USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 676 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 44 ASN : amide:sc= 0.614 K(o=2.3,f=-5!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -147:sc= 1.68 (180deg=0.187) USER MOD Set 2.1: A 10 SER OG : rot 128:sc= 1.23 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.516 K(o=1.7,f=-2.9) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0607) USER MOD Single : A 9 THR OG1 : rot 120:sc= -0.0545 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= 0.288 K(o=0.29,f=-3.5!) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.212 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.1) USER MOD Single : A 28 ASN : amide:sc= 0.464 K(o=0.46,f=-0.93) USER MOD Single : A 30 MET CE :methyl -157:sc= 0 (180deg=-0.576) USER MOD Single : A 38 TYR OH : rot -173:sc= 1.24 USER MOD Single : A 42 MET CE :methyl -153:sc= 0 (180deg=-0.177) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 162:sc= -0.166 (180deg=-0.598) USER MOD Single : A 58 THR OG1 : rot -92:sc= 1.16 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= -2.88! (180deg=-4.01!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 3.879 -12.767 10.602 1.00 0.00 N ATOM 2 CA MET A 0 4.516 -11.701 11.391 1.00 0.00 C ATOM 3 C MET A 0 5.425 -10.872 10.485 1.00 0.00 C ATOM 4 O MET A 0 6.650 -10.912 10.625 1.00 0.00 O ATOM 5 CB MET A 0 5.300 -12.244 12.600 1.00 0.00 C ATOM 6 CG MET A 0 4.436 -12.975 13.630 1.00 0.00 C ATOM 7 SD MET A 0 5.216 -13.125 15.259 1.00 0.00 S ATOM 8 CE MET A 0 4.010 -14.210 16.063 1.00 0.00 C ATOM 0 H1 MET A 0 3.260 -13.332 11.218 1.00 0.00 H new ATOM 0 H2 MET A 0 3.314 -12.343 9.838 1.00 0.00 H new ATOM 0 H3 MET A 0 4.612 -13.380 10.191 1.00 0.00 H new ATOM 0 HA MET A 0 3.725 -11.071 11.797 1.00 0.00 H new ATOM 0 HB2 MET A 0 6.073 -12.924 12.242 1.00 0.00 H new ATOM 0 HB3 MET A 0 5.808 -11.415 13.092 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.489 -12.446 13.738 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.204 -13.972 13.255 1.00 0.00 H new ATOM 0 HE1 MET A 0 4.328 -14.413 17.086 1.00 0.00 H new ATOM 0 HE2 MET A 0 3.035 -13.723 16.076 1.00 0.00 H new ATOM 0 HE3 MET A 0 3.940 -15.148 15.512 1.00 0.00 H new ATOM 20 N SER A 1 4.852 -10.121 9.541 1.00 0.00 N ATOM 21 CA SER A 1 5.629 -9.201 8.712 1.00 0.00 C ATOM 22 C SER A 1 4.794 -7.988 8.331 1.00 0.00 C ATOM 23 O SER A 1 5.277 -6.863 8.471 1.00 0.00 O ATOM 24 CB SER A 1 6.208 -9.939 7.498 1.00 0.00 C ATOM 25 OG SER A 1 6.972 -9.083 6.672 1.00 0.00 O ATOM 0 H SER A 1 3.853 -10.133 9.333 1.00 0.00 H new ATOM 0 HA SER A 1 6.477 -8.824 9.284 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.832 -10.765 7.840 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.395 -10.373 6.916 1.00 0.00 H new ATOM 0 HG SER A 1 7.324 -9.591 5.911 1.00 0.00 H new ATOM 31 N LYS A 2 3.534 -8.217 7.938 1.00 0.00 N ATOM 32 CA LYS A 2 2.553 -7.194 7.603 1.00 0.00 C ATOM 33 C LYS A 2 3.041 -6.286 6.484 1.00 0.00 C ATOM 34 O LYS A 2 3.734 -5.294 6.710 1.00 0.00 O ATOM 35 CB LYS A 2 2.116 -6.475 8.870 1.00 0.00 C ATOM 36 CG LYS A 2 0.954 -5.526 8.609 1.00 0.00 C ATOM 37 CD LYS A 2 0.370 -5.056 9.955 1.00 0.00 C ATOM 38 CE LYS A 2 1.323 -4.077 10.648 1.00 0.00 C ATOM 39 NZ LYS A 2 0.775 -3.549 11.914 1.00 0.00 N ATOM 0 H LYS A 2 3.162 -9.162 7.843 1.00 0.00 H new ATOM 0 HA LYS A 2 1.658 -7.659 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.825 -7.208 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.957 -5.916 9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.293 -4.669 8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.185 -6.027 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.595 -4.577 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.193 -5.916 10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.270 -4.578 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.537 -3.247 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.459 -2.892 12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.115 -3.046 11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.595 -4.336 12.569 1.00 0.00 H new ATOM 53 N VAL A 3 2.702 -6.663 5.259 1.00 0.00 N ATOM 54 CA VAL A 3 2.977 -5.864 4.085 1.00 0.00 C ATOM 55 C VAL A 3 2.143 -4.585 4.179 1.00 0.00 C ATOM 56 O VAL A 3 1.006 -4.634 4.649 1.00 0.00 O ATOM 57 CB VAL A 3 2.667 -6.723 2.835 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.864 -5.993 1.504 1.00 0.00 C ATOM 59 CG2 VAL A 3 3.494 -8.023 2.820 1.00 0.00 C ATOM 0 H VAL A 3 2.224 -7.541 5.056 1.00 0.00 H new ATOM 0 HA VAL A 3 4.022 -5.561 4.012 1.00 0.00 H new ATOM 0 HB VAL A 3 1.605 -6.954 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.625 -6.666 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.207 -5.125 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.901 -5.667 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.249 -8.600 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.556 -7.778 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.262 -8.612 3.708 1.00 0.00 H new ATOM 69 N LYS A 4 2.712 -3.456 3.747 1.00 0.00 N ATOM 70 CA LYS A 4 2.053 -2.171 3.546 1.00 0.00 C ATOM 71 C LYS A 4 1.729 -2.084 2.064 1.00 0.00 C ATOM 72 O LYS A 4 2.579 -2.400 1.230 1.00 0.00 O ATOM 73 CB LYS A 4 2.980 -1.003 3.936 1.00 0.00 C ATOM 74 CG LYS A 4 3.238 -0.824 5.442 1.00 0.00 C ATOM 75 CD LYS A 4 4.047 -1.969 6.071 1.00 0.00 C ATOM 76 CE LYS A 4 4.529 -1.656 7.487 1.00 0.00 C ATOM 77 NZ LYS A 4 5.571 -0.611 7.517 1.00 0.00 N ATOM 0 H LYS A 4 3.705 -3.417 3.516 1.00 0.00 H new ATOM 0 HA LYS A 4 1.160 -2.101 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.939 -1.143 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.551 -0.079 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.769 0.114 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.281 -0.741 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.433 -2.870 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.909 -2.186 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.681 -1.335 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.920 -2.566 7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.981 -0.557 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.318 -0.846 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.149 0.307 7.269 1.00 0.00 H new ATOM 91 N ILE A 5 0.506 -1.685 1.738 1.00 0.00 N ATOM 92 CA ILE A 5 -0.040 -1.674 0.397 1.00 0.00 C ATOM 93 C ILE A 5 -0.718 -0.318 0.265 1.00 0.00 C ATOM 94 O ILE A 5 -1.921 -0.178 0.494 1.00 0.00 O ATOM 95 CB ILE A 5 -0.991 -2.859 0.157 1.00 0.00 C ATOM 96 CG1 ILE A 5 -0.364 -4.222 0.484 1.00 0.00 C ATOM 97 CG2 ILE A 5 -1.425 -2.876 -1.315 1.00 0.00 C ATOM 98 CD1 ILE A 5 -0.623 -4.656 1.925 1.00 0.00 C ATOM 0 H ILE A 5 -0.157 -1.346 2.435 1.00 0.00 H new ATOM 0 HA ILE A 5 0.727 -1.800 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.837 -2.713 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.764 -4.974 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.711 -4.175 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.099 -3.715 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.938 -1.944 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.547 -2.980 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.158 -5.626 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.199 -3.920 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.697 -4.732 2.095 1.00 0.00 H new ATOM 110 N GLU A 6 0.074 0.704 -0.037 1.00 0.00 N ATOM 111 CA GLU A 6 -0.400 2.081 0.055 1.00 0.00 C ATOM 112 C GLU A 6 -0.547 2.606 -1.357 1.00 0.00 C ATOM 113 O GLU A 6 0.419 2.607 -2.117 1.00 0.00 O ATOM 114 CB GLU A 6 0.510 2.949 0.936 1.00 0.00 C ATOM 115 CG GLU A 6 0.366 2.589 2.426 1.00 0.00 C ATOM 116 CD GLU A 6 0.663 3.767 3.360 1.00 0.00 C ATOM 117 OE1 GLU A 6 0.097 4.869 3.180 1.00 0.00 O ATOM 118 OE2 GLU A 6 1.441 3.592 4.327 1.00 0.00 O ATOM 0 H GLU A 6 1.041 0.607 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.369 2.118 0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.547 2.819 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.264 4.001 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.647 2.233 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.041 1.767 2.662 1.00 0.00 H new ATOM 125 N LEU A 7 -1.768 2.979 -1.732 1.00 0.00 N ATOM 126 CA LEU A 7 -2.129 3.473 -3.052 1.00 0.00 C ATOM 127 C LEU A 7 -2.313 4.979 -2.932 1.00 0.00 C ATOM 128 O LEU A 7 -3.373 5.419 -2.486 1.00 0.00 O ATOM 129 CB LEU A 7 -3.436 2.805 -3.528 1.00 0.00 C ATOM 130 CG LEU A 7 -3.309 1.434 -4.212 1.00 0.00 C ATOM 131 CD1 LEU A 7 -2.596 1.538 -5.563 1.00 0.00 C ATOM 132 CD2 LEU A 7 -2.664 0.367 -3.326 1.00 0.00 C ATOM 0 H LEU A 7 -2.564 2.943 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.354 3.239 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.093 2.694 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.931 3.485 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.331 1.101 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.526 0.548 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.160 2.199 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.594 1.941 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.607 -0.574 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.660 0.685 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.265 0.228 -2.427 1.00 0.00 H new ATOM 144 N PHE A 8 -1.301 5.754 -3.322 1.00 0.00 N ATOM 145 CA PHE A 8 -1.311 7.209 -3.287 1.00 0.00 C ATOM 146 C PHE A 8 -1.341 7.715 -4.732 1.00 0.00 C ATOM 147 O PHE A 8 -0.324 7.827 -5.414 1.00 0.00 O ATOM 148 CB PHE A 8 -0.145 7.716 -2.420 1.00 0.00 C ATOM 149 CG PHE A 8 -0.028 9.226 -2.266 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.661 9.996 -3.222 1.00 0.00 C ATOM 151 CD2 PHE A 8 -0.538 9.862 -1.120 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.850 11.375 -3.035 1.00 0.00 C ATOM 153 CE2 PHE A 8 -0.371 11.247 -0.938 1.00 0.00 C ATOM 154 CZ PHE A 8 0.321 12.007 -1.897 1.00 0.00 C ATOM 0 H PHE A 8 -0.427 5.371 -3.681 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.200 7.615 -2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.241 7.277 -1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.786 7.342 -2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.049 9.520 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.062 9.283 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.401 11.949 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.775 11.728 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.445 13.071 -1.760 1.00 0.00 H new ATOM 164 N THR A 9 -2.537 8.025 -5.217 1.00 0.00 N ATOM 165 CA THR A 9 -2.811 8.614 -6.520 1.00 0.00 C ATOM 166 C THR A 9 -4.325 8.823 -6.600 1.00 0.00 C ATOM 167 O THR A 9 -5.074 8.384 -5.724 1.00 0.00 O ATOM 168 CB THR A 9 -2.259 7.748 -7.684 1.00 0.00 C ATOM 169 OG1 THR A 9 -2.464 8.409 -8.920 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.837 6.329 -7.771 1.00 0.00 C ATOM 0 H THR A 9 -3.389 7.863 -4.680 1.00 0.00 H new ATOM 0 HA THR A 9 -2.296 9.569 -6.627 1.00 0.00 H new ATOM 0 HB THR A 9 -1.198 7.627 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.600 8.567 -9.354 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.389 5.805 -8.615 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.616 5.789 -6.850 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.917 6.384 -7.909 1.00 0.00 H new ATOM 178 N SER A 10 -4.783 9.517 -7.634 1.00 0.00 N ATOM 179 CA SER A 10 -6.148 9.482 -8.113 1.00 0.00 C ATOM 180 C SER A 10 -6.079 9.973 -9.563 1.00 0.00 C ATOM 181 O SER A 10 -6.187 11.173 -9.807 1.00 0.00 O ATOM 182 CB SER A 10 -7.074 10.321 -7.218 1.00 0.00 C ATOM 183 OG SER A 10 -8.420 9.997 -7.509 1.00 0.00 O ATOM 0 H SER A 10 -4.187 10.141 -8.178 1.00 0.00 H new ATOM 0 HA SER A 10 -6.581 8.482 -8.076 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.859 10.126 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.898 11.383 -7.387 1.00 0.00 H new ATOM 0 HG SER A 10 -8.890 9.775 -6.678 1.00 0.00 H new ATOM 189 N PRO A 11 -5.837 9.095 -10.555 1.00 0.00 N ATOM 190 CA PRO A 11 -5.597 9.491 -11.947 1.00 0.00 C ATOM 191 C PRO A 11 -6.903 9.858 -12.685 1.00 0.00 C ATOM 192 O PRO A 11 -7.048 9.568 -13.871 1.00 0.00 O ATOM 193 CB PRO A 11 -4.846 8.297 -12.558 1.00 0.00 C ATOM 194 CG PRO A 11 -5.478 7.120 -11.826 1.00 0.00 C ATOM 195 CD PRO A 11 -5.644 7.658 -10.408 1.00 0.00 C ATOM 0 HA PRO A 11 -5.009 10.405 -12.030 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.990 8.232 -13.636 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.772 8.357 -12.383 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.434 6.836 -12.266 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.840 6.237 -11.852 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.497 7.197 -9.911 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.765 7.440 -9.801 1.00 0.00 H new ATOM 203 N MET A 12 -7.862 10.477 -11.984 1.00 0.00 N ATOM 204 CA MET A 12 -9.198 10.913 -12.389 1.00 0.00 C ATOM 205 C MET A 12 -10.094 9.806 -12.954 1.00 0.00 C ATOM 206 O MET A 12 -11.177 9.591 -12.416 1.00 0.00 O ATOM 207 CB MET A 12 -9.110 12.128 -13.327 1.00 0.00 C ATOM 208 CG MET A 12 -10.493 12.739 -13.584 1.00 0.00 C ATOM 209 SD MET A 12 -10.455 14.152 -14.714 1.00 0.00 S ATOM 210 CE MET A 12 -12.217 14.577 -14.749 1.00 0.00 C ATOM 0 H MET A 12 -7.696 10.710 -11.005 1.00 0.00 H new ATOM 0 HA MET A 12 -9.703 11.214 -11.471 1.00 0.00 H new ATOM 0 HB2 MET A 12 -8.454 12.880 -12.889 1.00 0.00 H new ATOM 0 HB3 MET A 12 -8.662 11.827 -14.274 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.150 11.972 -13.994 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.925 13.054 -12.634 1.00 0.00 H new ATOM 0 HE1 MET A 12 -12.372 15.434 -15.404 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.789 13.727 -15.122 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.552 14.825 -13.742 1.00 0.00 H new ATOM 220 N CYS A 13 -9.705 9.120 -14.029 1.00 0.00 N ATOM 221 CA CYS A 13 -10.479 8.030 -14.600 1.00 0.00 C ATOM 222 C CYS A 13 -10.278 6.754 -13.754 1.00 0.00 C ATOM 223 O CYS A 13 -11.104 6.547 -12.857 1.00 0.00 O ATOM 224 CB CYS A 13 -10.230 7.926 -16.113 1.00 0.00 C ATOM 225 SG CYS A 13 -10.946 9.377 -16.934 1.00 0.00 S ATOM 0 H CYS A 13 -8.836 9.311 -14.528 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.551 8.218 -14.543 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -9.160 7.869 -16.315 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.677 7.013 -16.506 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.738 9.298 -18.215 1.00 0.00 H new ATOM 231 N PRO A 14 -9.235 5.910 -13.939 1.00 0.00 N ATOM 232 CA PRO A 14 -9.096 4.647 -13.212 1.00 0.00 C ATOM 233 C PRO A 14 -8.679 4.889 -11.753 1.00 0.00 C ATOM 234 O PRO A 14 -7.519 4.752 -11.380 1.00 0.00 O ATOM 235 CB PRO A 14 -8.072 3.825 -14.006 1.00 0.00 C ATOM 236 CG PRO A 14 -7.155 4.897 -14.587 1.00 0.00 C ATOM 237 CD PRO A 14 -8.124 6.045 -14.875 1.00 0.00 C ATOM 0 HA PRO A 14 -10.039 4.105 -13.140 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.528 3.130 -13.366 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.548 3.233 -14.788 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.377 5.190 -13.882 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.653 4.554 -15.492 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.629 7.008 -14.750 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.479 6.001 -15.904 1.00 0.00 H new ATOM 245 N HIS A 15 -9.640 5.264 -10.908 1.00 0.00 N ATOM 246 CA HIS A 15 -9.424 5.593 -9.501 1.00 0.00 C ATOM 247 C HIS A 15 -10.403 4.820 -8.611 1.00 0.00 C ATOM 248 O HIS A 15 -10.784 5.288 -7.538 1.00 0.00 O ATOM 249 CB HIS A 15 -9.425 7.122 -9.309 1.00 0.00 C ATOM 250 CG HIS A 15 -10.781 7.784 -9.264 1.00 0.00 C ATOM 251 ND1 HIS A 15 -11.681 7.893 -10.307 1.00 0.00 N ATOM 252 CD2 HIS A 15 -11.264 8.498 -8.202 1.00 0.00 C ATOM 253 CE1 HIS A 15 -12.686 8.687 -9.887 1.00 0.00 C ATOM 254 NE2 HIS A 15 -12.465 9.049 -8.605 1.00 0.00 N ATOM 0 H HIS A 15 -10.616 5.349 -11.192 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.436 5.264 -9.178 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.900 7.352 -8.382 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.851 7.570 -10.120 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -11.600 7.454 -11.224 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.797 8.610 -7.235 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.535 8.987 -10.483 1.00 0.00 H new ATOM 263 N CYS A 16 -10.831 3.641 -9.064 1.00 0.00 N ATOM 264 CA CYS A 16 -11.638 2.697 -8.297 1.00 0.00 C ATOM 265 C CYS A 16 -11.016 1.299 -8.446 1.00 0.00 C ATOM 266 O CYS A 16 -10.594 0.747 -7.429 1.00 0.00 O ATOM 267 CB CYS A 16 -13.134 2.775 -8.662 1.00 0.00 C ATOM 268 SG CYS A 16 -13.720 4.499 -8.710 1.00 0.00 S ATOM 0 H CYS A 16 -10.618 3.308 -10.004 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.622 2.958 -7.239 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.298 2.307 -9.633 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.717 2.211 -7.934 1.00 0.00 H new ATOM 0 HG CYS A 16 -14.982 4.520 -9.022 1.00 0.00 H new ATOM 274 N PRO A 17 -10.847 0.741 -9.666 1.00 0.00 N ATOM 275 CA PRO A 17 -9.978 -0.412 -9.870 1.00 0.00 C ATOM 276 C PRO A 17 -8.516 0.026 -9.697 1.00 0.00 C ATOM 277 O PRO A 17 -7.849 0.404 -10.655 1.00 0.00 O ATOM 278 CB PRO A 17 -10.295 -0.933 -11.277 1.00 0.00 C ATOM 279 CG PRO A 17 -10.714 0.331 -12.026 1.00 0.00 C ATOM 280 CD PRO A 17 -11.434 1.138 -10.945 1.00 0.00 C ATOM 0 HA PRO A 17 -10.140 -1.212 -9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.427 -1.406 -11.737 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.092 -1.676 -11.262 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.854 0.868 -12.427 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -11.370 0.105 -12.867 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.310 2.208 -11.113 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.505 0.936 -10.959 1.00 0.00 H new ATOM 288 N ALA A 18 -8.046 0.033 -8.452 1.00 0.00 N ATOM 289 CA ALA A 18 -6.653 0.187 -8.068 1.00 0.00 C ATOM 290 C ALA A 18 -6.486 -0.627 -6.788 1.00 0.00 C ATOM 291 O ALA A 18 -6.303 -1.846 -6.857 1.00 0.00 O ATOM 292 CB ALA A 18 -6.291 1.673 -7.902 1.00 0.00 C ATOM 0 H ALA A 18 -8.661 -0.074 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.966 -0.178 -8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.243 1.762 -7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.454 2.195 -8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.919 2.116 -7.129 1.00 0.00 H new ATOM 298 N ALA A 19 -6.669 0.015 -5.624 1.00 0.00 N ATOM 299 CA ALA A 19 -6.605 -0.632 -4.326 1.00 0.00 C ATOM 300 C ALA A 19 -7.458 -1.894 -4.261 1.00 0.00 C ATOM 301 O ALA A 19 -7.015 -2.845 -3.637 1.00 0.00 O ATOM 302 CB ALA A 19 -7.025 0.358 -3.244 1.00 0.00 C ATOM 0 H ALA A 19 -6.868 1.014 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.574 -0.945 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.977 -0.127 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.353 1.216 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.045 0.693 -3.433 1.00 0.00 H new ATOM 308 N LYS A 20 -8.617 -1.954 -4.935 1.00 0.00 N ATOM 309 CA LYS A 20 -9.430 -3.171 -4.972 1.00 0.00 C ATOM 310 C LYS A 20 -8.622 -4.377 -5.471 1.00 0.00 C ATOM 311 O LYS A 20 -8.639 -5.420 -4.823 1.00 0.00 O ATOM 312 CB LYS A 20 -10.723 -2.982 -5.793 1.00 0.00 C ATOM 313 CG LYS A 20 -12.009 -3.321 -5.032 1.00 0.00 C ATOM 314 CD LYS A 20 -12.052 -4.723 -4.414 1.00 0.00 C ATOM 315 CE LYS A 20 -11.782 -5.838 -5.427 1.00 0.00 C ATOM 316 NZ LYS A 20 -11.935 -7.191 -4.860 1.00 0.00 N ATOM 0 H LYS A 20 -9.009 -1.172 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.731 -3.378 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.777 -1.947 -6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.667 -3.606 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.146 -2.587 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.854 -3.216 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.315 -4.783 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.030 -4.883 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.463 -5.726 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.770 -5.727 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.517 -7.888 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.451 -7.239 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.945 -7.401 -4.731 1.00 0.00 H new ATOM 330 N ARG A 21 -7.915 -4.267 -6.602 1.00 0.00 N ATOM 331 CA ARG A 21 -7.081 -5.384 -7.040 1.00 0.00 C ATOM 332 C ARG A 21 -5.892 -5.552 -6.116 1.00 0.00 C ATOM 333 O ARG A 21 -5.538 -6.693 -5.841 1.00 0.00 O ATOM 334 CB ARG A 21 -6.599 -5.283 -8.494 1.00 0.00 C ATOM 335 CG ARG A 21 -7.713 -5.643 -9.494 1.00 0.00 C ATOM 336 CD ARG A 21 -7.153 -6.230 -10.795 1.00 0.00 C ATOM 337 NE ARG A 21 -6.547 -7.557 -10.577 1.00 0.00 N ATOM 338 CZ ARG A 21 -5.627 -8.151 -11.348 1.00 0.00 C ATOM 339 NH1 ARG A 21 -5.131 -7.558 -12.425 1.00 0.00 N ATOM 340 NH2 ARG A 21 -5.210 -9.367 -11.019 1.00 0.00 N ATOM 0 H ARG A 21 -7.903 -3.447 -7.209 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.725 -6.262 -6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.248 -4.270 -8.691 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.749 -5.949 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.393 -6.362 -9.036 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.298 -4.751 -9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.952 -6.311 -11.532 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.406 -5.552 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.860 -8.075 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.449 -6.625 -12.685 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.431 -8.035 -12.993 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.590 -9.830 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.510 -9.838 -11.592 1.00 0.00 H new ATOM 354 N VAL A 22 -5.259 -4.470 -5.645 1.00 0.00 N ATOM 355 CA VAL A 22 -4.074 -4.682 -4.812 1.00 0.00 C ATOM 356 C VAL A 22 -4.452 -5.353 -3.466 1.00 0.00 C ATOM 357 O VAL A 22 -3.671 -6.165 -2.978 1.00 0.00 O ATOM 358 CB VAL A 22 -3.183 -3.420 -4.683 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.713 -3.816 -4.467 1.00 0.00 C ATOM 360 CG2 VAL A 22 -3.160 -2.522 -5.938 1.00 0.00 C ATOM 0 H VAL A 22 -5.526 -3.500 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.428 -5.392 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.622 -2.877 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.103 -2.917 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.625 -4.405 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.367 -4.407 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.513 -1.663 -5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.781 -3.092 -6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.170 -2.175 -6.156 1.00 0.00 H new ATOM 370 N VAL A 23 -5.640 -5.117 -2.886 1.00 0.00 N ATOM 371 CA VAL A 23 -6.100 -5.830 -1.689 1.00 0.00 C ATOM 372 C VAL A 23 -6.487 -7.266 -2.037 1.00 0.00 C ATOM 373 O VAL A 23 -6.192 -8.178 -1.269 1.00 0.00 O ATOM 374 CB VAL A 23 -7.229 -5.064 -0.942 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.598 -5.039 -1.624 1.00 0.00 C ATOM 376 CG2 VAL A 23 -7.432 -5.638 0.466 1.00 0.00 C ATOM 0 H VAL A 23 -6.306 -4.427 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.269 -5.878 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.865 -4.037 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.301 -4.477 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.509 -4.563 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.961 -6.059 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.226 -5.089 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.708 -6.690 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.507 -5.544 1.034 1.00 0.00 H new ATOM 386 N GLU A 24 -7.139 -7.490 -3.178 1.00 0.00 N ATOM 387 CA GLU A 24 -7.523 -8.816 -3.643 1.00 0.00 C ATOM 388 C GLU A 24 -6.275 -9.697 -3.769 1.00 0.00 C ATOM 389 O GLU A 24 -6.234 -10.798 -3.213 1.00 0.00 O ATOM 390 CB GLU A 24 -8.286 -8.618 -4.955 1.00 0.00 C ATOM 391 CG GLU A 24 -8.880 -9.866 -5.600 1.00 0.00 C ATOM 392 CD GLU A 24 -9.609 -9.433 -6.875 1.00 0.00 C ATOM 393 OE1 GLU A 24 -10.687 -8.795 -6.774 1.00 0.00 O ATOM 394 OE2 GLU A 24 -9.058 -9.642 -7.981 1.00 0.00 O ATOM 0 H GLU A 24 -7.418 -6.742 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.176 -9.340 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.096 -7.911 -4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.611 -8.153 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.095 -10.585 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.569 -10.359 -4.915 1.00 0.00 H new ATOM 401 N GLU A 25 -5.246 -9.177 -4.443 1.00 0.00 N ATOM 402 CA GLU A 25 -3.991 -9.865 -4.694 1.00 0.00 C ATOM 403 C GLU A 25 -3.188 -10.042 -3.408 1.00 0.00 C ATOM 404 O GLU A 25 -2.786 -11.153 -3.077 1.00 0.00 O ATOM 405 CB GLU A 25 -3.177 -9.100 -5.755 1.00 0.00 C ATOM 406 CG GLU A 25 -1.983 -9.923 -6.274 1.00 0.00 C ATOM 407 CD GLU A 25 -2.427 -10.970 -7.310 1.00 0.00 C ATOM 408 OE1 GLU A 25 -3.342 -11.788 -7.034 1.00 0.00 O ATOM 409 OE2 GLU A 25 -1.887 -10.972 -8.440 1.00 0.00 O ATOM 0 H GLU A 25 -5.271 -8.237 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.214 -10.862 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.827 -8.838 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.814 -8.165 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.247 -9.255 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.493 -10.422 -5.438 1.00 0.00 H new ATOM 416 N VAL A 26 -2.943 -8.979 -2.642 1.00 0.00 N ATOM 417 CA VAL A 26 -2.108 -9.147 -1.459 1.00 0.00 C ATOM 418 C VAL A 26 -2.855 -9.970 -0.392 1.00 0.00 C ATOM 419 O VAL A 26 -2.191 -10.581 0.435 1.00 0.00 O ATOM 420 CB VAL A 26 -1.503 -7.804 -1.000 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.518 -8.011 0.163 1.00 0.00 C ATOM 422 CG2 VAL A 26 -0.696 -7.154 -2.145 1.00 0.00 C ATOM 0 H VAL A 26 -3.293 -8.036 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.227 -9.744 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.337 -7.172 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.106 -7.049 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.040 -8.465 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.291 -8.667 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.277 -6.208 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.112 -7.821 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.353 -6.973 -2.996 1.00 0.00 H new ATOM 432 N ALA A 27 -4.189 -10.109 -0.443 1.00 0.00 N ATOM 433 CA ALA A 27 -4.909 -11.100 0.356 1.00 0.00 C ATOM 434 C ALA A 27 -4.870 -12.510 -0.252 1.00 0.00 C ATOM 435 O ALA A 27 -4.964 -13.482 0.498 1.00 0.00 O ATOM 436 CB ALA A 27 -6.366 -10.690 0.523 1.00 0.00 C ATOM 0 H ALA A 27 -4.791 -9.539 -1.037 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.401 -11.133 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.888 -11.438 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.417 -9.724 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.837 -10.614 -0.457 1.00 0.00 H new ATOM 442 N ASN A 28 -4.728 -12.663 -1.578 1.00 0.00 N ATOM 443 CA ASN A 28 -4.408 -13.975 -2.165 1.00 0.00 C ATOM 444 C ASN A 28 -3.164 -14.519 -1.486 1.00 0.00 C ATOM 445 O ASN A 28 -3.131 -15.672 -1.053 1.00 0.00 O ATOM 446 CB ASN A 28 -4.141 -13.985 -3.687 1.00 0.00 C ATOM 447 CG ASN A 28 -5.402 -14.002 -4.523 1.00 0.00 C ATOM 448 OD1 ASN A 28 -6.357 -14.701 -4.183 1.00 0.00 O ATOM 449 ND2 ASN A 28 -5.447 -13.287 -5.636 1.00 0.00 N ATOM 0 H ASN A 28 -4.828 -11.907 -2.256 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.300 -14.581 -2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.553 -13.106 -3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.538 -14.858 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.280 -13.311 -6.224 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.649 -12.712 -5.906 1.00 0.00 H new ATOM 456 N GLU A 29 -2.143 -13.680 -1.391 1.00 0.00 N ATOM 457 CA GLU A 29 -0.843 -14.045 -0.866 1.00 0.00 C ATOM 458 C GLU A 29 -0.870 -14.095 0.662 1.00 0.00 C ATOM 459 O GLU A 29 -0.431 -15.077 1.264 1.00 0.00 O ATOM 460 CB GLU A 29 0.170 -13.031 -1.420 1.00 0.00 C ATOM 461 CG GLU A 29 0.756 -13.498 -2.762 1.00 0.00 C ATOM 462 CD GLU A 29 -0.279 -13.994 -3.779 1.00 0.00 C ATOM 463 OE1 GLU A 29 -0.633 -15.192 -3.725 1.00 0.00 O ATOM 464 OE2 GLU A 29 -0.689 -13.213 -4.659 1.00 0.00 O ATOM 0 H GLU A 29 -2.201 -12.705 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.552 -15.047 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.316 -12.064 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.976 -12.889 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.314 -12.673 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.470 -14.299 -2.571 1.00 0.00 H new ATOM 471 N MET A 30 -1.399 -13.060 1.308 1.00 0.00 N ATOM 472 CA MET A 30 -1.291 -12.828 2.739 1.00 0.00 C ATOM 473 C MET A 30 -2.611 -12.285 3.297 1.00 0.00 C ATOM 474 O MET A 30 -2.706 -11.092 3.587 1.00 0.00 O ATOM 475 CB MET A 30 -0.128 -11.863 3.010 1.00 0.00 C ATOM 476 CG MET A 30 1.212 -12.530 2.694 1.00 0.00 C ATOM 477 SD MET A 30 2.690 -11.712 3.333 1.00 0.00 S ATOM 478 CE MET A 30 3.865 -12.980 2.795 1.00 0.00 C ATOM 0 H MET A 30 -1.933 -12.335 0.829 1.00 0.00 H new ATOM 0 HA MET A 30 -1.087 -13.771 3.247 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.245 -10.965 2.403 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.146 -11.548 4.053 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.188 -13.547 3.087 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.307 -12.609 1.611 1.00 0.00 H new ATOM 0 HE1 MET A 30 4.767 -12.922 3.405 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.413 -13.966 2.907 1.00 0.00 H new ATOM 0 HE3 MET A 30 4.123 -12.816 1.749 1.00 0.00 H new ATOM 488 N PRO A 31 -3.625 -13.135 3.527 1.00 0.00 N ATOM 489 CA PRO A 31 -4.875 -12.749 4.181 1.00 0.00 C ATOM 490 C PRO A 31 -4.667 -12.575 5.703 1.00 0.00 C ATOM 491 O PRO A 31 -5.319 -13.215 6.528 1.00 0.00 O ATOM 492 CB PRO A 31 -5.854 -13.860 3.791 1.00 0.00 C ATOM 493 CG PRO A 31 -4.973 -15.104 3.702 1.00 0.00 C ATOM 494 CD PRO A 31 -3.648 -14.552 3.180 1.00 0.00 C ATOM 0 HA PRO A 31 -5.262 -11.779 3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.641 -13.979 4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.343 -13.647 2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.855 -15.585 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.394 -15.849 3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.805 -15.076 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.569 -14.689 2.102 1.00 0.00 H new ATOM 502 N ASP A 32 -3.686 -11.758 6.082 1.00 0.00 N ATOM 503 CA ASP A 32 -3.348 -11.307 7.432 1.00 0.00 C ATOM 504 C ASP A 32 -2.501 -10.054 7.267 1.00 0.00 C ATOM 505 O ASP A 32 -2.882 -8.949 7.664 1.00 0.00 O ATOM 506 CB ASP A 32 -2.523 -12.352 8.208 1.00 0.00 C ATOM 507 CG ASP A 32 -1.852 -11.712 9.431 1.00 0.00 C ATOM 508 OD1 ASP A 32 -2.581 -11.454 10.420 1.00 0.00 O ATOM 509 OD2 ASP A 32 -0.628 -11.459 9.392 1.00 0.00 O ATOM 0 H ASP A 32 -3.051 -11.359 5.391 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.265 -11.134 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.170 -13.169 8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.765 -12.783 7.554 1.00 0.00 H new ATOM 514 N ALA A 33 -1.334 -10.253 6.657 1.00 0.00 N ATOM 515 CA ALA A 33 -0.252 -9.305 6.544 1.00 0.00 C ATOM 516 C ALA A 33 -0.515 -8.347 5.379 1.00 0.00 C ATOM 517 O ALA A 33 0.346 -8.189 4.523 1.00 0.00 O ATOM 518 CB ALA A 33 1.060 -10.107 6.410 1.00 0.00 C ATOM 0 H ALA A 33 -1.116 -11.140 6.203 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.170 -8.672 7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.900 -9.418 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.195 -10.734 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.013 -10.736 5.521 1.00 0.00 H new ATOM 524 N VAL A 34 -1.688 -7.715 5.351 1.00 0.00 N ATOM 525 CA VAL A 34 -2.175 -6.895 4.252 1.00 0.00 C ATOM 526 C VAL A 34 -2.706 -5.566 4.829 1.00 0.00 C ATOM 527 O VAL A 34 -3.889 -5.449 5.148 1.00 0.00 O ATOM 528 CB VAL A 34 -3.134 -7.755 3.371 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.354 -8.357 4.092 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.638 -7.008 2.130 1.00 0.00 C ATOM 0 H VAL A 34 -2.348 -7.765 6.127 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.401 -6.581 3.552 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.486 -8.583 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.948 -8.933 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.016 -9.010 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.963 -7.555 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.300 -7.658 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.183 -6.116 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.790 -6.718 1.510 1.00 0.00 H new ATOM 540 N GLU A 35 -1.829 -4.578 5.047 1.00 0.00 N ATOM 541 CA GLU A 35 -2.189 -3.207 5.428 1.00 0.00 C ATOM 542 C GLU A 35 -2.474 -2.409 4.162 1.00 0.00 C ATOM 543 O GLU A 35 -1.586 -1.762 3.606 1.00 0.00 O ATOM 544 CB GLU A 35 -1.067 -2.518 6.229 1.00 0.00 C ATOM 545 CG GLU A 35 -1.015 -2.983 7.675 1.00 0.00 C ATOM 546 CD GLU A 35 -2.120 -2.352 8.513 1.00 0.00 C ATOM 547 OE1 GLU A 35 -1.915 -1.247 9.070 1.00 0.00 O ATOM 548 OE2 GLU A 35 -3.212 -2.949 8.623 1.00 0.00 O ATOM 0 H GLU A 35 -0.822 -4.714 4.961 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.070 -3.248 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.108 -2.719 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.216 -1.439 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.107 -4.069 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.045 -2.730 8.103 1.00 0.00 H new ATOM 555 N VAL A 36 -3.707 -2.483 3.679 1.00 0.00 N ATOM 556 CA VAL A 36 -4.150 -1.738 2.512 1.00 0.00 C ATOM 557 C VAL A 36 -4.679 -0.366 2.907 1.00 0.00 C ATOM 558 O VAL A 36 -5.552 -0.248 3.778 1.00 0.00 O ATOM 559 CB VAL A 36 -5.189 -2.543 1.720 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.428 -3.465 0.766 1.00 0.00 C ATOM 561 CG2 VAL A 36 -6.138 -3.346 2.623 1.00 0.00 C ATOM 0 H VAL A 36 -4.434 -3.068 4.092 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.291 -1.576 1.860 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.828 -1.853 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.138 -4.054 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.816 -2.866 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.786 -4.133 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.850 -3.894 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.561 -4.049 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.677 -2.665 3.281 1.00 0.00 H new ATOM 571 N GLU A 37 -4.183 0.665 2.223 1.00 0.00 N ATOM 572 CA GLU A 37 -4.642 2.033 2.366 1.00 0.00 C ATOM 573 C GLU A 37 -4.845 2.587 0.961 1.00 0.00 C ATOM 574 O GLU A 37 -3.893 2.646 0.179 1.00 0.00 O ATOM 575 CB GLU A 37 -3.665 2.863 3.219 1.00 0.00 C ATOM 576 CG GLU A 37 -3.361 2.151 4.552 1.00 0.00 C ATOM 577 CD GLU A 37 -2.875 3.054 5.678 1.00 0.00 C ATOM 578 OE1 GLU A 37 -3.523 4.102 5.917 1.00 0.00 O ATOM 579 OE2 GLU A 37 -1.966 2.633 6.429 1.00 0.00 O ATOM 0 H GLU A 37 -3.433 0.562 1.539 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.588 2.080 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.739 3.023 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.092 3.846 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.263 1.638 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.607 1.385 4.372 1.00 0.00 H new ATOM 586 N TYR A 38 -6.085 2.938 0.607 1.00 0.00 N ATOM 587 CA TYR A 38 -6.357 3.652 -0.628 1.00 0.00 C ATOM 588 C TYR A 38 -6.406 5.135 -0.291 1.00 0.00 C ATOM 589 O TYR A 38 -7.475 5.689 -0.027 1.00 0.00 O ATOM 590 CB TYR A 38 -7.638 3.203 -1.337 1.00 0.00 C ATOM 591 CG TYR A 38 -7.828 3.838 -2.717 1.00 0.00 C ATOM 592 CD1 TYR A 38 -6.779 4.519 -3.383 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.099 3.791 -3.320 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.002 5.177 -4.598 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.332 4.443 -4.545 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.284 5.155 -5.174 1.00 0.00 C ATOM 597 OH TYR A 38 -8.496 5.831 -6.329 1.00 0.00 O ATOM 0 H TYR A 38 -6.914 2.735 1.166 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.561 3.430 -1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.623 2.118 -1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.496 3.450 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.791 4.531 -2.946 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.901 3.251 -2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.194 5.698 -5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.309 4.400 -5.004 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.452 5.822 -6.543 1.00 0.00 H new ATOM 607 N ILE A 39 -5.251 5.790 -0.305 1.00 0.00 N ATOM 608 CA ILE A 39 -5.172 7.212 -0.033 1.00 0.00 C ATOM 609 C ILE A 39 -5.298 7.936 -1.373 1.00 0.00 C ATOM 610 O ILE A 39 -4.326 8.415 -1.958 1.00 0.00 O ATOM 611 CB ILE A 39 -3.990 7.569 0.894 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.576 7.136 0.453 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.292 7.038 2.308 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.171 5.668 0.636 1.00 0.00 C ATOM 0 H ILE A 39 -4.352 5.351 -0.504 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.999 7.575 0.577 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.932 8.657 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.469 7.380 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.857 7.749 0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.464 7.284 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.207 7.498 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.419 5.956 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.151 5.525 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.226 5.404 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.848 5.030 0.067 1.00 0.00 H new ATOM 626 N ASN A 40 -6.545 7.964 -1.864 1.00 0.00 N ATOM 627 CA ASN A 40 -6.984 8.766 -2.999 1.00 0.00 C ATOM 628 C ASN A 40 -6.433 10.175 -2.807 1.00 0.00 C ATOM 629 O ASN A 40 -6.855 10.844 -1.865 1.00 0.00 O ATOM 630 CB ASN A 40 -8.522 8.771 -3.088 1.00 0.00 C ATOM 631 CG ASN A 40 -9.063 9.818 -4.062 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.489 9.492 -5.170 1.00 0.00 O ATOM 633 ND2 ASN A 40 -9.067 11.087 -3.690 1.00 0.00 N ATOM 0 H ASN A 40 -7.298 7.406 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.613 8.349 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.865 7.784 -3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.937 8.957 -2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.425 11.803 -4.323 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.713 11.350 -2.770 1.00 0.00 H new ATOM 640 N VAL A 41 -5.509 10.599 -3.673 1.00 0.00 N ATOM 641 CA VAL A 41 -4.788 11.863 -3.530 1.00 0.00 C ATOM 642 C VAL A 41 -5.763 13.011 -3.250 1.00 0.00 C ATOM 643 O VAL A 41 -6.702 13.234 -4.016 1.00 0.00 O ATOM 644 CB VAL A 41 -3.855 12.088 -4.739 1.00 0.00 C ATOM 645 CG1 VAL A 41 -3.532 13.554 -5.063 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.522 11.382 -4.444 1.00 0.00 C ATOM 0 H VAL A 41 -5.239 10.068 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.133 11.825 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.390 11.693 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.870 13.598 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.455 14.090 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.041 14.016 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.841 11.524 -5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.079 11.804 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.699 10.317 -4.297 1.00 0.00 H new ATOM 656 N MET A 42 -5.480 13.682 -2.131 1.00 0.00 N ATOM 657 CA MET A 42 -6.241 14.555 -1.240 1.00 0.00 C ATOM 658 C MET A 42 -5.874 14.084 0.183 1.00 0.00 C ATOM 659 O MET A 42 -5.129 13.115 0.329 1.00 0.00 O ATOM 660 CB MET A 42 -7.764 14.528 -1.489 1.00 0.00 C ATOM 661 CG MET A 42 -8.213 15.556 -2.539 1.00 0.00 C ATOM 662 SD MET A 42 -7.950 17.304 -2.116 1.00 0.00 S ATOM 663 CE MET A 42 -9.185 17.508 -0.803 1.00 0.00 C ATOM 0 H MET A 42 -4.530 13.605 -1.768 1.00 0.00 H new ATOM 0 HA MET A 42 -5.982 15.600 -1.411 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.057 13.530 -1.816 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.285 14.722 -0.551 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.687 15.346 -3.470 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.275 15.407 -2.732 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.503 18.550 -0.761 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.046 16.874 -1.012 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.749 17.223 0.154 1.00 0.00 H new ATOM 673 N GLU A 43 -6.352 14.802 1.204 1.00 0.00 N ATOM 674 CA GLU A 43 -6.532 14.409 2.608 1.00 0.00 C ATOM 675 C GLU A 43 -5.536 13.355 3.132 1.00 0.00 C ATOM 676 O GLU A 43 -5.914 12.312 3.669 1.00 0.00 O ATOM 677 CB GLU A 43 -8.013 14.021 2.799 1.00 0.00 C ATOM 678 CG GLU A 43 -8.923 15.263 2.725 1.00 0.00 C ATOM 679 CD GLU A 43 -10.296 14.945 2.125 1.00 0.00 C ATOM 680 OE1 GLU A 43 -10.397 15.032 0.879 1.00 0.00 O ATOM 681 OE2 GLU A 43 -11.225 14.658 2.908 1.00 0.00 O ATOM 0 H GLU A 43 -6.652 15.766 1.055 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.287 15.264 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.307 13.304 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.142 13.528 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.053 15.675 3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.436 16.032 2.125 1.00 0.00 H new ATOM 688 N ASN A 44 -4.234 13.637 3.023 1.00 0.00 N ATOM 689 CA ASN A 44 -3.182 12.805 3.607 1.00 0.00 C ATOM 690 C ASN A 44 -1.948 13.656 3.910 1.00 0.00 C ATOM 691 O ASN A 44 -1.756 14.678 3.246 1.00 0.00 O ATOM 692 CB ASN A 44 -2.824 11.643 2.652 1.00 0.00 C ATOM 693 CG ASN A 44 -3.017 10.293 3.325 1.00 0.00 C ATOM 694 OD1 ASN A 44 -2.098 9.482 3.387 1.00 0.00 O ATOM 695 ND2 ASN A 44 -4.201 10.027 3.850 1.00 0.00 N ATOM 0 H ASN A 44 -3.880 14.453 2.524 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.546 12.379 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.447 11.699 1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.789 11.744 2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.363 9.135 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.952 10.714 3.788 1.00 0.00 H new ATOM 702 N PRO A 45 -1.101 13.270 4.884 1.00 0.00 N ATOM 703 CA PRO A 45 0.121 14.001 5.183 1.00 0.00 C ATOM 704 C PRO A 45 1.169 13.790 4.082 1.00 0.00 C ATOM 705 O PRO A 45 1.014 12.954 3.187 1.00 0.00 O ATOM 706 CB PRO A 45 0.584 13.474 6.548 1.00 0.00 C ATOM 707 CG PRO A 45 0.055 12.043 6.581 1.00 0.00 C ATOM 708 CD PRO A 45 -1.245 12.126 5.779 1.00 0.00 C ATOM 0 HA PRO A 45 -0.038 15.079 5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.670 13.502 6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.179 14.070 7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.760 11.344 6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.124 11.704 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.413 11.209 5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.102 12.255 6.440 1.00 0.00 H new ATOM 716 N GLN A 46 2.285 14.515 4.184 1.00 0.00 N ATOM 717 CA GLN A 46 3.375 14.491 3.211 1.00 0.00 C ATOM 718 C GLN A 46 4.119 13.147 3.138 1.00 0.00 C ATOM 719 O GLN A 46 5.076 13.047 2.381 1.00 0.00 O ATOM 720 CB GLN A 46 4.363 15.645 3.476 1.00 0.00 C ATOM 721 CG GLN A 46 3.717 17.027 3.293 1.00 0.00 C ATOM 722 CD GLN A 46 4.731 18.155 3.461 1.00 0.00 C ATOM 723 OE1 GLN A 46 4.677 18.912 4.419 1.00 0.00 O ATOM 724 NE2 GLN A 46 5.673 18.302 2.542 1.00 0.00 N ATOM 0 H GLN A 46 2.458 15.149 4.964 1.00 0.00 H new ATOM 0 HA GLN A 46 2.908 14.626 2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.751 15.561 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.214 15.553 2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.266 17.089 2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.913 17.151 4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.712 17.666 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.360 19.051 2.631 1.00 0.00 H new ATOM 733 N LYS A 47 3.695 12.104 3.857 1.00 0.00 N ATOM 734 CA LYS A 47 4.413 10.836 3.962 1.00 0.00 C ATOM 735 C LYS A 47 4.732 10.169 2.622 1.00 0.00 C ATOM 736 O LYS A 47 5.660 9.376 2.529 1.00 0.00 O ATOM 737 CB LYS A 47 3.663 9.894 4.924 1.00 0.00 C ATOM 738 CG LYS A 47 2.678 8.865 4.339 1.00 0.00 C ATOM 739 CD LYS A 47 1.414 9.425 3.663 1.00 0.00 C ATOM 740 CE LYS A 47 0.644 8.292 2.973 1.00 0.00 C ATOM 741 NZ LYS A 47 -0.116 7.469 3.933 1.00 0.00 N ATOM 0 H LYS A 47 2.826 12.120 4.392 1.00 0.00 H new ATOM 0 HA LYS A 47 5.396 11.065 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.410 9.346 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.111 10.515 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.214 8.258 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.367 8.197 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.779 9.909 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.689 10.187 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.041 8.715 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.344 7.658 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.146 6.485 3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.347 7.505 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.086 7.836 4.014 1.00 0.00 H new ATOM 755 N ALA A 48 3.882 10.372 1.612 1.00 0.00 N ATOM 756 CA ALA A 48 4.157 10.010 0.229 1.00 0.00 C ATOM 757 C ALA A 48 4.799 11.137 -0.587 1.00 0.00 C ATOM 758 O ALA A 48 5.518 10.900 -1.553 1.00 0.00 O ATOM 759 CB ALA A 48 2.858 9.538 -0.403 1.00 0.00 C ATOM 0 H ALA A 48 2.966 10.802 1.741 1.00 0.00 H new ATOM 0 HA ALA A 48 4.898 9.211 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.038 9.261 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.481 8.674 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.122 10.341 -0.365 1.00 0.00 H new ATOM 765 N MET A 49 4.472 12.381 -0.254 1.00 0.00 N ATOM 766 CA MET A 49 4.933 13.575 -0.955 1.00 0.00 C ATOM 767 C MET A 49 6.433 13.826 -0.734 1.00 0.00 C ATOM 768 O MET A 49 7.025 14.607 -1.470 1.00 0.00 O ATOM 769 CB MET A 49 4.133 14.810 -0.512 1.00 0.00 C ATOM 770 CG MET A 49 2.611 14.626 -0.575 1.00 0.00 C ATOM 771 SD MET A 49 1.681 16.049 0.063 1.00 0.00 S ATOM 772 CE MET A 49 0.045 15.303 0.305 1.00 0.00 C ATOM 0 H MET A 49 3.861 12.593 0.535 1.00 0.00 H new ATOM 0 HA MET A 49 4.770 13.402 -2.019 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.415 15.065 0.509 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.412 15.655 -1.141 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.318 14.445 -1.609 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.337 13.738 -0.005 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.643 16.053 0.695 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.329 14.929 -0.648 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.122 14.478 1.014 1.00 0.00 H new ATOM 782 N GLU A 50 7.037 13.195 0.274 1.00 0.00 N ATOM 783 CA GLU A 50 8.468 13.238 0.548 1.00 0.00 C ATOM 784 C GLU A 50 9.293 12.464 -0.497 1.00 0.00 C ATOM 785 O GLU A 50 10.509 12.643 -0.569 1.00 0.00 O ATOM 786 CB GLU A 50 8.723 12.678 1.964 1.00 0.00 C ATOM 787 CG GLU A 50 8.434 11.167 2.074 1.00 0.00 C ATOM 788 CD GLU A 50 8.457 10.638 3.514 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.862 11.274 4.413 1.00 0.00 O ATOM 790 OE2 GLU A 50 9.013 9.537 3.745 1.00 0.00 O ATOM 0 H GLU A 50 6.523 12.621 0.943 1.00 0.00 H new ATOM 0 HA GLU A 50 8.794 14.276 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.760 12.865 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.100 13.215 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.458 10.960 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.170 10.621 1.484 1.00 0.00 H new ATOM 797 N TYR A 51 8.662 11.568 -1.265 1.00 0.00 N ATOM 798 CA TYR A 51 9.366 10.629 -2.125 1.00 0.00 C ATOM 799 C TYR A 51 9.961 11.326 -3.355 1.00 0.00 C ATOM 800 O TYR A 51 9.462 12.350 -3.828 1.00 0.00 O ATOM 801 CB TYR A 51 8.399 9.514 -2.554 1.00 0.00 C ATOM 802 CG TYR A 51 7.862 8.598 -1.461 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.650 8.203 -0.362 1.00 0.00 C ATOM 804 CD2 TYR A 51 6.562 8.076 -1.594 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.121 7.332 0.607 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.036 7.173 -0.654 1.00 0.00 C ATOM 807 CZ TYR A 51 6.813 6.816 0.471 1.00 0.00 C ATOM 808 OH TYR A 51 6.322 5.968 1.416 1.00 0.00 O ATOM 0 H TYR A 51 7.647 11.479 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 51 10.196 10.200 -1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.549 9.978 -3.053 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.905 8.895 -3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.661 8.569 -0.264 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.956 8.376 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.720 7.055 1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.049 6.757 -0.790 1.00 0.00 H new ATOM 0 HH TYR A 51 5.409 5.704 1.176 1.00 0.00 H new ATOM 818 N GLY A 52 10.996 10.710 -3.933 1.00 0.00 N ATOM 819 CA GLY A 52 11.642 11.151 -5.163 1.00 0.00 C ATOM 820 C GLY A 52 10.611 11.315 -6.280 1.00 0.00 C ATOM 821 O GLY A 52 9.911 10.356 -6.602 1.00 0.00 O ATOM 0 H GLY A 52 11.417 9.866 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.155 12.097 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 52 12.400 10.427 -5.463 1.00 0.00 H new ATOM 825 N ILE A 53 10.501 12.531 -6.840 1.00 0.00 N ATOM 826 CA ILE A 53 9.506 12.987 -7.832 1.00 0.00 C ATOM 827 C ILE A 53 8.052 12.620 -7.472 1.00 0.00 C ATOM 828 O ILE A 53 7.164 12.615 -8.326 1.00 0.00 O ATOM 829 CB ILE A 53 9.903 12.584 -9.276 1.00 0.00 C ATOM 830 CG1 ILE A 53 9.734 11.072 -9.551 1.00 0.00 C ATOM 831 CG2 ILE A 53 11.334 13.064 -9.598 1.00 0.00 C ATOM 832 CD1 ILE A 53 9.830 10.697 -11.035 1.00 0.00 C ATOM 0 H ILE A 53 11.151 13.278 -6.595 1.00 0.00 H new ATOM 0 HA ILE A 53 9.524 14.076 -7.797 1.00 0.00 H new ATOM 0 HB ILE A 53 9.209 13.087 -9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.497 10.524 -8.998 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.767 10.748 -9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.595 12.772 -10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.383 14.149 -9.508 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.036 12.610 -8.899 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.702 9.620 -11.147 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.050 11.216 -11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.807 10.988 -11.421 1.00 0.00 H new ATOM 844 N MET A 54 7.824 12.265 -6.213 1.00 0.00 N ATOM 845 CA MET A 54 6.702 11.536 -5.662 1.00 0.00 C ATOM 846 C MET A 54 6.301 10.254 -6.402 1.00 0.00 C ATOM 847 O MET A 54 5.312 9.646 -6.007 1.00 0.00 O ATOM 848 CB MET A 54 5.509 12.461 -5.365 1.00 0.00 C ATOM 849 CG MET A 54 5.873 13.745 -4.602 1.00 0.00 C ATOM 850 SD MET A 54 6.585 15.132 -5.548 1.00 0.00 S ATOM 851 CE MET A 54 5.317 15.405 -6.815 1.00 0.00 C ATOM 0 H MET A 54 8.493 12.509 -5.483 1.00 0.00 H new ATOM 0 HA MET A 54 7.073 11.154 -4.711 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.035 12.735 -6.307 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.771 11.906 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.971 14.106 -4.108 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.581 13.478 -3.818 1.00 0.00 H new ATOM 0 HE1 MET A 54 5.448 16.394 -7.253 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.412 14.648 -7.593 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.328 15.337 -6.361 1.00 0.00 H new ATOM 861 N ALA A 55 7.057 9.791 -7.403 1.00 0.00 N ATOM 862 CA ALA A 55 6.830 8.569 -8.179 1.00 0.00 C ATOM 863 C ALA A 55 5.345 8.338 -8.518 1.00 0.00 C ATOM 864 O ALA A 55 4.822 7.258 -8.278 1.00 0.00 O ATOM 865 CB ALA A 55 7.469 7.397 -7.417 1.00 0.00 C ATOM 0 H ALA A 55 7.892 10.289 -7.711 1.00 0.00 H new ATOM 0 HA ALA A 55 7.306 8.664 -9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.314 6.473 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.538 7.577 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.009 7.309 -6.433 1.00 0.00 H new ATOM 871 N VAL A 56 4.627 9.360 -8.993 1.00 0.00 N ATOM 872 CA VAL A 56 3.174 9.287 -9.186 1.00 0.00 C ATOM 873 C VAL A 56 2.853 8.408 -10.416 1.00 0.00 C ATOM 874 O VAL A 56 3.458 8.652 -11.462 1.00 0.00 O ATOM 875 CB VAL A 56 2.589 10.711 -9.322 1.00 0.00 C ATOM 876 CG1 VAL A 56 1.053 10.690 -9.243 1.00 0.00 C ATOM 877 CG2 VAL A 56 3.101 11.666 -8.228 1.00 0.00 C ATOM 0 H VAL A 56 5.034 10.258 -9.254 1.00 0.00 H new ATOM 0 HA VAL A 56 2.708 8.822 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 56 2.919 11.072 -10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.670 11.706 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.656 10.072 -10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.744 10.277 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.659 12.652 -8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.820 11.280 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.187 11.742 -8.290 1.00 0.00 H new ATOM 887 N PRO A 57 1.883 7.462 -10.380 1.00 0.00 N ATOM 888 CA PRO A 57 1.069 7.046 -9.238 1.00 0.00 C ATOM 889 C PRO A 57 1.919 6.342 -8.190 1.00 0.00 C ATOM 890 O PRO A 57 2.541 5.334 -8.478 1.00 0.00 O ATOM 891 CB PRO A 57 0.023 6.069 -9.788 1.00 0.00 C ATOM 892 CG PRO A 57 0.676 5.504 -11.032 1.00 0.00 C ATOM 893 CD PRO A 57 1.520 6.668 -11.548 1.00 0.00 C ATOM 0 HA PRO A 57 0.610 7.911 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.210 5.285 -9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.913 6.575 -10.022 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.290 4.633 -10.803 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.065 5.188 -11.767 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.410 6.305 -12.063 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.959 7.267 -12.266 1.00 0.00 H new ATOM 901 N THR A 58 1.915 6.849 -6.972 1.00 0.00 N ATOM 902 CA THR A 58 2.831 6.475 -5.918 1.00 0.00 C ATOM 903 C THR A 58 2.277 5.205 -5.280 1.00 0.00 C ATOM 904 O THR A 58 1.134 5.241 -4.806 1.00 0.00 O ATOM 905 CB THR A 58 2.808 7.678 -4.966 1.00 0.00 C ATOM 906 OG1 THR A 58 2.865 8.909 -5.669 1.00 0.00 O ATOM 907 CG2 THR A 58 3.832 7.692 -3.847 1.00 0.00 C ATOM 0 H THR A 58 1.245 7.561 -6.681 1.00 0.00 H new ATOM 0 HA THR A 58 3.853 6.263 -6.231 1.00 0.00 H new ATOM 0 HB THR A 58 1.846 7.556 -4.468 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.799 9.191 -5.760 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.706 8.595 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.691 6.816 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.836 7.675 -4.272 1.00 0.00 H new ATOM 915 N ILE A 59 3.002 4.072 -5.265 1.00 0.00 N ATOM 916 CA ILE A 59 2.472 2.906 -4.563 1.00 0.00 C ATOM 917 C ILE A 59 3.524 2.444 -3.558 1.00 0.00 C ATOM 918 O ILE A 59 4.717 2.608 -3.805 1.00 0.00 O ATOM 919 CB ILE A 59 2.017 1.816 -5.569 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.240 2.343 -6.807 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.165 0.747 -4.854 1.00 0.00 C ATOM 922 CD1 ILE A 59 2.143 2.467 -8.036 1.00 0.00 C ATOM 0 H ILE A 59 3.911 3.946 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 59 1.570 3.152 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 59 2.944 1.390 -5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.413 1.669 -7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.805 3.316 -6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.853 -0.011 -5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.755 0.279 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.284 1.217 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.561 2.839 -8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.955 3.161 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.557 1.489 -8.284 1.00 0.00 H new ATOM 934 N VAL A 60 3.135 1.759 -2.486 1.00 0.00 N ATOM 935 CA VAL A 60 4.059 0.970 -1.673 1.00 0.00 C ATOM 936 C VAL A 60 3.522 -0.458 -1.630 1.00 0.00 C ATOM 937 O VAL A 60 2.301 -0.629 -1.593 1.00 0.00 O ATOM 938 CB VAL A 60 4.410 1.620 -0.308 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.321 3.158 -0.341 1.00 0.00 C ATOM 940 CG2 VAL A 60 3.652 1.025 0.887 1.00 0.00 C ATOM 0 H VAL A 60 2.170 1.735 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 60 5.047 0.940 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 60 5.456 1.362 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.577 3.558 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.017 3.547 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.306 3.458 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.956 1.535 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.580 1.154 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.881 -0.037 0.971 1.00 0.00 H new ATOM 950 N ILE A 61 4.424 -1.440 -1.738 1.00 0.00 N ATOM 951 CA ILE A 61 4.210 -2.889 -1.599 1.00 0.00 C ATOM 952 C ILE A 61 5.341 -3.411 -0.710 1.00 0.00 C ATOM 953 O ILE A 61 6.379 -2.760 -0.665 1.00 0.00 O ATOM 954 CB ILE A 61 4.200 -3.604 -2.973 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.484 -3.415 -3.821 1.00 0.00 C ATOM 956 CG2 ILE A 61 2.945 -3.177 -3.759 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.615 -4.410 -3.527 1.00 0.00 C ATOM 0 H ILE A 61 5.401 -1.227 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 61 3.236 -3.091 -1.154 1.00 0.00 H new ATOM 0 HB ILE A 61 4.175 -4.673 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.218 -3.493 -4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.860 -2.405 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.934 -3.678 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.053 -3.453 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.960 -2.098 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.467 -4.193 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.917 -4.320 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.265 -5.425 -3.717 1.00 0.00 H new ATOM 969 N ASN A 62 5.211 -4.578 -0.068 1.00 0.00 N ATOM 970 CA ASN A 62 6.002 -4.978 1.117 1.00 0.00 C ATOM 971 C ASN A 62 6.247 -3.792 2.065 1.00 0.00 C ATOM 972 O ASN A 62 5.412 -3.572 2.938 1.00 0.00 O ATOM 973 CB ASN A 62 7.261 -5.780 0.758 1.00 0.00 C ATOM 974 CG ASN A 62 6.932 -7.192 0.283 1.00 0.00 C ATOM 975 OD1 ASN A 62 6.837 -7.454 -0.911 1.00 0.00 O ATOM 976 ND2 ASN A 62 6.738 -8.145 1.186 1.00 0.00 N ATOM 0 H ASN A 62 4.541 -5.290 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 62 5.397 -5.684 1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.813 -5.256 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.915 -5.835 1.629 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.510 -9.093 0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.817 -7.929 2.180 1.00 0.00 H new ATOM 983 N GLY A 63 7.325 -3.017 1.901 1.00 0.00 N ATOM 984 CA GLY A 63 7.481 -1.690 2.502 1.00 0.00 C ATOM 985 C GLY A 63 8.019 -0.629 1.527 1.00 0.00 C ATOM 986 O GLY A 63 8.277 0.504 1.940 1.00 0.00 O ATOM 0 H GLY A 63 8.126 -3.300 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.517 -1.360 2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.157 -1.764 3.354 1.00 0.00 H new ATOM 990 N ASP A 64 8.223 -0.988 0.258 1.00 0.00 N ATOM 991 CA ASP A 64 8.940 -0.268 -0.789 1.00 0.00 C ATOM 992 C ASP A 64 8.015 0.674 -1.543 1.00 0.00 C ATOM 993 O ASP A 64 7.112 0.216 -2.260 1.00 0.00 O ATOM 994 CB ASP A 64 9.505 -1.256 -1.823 1.00 0.00 C ATOM 995 CG ASP A 64 10.859 -1.792 -1.411 1.00 0.00 C ATOM 996 OD1 ASP A 64 10.916 -2.603 -0.456 1.00 0.00 O ATOM 997 OD2 ASP A 64 11.871 -1.432 -2.057 1.00 0.00 O ATOM 0 H ASP A 64 7.855 -1.873 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 64 9.736 0.293 -0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.810 -2.086 -1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.590 -0.760 -2.790 1.00 0.00 H new ATOM 1002 N VAL A 65 8.286 1.979 -1.448 1.00 0.00 N ATOM 1003 CA VAL A 65 7.801 2.939 -2.427 1.00 0.00 C ATOM 1004 C VAL A 65 8.332 2.500 -3.791 1.00 0.00 C ATOM 1005 O VAL A 65 9.522 2.225 -3.945 1.00 0.00 O ATOM 1006 CB VAL A 65 8.172 4.393 -2.055 1.00 0.00 C ATOM 1007 CG1 VAL A 65 9.676 4.670 -1.890 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.598 5.361 -3.104 1.00 0.00 C ATOM 0 H VAL A 65 8.841 2.390 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 65 6.711 2.947 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 65 7.732 4.551 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.827 5.718 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.078 4.038 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.191 4.451 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.862 6.384 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.012 5.123 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.513 5.262 -3.135 1.00 0.00 H new ATOM 1018 N GLU A 66 7.433 2.379 -4.761 1.00 0.00 N ATOM 1019 CA GLU A 66 7.736 2.042 -6.141 1.00 0.00 C ATOM 1020 C GLU A 66 6.522 2.489 -6.975 1.00 0.00 C ATOM 1021 O GLU A 66 5.410 2.657 -6.441 1.00 0.00 O ATOM 1022 CB GLU A 66 7.984 0.512 -6.259 1.00 0.00 C ATOM 1023 CG GLU A 66 9.387 0.085 -6.687 1.00 0.00 C ATOM 1024 CD GLU A 66 9.650 0.365 -8.162 1.00 0.00 C ATOM 1025 OE1 GLU A 66 9.563 1.554 -8.535 1.00 0.00 O ATOM 1026 OE2 GLU A 66 9.956 -0.602 -8.903 1.00 0.00 O ATOM 0 H GLU A 66 6.436 2.519 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 66 8.638 2.539 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.767 0.055 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.269 0.104 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.125 0.611 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.516 -0.980 -6.493 1.00 0.00 H new ATOM 1033 N PHE A 67 6.697 2.578 -8.287 1.00 0.00 N ATOM 1034 CA PHE A 67 5.607 2.752 -9.237 1.00 0.00 C ATOM 1035 C PHE A 67 5.999 2.117 -10.552 1.00 0.00 C ATOM 1036 O PHE A 67 7.185 1.975 -10.838 1.00 0.00 O ATOM 1037 CB PHE A 67 5.239 4.225 -9.422 1.00 0.00 C ATOM 1038 CG PHE A 67 6.132 5.102 -10.297 1.00 0.00 C ATOM 1039 CD1 PHE A 67 7.541 5.045 -10.245 1.00 0.00 C ATOM 1040 CD2 PHE A 67 5.522 6.029 -11.162 1.00 0.00 C ATOM 1041 CE1 PHE A 67 8.318 5.911 -11.037 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.294 6.900 -11.948 1.00 0.00 C ATOM 1043 CZ PHE A 67 7.696 6.841 -11.887 1.00 0.00 C ATOM 0 H PHE A 67 7.616 2.530 -8.728 1.00 0.00 H new ATOM 0 HA PHE A 67 4.717 2.260 -8.844 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.231 4.264 -9.835 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.196 4.681 -8.433 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.026 4.333 -9.594 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.445 6.071 -11.222 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.396 5.861 -10.991 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.810 7.614 -12.598 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.294 7.508 -12.491 1.00 0.00 H new ATOM 1053 N ILE A 68 5.009 1.694 -11.338 1.00 0.00 N ATOM 1054 CA ILE A 68 5.295 0.979 -12.563 1.00 0.00 C ATOM 1055 C ILE A 68 4.421 1.540 -13.675 1.00 0.00 C ATOM 1056 O ILE A 68 3.388 0.972 -14.030 1.00 0.00 O ATOM 1057 CB ILE A 68 5.189 -0.552 -12.390 1.00 0.00 C ATOM 1058 CG1 ILE A 68 5.742 -1.123 -11.053 1.00 0.00 C ATOM 1059 CG2 ILE A 68 5.869 -1.137 -13.652 1.00 0.00 C ATOM 1060 CD1 ILE A 68 7.235 -1.446 -11.065 1.00 0.00 C ATOM 0 H ILE A 68 4.018 1.836 -11.145 1.00 0.00 H new ATOM 0 HA ILE A 68 6.336 1.138 -12.845 1.00 0.00 H new ATOM 0 HB ILE A 68 4.144 -0.850 -12.308 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.546 -0.403 -10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.190 -2.030 -10.805 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.838 -2.226 -13.610 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.342 -0.793 -14.542 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.906 -0.805 -13.693 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.530 -1.838 -10.092 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.440 -2.191 -11.834 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.802 -0.540 -11.278 1.00 0.00 H new ATOM 1072 N GLY A 69 4.881 2.639 -14.262 1.00 0.00 N ATOM 1073 CA GLY A 69 4.231 3.213 -15.419 1.00 0.00 C ATOM 1074 C GLY A 69 3.086 4.134 -15.000 1.00 0.00 C ATOM 1075 O GLY A 69 3.001 4.567 -13.855 1.00 0.00 O ATOM 0 H GLY A 69 5.707 3.148 -13.948 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.957 3.773 -16.008 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.848 2.417 -16.058 1.00 0.00 H new ATOM 1079 N ALA A 70 2.216 4.455 -15.961 1.00 0.00 N ATOM 1080 CA ALA A 70 0.974 5.172 -15.706 1.00 0.00 C ATOM 1081 C ALA A 70 -0.057 4.421 -14.834 1.00 0.00 C ATOM 1082 O ALA A 70 -0.831 5.119 -14.175 1.00 0.00 O ATOM 1083 CB ALA A 70 0.339 5.569 -17.045 1.00 0.00 C ATOM 0 H ALA A 70 2.359 4.221 -16.943 1.00 0.00 H new ATOM 0 HA ALA A 70 1.252 6.047 -15.118 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.591 6.106 -16.861 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.026 6.211 -17.597 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.131 4.672 -17.629 1.00 0.00 H new ATOM 1089 N PRO A 71 -0.182 3.073 -14.832 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.117 2.414 -13.926 1.00 0.00 C ATOM 1091 C PRO A 71 -0.550 2.371 -12.503 1.00 0.00 C ATOM 1092 O PRO A 71 0.634 2.607 -12.268 1.00 0.00 O ATOM 1093 CB PRO A 71 -1.317 1.006 -14.499 1.00 0.00 C ATOM 1094 CG PRO A 71 0.038 0.708 -15.129 1.00 0.00 C ATOM 1095 CD PRO A 71 0.465 2.069 -15.674 1.00 0.00 C ATOM 0 HA PRO A 71 -2.065 2.947 -13.855 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.570 0.284 -13.722 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.121 0.978 -15.235 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.749 0.324 -14.397 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.039 -0.038 -15.920 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.549 2.177 -15.643 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.163 2.182 -16.715 1.00 0.00 H new ATOM 1103 N THR A 72 -1.392 2.004 -11.538 1.00 0.00 N ATOM 1104 CA THR A 72 -0.932 1.590 -10.219 1.00 0.00 C ATOM 1105 C THR A 72 -0.117 0.280 -10.343 1.00 0.00 C ATOM 1106 O THR A 72 0.082 -0.240 -11.440 1.00 0.00 O ATOM 1107 CB THR A 72 -2.154 1.508 -9.288 1.00 0.00 C ATOM 1108 OG1 THR A 72 -3.269 0.892 -9.911 1.00 0.00 O ATOM 1109 CG2 THR A 72 -2.582 2.928 -8.900 1.00 0.00 C ATOM 0 H THR A 72 -2.406 1.986 -11.650 1.00 0.00 H new ATOM 0 HA THR A 72 -0.248 2.312 -9.773 1.00 0.00 H new ATOM 0 HB THR A 72 -1.858 0.913 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.020 0.861 -9.282 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.448 2.879 -8.240 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.761 3.428 -8.386 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.842 3.488 -9.798 1.00 0.00 H new ATOM 1117 N LYS A 73 0.359 -0.299 -9.231 1.00 0.00 N ATOM 1118 CA LYS A 73 1.488 -1.240 -9.245 1.00 0.00 C ATOM 1119 C LYS A 73 1.212 -2.645 -9.810 1.00 0.00 C ATOM 1120 O LYS A 73 1.946 -3.564 -9.467 1.00 0.00 O ATOM 1121 CB LYS A 73 2.094 -1.315 -7.834 1.00 0.00 C ATOM 1122 CG LYS A 73 3.565 -1.758 -7.889 1.00 0.00 C ATOM 1123 CD LYS A 73 4.575 -0.785 -7.289 1.00 0.00 C ATOM 1124 CE LYS A 73 4.398 -0.797 -5.760 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.248 0.161 -5.024 1.00 0.00 N ATOM 0 H LYS A 73 -0.025 -0.129 -8.302 1.00 0.00 H new ATOM 0 HA LYS A 73 2.197 -0.828 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.022 -0.340 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.522 -2.015 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.657 -2.713 -7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.833 -1.934 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.590 -1.077 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.417 0.219 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.354 -0.585 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.608 -1.802 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.783 0.423 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.169 -0.278 -4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.391 1.013 -5.602 1.00 0.00 H new ATOM 1139 N GLU A 74 0.191 -2.854 -10.634 1.00 0.00 N ATOM 1140 CA GLU A 74 -0.210 -4.163 -11.148 1.00 0.00 C ATOM 1141 C GLU A 74 0.973 -4.932 -11.765 1.00 0.00 C ATOM 1142 O GLU A 74 1.157 -6.116 -11.500 1.00 0.00 O ATOM 1143 CB GLU A 74 -1.379 -3.966 -12.117 1.00 0.00 C ATOM 1144 CG GLU A 74 -2.036 -5.302 -12.470 1.00 0.00 C ATOM 1145 CD GLU A 74 -3.464 -5.099 -12.973 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -4.358 -4.887 -12.120 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -3.702 -5.244 -14.185 1.00 0.00 O ATOM 0 H GLU A 74 -0.400 -2.095 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.546 -4.795 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.118 -3.301 -11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.023 -3.481 -13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.447 -5.809 -13.234 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.045 -5.949 -11.593 1.00 0.00 H new ATOM 1154 N ALA A 75 1.849 -4.243 -12.499 1.00 0.00 N ATOM 1155 CA ALA A 75 3.039 -4.843 -13.094 1.00 0.00 C ATOM 1156 C ALA A 75 3.985 -5.473 -12.063 1.00 0.00 C ATOM 1157 O ALA A 75 4.547 -6.534 -12.326 1.00 0.00 O ATOM 1158 CB ALA A 75 3.788 -3.762 -13.862 1.00 0.00 C ATOM 0 H ALA A 75 1.750 -3.247 -12.697 1.00 0.00 H new ATOM 0 HA ALA A 75 2.706 -5.650 -13.747 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.682 -4.191 -14.315 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.144 -3.358 -14.643 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.075 -2.963 -13.179 1.00 0.00 H new ATOM 1164 N LEU A 76 4.222 -4.829 -10.913 1.00 0.00 N ATOM 1165 CA LEU A 76 5.020 -5.451 -9.847 1.00 0.00 C ATOM 1166 C LEU A 76 4.142 -6.381 -9.012 1.00 0.00 C ATOM 1167 O LEU A 76 4.675 -7.296 -8.406 1.00 0.00 O ATOM 1168 CB LEU A 76 5.718 -4.395 -8.972 1.00 0.00 C ATOM 1169 CG LEU A 76 6.968 -4.772 -8.146 1.00 0.00 C ATOM 1170 CD1 LEU A 76 6.715 -5.571 -6.867 1.00 0.00 C ATOM 1171 CD2 LEU A 76 8.043 -5.468 -8.975 1.00 0.00 C ATOM 0 H LEU A 76 3.879 -3.893 -10.698 1.00 0.00 H new ATOM 0 HA LEU A 76 5.808 -6.045 -10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.000 -3.569 -9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.974 -4.010 -8.275 1.00 0.00 H new ATOM 0 HG LEU A 76 7.327 -3.794 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.664 -5.777 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.075 -4.995 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.225 -6.512 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.895 -5.707 -8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.638 -6.387 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.366 -4.808 -9.780 1.00 0.00 H new ATOM 1183 N VAL A 77 2.818 -6.217 -8.986 1.00 0.00 N ATOM 1184 CA VAL A 77 1.917 -7.165 -8.336 1.00 0.00 C ATOM 1185 C VAL A 77 2.107 -8.558 -8.953 1.00 0.00 C ATOM 1186 O VAL A 77 2.271 -9.516 -8.203 1.00 0.00 O ATOM 1187 CB VAL A 77 0.468 -6.613 -8.297 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.600 -7.421 -9.046 1.00 0.00 C ATOM 1189 CG2 VAL A 77 0.011 -6.421 -6.845 1.00 0.00 C ATOM 0 H VAL A 77 2.342 -5.423 -9.415 1.00 0.00 H new ATOM 0 HA VAL A 77 2.165 -7.290 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 77 0.542 -5.669 -8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.568 -6.930 -8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.336 -7.482 -10.102 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.656 -8.426 -8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.008 -6.033 -6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.041 -7.378 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.674 -5.715 -6.345 1.00 0.00 H new ATOM 1199 N GLU A 78 2.265 -8.663 -10.276 1.00 0.00 N ATOM 1200 CA GLU A 78 2.609 -9.918 -10.950 1.00 0.00 C ATOM 1201 C GLU A 78 3.919 -10.524 -10.411 1.00 0.00 C ATOM 1202 O GLU A 78 4.109 -11.740 -10.474 1.00 0.00 O ATOM 1203 CB GLU A 78 2.655 -9.652 -12.463 1.00 0.00 C ATOM 1204 CG GLU A 78 2.839 -10.902 -13.342 1.00 0.00 C ATOM 1205 CD GLU A 78 4.297 -11.310 -13.575 1.00 0.00 C ATOM 1206 OE1 GLU A 78 5.119 -10.451 -13.976 1.00 0.00 O ATOM 1207 OE2 GLU A 78 4.618 -12.517 -13.493 1.00 0.00 O ATOM 0 H GLU A 78 2.157 -7.874 -10.913 1.00 0.00 H new ATOM 0 HA GLU A 78 1.847 -10.669 -10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.731 -9.154 -12.757 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.471 -8.959 -12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.312 -11.736 -12.879 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.367 -10.723 -14.308 1.00 0.00 H new ATOM 1214 N ALA A 79 4.798 -9.709 -9.816 1.00 0.00 N ATOM 1215 CA ALA A 79 5.955 -10.173 -9.077 1.00 0.00 C ATOM 1216 C ALA A 79 5.583 -10.517 -7.625 1.00 0.00 C ATOM 1217 O ALA A 79 5.939 -11.607 -7.188 1.00 0.00 O ATOM 1218 CB ALA A 79 7.111 -9.176 -9.165 1.00 0.00 C ATOM 0 H ALA A 79 4.715 -8.693 -9.841 1.00 0.00 H new ATOM 0 HA ALA A 79 6.305 -11.095 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.962 -9.555 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.398 -9.043 -10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.798 -8.218 -8.750 1.00 0.00 H new ATOM 1224 N ILE A 80 4.889 -9.657 -6.857 1.00 0.00 N ATOM 1225 CA ILE A 80 4.543 -9.937 -5.458 1.00 0.00 C ATOM 1226 C ILE A 80 3.839 -11.290 -5.333 1.00 0.00 C ATOM 1227 O ILE A 80 4.112 -12.025 -4.381 1.00 0.00 O ATOM 1228 CB ILE A 80 3.764 -8.783 -4.759 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.217 -8.783 -4.913 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.343 -7.396 -5.071 1.00 0.00 C ATOM 1231 CD1 ILE A 80 1.493 -9.611 -3.845 1.00 0.00 C ATOM 0 H ILE A 80 4.555 -8.753 -7.190 1.00 0.00 H new ATOM 0 HA ILE A 80 5.483 -9.998 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 80 3.929 -9.011 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.856 -7.755 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.958 -9.171 -5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.759 -6.634 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.378 -7.349 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.304 -7.219 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.417 -9.565 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.825 -10.648 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.721 -9.210 -2.857 1.00 0.00 H new ATOM 1243 N LYS A 81 2.966 -11.636 -6.287 1.00 0.00 N ATOM 1244 CA LYS A 81 2.239 -12.899 -6.272 1.00 0.00 C ATOM 1245 C LYS A 81 3.161 -14.088 -6.502 1.00 0.00 C ATOM 1246 O LYS A 81 3.065 -15.073 -5.771 1.00 0.00 O ATOM 1247 CB LYS A 81 1.036 -12.875 -7.234 1.00 0.00 C ATOM 1248 CG LYS A 81 1.341 -12.441 -8.677 1.00 0.00 C ATOM 1249 CD LYS A 81 0.699 -13.307 -9.760 1.00 0.00 C ATOM 1250 CE LYS A 81 1.357 -14.692 -9.809 1.00 0.00 C ATOM 1251 NZ LYS A 81 0.413 -15.742 -10.234 1.00 0.00 N ATOM 0 H LYS A 81 2.748 -11.044 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 81 1.827 -13.028 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.596 -13.872 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.281 -12.204 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.006 -11.412 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.421 -12.446 -8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.368 -13.413 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.797 -12.818 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.203 -14.666 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.754 -14.939 -8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.901 -16.660 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.382 -15.786 -9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.054 -15.522 -11.185 1.00 0.00 H new ATOM 1265 N LYS A 82 4.040 -14.048 -7.513 1.00 0.00 N ATOM 1266 CA LYS A 82 4.929 -15.182 -7.795 1.00 0.00 C ATOM 1267 C LYS A 82 6.063 -15.288 -6.790 1.00 0.00 C ATOM 1268 O LYS A 82 6.673 -16.347 -6.676 1.00 0.00 O ATOM 1269 CB LYS A 82 5.462 -15.148 -9.237 1.00 0.00 C ATOM 1270 CG LYS A 82 6.419 -13.992 -9.564 1.00 0.00 C ATOM 1271 CD LYS A 82 7.890 -14.194 -9.151 1.00 0.00 C ATOM 1272 CE LYS A 82 8.730 -13.088 -9.790 1.00 0.00 C ATOM 1273 NZ LYS A 82 10.173 -13.209 -9.503 1.00 0.00 N ATOM 0 H LYS A 82 4.154 -13.253 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 82 4.323 -16.082 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.975 -16.088 -9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.613 -15.096 -9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.386 -13.812 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.047 -13.090 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.986 -14.163 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.243 -15.173 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.579 -13.105 -10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.376 -12.121 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.685 -12.430 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.328 -13.165 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.524 -14.118 -9.867 1.00 0.00 H new ATOM 1287 N ARG A 83 6.397 -14.202 -6.092 1.00 0.00 N ATOM 1288 CA ARG A 83 7.476 -14.169 -5.109 1.00 0.00 C ATOM 1289 C ARG A 83 7.126 -14.961 -3.843 1.00 0.00 C ATOM 1290 O ARG A 83 7.979 -15.063 -2.961 1.00 0.00 O ATOM 1291 CB ARG A 83 7.808 -12.707 -4.770 1.00 0.00 C ATOM 1292 CG ARG A 83 8.661 -11.983 -5.825 1.00 0.00 C ATOM 1293 CD ARG A 83 8.554 -10.450 -5.701 1.00 0.00 C ATOM 1294 NE ARG A 83 9.798 -9.808 -5.259 1.00 0.00 N ATOM 1295 CZ ARG A 83 10.265 -9.753 -4.006 1.00 0.00 C ATOM 1296 NH1 ARG A 83 9.641 -10.384 -3.020 1.00 0.00 N ATOM 1297 NH2 ARG A 83 11.373 -9.078 -3.737 1.00 0.00 N ATOM 0 H ARG A 83 5.917 -13.308 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 83 8.352 -14.650 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.876 -12.158 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.334 -12.679 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.703 -12.284 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.342 -12.289 -6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.264 -10.035 -6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.759 -10.205 -4.997 1.00 0.00 H new ATOM 0 HE ARG A 83 10.363 -9.359 -5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.794 -10.919 -3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.008 -10.334 -2.070 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.873 -8.598 -4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.726 -9.038 -2.781 1.00 0.00 H new ATOM 1311 N LEU A 84 5.912 -15.504 -3.707 1.00 0.00 N ATOM 1312 CA LEU A 84 5.446 -16.217 -2.521 1.00 0.00 C ATOM 1313 C LEU A 84 5.061 -17.634 -2.900 1.00 0.00 C ATOM 1314 O LEU A 84 4.987 -18.499 -1.998 1.00 0.00 O ATOM 1315 CB LEU A 84 4.274 -15.437 -1.901 1.00 0.00 C ATOM 1316 CG LEU A 84 3.908 -15.885 -0.476 1.00 0.00 C ATOM 1317 CD1 LEU A 84 5.076 -15.710 0.502 1.00 0.00 C ATOM 1318 CD2 LEU A 84 2.730 -15.056 0.029 1.00 0.00 C ATOM 1319 OXT LEU A 84 4.900 -17.919 -4.103 1.00 0.00 O ATOM 0 H LEU A 84 5.208 -15.456 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 84 6.236 -16.286 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.525 -14.377 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.399 -15.547 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 84 3.654 -16.944 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.771 -16.039 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.924 -16.307 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.364 -14.659 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.469 -15.372 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.005 -14.001 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.874 -15.202 -0.629 1.00 0.00 H new TER 1331 LEU A 84