USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 440 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0351) USER MOD Single : A 12 THR OG1 : rot -150:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00304 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.952 K(o=-0.95,f=-2.2!) USER MOD Single : A 37 TYR OH : rot -112:sc= 1.43 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -5.23! C(o=-5.2!,f=-8.7!) USER MOD Single : A 52 TYR OH : rot -3:sc= 1.23 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 6.071 -0.565 -0.481 1.00 0.00 N ATOM 34 CA ALA A 3 4.899 -1.395 -0.675 1.00 0.00 C ATOM 35 C ALA A 3 4.895 -1.905 -2.108 1.00 0.00 C ATOM 36 O ALA A 3 5.550 -1.383 -3.003 1.00 0.00 O ATOM 37 CB ALA A 3 3.676 -0.525 -0.427 1.00 0.00 C ATOM 0 HA ALA A 3 4.897 -2.247 0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.773 -1.119 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.705 -0.139 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.673 0.308 -1.130 1.00 0.00 H new ATOM 43 N ILE A 4 4.082 -2.967 -2.229 1.00 0.00 N ATOM 44 CA ILE A 4 3.984 -3.670 -3.486 1.00 0.00 C ATOM 45 C ILE A 4 2.548 -4.169 -3.664 1.00 0.00 C ATOM 46 O ILE A 4 2.065 -4.983 -2.883 1.00 0.00 O ATOM 47 CB ILE A 4 4.892 -4.917 -3.303 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.389 -4.607 -3.066 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.760 -5.942 -4.445 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.142 -4.172 -4.328 1.00 0.00 C ATOM 0 H ILE A 4 3.500 -3.340 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 4 4.262 -3.045 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 4 4.505 -5.357 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.472 -3.820 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.872 -5.493 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.421 -6.787 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.730 -6.293 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.036 -5.472 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.184 -3.973 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.092 -4.966 -5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.686 -3.267 -4.730 1.00 0.00 H new ATOM 62 N ALA A 5 1.902 -3.666 -4.740 1.00 0.00 N ATOM 63 CA ALA A 5 0.554 -4.160 -4.995 1.00 0.00 C ATOM 64 C ALA A 5 0.666 -5.648 -5.422 1.00 0.00 C ATOM 65 O ALA A 5 1.337 -5.974 -6.394 1.00 0.00 O ATOM 66 CB ALA A 5 -0.069 -3.324 -6.111 1.00 0.00 C ATOM 0 H ALA A 5 2.266 -2.972 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.075 -4.083 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.079 -3.682 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.109 -2.279 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.535 -3.414 -7.014 1.00 0.00 H new ATOM 72 N LYS A 6 -0.072 -6.511 -4.702 1.00 0.00 N ATOM 73 CA LYS A 6 -0.047 -7.952 -4.985 1.00 0.00 C ATOM 74 C LYS A 6 -1.169 -8.428 -5.901 1.00 0.00 C ATOM 75 O LYS A 6 -1.038 -9.453 -6.560 1.00 0.00 O ATOM 76 CB LYS A 6 -0.197 -8.717 -3.677 1.00 0.00 C ATOM 77 CG LYS A 6 1.001 -8.529 -2.760 1.00 0.00 C ATOM 78 CD LYS A 6 1.572 -9.873 -2.299 1.00 0.00 C ATOM 79 CE LYS A 6 0.721 -10.488 -1.180 1.00 0.00 C ATOM 80 NZ LYS A 6 0.946 -11.920 -1.031 1.00 0.00 N ATOM 0 H LYS A 6 -0.683 -6.239 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 6 0.902 -8.138 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.100 -8.384 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.325 -9.778 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.774 -7.964 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.706 -7.940 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.617 -10.560 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.594 -9.734 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.948 -9.988 -0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.334 -10.309 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.348 -12.287 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.704 -12.404 -1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.946 -12.092 -0.804 1.00 0.00 H new ATOM 94 N TYR A 7 -2.265 -7.651 -5.891 1.00 0.00 N ATOM 95 CA TYR A 7 -3.417 -8.004 -6.733 1.00 0.00 C ATOM 96 C TYR A 7 -3.982 -6.692 -7.285 1.00 0.00 C ATOM 97 O TYR A 7 -3.618 -5.604 -6.852 1.00 0.00 O ATOM 98 CB TYR A 7 -4.537 -8.720 -5.926 1.00 0.00 C ATOM 99 CG TYR A 7 -4.142 -10.048 -5.326 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.347 -10.110 -4.188 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.556 -11.251 -5.895 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.941 -11.329 -3.646 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.187 -12.482 -5.360 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.366 -12.532 -4.227 1.00 0.00 C ATOM 105 OH TYR A 7 -2.957 -13.758 -3.710 1.00 0.00 O ATOM 0 H TYR A 7 -2.376 -6.806 -5.331 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.089 -8.686 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.865 -8.059 -5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.394 -8.875 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.036 -9.192 -3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.181 -11.228 -6.776 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.299 -11.346 -2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.533 -13.397 -5.818 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.350 -14.484 -4.239 1.00 0.00 H new ATOM 115 N ASP A 8 -4.875 -6.855 -8.287 1.00 0.00 N ATOM 116 CA ASP A 8 -5.517 -5.678 -8.880 1.00 0.00 C ATOM 117 C ASP A 8 -6.446 -5.068 -7.810 1.00 0.00 C ATOM 118 O ASP A 8 -6.905 -5.773 -6.922 1.00 0.00 O ATOM 119 CB ASP A 8 -6.265 -6.026 -10.187 1.00 0.00 C ATOM 120 CG ASP A 8 -7.259 -7.204 -10.071 1.00 0.00 C ATOM 121 OD1 ASP A 8 -8.010 -7.274 -9.098 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.266 -8.044 -10.969 1.00 0.00 O ATOM 0 H ASP A 8 -5.154 -7.753 -8.683 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.766 -4.945 -9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.808 -5.143 -10.525 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.531 -6.263 -10.957 1.00 0.00 H new ATOM 127 N PHE A 9 -6.579 -3.728 -7.839 1.00 0.00 N ATOM 128 CA PHE A 9 -7.528 -3.135 -6.886 1.00 0.00 C ATOM 129 C PHE A 9 -8.173 -1.893 -7.489 1.00 0.00 C ATOM 130 O PHE A 9 -7.503 -1.012 -8.007 1.00 0.00 O ATOM 131 CB PHE A 9 -6.894 -2.804 -5.528 1.00 0.00 C ATOM 132 CG PHE A 9 -7.941 -2.602 -4.461 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.650 -3.716 -4.042 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.289 -1.349 -3.937 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.715 -3.600 -3.167 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.365 -1.225 -3.046 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.089 -2.362 -2.672 1.00 0.00 C ATOM 0 H PHE A 9 -6.086 -3.083 -8.457 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.292 -3.889 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.223 -3.611 -5.232 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.288 -1.903 -5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.366 -4.693 -4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.725 -0.473 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.260 -4.483 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.633 -0.256 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.932 -2.275 -2.003 1.00 0.00 H new ATOM 147 N LYS A 10 -9.514 -1.886 -7.405 1.00 0.00 N ATOM 148 CA LYS A 10 -10.312 -0.749 -7.883 1.00 0.00 C ATOM 149 C LYS A 10 -11.147 -0.217 -6.666 1.00 0.00 C ATOM 150 O LYS A 10 -12.013 -0.914 -6.151 1.00 0.00 O ATOM 151 CB LYS A 10 -11.103 -1.090 -9.161 1.00 0.00 C ATOM 152 CG LYS A 10 -12.399 -1.868 -8.942 1.00 0.00 C ATOM 153 CD LYS A 10 -12.157 -3.173 -8.184 1.00 0.00 C ATOM 154 CE LYS A 10 -13.424 -4.013 -8.073 1.00 0.00 C ATOM 155 NZ LYS A 10 -14.418 -3.366 -7.222 1.00 0.00 N ATOM 0 H LYS A 10 -10.064 -2.651 -7.013 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.683 0.073 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.340 -0.161 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.459 -1.669 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.104 -1.250 -8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.858 -2.087 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.384 -3.749 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.783 -2.948 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.843 -4.175 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.178 -4.994 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.241 -3.992 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.002 -3.172 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.720 -2.472 -7.659 1.00 0.00 H new ATOM 169 N ALA A 11 -10.871 1.048 -6.258 1.00 0.00 N ATOM 170 CA ALA A 11 -11.518 1.688 -5.079 1.00 0.00 C ATOM 171 C ALA A 11 -13.050 1.525 -5.002 1.00 0.00 C ATOM 172 O ALA A 11 -13.749 1.230 -5.965 1.00 0.00 O ATOM 173 CB ALA A 11 -11.218 3.188 -4.931 1.00 0.00 C ATOM 0 H ALA A 11 -10.199 1.651 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.058 1.131 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.727 3.575 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.143 3.335 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.571 3.719 -5.815 1.00 0.00 H new ATOM 179 N THR A 12 -13.478 1.732 -3.735 1.00 0.00 N ATOM 180 CA THR A 12 -14.872 1.639 -3.320 1.00 0.00 C ATOM 181 C THR A 12 -15.443 2.944 -2.748 1.00 0.00 C ATOM 182 O THR A 12 -16.653 3.111 -2.645 1.00 0.00 O ATOM 183 CB THR A 12 -14.938 0.566 -2.218 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.348 0.913 -0.927 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.515 -0.792 -2.843 1.00 0.00 C ATOM 0 H THR A 12 -12.845 1.971 -2.971 1.00 0.00 H new ATOM 0 HA THR A 12 -15.466 1.401 -4.202 1.00 0.00 H new ATOM 0 HB THR A 12 -15.971 0.479 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.012 0.102 -0.492 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.553 -1.571 -2.081 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.195 -1.046 -3.656 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.499 -0.713 -3.231 1.00 0.00 H new ATOM 193 N ALA A 13 -14.518 3.855 -2.410 1.00 0.00 N ATOM 194 CA ALA A 13 -14.935 5.126 -1.815 1.00 0.00 C ATOM 195 C ALA A 13 -13.936 6.241 -2.122 1.00 0.00 C ATOM 196 O ALA A 13 -12.779 6.027 -2.452 1.00 0.00 O ATOM 197 CB ALA A 13 -15.079 4.920 -0.295 1.00 0.00 C ATOM 0 H ALA A 13 -13.512 3.740 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.889 5.433 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.389 5.855 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.828 4.152 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.122 4.607 0.122 1.00 0.00 H new ATOM 203 N ASP A 14 -14.499 7.454 -1.959 1.00 0.00 N ATOM 204 CA ASP A 14 -13.819 8.727 -2.173 1.00 0.00 C ATOM 205 C ASP A 14 -12.439 8.819 -1.462 1.00 0.00 C ATOM 206 O ASP A 14 -11.508 9.427 -1.973 1.00 0.00 O ATOM 207 CB ASP A 14 -14.789 9.805 -1.660 1.00 0.00 C ATOM 208 CG ASP A 14 -14.383 11.233 -2.096 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.367 11.738 -1.620 1.00 0.00 O ATOM 210 OD2 ASP A 14 -15.093 11.827 -2.907 1.00 0.00 O ATOM 0 H ASP A 14 -15.469 7.568 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.583 8.854 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.792 9.589 -2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.832 9.761 -0.572 1.00 0.00 H new ATOM 215 N ASP A 15 -12.356 8.134 -0.296 1.00 0.00 N ATOM 216 CA ASP A 15 -11.138 8.170 0.526 1.00 0.00 C ATOM 217 C ASP A 15 -10.072 7.089 0.209 1.00 0.00 C ATOM 218 O ASP A 15 -8.987 7.082 0.778 1.00 0.00 O ATOM 219 CB ASP A 15 -11.623 7.980 1.972 1.00 0.00 C ATOM 220 CG ASP A 15 -12.237 6.594 2.309 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.506 5.802 1.407 1.00 0.00 O ATOM 222 OD2 ASP A 15 -12.429 6.323 3.494 1.00 0.00 O ATOM 0 H ASP A 15 -13.108 7.561 0.086 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.628 9.113 0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.781 8.155 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.367 8.747 2.188 1.00 0.00 H new ATOM 227 N GLU A 16 -10.434 6.231 -0.755 1.00 0.00 N ATOM 228 CA GLU A 16 -9.575 5.136 -1.209 1.00 0.00 C ATOM 229 C GLU A 16 -9.033 5.510 -2.594 1.00 0.00 C ATOM 230 O GLU A 16 -9.579 6.357 -3.289 1.00 0.00 O ATOM 231 CB GLU A 16 -10.391 3.824 -1.341 1.00 0.00 C ATOM 232 CG GLU A 16 -10.426 3.001 -0.046 1.00 0.00 C ATOM 233 CD GLU A 16 -11.415 1.833 -0.122 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.363 1.066 -1.088 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.228 1.698 0.793 1.00 0.00 O ATOM 0 H GLU A 16 -11.330 6.279 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.770 4.982 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.411 4.067 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.963 3.216 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.428 2.615 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.698 3.650 0.786 1.00 0.00 H new ATOM 242 N LEU A 17 -7.959 4.788 -2.978 1.00 0.00 N ATOM 243 CA LEU A 17 -7.342 5.029 -4.286 1.00 0.00 C ATOM 244 C LEU A 17 -7.080 3.659 -4.944 1.00 0.00 C ATOM 245 O LEU A 17 -6.893 2.651 -4.276 1.00 0.00 O ATOM 246 CB LEU A 17 -6.054 5.877 -4.147 1.00 0.00 C ATOM 247 CG LEU A 17 -4.736 5.082 -3.980 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.039 5.004 -5.332 1.00 0.00 C ATOM 249 CD2 LEU A 17 -3.740 5.712 -3.009 1.00 0.00 C ATOM 0 H LEU A 17 -7.518 4.059 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.009 5.609 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.963 6.512 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.168 6.538 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.023 4.110 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.108 4.446 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.688 4.499 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.821 6.011 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.846 5.091 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.469 6.707 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.193 5.788 -2.021 1.00 0.00 H new ATOM 261 N SER A 18 -7.086 3.715 -6.289 1.00 0.00 N ATOM 262 CA SER A 18 -6.899 2.525 -7.118 1.00 0.00 C ATOM 263 C SER A 18 -5.406 2.180 -7.357 1.00 0.00 C ATOM 264 O SER A 18 -4.483 2.951 -7.161 1.00 0.00 O ATOM 265 CB SER A 18 -7.584 2.815 -8.488 1.00 0.00 C ATOM 266 OG SER A 18 -9.065 2.615 -8.580 1.00 0.00 O ATOM 0 H SER A 18 -7.219 4.576 -6.819 1.00 0.00 H new ATOM 0 HA SER A 18 -7.335 1.668 -6.604 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.367 3.848 -8.760 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.112 2.182 -9.240 1.00 0.00 H new ATOM 0 HG SER A 18 -9.369 2.832 -9.486 1.00 0.00 H new ATOM 272 N PHE A 19 -5.260 0.928 -7.828 1.00 0.00 N ATOM 273 CA PHE A 19 -3.963 0.408 -8.256 1.00 0.00 C ATOM 274 C PHE A 19 -4.207 -0.823 -9.125 1.00 0.00 C ATOM 275 O PHE A 19 -5.327 -1.219 -9.415 1.00 0.00 O ATOM 276 CB PHE A 19 -2.967 0.136 -7.113 1.00 0.00 C ATOM 277 CG PHE A 19 -3.460 -0.742 -5.988 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.111 -0.185 -4.893 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.243 -2.119 -5.988 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.528 -0.973 -3.830 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.635 -2.909 -4.913 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.277 -2.339 -3.825 1.00 0.00 C ATOM 0 H PHE A 19 -6.028 0.263 -7.919 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.466 1.187 -8.834 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.075 -0.323 -7.539 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.662 1.093 -6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.295 0.879 -4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.762 -2.580 -6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.052 -0.521 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.438 -3.971 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.578 -2.948 -2.985 1.00 0.00 H new ATOM 292 N LYS A 20 -3.068 -1.341 -9.582 1.00 0.00 N ATOM 293 CA LYS A 20 -3.066 -2.489 -10.455 1.00 0.00 C ATOM 294 C LYS A 20 -1.950 -3.366 -9.934 1.00 0.00 C ATOM 295 O LYS A 20 -0.937 -2.864 -9.462 1.00 0.00 O ATOM 296 CB LYS A 20 -2.775 -2.061 -11.910 1.00 0.00 C ATOM 297 CG LYS A 20 -3.581 -0.851 -12.422 1.00 0.00 C ATOM 298 CD LYS A 20 -3.073 0.500 -11.874 1.00 0.00 C ATOM 299 CE LYS A 20 -2.876 1.606 -12.918 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.886 2.655 -12.816 1.00 0.00 N ATOM 0 H LYS A 20 -2.142 -0.977 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.028 -3.002 -10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.713 -1.830 -11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.971 -2.909 -12.566 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.540 -0.831 -13.511 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.627 -0.977 -12.144 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.778 0.855 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.124 0.332 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.886 2.046 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.909 1.169 -13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.710 3.378 -13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.830 2.243 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.839 3.092 -11.873 1.00 0.00 H new ATOM 314 N ARG A 21 -2.187 -4.679 -10.058 1.00 0.00 N ATOM 315 CA ARG A 21 -1.205 -5.655 -9.593 1.00 0.00 C ATOM 316 C ARG A 21 0.231 -5.317 -10.075 1.00 0.00 C ATOM 317 O ARG A 21 0.594 -5.605 -11.209 1.00 0.00 O ATOM 318 CB ARG A 21 -1.627 -7.040 -10.109 1.00 0.00 C ATOM 319 CG ARG A 21 -0.873 -8.169 -9.396 1.00 0.00 C ATOM 320 CD ARG A 21 0.403 -8.635 -10.101 1.00 0.00 C ATOM 321 NE ARG A 21 1.160 -9.457 -9.167 1.00 0.00 N ATOM 322 CZ ARG A 21 2.068 -10.375 -9.548 1.00 0.00 C ATOM 323 NH1 ARG A 21 2.331 -10.595 -10.830 1.00 0.00 N ATOM 324 NH2 ARG A 21 2.712 -11.067 -8.620 1.00 0.00 N ATOM 0 H ARG A 21 -3.031 -5.079 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.181 -5.638 -8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.699 -7.171 -9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.442 -7.100 -11.181 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.615 -7.836 -8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.543 -9.022 -9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.157 -9.205 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.996 -7.778 -10.421 1.00 0.00 H new ATOM 0 HE ARG A 21 0.993 -9.330 -8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.841 -10.063 -11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.023 -11.296 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.517 -10.901 -7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.403 -11.766 -8.893 1.00 0.00 H new ATOM 338 N GLY A 22 1.017 -4.717 -9.152 1.00 0.00 N ATOM 339 CA GLY A 22 2.396 -4.359 -9.463 1.00 0.00 C ATOM 340 C GLY A 22 2.802 -2.920 -9.112 1.00 0.00 C ATOM 341 O GLY A 22 3.993 -2.636 -9.086 1.00 0.00 O ATOM 0 H GLY A 22 0.716 -4.479 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.059 -5.044 -8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.562 -4.515 -10.529 1.00 0.00 H new ATOM 345 N ASP A 23 1.814 -2.018 -8.840 1.00 0.00 N ATOM 346 CA ASP A 23 2.188 -0.641 -8.516 1.00 0.00 C ATOM 347 C ASP A 23 3.208 -0.568 -7.360 1.00 0.00 C ATOM 348 O ASP A 23 3.154 -1.329 -6.400 1.00 0.00 O ATOM 349 CB ASP A 23 0.951 0.228 -8.181 1.00 0.00 C ATOM 350 CG ASP A 23 0.085 0.558 -9.430 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.319 0.004 -10.504 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.831 1.368 -9.309 1.00 0.00 O ATOM 0 H ASP A 23 0.814 -2.218 -8.841 1.00 0.00 H new ATOM 0 HA ASP A 23 2.662 -0.240 -9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.336 -0.292 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.281 1.158 -7.719 1.00 0.00 H new ATOM 357 N ILE A 24 4.086 0.452 -7.487 1.00 0.00 N ATOM 358 CA ILE A 24 5.085 0.712 -6.453 1.00 0.00 C ATOM 359 C ILE A 24 4.376 1.787 -5.631 1.00 0.00 C ATOM 360 O ILE A 24 4.124 2.888 -6.103 1.00 0.00 O ATOM 361 CB ILE A 24 6.428 1.232 -7.026 1.00 0.00 C ATOM 362 CG1 ILE A 24 7.233 0.109 -7.712 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.300 1.965 -5.975 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.813 -0.944 -6.751 1.00 0.00 C ATOM 0 H ILE A 24 4.116 1.091 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 24 5.376 -0.178 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 24 6.155 1.970 -7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.588 -0.393 -8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.052 0.558 -8.274 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.225 2.303 -6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.755 2.825 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.534 1.283 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.362 -1.693 -7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.487 -0.460 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.001 -1.426 -6.206 1.00 0.00 H new ATOM 376 N LEU A 25 4.109 1.399 -4.368 1.00 0.00 N ATOM 377 CA LEU A 25 3.344 2.265 -3.472 1.00 0.00 C ATOM 378 C LEU A 25 4.238 2.898 -2.416 1.00 0.00 C ATOM 379 O LEU A 25 5.273 2.378 -2.014 1.00 0.00 O ATOM 380 CB LEU A 25 2.282 1.404 -2.773 1.00 0.00 C ATOM 381 CG LEU A 25 1.006 1.235 -3.605 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.545 -0.232 -3.690 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.122 2.132 -3.089 1.00 0.00 C ATOM 0 H LEU A 25 4.406 0.513 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 25 2.889 3.066 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.702 0.421 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.027 1.858 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 25 1.256 1.550 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.362 -0.294 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.328 -0.833 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.343 -0.609 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.012 1.987 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.348 1.874 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.189 3.175 -3.143 1.00 0.00 H new ATOM 395 N LYS A 26 3.706 4.068 -2.009 1.00 0.00 N ATOM 396 CA LYS A 26 4.357 4.898 -1.009 1.00 0.00 C ATOM 397 C LYS A 26 3.618 4.761 0.318 1.00 0.00 C ATOM 398 O LYS A 26 2.547 5.306 0.497 1.00 0.00 O ATOM 399 CB LYS A 26 4.416 6.329 -1.542 1.00 0.00 C ATOM 400 CG LYS A 26 5.230 7.279 -0.654 1.00 0.00 C ATOM 401 CD LYS A 26 6.683 7.401 -1.120 1.00 0.00 C ATOM 402 CE LYS A 26 7.431 6.061 -1.096 1.00 0.00 C ATOM 403 NZ LYS A 26 8.878 6.225 -1.144 1.00 0.00 N ATOM 0 H LYS A 26 2.829 4.448 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 26 5.382 4.582 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.849 6.318 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.401 6.715 -1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.765 8.265 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.209 6.920 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.702 7.804 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.205 8.115 -0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.161 5.515 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.110 5.455 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.334 5.291 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.142 6.722 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.192 6.780 -0.322 1.00 0.00 H new ATOM 417 N VAL A 27 4.264 4.084 1.283 1.00 0.00 N ATOM 418 CA VAL A 27 3.537 3.866 2.530 1.00 0.00 C ATOM 419 C VAL A 27 3.734 5.062 3.470 1.00 0.00 C ATOM 420 O VAL A 27 4.805 5.275 4.024 1.00 0.00 O ATOM 421 CB VAL A 27 4.108 2.569 3.133 1.00 0.00 C ATOM 422 CG1 VAL A 27 3.645 2.307 4.575 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.769 1.368 2.238 1.00 0.00 C ATOM 0 H VAL A 27 5.211 3.708 1.231 1.00 0.00 H new ATOM 0 HA VAL A 27 2.463 3.772 2.368 1.00 0.00 H new ATOM 0 HB VAL A 27 5.189 2.703 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.086 1.377 4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.962 3.131 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.558 2.227 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.180 0.459 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.687 1.273 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.200 1.519 1.248 1.00 0.00 H new ATOM 433 N LEU A 28 2.610 5.794 3.628 1.00 0.00 N ATOM 434 CA LEU A 28 2.573 6.976 4.482 1.00 0.00 C ATOM 435 C LEU A 28 2.088 6.571 5.898 1.00 0.00 C ATOM 436 O LEU A 28 2.827 5.947 6.652 1.00 0.00 O ATOM 437 CB LEU A 28 1.757 8.089 3.793 1.00 0.00 C ATOM 438 CG LEU A 28 2.029 9.471 4.416 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.309 10.106 3.844 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.827 10.403 4.237 1.00 0.00 C ATOM 0 H LEU A 28 1.724 5.579 3.172 1.00 0.00 H new ATOM 0 HA LEU A 28 3.566 7.402 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.003 8.115 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.694 7.860 3.869 1.00 0.00 H new ATOM 0 HG LEU A 28 2.184 9.323 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.470 11.080 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.161 9.460 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.204 10.229 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.047 11.371 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.623 10.534 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.046 9.968 4.723 1.00 0.00 H new ATOM 536 N ASN A 35 -6.446 -3.407 8.547 1.00 0.00 N ATOM 537 CA ASN A 35 -6.911 -3.954 7.303 1.00 0.00 C ATOM 538 C ASN A 35 -6.645 -3.049 6.102 1.00 0.00 C ATOM 539 O ASN A 35 -6.894 -3.480 4.991 1.00 0.00 O ATOM 540 CB ASN A 35 -8.418 -4.163 7.427 1.00 0.00 C ATOM 541 CG ASN A 35 -8.752 -5.481 8.128 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.986 -6.436 8.132 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.971 -5.466 8.684 1.00 0.00 N ATOM 0 HA ASN A 35 -6.368 -4.882 7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.856 -3.334 7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.869 -4.154 6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.326 -6.297 9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.544 -4.624 8.633 1.00 0.00 H new ATOM 550 N TRP A 36 -6.316 -1.770 6.376 1.00 0.00 N ATOM 551 CA TRP A 36 -6.045 -0.772 5.333 1.00 0.00 C ATOM 552 C TRP A 36 -4.773 0.033 5.714 1.00 0.00 C ATOM 553 O TRP A 36 -4.346 0.025 6.860 1.00 0.00 O ATOM 554 CB TRP A 36 -7.272 0.171 5.150 1.00 0.00 C ATOM 555 CG TRP A 36 -8.524 -0.599 4.767 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.315 -1.348 5.643 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.090 -0.793 3.454 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.270 -1.990 4.950 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.167 -1.691 3.607 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.787 -0.314 2.207 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.902 -2.081 2.528 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.537 -0.699 1.091 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.599 -1.594 1.251 1.00 0.00 C ATOM 0 H TRP A 36 -6.232 -1.405 7.325 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.872 -1.276 4.382 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.451 0.718 6.076 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.050 0.910 4.380 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.179 -1.402 6.713 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.970 -2.609 5.358 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.959 0.369 2.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.723 -2.770 2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.298 -0.308 0.113 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.181 -1.907 0.397 1.00 0.00 H new ATOM 574 N TYR A 37 -4.163 0.659 4.680 1.00 0.00 N ATOM 575 CA TYR A 37 -2.987 1.529 4.841 1.00 0.00 C ATOM 576 C TYR A 37 -3.229 2.783 4.002 1.00 0.00 C ATOM 577 O TYR A 37 -3.879 2.721 2.969 1.00 0.00 O ATOM 578 CB TYR A 37 -1.690 0.955 4.222 1.00 0.00 C ATOM 579 CG TYR A 37 -1.215 -0.311 4.838 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.067 -0.369 6.210 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.879 -1.420 4.069 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.584 -1.496 6.841 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.400 -2.573 4.676 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.244 -2.628 6.062 1.00 0.00 C ATOM 585 OH TYR A 37 0.278 -3.824 6.539 1.00 0.00 O ATOM 0 H TYR A 37 -4.477 0.571 3.713 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.866 1.672 5.915 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.856 0.786 3.158 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.901 1.703 4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.337 0.491 6.805 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.991 -1.384 2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.467 -1.515 7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.147 -3.432 4.073 1.00 0.00 H new ATOM 0 HH TYR A 37 1.203 -3.923 6.231 1.00 0.00 H new ATOM 595 N LYS A 38 -2.673 3.914 4.498 1.00 0.00 N ATOM 596 CA LYS A 38 -2.781 5.167 3.754 1.00 0.00 C ATOM 597 C LYS A 38 -1.425 5.308 3.041 1.00 0.00 C ATOM 598 O LYS A 38 -0.381 5.428 3.674 1.00 0.00 O ATOM 599 CB LYS A 38 -3.084 6.350 4.685 1.00 0.00 C ATOM 600 CG LYS A 38 -3.000 7.704 3.955 1.00 0.00 C ATOM 601 CD LYS A 38 -3.938 8.784 4.515 1.00 0.00 C ATOM 602 CE LYS A 38 -3.792 9.050 6.018 1.00 0.00 C ATOM 603 NZ LYS A 38 -2.869 10.142 6.312 1.00 0.00 N ATOM 0 H LYS A 38 -2.164 3.975 5.380 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.607 5.162 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.081 6.230 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.380 6.344 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.974 8.068 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.231 7.550 2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.759 9.715 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.968 8.491 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.770 9.284 6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.443 8.143 6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.809 10.278 7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.927 9.910 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.213 11.017 5.867 1.00 0.00 H new ATOM 617 N ALA A 39 -1.515 5.312 1.697 1.00 0.00 N ATOM 618 CA ALA A 39 -0.321 5.371 0.864 1.00 0.00 C ATOM 619 C ALA A 39 -0.531 6.291 -0.327 1.00 0.00 C ATOM 620 O ALA A 39 -1.616 6.820 -0.532 1.00 0.00 O ATOM 621 CB ALA A 39 -0.005 3.952 0.385 1.00 0.00 C ATOM 0 H ALA A 39 -2.394 5.275 1.180 1.00 0.00 H new ATOM 0 HA ALA A 39 0.510 5.772 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.887 3.970 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.170 3.308 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.846 3.567 -0.191 1.00 0.00 H new ATOM 627 N GLU A 40 0.572 6.438 -1.102 1.00 0.00 N ATOM 628 CA GLU A 40 0.510 7.304 -2.269 1.00 0.00 C ATOM 629 C GLU A 40 0.973 6.553 -3.536 1.00 0.00 C ATOM 630 O GLU A 40 1.894 5.742 -3.542 1.00 0.00 O ATOM 631 CB GLU A 40 1.313 8.587 -1.961 1.00 0.00 C ATOM 632 CG GLU A 40 1.653 9.455 -3.190 1.00 0.00 C ATOM 633 CD GLU A 40 2.698 10.525 -2.835 1.00 0.00 C ATOM 634 OE1 GLU A 40 2.333 11.530 -2.232 1.00 0.00 O ATOM 635 OE2 GLU A 40 3.869 10.335 -3.168 1.00 0.00 O ATOM 0 H GLU A 40 1.470 5.984 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.516 7.603 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.745 9.192 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.242 8.306 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.033 8.823 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.748 9.935 -3.563 1.00 0.00 H new ATOM 642 N LEU A 41 0.245 6.950 -4.590 1.00 0.00 N ATOM 643 CA LEU A 41 0.346 6.527 -5.982 1.00 0.00 C ATOM 644 C LEU A 41 -0.320 7.477 -6.936 1.00 0.00 C ATOM 645 O LEU A 41 -1.384 8.022 -6.675 1.00 0.00 O ATOM 646 CB LEU A 41 -0.477 5.247 -6.287 1.00 0.00 C ATOM 647 CG LEU A 41 0.190 3.900 -6.109 1.00 0.00 C ATOM 648 CD1 LEU A 41 -0.911 2.847 -6.074 1.00 0.00 C ATOM 649 CD2 LEU A 41 1.038 3.696 -7.383 1.00 0.00 C ATOM 0 H LEU A 41 -0.497 7.640 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 41 1.424 6.426 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.364 5.264 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.822 5.313 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 41 0.794 3.834 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.467 1.860 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.584 3.052 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.471 2.875 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.554 2.737 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.388 3.708 -8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.772 4.498 -7.464 1.00 0.00 H new ATOM 661 N ASN A 42 0.376 7.594 -8.085 1.00 0.00 N ATOM 662 CA ASN A 42 -0.239 8.305 -9.194 1.00 0.00 C ATOM 663 C ASN A 42 -0.661 9.769 -8.922 1.00 0.00 C ATOM 664 O ASN A 42 -1.642 10.246 -9.482 1.00 0.00 O ATOM 665 CB ASN A 42 -1.413 7.372 -9.610 1.00 0.00 C ATOM 666 CG ASN A 42 -1.460 7.126 -11.112 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.903 7.943 -11.906 1.00 0.00 O ATOM 668 ND2 ASN A 42 -0.943 5.924 -11.423 1.00 0.00 N ATOM 0 H ASN A 42 1.311 7.224 -8.254 1.00 0.00 H new ATOM 0 HA ASN A 42 0.481 8.475 -9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.315 6.418 -9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.356 7.814 -9.288 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.896 5.626 -12.397 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.598 5.311 -10.685 1.00 0.00 H new ATOM 675 N GLY A 43 0.087 10.437 -8.015 1.00 0.00 N ATOM 676 CA GLY A 43 -0.248 11.827 -7.693 1.00 0.00 C ATOM 677 C GLY A 43 -1.449 12.004 -6.737 1.00 0.00 C ATOM 678 O GLY A 43 -1.965 13.103 -6.578 1.00 0.00 O ATOM 0 H GLY A 43 0.889 10.052 -7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.626 12.302 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.460 12.358 -8.621 1.00 0.00 H new ATOM 682 N LYS A 44 -1.871 10.869 -6.136 1.00 0.00 N ATOM 683 CA LYS A 44 -2.977 10.799 -5.195 1.00 0.00 C ATOM 684 C LYS A 44 -2.548 9.909 -4.023 1.00 0.00 C ATOM 685 O LYS A 44 -1.583 9.162 -4.096 1.00 0.00 O ATOM 686 CB LYS A 44 -4.241 10.250 -5.888 1.00 0.00 C ATOM 687 CG LYS A 44 -4.926 11.312 -6.774 1.00 0.00 C ATOM 688 CD LYS A 44 -6.401 11.601 -6.422 1.00 0.00 C ATOM 689 CE LYS A 44 -7.389 10.979 -7.415 1.00 0.00 C ATOM 690 NZ LYS A 44 -8.712 11.592 -7.341 1.00 0.00 N ATOM 0 H LYS A 44 -1.433 9.964 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.225 11.793 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.973 9.387 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.945 9.900 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.362 12.242 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.873 10.986 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.611 11.220 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.556 12.679 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.998 11.085 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.475 9.911 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.344 11.138 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.099 11.469 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.637 12.607 -7.556 1.00 0.00 H new ATOM 704 N ASP A 45 -3.355 10.025 -2.959 1.00 0.00 N ATOM 705 CA ASP A 45 -3.123 9.273 -1.736 1.00 0.00 C ATOM 706 C ASP A 45 -4.488 8.787 -1.209 1.00 0.00 C ATOM 707 O ASP A 45 -5.486 9.498 -1.255 1.00 0.00 O ATOM 708 CB ASP A 45 -2.388 10.147 -0.701 1.00 0.00 C ATOM 709 CG ASP A 45 -3.186 11.404 -0.289 1.00 0.00 C ATOM 710 OD1 ASP A 45 -4.006 11.311 0.628 1.00 0.00 O ATOM 711 OD2 ASP A 45 -2.972 12.459 -0.882 1.00 0.00 O ATOM 0 H ASP A 45 -4.172 10.635 -2.929 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.486 8.410 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.180 9.550 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.426 10.454 -1.112 1.00 0.00 H new ATOM 716 N GLY A 46 -4.479 7.530 -0.734 1.00 0.00 N ATOM 717 CA GLY A 46 -5.730 6.979 -0.224 1.00 0.00 C ATOM 718 C GLY A 46 -5.520 5.630 0.440 1.00 0.00 C ATOM 719 O GLY A 46 -4.422 5.087 0.478 1.00 0.00 O ATOM 0 H GLY A 46 -3.668 6.913 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.168 7.673 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.442 6.875 -1.043 1.00 0.00 H new ATOM 723 N PHE A 47 -6.658 5.121 0.951 1.00 0.00 N ATOM 724 CA PHE A 47 -6.634 3.827 1.619 1.00 0.00 C ATOM 725 C PHE A 47 -6.591 2.688 0.581 1.00 0.00 C ATOM 726 O PHE A 47 -7.150 2.772 -0.505 1.00 0.00 O ATOM 727 CB PHE A 47 -7.873 3.672 2.517 1.00 0.00 C ATOM 728 CG PHE A 47 -7.884 4.692 3.622 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.998 4.618 4.692 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.779 5.751 3.579 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.000 5.591 5.686 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.783 6.732 4.557 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.891 6.651 5.616 1.00 0.00 C ATOM 0 H PHE A 47 -7.570 5.575 0.912 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.738 3.772 2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.775 3.777 1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.890 2.670 2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.301 3.796 4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.487 5.812 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.308 5.521 6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.478 7.557 4.495 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.890 7.411 6.383 1.00 0.00 H new ATOM 743 N ILE A 48 -5.871 1.633 1.014 1.00 0.00 N ATOM 744 CA ILE A 48 -5.693 0.407 0.243 1.00 0.00 C ATOM 745 C ILE A 48 -5.738 -0.736 1.253 1.00 0.00 C ATOM 746 O ILE A 48 -5.181 -0.594 2.331 1.00 0.00 O ATOM 747 CB ILE A 48 -4.357 0.427 -0.524 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.125 0.601 0.394 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.396 1.516 -1.607 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.794 0.549 -0.361 1.00 0.00 C ATOM 0 H ILE A 48 -5.397 1.618 1.917 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.472 0.294 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.241 -0.551 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.201 1.555 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.134 -0.180 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.449 1.526 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.208 1.308 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.558 2.488 -1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.971 0.678 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.697 -0.415 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.765 1.347 -1.103 1.00 0.00 H new ATOM 762 N PRO A 49 -6.334 -1.908 0.897 1.00 0.00 N ATOM 763 CA PRO A 49 -6.406 -2.981 1.879 1.00 0.00 C ATOM 764 C PRO A 49 -5.071 -3.680 2.082 1.00 0.00 C ATOM 765 O PRO A 49 -4.396 -4.000 1.110 1.00 0.00 O ATOM 766 CB PRO A 49 -7.413 -3.974 1.329 1.00 0.00 C ATOM 767 CG PRO A 49 -7.650 -3.600 -0.135 1.00 0.00 C ATOM 768 CD PRO A 49 -6.910 -2.292 -0.404 1.00 0.00 C ATOM 0 HA PRO A 49 -6.690 -2.575 2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.035 -4.993 1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.344 -3.933 1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.287 -4.388 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.716 -3.485 -0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.133 -2.425 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.587 -1.524 -0.778 1.00 0.00 H new ATOM 776 N LYS A 50 -4.762 -3.998 3.366 1.00 0.00 N ATOM 777 CA LYS A 50 -3.474 -4.646 3.539 1.00 0.00 C ATOM 778 C LYS A 50 -3.442 -6.087 2.975 1.00 0.00 C ATOM 779 O LYS A 50 -2.356 -6.558 2.669 1.00 0.00 O ATOM 780 CB LYS A 50 -2.964 -4.596 4.970 1.00 0.00 C ATOM 781 CG LYS A 50 -3.878 -5.314 5.940 1.00 0.00 C ATOM 782 CD LYS A 50 -3.163 -6.079 7.062 1.00 0.00 C ATOM 783 CE LYS A 50 -4.057 -7.120 7.723 1.00 0.00 C ATOM 784 NZ LYS A 50 -3.984 -8.379 6.993 1.00 0.00 N ATOM 0 H LYS A 50 -5.326 -3.833 4.200 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.780 -4.055 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.971 -5.043 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.859 -3.556 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.550 -4.584 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.497 -6.015 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.279 -6.570 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.817 -5.372 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.748 -7.272 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.087 -6.764 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.597 -9.082 7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.300 -8.231 6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.003 -8.723 6.992 1.00 0.00 H new ATOM 798 N ASN A 51 -4.612 -6.770 2.793 1.00 0.00 N ATOM 799 CA ASN A 51 -4.421 -8.140 2.274 1.00 0.00 C ATOM 800 C ASN A 51 -3.995 -8.124 0.767 1.00 0.00 C ATOM 801 O ASN A 51 -3.356 -9.064 0.306 1.00 0.00 O ATOM 802 CB ASN A 51 -5.646 -9.069 2.487 1.00 0.00 C ATOM 803 CG ASN A 51 -6.627 -9.046 1.314 1.00 0.00 C ATOM 804 OD1 ASN A 51 -6.251 -9.332 0.199 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.903 -8.815 1.569 1.00 0.00 N ATOM 0 H ASN A 51 -5.564 -6.448 2.970 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.611 -8.565 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.298 -10.090 2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.168 -8.769 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.592 -8.876 0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.199 -8.576 2.515 1.00 0.00 H new ATOM 812 N TYR A 52 -4.252 -6.969 0.082 1.00 0.00 N ATOM 813 CA TYR A 52 -3.982 -6.853 -1.358 1.00 0.00 C ATOM 814 C TYR A 52 -2.541 -6.404 -1.653 1.00 0.00 C ATOM 815 O TYR A 52 -2.158 -6.377 -2.813 1.00 0.00 O ATOM 816 CB TYR A 52 -5.000 -5.903 -2.036 1.00 0.00 C ATOM 817 CG TYR A 52 -6.283 -6.585 -2.447 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.073 -7.189 -1.488 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.740 -6.629 -3.763 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.247 -7.870 -1.791 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.932 -7.284 -4.089 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.713 -7.923 -3.125 1.00 0.00 C ATOM 823 OH TYR A 52 -9.903 -8.502 -3.615 1.00 0.00 O ATOM 0 H TYR A 52 -4.639 -6.127 0.508 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.098 -7.851 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.235 -5.088 -1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.537 -5.457 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.764 -7.130 -0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.165 -6.150 -4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.804 -8.359 -1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.258 -7.296 -5.119 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.384 -8.935 -2.879 1.00 0.00 H new ATOM 833 N ILE A 53 -1.777 -6.043 -0.594 1.00 0.00 N ATOM 834 CA ILE A 53 -0.364 -5.648 -0.803 1.00 0.00 C ATOM 835 C ILE A 53 0.531 -6.445 0.186 1.00 0.00 C ATOM 836 O ILE A 53 0.054 -7.135 1.078 1.00 0.00 O ATOM 837 CB ILE A 53 -0.142 -4.098 -0.752 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.017 -3.623 0.172 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.437 -3.315 -0.486 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.021 -2.151 0.448 1.00 0.00 C ATOM 0 H ILE A 53 -2.097 -6.017 0.374 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.068 -5.911 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 53 0.188 -3.858 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.953 -4.158 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.967 -3.898 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.218 -2.247 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.156 -3.520 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.857 -3.621 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.860 -1.905 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.118 -1.605 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.088 -1.870 0.937 1.00 0.00 H new ATOM 852 N GLU A 54 1.855 -6.272 -0.046 1.00 0.00 N ATOM 853 CA GLU A 54 2.922 -6.855 0.758 1.00 0.00 C ATOM 854 C GLU A 54 3.920 -5.706 1.037 1.00 0.00 C ATOM 855 O GLU A 54 4.249 -4.893 0.180 1.00 0.00 O ATOM 856 CB GLU A 54 3.590 -8.025 0.006 1.00 0.00 C ATOM 857 CG GLU A 54 4.915 -8.519 0.631 1.00 0.00 C ATOM 858 CD GLU A 54 5.054 -10.053 0.556 1.00 0.00 C ATOM 859 OE1 GLU A 54 4.490 -10.730 1.415 1.00 0.00 O ATOM 860 OE2 GLU A 54 5.724 -10.552 -0.347 1.00 0.00 O ATOM 0 H GLU A 54 2.204 -5.707 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 54 2.546 -7.273 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.890 -8.859 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.781 -7.717 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.755 -8.053 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.965 -8.201 1.672 1.00 0.00 H new ATOM 867 N MET A 55 4.342 -5.683 2.314 1.00 0.00 N ATOM 868 CA MET A 55 5.275 -4.680 2.826 1.00 0.00 C ATOM 869 C MET A 55 6.729 -5.093 2.541 1.00 0.00 C ATOM 870 O MET A 55 7.040 -6.252 2.284 1.00 0.00 O ATOM 871 CB MET A 55 5.049 -4.482 4.334 1.00 0.00 C ATOM 872 CG MET A 55 3.578 -4.196 4.677 1.00 0.00 C ATOM 873 SD MET A 55 3.337 -3.883 6.432 1.00 0.00 S ATOM 874 CE MET A 55 3.247 -5.603 6.996 1.00 0.00 C ATOM 0 H MET A 55 4.042 -6.361 3.014 1.00 0.00 H new ATOM 0 HA MET A 55 5.091 -3.734 2.316 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.376 -5.375 4.867 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.668 -3.656 4.685 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.235 -3.334 4.106 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.965 -5.044 4.374 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.097 -5.625 8.075 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.413 -6.104 6.504 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.176 -6.116 6.748 1.00 0.00 H new ATOM 943 N PRO B 2 -8.526 -12.769 -6.480 1.00 0.00 N ATOM 944 CA PRO B 2 -8.080 -12.144 -5.240 1.00 0.00 C ATOM 945 C PRO B 2 -9.032 -12.350 -4.016 1.00 0.00 C ATOM 946 O PRO B 2 -10.209 -12.671 -4.157 1.00 0.00 O ATOM 947 CB PRO B 2 -7.801 -10.670 -5.629 1.00 0.00 C ATOM 948 CG PRO B 2 -8.141 -10.478 -7.097 1.00 0.00 C ATOM 949 CD PRO B 2 -8.631 -11.826 -7.603 1.00 0.00 C ATOM 0 HA PRO B 2 -7.181 -12.622 -4.850 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.398 -9.998 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.755 -10.424 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.908 -9.714 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.267 -10.147 -7.658 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.661 -11.756 -7.953 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.030 -12.163 -8.447 1.00 0.00 H new ATOM 957 N PRO B 3 -8.425 -12.185 -2.792 1.00 0.00 N ATOM 958 CA PRO B 3 -9.125 -12.312 -1.498 1.00 0.00 C ATOM 959 C PRO B 3 -10.331 -11.402 -1.251 1.00 0.00 C ATOM 960 O PRO B 3 -10.433 -10.330 -1.811 1.00 0.00 O ATOM 961 CB PRO B 3 -8.087 -11.795 -0.486 1.00 0.00 C ATOM 962 CG PRO B 3 -6.724 -12.049 -1.111 1.00 0.00 C ATOM 963 CD PRO B 3 -6.963 -12.044 -2.626 1.00 0.00 C ATOM 0 HA PRO B 3 -9.489 -13.338 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -8.232 -10.733 -0.287 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -8.181 -12.314 0.468 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.010 -11.277 -0.823 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.312 -13.003 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.603 -11.119 -3.078 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.432 -12.863 -3.111 1.00 0.00 H new ATOM 971 N PRO B 4 -11.221 -11.813 -0.313 1.00 0.00 N ATOM 972 CA PRO B 4 -12.347 -10.949 0.048 1.00 0.00 C ATOM 973 C PRO B 4 -11.766 -9.769 0.853 1.00 0.00 C ATOM 974 O PRO B 4 -11.254 -9.936 1.953 1.00 0.00 O ATOM 975 CB PRO B 4 -13.231 -11.841 0.934 1.00 0.00 C ATOM 976 CG PRO B 4 -12.376 -13.055 1.343 1.00 0.00 C ATOM 977 CD PRO B 4 -11.144 -13.065 0.432 1.00 0.00 C ATOM 0 HA PRO B 4 -12.911 -10.548 -0.794 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.571 -11.295 1.814 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -14.122 -12.161 0.393 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -12.081 -12.983 2.390 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.943 -13.980 1.235 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -10.223 -13.124 1.012 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.154 -13.925 -0.238 1.00 0.00 H new ATOM 985 N VAL B 5 -11.886 -8.576 0.224 1.00 0.00 N ATOM 986 CA VAL B 5 -11.370 -7.339 0.812 1.00 0.00 C ATOM 987 C VAL B 5 -11.952 -7.149 2.227 1.00 0.00 C ATOM 988 O VAL B 5 -13.051 -7.612 2.507 1.00 0.00 O ATOM 989 CB VAL B 5 -11.706 -6.139 -0.059 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.900 -4.887 0.268 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.495 -6.349 -1.528 1.00 0.00 C ATOM 0 H VAL B 5 -12.334 -8.455 -0.684 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.285 -7.416 0.877 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.764 -6.011 0.170 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.199 -4.077 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -11.085 -4.595 1.302 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.838 -5.093 0.134 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.761 -5.440 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.448 -6.589 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.122 -7.171 -1.872 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.167 -6.515 3.138 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.671 -6.284 4.478 1.00 0.00 C ATOM 1003 C PRO B 6 -12.880 -5.345 4.562 1.00 0.00 C ATOM 1004 O PRO B 6 -13.048 -4.446 3.748 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.524 -5.581 5.204 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.265 -5.777 4.371 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.745 -6.173 2.990 1.00 0.00 C ATOM 0 HA PRO B 6 -11.995 -7.240 4.891 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.741 -4.520 5.326 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.391 -5.996 6.203 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.674 -4.862 4.333 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.628 -6.550 4.801 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.612 -5.355 2.281 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.177 -7.021 2.608 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.682 -5.545 5.644 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.821 -4.665 5.883 1.00 0.00 C ATOM 1017 C PRO B 7 -14.270 -3.338 6.458 1.00 0.00 C ATOM 1018 O PRO B 7 -13.799 -3.284 7.588 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.631 -5.384 6.974 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.692 -6.425 7.609 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.540 -6.624 6.624 1.00 0.00 C ATOM 0 HA PRO B 7 -15.413 -4.458 4.992 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.986 -4.676 7.723 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.511 -5.866 6.548 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.323 -6.077 8.574 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.217 -7.364 7.788 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.576 -6.572 7.130 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.596 -7.601 6.145 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.381 -2.281 5.628 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.887 -0.961 6.043 1.00 0.00 C ATOM 1031 C ARG B 8 -15.033 -0.211 6.737 1.00 0.00 C ATOM 1032 O ARG B 8 -16.181 -0.260 6.320 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.290 -0.123 4.893 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.901 -0.299 3.500 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.247 0.404 3.331 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.709 0.189 1.968 1.00 0.00 N ATOM 1037 CZ ARG B 8 -17.013 0.236 1.640 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.908 0.803 2.442 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.405 -0.290 0.489 1.00 0.00 N ATOM 0 H ARG B 8 -14.795 -2.315 4.696 1.00 0.00 H new ATOM 0 HA ARG B 8 -13.056 -1.120 6.730 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -13.372 0.929 5.166 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.227 -0.353 4.826 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.204 0.085 2.755 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.028 -1.363 3.300 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.972 0.011 4.044 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.146 1.470 3.534 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.023 -0.003 1.238 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -17.612 1.214 3.327 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.891 0.827 2.173 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.722 -0.722 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.390 -0.263 0.225 1.00 0.00 H new