735 2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.669 1.515 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.544 2.152 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.030 1.663 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.025 3.332 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.177 2.715 2.978 1.00 0.00 H new ATOM 564 N ILE A 37 6.501 6.897 -2.647 1.00 0.00 N ATOM 565 CA ILE A 37 6.508 8.180 -3.340 1.00 0.00 C ATOM 566 C ILE A 37 6.733 9.321 -2.357 1.00 0.00 C ATOM 567 O ILE A 37 6.788 9.106 -1.146 1.00 0.00 O ATOM 568 CB ILE A 37 5.176 8.429 -4.075 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.009 7.914 -3.226 1.00 0.00 C ATOM 570 CG2 ILE A 37 5.176 7.782 -5.455 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.506 6.538 -3.623 1.00 0.00 C ATOM 0 H ILE A 37 5.646 6.708 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 37 7.321 8.145 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 37 5.057 9.503 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.319 7.887 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.184 8.623 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.223 7.976 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.985 8.201 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.319 6.706 -5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.681 6.250 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.162 6.561 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.314 5.813 -3.526 1.00 0.00 H new ATOM 583 N LYS A 38 6.844 10.537 -2.878 1.00 0.00 N ATOM 584 CA LYS A 38 7.041 11.708 -2.034 1.00 0.00 C ATOM 585 C LYS A 38 6.661 12.985 -2.777 1.00 0.00 C ATOM 586 O LYS A 38 7.525 13.750 -3.207 1.00 0.00 O ATOM 587 CB LYS A 38 8.493 11.782 -1.560 1.00 0.00 C ATOM 588 CG LYS A 38 9.498 11.926 -2.692 1.00 0.00 C ATOM 589 CD LYS A 38 10.692 11.004 -2.500 1.00 0.00 C ATOM 590 CE LYS A 38 11.565 11.457 -1.340 1.00 0.00 C ATOM 591 NZ LYS A 38 12.848 10.703 -1.284 1.00 0.00 N ATOM 0 H LYS A 38 6.801 10.737 -3.877 1.00 0.00 H new ATOM 0 HA LYS A 38 6.391 11.614 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.601 12.627 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.727 10.882 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.012 11.701 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.840 12.959 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.343 9.988 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.284 10.979 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.774 12.522 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.023 11.322 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.415 11.041 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.650 9.689 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.377 10.852 -2.167 1.00 0.00 H new ATOM 605 N GLU A 39 5.352 13.203 -2.912 1.00 0.00 N ATOM 606 CA GLU A 39 4.808 14.385 -3.597 1.00 0.00 C ATOM 607 C GLU A 39 3.385 14.113 -4.079 1.00 0.00 C ATOM 608 O GLU A 39 3.140 13.119 -4.760 1.00 0.00 O ATOM 609 CB GLU A 39 5.685 14.786 -4.790 1.00 0.00 C ATOM 610 CG GLU A 39 6.589 15.977 -4.508 1.00 0.00 C ATOM 611 CD GLU A 39 6.178 17.216 -5.281 1.00 0.00 C ATOM 612 OE1 GLU A 39 4.991 17.316 -5.656 1.00 0.00 O ATOM 613 OE2 GLU A 39 7.043 18.087 -5.510 1.00 0.00 O ATOM 0 H GLU A 39 4.638 12.570 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 39 4.797 15.207 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.300 13.934 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.043 15.020 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.572 16.197 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.616 15.718 -4.764 1.00 0.00 H new ATOM 620 N MET A 40 2.449 14.999 -3.730 1.00 0.00 N ATOM 621 CA MET A 40 1.056 14.831 -4.138 1.00 0.00 C ATOM 622 C MET A 40 0.945 14.679 -5.647 1.00 0.00 C ATOM 623 O MET A 40 0.033 14.019 -6.141 1.00 0.00 O ATOM 624 CB MET A 40 0.210 16.014 -3.662 1.00 0.00 C ATOM 625 CG MET A 40 -0.562 15.735 -2.383 1.00 0.00 C ATOM 626 SD MET A 40 -1.594 17.126 -1.881 1.00 0.00 S ATOM 627 CE MET A 40 -2.837 17.111 -3.171 1.00 0.00 C ATOM 0 H MET A 40 2.630 15.833 -3.171 1.00 0.00 H new ATOM 0 HA MET A 40 0.678 13.920 -3.673 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.860 16.874 -3.504 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.493 16.287 -4.449 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.189 14.855 -2.526 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.140 15.500 -1.583 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.699 17.696 -2.852 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.422 17.543 -4.081 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.147 16.084 -3.365 1.00 0.00 H new ATOM 637 N ASP A 41 1.886 15.270 -6.381 1.00 0.00 N ATOM 638 CA ASP A 41 1.880 15.159 -7.833 1.00 0.00 C ATOM 639 C ASP A 41 1.770 13.689 -8.214 1.00 0.00 C ATOM 640 O ASP A 41 1.075 13.322 -9.160 1.00 0.00 O ATOM 641 CB ASP A 41 3.151 15.770 -8.428 1.00 0.00 C ATOM 642 CG ASP A 41 2.865 16.630 -9.643 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.435 16.074 -10.676 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.070 17.859 -9.563 1.00 0.00 O ATOM 0 H ASP A 41 2.652 15.823 -5.998 1.00 0.00 H new ATOM 0 HA ASP A 41 1.027 15.707 -8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.651 16.372 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.839 14.972 -8.705 1.00 0.00 H new ATOM 649 N GLN A 42 2.446 12.854 -7.433 1.00 0.00 N ATOM 650 CA GLN A 42 2.418 11.417 -7.632 1.00 0.00 C ATOM 651 C GLN A 42 1.229 10.811 -6.889 1.00 0.00 C ATOM 652 O GLN A 42 0.605 9.862 -7.363 1.00 0.00 O ATOM 653 CB GLN A 42 3.720 10.784 -7.142 1.00 0.00 C ATOM 654 CG GLN A 42 4.940 11.199 -7.947 1.00 0.00 C ATOM 655 CD GLN A 42 6.241 10.908 -7.226 1.00 0.00 C ATOM 656 OE1 GLN A 42 6.319 10.996 -6.000 1.00 0.00 O ATOM 657 NE2 GLN A 42 7.272 10.557 -7.985 1.00 0.00 N ATOM 0 H GLN A 42 3.025 13.156 -6.649 1.00 0.00 H new ATOM 0 HA GLN A 42 2.313 11.214 -8.698 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.875 11.055 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.623 9.699 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.934 10.676 -8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.881 12.265 -8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.163 10.497 -8.997 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.173 10.348 -7.556 1.00 0.00 H new ATOM 666 N ILE A 43 0.928 11.368 -5.713 1.00 0.00 N ATOM 667 CA ILE A 43 -0.176 10.879 -4.894 1.00 0.00 C ATOM 668 C ILE A 43 -1.507 10.974 -5.626 1.00 0.00 C ATOM 669 O ILE A 43 -2.219 9.981 -5.776 1.00 0.00 O ATOM 670 CB ILE A 43 -0.276 11.621 -3.544 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.093 11.705 -2.865 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.255 10.904 -2.632 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.108 12.600 -1.645 1.00 0.00 C ATOM 0 H ILE A 43 1.434 12.156 -5.310 1.00 0.00 H new ATOM 0 HA ILE A 43 0.042 9.830 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.630 12.634 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.408 10.703 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.825 12.073 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.321 11.433 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.238 10.879 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.910 9.885 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.110 12.612 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.824 13.612 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.401 12.221 -0.907 1.00 0.00 H new ATOM 685 N LEU A 44 -1.834 12.167 -6.087 1.00 0.00 N ATOM 686 CA LEU A 44 -3.083 12.388 -6.810 1.00 0.00 C ATOM 687 C LEU A 44 -3.120 11.558 -8.090 1.00 0.00 C ATOM 688 O LEU A 44 -4.177 11.072 -8.495 1.00 0.00 O ATOM 689 CB LEU A 44 -3.277 13.881 -7.113 1.00 0.00 C ATOM 690 CG LEU A 44 -2.790 14.370 -8.483 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.479 15.673 -8.857 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.280 14.548 -8.480 1.00 0.00 C ATOM 0 H LEU A 44 -1.256 13.000 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.909 12.064 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.339 14.112 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.762 14.455 -6.343 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.046 13.617 -9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.122 16.006 -9.832 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.557 15.516 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.252 16.432 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.953 14.895 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.002 15.282 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.802 13.595 -8.254 1.00 0.00 H new ATOM 704 N GLU A 45 -1.959 11.386 -8.714 1.00 0.00 N ATOM 705 CA GLU A 45 -1.865 10.596 -9.936 1.00 0.00 C ATOM 706 C GLU A 45 -2.308 9.163 -9.668 1.00 0.00 C ATOM 707 O GLU A 45 -2.708 8.442 -10.581 1.00 0.00 O ATOM 708 CB GLU A 45 -0.436 10.614 -10.473 1.00 0.00 C ATOM 709 CG GLU A 45 -0.351 10.443 -11.980 1.00 0.00 C ATOM 710 CD GLU A 45 -0.484 8.996 -12.411 1.00 0.00 C ATOM 711 OE1 GLU A 45 -0.109 8.104 -11.621 1.00 0.00 O ATOM 712 OE2 GLU A 45 -0.964 8.754 -13.538 1.00 0.00 O ATOM 0 H GLU A 45 -1.074 11.781 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.523 11.034 -10.686 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.036 11.557 -10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.134 9.819 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.136 11.033 -12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.602 10.837 -12.334 1.00 0.00 H new ATOM 719 N ALA A 46 -2.250 8.768 -8.400 1.00 0.00 N ATOM 720 CA ALA A 46 -2.662 7.437 -7.994 1.00 0.00 C ATOM 721 C ALA A 46 -4.172 7.325 -8.074 1.00 0.00 C ATOM 722 O ALA A 46 -4.715 6.273 -8.411 1.00 0.00 O ATOM 723 CB ALA A 46 -2.180 7.139 -6.581 1.00 0.00 C ATOM 0 H ALA A 46 -1.919 9.357 -7.636 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.215 6.705 -8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.497 6.137 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.092 7.199 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.605 7.867 -5.890 1.00 0.00 H new ATOM 729 N GLY A 47 -4.848 8.428 -7.768 1.00 0.00 N ATOM 730 CA GLY A 47 -6.293 8.443 -7.817 1.00 0.00 C ATOM 731 C GLY A 47 -6.923 8.870 -6.505 1.00 0.00 C ATOM 732 O GLY A 47 -8.078 9.292 -6.477 1.00 0.00 O ATOM 0 H GLY A 47 -4.418 9.310 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.618 9.120 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.653 7.449 -8.081 1.00 0.00 H new ATOM 736 N LEU A 48 -6.168 8.763 -5.416 1.00 0.00 N ATOM 737 CA LEU A 48 -6.679 9.148 -4.107 1.00 0.00 C ATOM 738 C LEU A 48 -6.539 10.652 -3.885 1.00 0.00 C ATOM 739 O LEU A 48 -5.987 11.366 -4.722 1.00 0.00 O ATOM 740 CB LEU A 48 -5.976 8.364 -2.982 1.00 0.00 C ATOM 741 CG LEU A 48 -4.435 8.434 -2.918 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.808 7.165 -3.470 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.880 9.652 -3.641 1.00 0.00 C ATOM 0 H LEU A 48 -5.209 8.416 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.740 8.898 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.368 8.719 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.261 7.316 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.171 8.530 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.722 7.241 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.143 6.309 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.108 7.033 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.793 9.655 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.172 9.616 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.277 10.559 -3.184 1.00 0.00 H new ATOM 755 N THR A 49 -7.037 11.122 -2.749 1.00 0.00 N ATOM 756 CA THR A 49 -6.971 12.536 -2.405 1.00 0.00 C ATOM 757 C THR A 49 -6.340 12.721 -1.037 1.00 0.00 C ATOM 758 O THR A 49 -5.609 13.682 -0.796 1.00 0.00 O ATOM 759 CB THR A 49 -8.364 13.191 -2.413 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.034 12.904 -3.646 1.00 0.00 O ATOM 761 CG2 THR A 49 -8.254 14.698 -2.229 1.00 0.00 C ATOM 0 H THR A 49 -7.494 10.541 -2.046 1.00 0.00 H new ATOM 0 HA THR A 49 -6.357 13.022 -3.163 1.00 0.00 H new ATOM 0 HB THR A 49 -8.939 12.780 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.920 13.323 -3.642 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.251 15.139 -2.238 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.770 14.914 -1.276 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.662 15.121 -3.041 1.00 0.00 H new ATOM 769 N ALA A 50 -6.617 11.779 -0.153 1.00 0.00 N ATOM 770 CA ALA A 50 -6.069 11.805 1.193 1.00 0.00 C ATOM 771 C ALA A 50 -4.568 11.570 1.140 1.00 0.00 C ATOM 772 O ALA A 50 -3.984 11.524 0.058 1.00 0.00 O ATOM 773 CB ALA A 50 -6.748 10.755 2.059 1.00 0.00 C ATOM 0 H ALA A 50 -7.223 10.981 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.255 12.783 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.328 10.785 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.818 10.959 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.586 9.767 1.628 1.00 0.00 H new ATOM 779 N LEU A 51 -3.937 11.424 2.299 1.00 0.00 N ATOM 780 CA LEU A 51 -2.500 11.199 2.331 1.00 0.00 C ATOM 781 C LEU A 51 -2.169 9.712 2.347 1.00 0.00 C ATOM 782 O LEU A 51 -1.550 9.212 1.410 1.00 0.00 O ATOM 783 CB LEU A 51 -1.855 11.916 3.520 1.00 0.00 C ATOM 784 CG LEU A 51 -0.905 13.056 3.149 1.00 0.00 C ATOM 785 CD1 LEU A 51 -1.647 14.142 2.386 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.251 13.630 4.395 1.00 0.00 C ATOM 0 H LEU A 51 -4.389 11.457 3.213 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.083 11.621 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.645 12.314 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.306 11.184 4.112 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.123 12.657 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.955 14.945 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.069 13.722 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.450 14.539 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.422 14.440 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.020 14.014 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.315 12.848 4.902 1.00 0.00 H new ATOM 798 N PRO A 52 -2.566 8.979 3.401 1.00 0.00 N ATOM 799 CA PRO A 52 -2.293 7.541 3.501 1.00 0.00 C ATOM 800 C PRO A 52 -2.927 6.741 2.363 1.00 0.00 C ATOM 801 O PRO A 52 -3.795 5.902 2.596 1.00 0.00 O ATOM 802 CB PRO A 52 -2.918 7.137 4.844 1.00 0.00 C ATOM 803 CG PRO A 52 -3.082 8.411 5.600 1.00 0.00 C ATOM 804 CD PRO A 52 -3.305 9.481 4.572 1.00 0.00 C ATOM 0 HA PRO A 52 -1.225 7.336 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.877 6.640 4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.276 6.440 5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.925 8.350 6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.197 8.625 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.364 9.615 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.924 10.446 4.906 1.00 0.00 H new ATOM 812 N GLY A 53 -2.487 7.003 1.133 1.00 0.00 N ATOM 813 CA GLY A 53 -3.020 6.291 -0.011 1.00 0.00 C ATOM 814 C GLY A 53 -2.060 5.235 -0.519 1.00 0.00 C ATOM 815 O GLY A 53 -0.844 5.406 -0.440 1.00 0.00 O ATOM 0 H GLY A 53 -1.772 7.696 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.965 5.821 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.236 6.999 -0.811 1.00 0.00 H new ATOM 819 N LEU A 54 -2.603 4.141 -1.038 1.00 0.00 N ATOM 820 CA LEU A 54 -1.776 3.058 -1.555 1.00 0.00 C ATOM 821 C LEU A 54 -2.425 2.414 -2.773 1.00 0.00 C ATOM 822 O LEU A 54 -3.521 1.860 -2.685 1.00 0.00 O ATOM 823 CB LEU A 54 -1.535 2.007 -0.468 1.00 0.00 C ATOM 824 CG LEU A 54 -0.793 0.751 -0.929 1.00 0.00 C ATOM 825 CD1 LEU A 54 0.185 0.284 0.139 1.00 0.00 C ATOM 826 CD2 LEU A 54 -1.780 -0.356 -1.271 1.00 0.00 C ATOM 0 H LEU A 54 -3.608 3.980 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.817 3.478 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.968 2.468 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.498 1.709 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.227 0.997 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.703 -0.610 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.913 1.071 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.359 0.056 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.235 -1.242 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.374 -0.599 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.440 -0.021 -2.072 1.00 0.00 H new ATOM 838 N ALA A 55 -1.741 2.488 -3.910 1.00 0.00 N ATOM 839 CA ALA A 55 -2.257 1.909 -5.143 1.00 0.00 C ATOM 840 C ALA A 55 -1.623 0.554 -5.417 1.00 0.00 C ATOM 841 O ALA A 55 -0.401 0.434 -5.509 1.00 0.00 O ATOM 842 CB ALA A 55 -2.021 2.849 -6.312 1.00 0.00 C ATOM 0 H ALA A 55 -0.832 2.941 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.331 1.763 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.413 2.400 -7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.529 3.795 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.952 3.027 -6.425 1.00 0.00 H new ATOM 848 N VAL A 56 -2.462 -0.466 -5.543 1.00 0.00 N ATOM 849 CA VAL A 56 -1.987 -1.817 -5.803 1.00 0.00 C ATOM 850 C VAL A 56 -2.472 -2.328 -7.145 1.00 0.00 C ATOM 851 O VAL A 56 -3.633 -2.154 -7.509 1.00 0.00 O ATOM 852 CB VAL A 56 -2.426 -2.800 -4.707 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.338 -2.914 -3.658 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.748 -2.372 -4.083 1.00 0.00 C ATOM 0 H VAL A 56 -3.476 -0.382 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.899 -1.760 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.583 -3.780 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.652 -3.612 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.421 -3.277 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.157 -1.935 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.034 -3.086 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.637 -1.383 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.520 -2.341 -4.852 1.00 0.00 H new ATOM 864 N ASP A 57 -1.567 -2.962 -7.877 1.00 0.00 N ATOM 865 CA ASP A 57 -1.887 -3.506 -9.194 1.00 0.00 C ATOM 866 C ASP A 57 -2.649 -2.483 -10.036 1.00 0.00 C ATOM 867 O ASP A 57 -3.441 -2.847 -10.905 1.00 0.00 O ATOM 868 CB ASP A 57 -2.712 -4.786 -9.054 1.00 0.00 C ATOM 869 CG ASP A 57 -1.917 -5.924 -8.442 1.00 0.00 C ATOM 870 OD1 ASP A 57 -0.692 -5.986 -8.678 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.520 -6.752 -7.727 1.00 0.00 O ATOM 0 H ASP A 57 -0.602 -3.114 -7.582 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.950 -3.740 -9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.587 -4.585 -8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.077 -5.089 -10.035 1.00 0.00 H new ATOM 876 N GLY A 58 -2.407 -1.203 -9.765 1.00 0.00 N ATOM 877 CA GLY A 58 -3.082 -0.146 -10.500 1.00 0.00 C ATOM 878 C GLY A 58 -4.523 0.029 -10.068 1.00 0.00 C ATOM 879 O GLY A 58 -5.376 0.415 -10.868 1.00 0.00 O ATOM 0 H GLY A 58 -1.756 -0.879 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.546 0.792 -10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.050 -0.371 -11.566 1.00 0.00 H new ATOM 883 N GLU A 59 -4.796 -0.262 -8.803 1.00 0.00 N ATOM 884 CA GLU A 59 -6.143 -0.139 -8.260 1.00 0.00 C ATOM 885 C GLU A 59 -6.107 0.366 -6.822 1.00 0.00 C ATOM 886 O GLU A 59 -5.788 -0.381 -5.898 1.00 0.00 O ATOM 887 CB GLU A 59 -6.864 -1.487 -8.321 1.00 0.00 C ATOM 888 CG GLU A 59 -8.312 -1.423 -7.864 1.00 0.00 C ATOM 889 CD GLU A 59 -9.114 -0.380 -8.617 1.00 0.00 C ATOM 890 OE1 GLU A 59 -9.296 -0.542 -9.842 1.00 0.00 O ATOM 891 OE2 GLU A 59 -9.561 0.598 -7.982 1.00 0.00 O ATOM 0 H GLU A 59 -4.100 -0.586 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.687 0.585 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.831 -1.862 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.327 -2.205 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.776 -2.400 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.343 -1.200 -6.797 1.00 0.00 H new ATOM 898 N LEU A 60 -6.435 1.640 -6.646 1.00 0.00 N ATOM 899 CA LEU A 60 -6.442 2.258 -5.322 1.00 0.00 C ATOM 900 C LEU A 60 -7.327 1.474 -4.355 1.00 0.00 C ATOM 901 O LEU A 60 -8.491 1.202 -4.648 1.00 0.00 O ATOM 902 CB LEU A 60 -6.929 3.709 -5.409 1.00 0.00 C ATOM 903 CG LEU A 60 -6.143 4.620 -6.362 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.664 4.258 -6.365 1.00 0.00 C ATOM 905 CD2 LEU A 60 -6.720 4.545 -7.770 1.00 0.00 C ATOM 0 H LEU A 60 -6.701 2.268 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.420 2.246 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.974 3.704 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.896 4.144 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.237 5.646 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.129 4.918 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.260 4.372 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.543 3.225 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.150 5.197 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.661 3.519 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.762 4.865 -7.754 1.00 0.00 H new ATOM 917 N LYS A 61 -6.767 1.111 -3.204 1.00 0.00 N ATOM 918 CA LYS A 61 -7.510 0.354 -2.200 1.00 0.00 C ATOM 919 C LYS A 61 -7.403 0.993 -0.812 1.00 0.00 C ATOM 920 O LYS A 61 -8.096 0.584 0.119 1.00 0.00 O ATOM 921 CB LYS A 61 -7.005 -1.090 -2.149 1.00 0.00 C ATOM 922 CG LYS A 61 -8.004 -2.101 -2.688 1.00 0.00 C ATOM 923 CD LYS A 61 -8.939 -2.596 -1.596 1.00 0.00 C ATOM 924 CE LYS A 61 -10.375 -2.685 -2.088 1.00 0.00 C ATOM 925 NZ LYS A 61 -10.656 -3.990 -2.750 1.00 0.00 N ATOM 0 H LYS A 61 -5.805 1.328 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.560 0.363 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.081 -1.164 -2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.762 -1.345 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.587 -1.647 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.470 -2.946 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.610 -3.576 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.888 -1.923 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.056 -2.550 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.570 -1.873 -2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.645 -4.011 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.024 -4.108 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.495 -4.764 -2.074 1.00 0.00 H new ATOM 939 N ILE A 62 -6.533 1.989 -0.675 1.00 0.00 N ATOM 940 CA ILE A 62 -6.343 2.668 0.600 1.00 0.00 C ATOM 941 C ILE A 62 -6.314 4.183 0.398 1.00 0.00 C ATOM 942 O ILE A 62 -5.571 4.688 -0.442 1.00 0.00 O ATOM 943 CB ILE A 62 -5.041 2.189 1.287 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.326 0.969 2.165 1.00 0.00 C ATOM 945 CG2 ILE A 62 -4.403 3.297 2.112 1.00 0.00 C ATOM 946 CD1 ILE A 62 -5.669 -0.275 1.375 1.00 0.00 C ATOM 0 H ILE A 62 -5.949 2.343 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.183 2.420 1.249 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.334 1.910 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.454 0.766 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.151 1.201 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.492 2.924 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.160 4.139 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.100 3.623 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.859 -1.101 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.559 -0.090 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.836 -0.531 0.720 1.00 0.00 H new ATOM 958 N MET A 63 -7.140 4.899 1.157 1.00 0.00 N ATOM 959 CA MET A 63 -7.213 6.353 1.041 1.00 0.00 C ATOM 960 C MET A 63 -7.513 7.016 2.385 1.00 0.00 C ATOM 961 O MET A 63 -8.588 6.815 2.951 1.00 0.00 O ATOM 962 CB MET A 63 -8.297 6.728 0.029 1.00 0.00 C ATOM 963 CG MET A 63 -8.402 8.219 -0.237 1.00 0.00 C ATOM 964 SD MET A 63 -9.399 9.083 0.994 1.00 0.00 S ATOM 965 CE MET A 63 -11.043 8.532 0.547 1.00 0.00 C ATOM 0 H MET A 63 -7.766 4.498 1.856 1.00 0.00 H new ATOM 0 HA MET A 63 -6.241 6.713 0.703 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.096 6.215 -0.911 1.00 0.00 H new ATOM 0 HB3 MET A 63 -9.259 6.365 0.391 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.401 8.651 -0.255 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.836 8.377 -1.224 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.782 9.212 0.970 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.140 8.520 -0.539 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.209 7.528 0.937 1.00 0.00 H new ATOM 975 N GLY A 64 -6.577 7.825 2.887 1.00 0.00 N ATOM 976 CA GLY A 64 -6.805 8.510 4.151 1.00 0.00 C ATOM 977 C GLY A 64 -6.797 7.586 5.354 1.00 0.00 C ATOM 978 O GLY A 64 -7.037 8.026 6.479 1.00 0.00 O ATOM 0 H GLY A 64 -5.677 8.016 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.038 9.273 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.764 9.026 4.107 1.00 0.00 H new ATOM 982 N ARG A 65 -6.523 6.309 5.128 1.00 0.00 N ATOM 983 CA ARG A 65 -6.488 5.334 6.210 1.00 0.00 C ATOM 984 C ARG A 65 -5.937 4.006 5.713 1.00 0.00 C ATOM 985 O ARG A 65 -6.666 3.196 5.142 1.00 0.00 O ATOM 986 CB ARG A 65 -7.889 5.134 6.794 1.00 0.00 C ATOM 987 CG ARG A 65 -7.893 4.899 8.296 1.00 0.00 C ATOM 988 CD ARG A 65 -7.877 6.209 9.066 1.00 0.00 C ATOM 989 NE ARG A 65 -6.574 6.470 9.677 1.00 0.00 N ATOM 990 CZ ARG A 65 -6.070 5.758 10.681 1.00 0.00 C ATOM 991 NH1 ARG A 65 -6.752 4.738 11.189 1.00 0.00 N ATOM 992 NH2 ARG A 65 -4.880 6.063 11.178 1.00 0.00 N ATOM 0 H ARG A 65 -6.322 5.923 4.205 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.832 5.714 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.496 6.011 6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.362 4.285 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.777 4.324 8.573 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.024 4.302 8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.133 7.028 8.393 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.642 6.183 9.842 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.019 7.244 9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.667 4.497 10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.360 4.196 11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.350 6.844 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.494 5.517 11.948 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.645 3.790 5.926 1.00 0.00 N ATOM 1007 CA VAL A 66 -4.006 2.561 5.489 1.00 0.00 C ATOM 1008 C VAL A 66 -4.515 1.367 6.297 1.00 0.00 C ATOM 1009 O VAL A 66 -4.539 1.404 7.527 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.464 2.660 5.594 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.956 2.144 6.936 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.805 1.913 4.446 1.00 0.00 C ATOM 0 H VAL A 66 -4.024 4.448 6.397 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.266 2.410 4.441 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.194 3.714 5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.870 2.230 6.971 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.393 2.734 7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.241 1.099 7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.722 1.992 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.096 0.863 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.124 2.347 3.499 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.928 0.313 5.601 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.442 -0.883 6.259 1.00 0.00 C ATOM 1024 C ALA A 67 -4.367 -1.556 7.106 1.00 0.00 C ATOM 1025 O ALA A 67 -3.181 -1.250 6.979 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.993 -1.857 5.228 1.00 0.00 C ATOM 0 H ALA A 67 -4.917 0.263 4.582 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.250 -0.579 6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.373 -2.745 5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.802 -1.381 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.199 -2.144 4.538 1.00 0.00 H new ATOM 1032 N SER A 68 -4.791 -2.476 7.968 1.00 0.00 N ATOM 1033 CA SER A 68 -3.865 -3.194 8.836 1.00 0.00 C ATOM 1034 C SER A 68 -3.524 -4.562 8.253 1.00 0.00 C ATOM 1035 O SER A 68 -4.104 -4.984 7.253 1.00 0.00 O ATOM 1036 CB SER A 68 -4.468 -3.359 10.233 1.00 0.00 C ATOM 1037 OG SER A 68 -4.388 -2.150 10.968 1.00 0.00 O ATOM 0 H SER A 68 -5.769 -2.741 8.083 1.00 0.00 H new ATOM 0 HA SER A 68 -2.947 -2.611 8.910 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.510 -3.669 10.149 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.942 -4.150 10.769 1.00 0.00 H new ATOM 0 HG SER A 68 -4.781 -2.280 11.856 1.00 0.00 H new ATOM 1043 N LYS A 69 -2.576 -5.250 8.885 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.155 -6.571 8.427 1.00 0.00 C ATOM 1045 C LYS A 69 -3.335 -7.535 8.368 1.00 0.00 C ATOM 1046 O LYS A 69 -3.524 -8.240 7.377 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.072 -7.132 9.353 1.00 0.00 C ATOM 1048 CG LYS A 69 -1.470 -7.147 10.819 1.00 0.00 C ATOM 1049 CD LYS A 69 -0.265 -6.962 11.726 1.00 0.00 C ATOM 1050 CE LYS A 69 -0.684 -6.715 13.166 1.00 0.00 C ATOM 1051 NZ LYS A 69 -0.832 -7.986 13.927 1.00 0.00 N ATOM 0 H LYS A 69 -2.086 -4.915 9.714 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.749 -6.464 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.830 -8.148 9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.165 -6.539 9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.194 -6.355 11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.962 -8.091 11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.368 -7.848 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.333 -6.123 11.371 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.056 -6.083 13.656 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.628 -6.171 13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.119 -7.774 14.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.557 -8.579 13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.076 -8.494 13.935 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.128 -7.560 9.433 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.290 -8.439 9.500 1.00 0.00 C ATOM 1067 C GLU A 70 -6.271 -8.134 8.372 1.00 0.00 C ATOM 1068 O GLU A 70 -6.904 -9.037 7.826 1.00 0.00 O ATOM 1069 CB GLU A 70 -5.990 -8.290 10.853 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.602 -9.585 11.367 1.00 0.00 C ATOM 1071 CD GLU A 70 -8.117 -9.577 11.311 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.682 -8.726 10.591 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -8.741 -10.422 11.985 1.00 0.00 O ATOM 0 H GLU A 70 -3.988 -6.982 10.262 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.943 -9.466 9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.272 -7.921 11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.773 -7.537 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.225 -10.420 10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.281 -9.751 12.395 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.391 -6.856 8.031 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.296 -6.429 6.970 1.00 0.00 C ATOM 1082 C GLU A 71 -6.877 -7.014 5.624 1.00 0.00 C ATOM 1083 O GLU A 71 -7.721 -7.392 4.812 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.332 -4.903 6.889 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.359 -4.270 7.814 1.00 0.00 C ATOM 1086 CD GLU A 71 -8.178 -4.691 9.259 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -8.327 -5.898 9.549 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -7.888 -3.816 10.102 1.00 0.00 O ATOM 0 H GLU A 71 -5.873 -6.097 8.474 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.294 -6.798 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.345 -4.511 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.548 -4.607 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.286 -3.185 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.360 -4.545 7.482 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.570 -7.082 5.393 1.00 0.00 N ATOM 1096 CA ILE A 72 -5.043 -7.619 4.144 1.00 0.00 C ATOM 1097 C ILE A 72 -5.444 -9.079 3.959 1.00 0.00 C ATOM 1098 O ILE A 72 -6.034 -9.447 2.945 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.506 -7.509 4.087 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.066 -6.067 4.342 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.985 -7.997 2.742 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -3.672 -5.070 3.378 1.00 0.00 C ATOM 0 H ILE A 72 -4.857 -6.772 6.054 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.472 -7.022 3.339 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.085 -8.142 4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.338 -5.787 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.980 -6.010 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.899 -7.912 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.270 -9.039 2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.413 -7.390 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.316 -4.068 3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.379 -5.324 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.758 -5.098 3.461 1.00 0.00 H new ATOM 1114 N LYS A 73 -5.118 -9.907 4.946 1.00 0.00 N ATOM 1115 CA LYS A 73 -5.440 -11.329 4.891 1.00 0.00 C ATOM 1116 C LYS A 73 -6.921 -11.550 4.593 1.00 0.00 C ATOM 1117 O LYS A 73 -7.290 -12.505 3.910 1.00 0.00 O ATOM 1118 CB LYS A 73 -5.070 -12.007 6.211 1.00 0.00 C ATOM 1119 CG LYS A 73 -5.183 -13.524 6.168 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.876 -14.195 6.559 1.00 0.00 C ATOM 1121 CE LYS A 73 -3.758 -14.341 8.068 1.00 0.00 C ATOM 1122 NZ LYS A 73 -2.464 -14.961 8.465 1.00 0.00 N ATOM 0 H LYS A 73 -4.631 -9.618 5.794 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.859 -11.772 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.049 -11.734 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.717 -11.625 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.975 -13.849 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.469 -13.840 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.815 -15.177 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.037 -13.610 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.850 -13.361 8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.582 -14.950 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.422 -15.043 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.387 -15.907 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.678 -14.367 8.133 1.00 0.00 H new ATOM 1136 N LYS A 74 -7.764 -10.663 5.110 1.00 0.00 N ATOM 1137 CA LYS A 74 -9.203 -10.764 4.902 1.00 0.00 C ATOM 1138 C LYS A 74 -9.586 -10.359 3.481 1.00 0.00 C ATOM 1139 O LYS A 74 -10.428 -10.999 2.850 1.00 0.00 O ATOM 1140 CB LYS A 74 -9.947 -9.888 5.911 1.00 0.00 C ATOM 1141 CG LYS A 74 -10.159 -10.559 7.259 1.00 0.00 C ATOM 1142 CD LYS A 74 -10.114 -9.552 8.396 1.00 0.00 C ATOM 1143 CE LYS A 74 -11.302 -8.605 8.348 1.00 0.00 C ATOM 1144 NZ LYS A 74 -12.484 -9.160 9.062 1.00 0.00 N ATOM 0 H LYS A 74 -7.475 -9.866 5.677 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.490 -11.805 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.389 -8.964 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.916 -9.612 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.121 -11.072 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.392 -11.318 7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.106 -10.079 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.188 -8.979 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.023 -7.650 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.566 -8.406 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.272 -8.484 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.766 -10.058 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.241 -9.326 10.059 1.00 0.00 H new ATOM 1158 N ILE A 75 -8.964 -9.297 2.981 1.00 0.00 N ATOM 1159 CA ILE A 75 -9.241 -8.812 1.635 1.00 0.00 C ATOM 1160 C ILE A 75 -8.578 -9.703 0.589 1.00 0.00 C ATOM 1161 O ILE A 75 -9.016 -9.761 -0.560 1.00 0.00 O ATOM 1162 CB ILE A 75 -8.770 -7.343 1.454 1.00 0.00 C ATOM 1163 CG1 ILE A 75 -9.704 -6.603 0.494 1.00 0.00 C ATOM 1164 CG2 ILE A 75 -7.331 -7.282 0.954 1.00 0.00 C ATOM 1165 CD1 ILE A 75 -10.085 -5.218 0.970 1.00 0.00 C ATOM 0 H ILE A 75 -8.264 -8.756 3.488 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.321 -8.846 1.494 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.805 -6.853 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.222 -6.524 -0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.610 -7.193 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.030 -6.241 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.675 -7.771 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.258 -7.791 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.748 -4.752 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.596 -5.291 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.186 -4.612 1.082 1.00 0.00 H new ATOM 1177 N LEU A 76 -7.517 -10.392 0.996 1.00 0.00 N ATOM 1178 CA LEU A 76 -6.791 -11.274 0.095 1.00 0.00 C ATOM 1179 C LEU A 76 -7.270 -12.716 0.235 1.00 0.00 C ATOM 1180 O LEU A 76 -7.177 -13.504 -0.707 1.00 0.00 O ATOM 1181 CB LEU A 76 -5.287 -11.185 0.368 1.00 0.00 C ATOM 1182 CG LEU A 76 -4.425 -10.880 -0.860 1.00 0.00 C ATOM 1183 CD1 LEU A 76 -3.391 -9.812 -0.537 1.00 0.00 C ATOM 1184 CD2 LEU A 76 -3.747 -12.145 -1.363 1.00 0.00 C ATOM 0 H LEU A 76 -7.142 -10.355 1.944 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.986 -10.951 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.114 -10.412 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.955 -12.128 0.802 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.074 -10.500 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.788 -9.609 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.897 -8.898 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.746 -10.162 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.139 -11.909 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.111 -12.554 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.504 -12.880 -1.636 1.00 0.00 H new ATOM 1196 N SER A 77 -7.780 -13.057 1.414 1.00 0.00 N ATOM 1197 CA SER A 77 -8.272 -14.407 1.674 1.00 0.00 C ATOM 1198 C SER A 77 -7.134 -15.420 1.611 1.00 0.00 C ATOM 1199 O SER A 77 -5.964 -14.992 1.523 1.00 0.00 O ATOM 1200 CB SER A 77 -9.361 -14.781 0.668 1.00 0.00 C ATOM 1201 OG SER A 77 -10.226 -13.687 0.421 1.00 0.00 O ATOM 1202 OXT SER A 77 -7.422 -16.636 1.650 1.00 0.00 O ATOM 0 H SER A 77 -7.864 -12.418 2.205 1.00 0.00 H new ATOM 0 HA SER A 77 -8.696 -14.425 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.902 -15.103 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.937 -15.625 1.048 1.00 0.00 H new ATOM 0 HG SER A 77 -10.912 -13.952 -0.227 1.00 0.00 H new TER 1208 SER A 77