USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 445 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 29 ASN : amide:sc= -0.36 K(o=-0.9,f=-2.6) USER MOD Set 1.2: A 31 HIS : no HD1:sc= -0.538 X(o=-0.9,f=-0.96) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= -0.422 (180deg=-0.44) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 10 MET CE :methyl -125:sc= -6.3! (180deg=-10.9!) USER MOD Single : A 12 MET CE :methyl 167:sc= 0 (180deg=-0.149) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0349 USER MOD Single : A 20 GLN : amide:sc= -1.87! C(o=-1.9!,f=-3.1!) USER MOD Single : A 25 TYR OH : rot 130:sc= -0.291 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.426) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc=-0.00605 (180deg=-0.129) USER MOD Single : A 35 HIS : no HD1:sc=-0.00599 X(o=-0.006,f=0) USER MOD Single : A 39 THR OG1 : rot 83:sc= 0.709 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -177:sc= -4.77! USER MOD Single : A 50 SER OG : rot 180:sc= -0.0844 USER MOD Single : A 54 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.4) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -4.363 -11.011 1.271 1.00 0.00 N ATOM 48 CA ALA A 5 -3.584 -11.546 0.167 1.00 0.00 C ATOM 49 C ALA A 5 -3.752 -10.643 -1.056 1.00 0.00 C ATOM 50 O ALA A 5 -2.805 -10.432 -1.813 1.00 0.00 O ATOM 51 CB ALA A 5 -4.014 -12.988 -0.109 1.00 0.00 C ATOM 0 HA ALA A 5 -2.524 -11.564 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.430 -13.390 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.846 -13.594 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.073 -13.009 -0.368 1.00 0.00 H new ATOM 57 N GLU A 6 -4.965 -10.133 -1.212 1.00 0.00 N ATOM 58 CA GLU A 6 -5.271 -9.256 -2.331 1.00 0.00 C ATOM 59 C GLU A 6 -4.627 -7.884 -2.121 1.00 0.00 C ATOM 60 O GLU A 6 -4.104 -7.289 -3.063 1.00 0.00 O ATOM 61 CB GLU A 6 -6.782 -9.129 -2.532 1.00 0.00 C ATOM 62 CG GLU A 6 -7.124 -7.878 -3.344 1.00 0.00 C ATOM 63 CD GLU A 6 -8.235 -8.168 -4.355 1.00 0.00 C ATOM 64 OE1 GLU A 6 -8.316 -9.336 -4.789 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.977 -7.213 -4.672 1.00 0.00 O ATOM 0 H GLU A 6 -5.748 -10.310 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.854 -9.696 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.160 -10.014 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.279 -9.085 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.438 -7.079 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.235 -7.525 -3.866 1.00 0.00 H new ATOM 70 N LEU A 7 -4.687 -7.422 -0.881 1.00 0.00 N ATOM 71 CA LEU A 7 -4.117 -6.130 -0.536 1.00 0.00 C ATOM 72 C LEU A 7 -2.618 -6.141 -0.844 1.00 0.00 C ATOM 73 O LEU A 7 -2.068 -5.144 -1.309 1.00 0.00 O ATOM 74 CB LEU A 7 -4.443 -5.771 0.914 1.00 0.00 C ATOM 75 CG LEU A 7 -5.895 -5.377 1.196 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.449 -4.487 0.081 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.765 -6.614 1.427 1.00 0.00 C ATOM 0 H LEU A 7 -5.121 -7.918 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.563 -5.342 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.189 -6.623 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.798 -4.947 1.218 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.917 -4.792 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.482 -4.222 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.849 -3.580 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.411 -5.025 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.791 -6.305 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.741 -7.246 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.383 -7.173 2.281 1.00 0.00 H new ATOM 88 N LYS A 8 -1.999 -7.280 -0.572 1.00 0.00 N ATOM 89 CA LYS A 8 -0.574 -7.435 -0.814 1.00 0.00 C ATOM 90 C LYS A 8 -0.320 -7.485 -2.322 1.00 0.00 C ATOM 91 O LYS A 8 0.685 -6.962 -2.803 1.00 0.00 O ATOM 92 CB LYS A 8 -0.030 -8.648 -0.057 1.00 0.00 C ATOM 93 CG LYS A 8 0.996 -8.222 0.996 1.00 0.00 C ATOM 94 CD LYS A 8 1.012 -9.201 2.172 1.00 0.00 C ATOM 95 CE LYS A 8 -0.201 -8.988 3.080 1.00 0.00 C ATOM 96 NZ LYS A 8 0.229 -8.537 4.422 1.00 0.00 N ATOM 0 H LYS A 8 -2.458 -8.105 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.026 -6.576 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.851 -9.179 0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.431 -9.343 -0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.987 -8.173 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.760 -7.220 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.015 -10.225 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.929 -9.069 2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.868 -8.248 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.766 -9.916 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.604 -8.430 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.875 -9.240 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.719 -7.623 4.341 1.00 0.00 H new ATOM 106 N GLN A 9 -1.246 -8.120 -3.026 1.00 0.00 N ATOM 107 CA GLN A 9 -1.135 -8.245 -4.468 1.00 0.00 C ATOM 108 C GLN A 9 -1.261 -6.873 -5.132 1.00 0.00 C ATOM 109 O GLN A 9 -0.495 -6.544 -6.037 1.00 0.00 O ATOM 110 CB GLN A 9 -2.181 -9.218 -5.016 1.00 0.00 C ATOM 111 CG GLN A 9 -2.460 -8.946 -6.496 1.00 0.00 C ATOM 112 CD GLN A 9 -2.655 -10.254 -7.266 1.00 0.00 C ATOM 113 OE1 GLN A 9 -3.221 -11.216 -6.774 1.00 0.00 O ATOM 114 NE2 GLN A 9 -2.156 -10.234 -8.499 1.00 0.00 N ATOM 0 H GLN A 9 -2.077 -8.553 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.151 -8.651 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.831 -10.243 -4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.105 -9.124 -4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.351 -8.326 -6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.632 -8.385 -6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.694 -9.395 -8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.236 -11.058 -9.095 1.00 0.00 H new ATOM 121 N MET A 10 -2.234 -6.108 -4.657 1.00 0.00 N ATOM 122 CA MET A 10 -2.471 -4.779 -5.194 1.00 0.00 C ATOM 123 C MET A 10 -1.360 -3.813 -4.774 1.00 0.00 C ATOM 124 O MET A 10 -0.875 -3.029 -5.588 1.00 0.00 O ATOM 125 CB MET A 10 -3.818 -4.258 -4.691 1.00 0.00 C ATOM 126 CG MET A 10 -4.968 -5.127 -5.203 1.00 0.00 C ATOM 127 SD MET A 10 -6.406 -4.909 -4.170 1.00 0.00 S ATOM 128 CE MET A 10 -6.606 -3.138 -4.287 1.00 0.00 C ATOM 0 H MET A 10 -2.867 -6.384 -3.906 1.00 0.00 H new ATOM 0 HA MET A 10 -2.480 -4.843 -6.282 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.823 -4.247 -3.601 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.960 -3.229 -5.021 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.206 -4.860 -6.233 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.669 -6.175 -5.207 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.620 -2.706 -3.286 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.776 -2.715 -4.853 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.544 -2.910 -4.793 1.00 0.00 H new ATOM 136 N VAL A 11 -0.992 -3.901 -3.505 1.00 0.00 N ATOM 137 CA VAL A 11 0.051 -3.045 -2.967 1.00 0.00 C ATOM 138 C VAL A 11 1.373 -3.353 -3.675 1.00 0.00 C ATOM 139 O VAL A 11 2.169 -2.450 -3.929 1.00 0.00 O ATOM 140 CB VAL A 11 0.134 -3.212 -1.448 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.532 -2.864 -0.934 1.00 0.00 C ATOM 142 CG2 VAL A 11 -0.933 -2.370 -0.746 1.00 0.00 C ATOM 0 H VAL A 11 -1.398 -4.552 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.182 -1.997 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.058 -4.259 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.564 -2.991 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.265 -3.524 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.765 -1.829 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.853 -2.506 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.786 -1.318 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.922 -2.685 -1.079 1.00 0.00 H new ATOM 152 N MET A 12 1.564 -4.629 -3.972 1.00 0.00 N ATOM 153 CA MET A 12 2.776 -5.066 -4.646 1.00 0.00 C ATOM 154 C MET A 12 2.897 -4.422 -6.028 1.00 0.00 C ATOM 155 O MET A 12 3.953 -4.487 -6.657 1.00 0.00 O ATOM 156 CB MET A 12 2.756 -6.590 -4.793 1.00 0.00 C ATOM 157 CG MET A 12 3.360 -7.266 -3.559 1.00 0.00 C ATOM 158 SD MET A 12 4.829 -8.171 -4.019 1.00 0.00 S ATOM 159 CE MET A 12 5.085 -9.122 -2.529 1.00 0.00 C ATOM 0 H MET A 12 0.901 -5.375 -3.759 1.00 0.00 H new ATOM 0 HA MET A 12 3.634 -4.760 -4.047 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.731 -6.932 -4.935 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.315 -6.881 -5.682 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.605 -6.517 -2.806 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.632 -7.942 -3.111 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.817 -9.907 -2.720 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.452 -8.468 -1.738 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.142 -9.572 -2.218 1.00 0.00 H new ATOM 167 N SER A 13 1.802 -3.816 -6.463 1.00 0.00 N ATOM 168 CA SER A 13 1.773 -3.160 -7.759 1.00 0.00 C ATOM 169 C SER A 13 1.910 -1.646 -7.583 1.00 0.00 C ATOM 170 O SER A 13 2.577 -0.983 -8.375 1.00 0.00 O ATOM 171 CB SER A 13 0.485 -3.493 -8.515 1.00 0.00 C ATOM 172 OG SER A 13 0.675 -3.471 -9.927 1.00 0.00 O ATOM 0 H SER A 13 0.928 -3.766 -5.940 1.00 0.00 H new ATOM 0 HA SER A 13 2.613 -3.527 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.131 -4.478 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.291 -2.778 -8.242 1.00 0.00 H new ATOM 0 HG SER A 13 -0.169 -3.690 -10.374 1.00 0.00 H new ATOM 177 N LEU A 14 1.265 -1.143 -6.540 1.00 0.00 N ATOM 178 CA LEU A 14 1.306 0.280 -6.250 1.00 0.00 C ATOM 179 C LEU A 14 2.738 0.790 -6.426 1.00 0.00 C ATOM 180 O LEU A 14 3.694 0.028 -6.285 1.00 0.00 O ATOM 181 CB LEU A 14 0.717 0.562 -4.867 1.00 0.00 C ATOM 182 CG LEU A 14 -0.774 0.264 -4.699 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.250 0.625 -3.291 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.599 0.965 -5.780 1.00 0.00 C ATOM 0 H LEU A 14 0.711 -1.696 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 14 0.682 0.831 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.269 -0.024 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.886 1.612 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.924 -0.808 -4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.313 0.403 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.693 0.042 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.084 1.687 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.655 0.736 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.448 2.042 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.282 0.616 -6.763 1.00 0.00 H new ATOM 195 N ARG A 15 2.841 2.076 -6.730 1.00 0.00 N ATOM 196 CA ARG A 15 4.140 2.696 -6.925 1.00 0.00 C ATOM 197 C ARG A 15 4.706 3.176 -5.586 1.00 0.00 C ATOM 198 O ARG A 15 4.156 2.868 -4.530 1.00 0.00 O ATOM 199 CB ARG A 15 4.045 3.884 -7.885 1.00 0.00 C ATOM 200 CG ARG A 15 4.634 3.532 -9.253 1.00 0.00 C ATOM 201 CD ARG A 15 6.069 4.049 -9.379 1.00 0.00 C ATOM 202 NE ARG A 15 6.239 4.759 -10.667 1.00 0.00 N ATOM 203 CZ ARG A 15 6.036 4.199 -11.867 1.00 0.00 C ATOM 204 NH1 ARG A 15 5.656 2.916 -11.951 1.00 0.00 N ATOM 205 NH2 ARG A 15 6.216 4.920 -12.982 1.00 0.00 N ATOM 0 H ARG A 15 2.046 2.705 -6.846 1.00 0.00 H new ATOM 0 HA ARG A 15 4.803 1.946 -7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.003 4.181 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.576 4.739 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.619 2.451 -9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.017 3.964 -10.041 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.297 4.721 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.771 3.217 -9.317 1.00 0.00 H new ATOM 0 HE ARG A 15 6.529 5.736 -10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.522 2.367 -11.102 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.501 2.489 -12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.508 5.895 -12.917 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.061 4.494 -13.896 1.00 0.00 H new ATOM 216 N VAL A 16 5.796 3.924 -5.675 1.00 0.00 N ATOM 217 CA VAL A 16 6.443 4.450 -4.485 1.00 0.00 C ATOM 218 C VAL A 16 5.538 5.502 -3.841 1.00 0.00 C ATOM 219 O VAL A 16 5.314 5.478 -2.632 1.00 0.00 O ATOM 220 CB VAL A 16 7.830 4.989 -4.837 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.342 5.936 -3.750 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.818 3.845 -5.078 1.00 0.00 C ATOM 0 H VAL A 16 6.248 4.178 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 16 6.595 3.658 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 16 7.744 5.557 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.330 6.305 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.656 6.777 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.405 5.402 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.797 4.256 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.898 3.237 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.464 3.226 -5.903 1.00 0.00 H new ATOM 232 N SER A 17 5.041 6.401 -4.678 1.00 0.00 N ATOM 233 CA SER A 17 4.165 7.459 -4.206 1.00 0.00 C ATOM 234 C SER A 17 2.911 6.858 -3.570 1.00 0.00 C ATOM 235 O SER A 17 2.465 7.313 -2.518 1.00 0.00 O ATOM 236 CB SER A 17 3.781 8.405 -5.346 1.00 0.00 C ATOM 237 OG SER A 17 4.769 8.435 -6.372 1.00 0.00 O ATOM 0 H SER A 17 5.229 6.418 -5.680 1.00 0.00 H new ATOM 0 HA SER A 17 4.703 8.037 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.827 8.092 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.639 9.411 -4.950 1.00 0.00 H new ATOM 0 HG SER A 17 4.485 9.049 -7.081 1.00 0.00 H new ATOM 242 N GLU A 18 2.379 5.842 -4.234 1.00 0.00 N ATOM 243 CA GLU A 18 1.185 5.173 -3.747 1.00 0.00 C ATOM 244 C GLU A 18 1.463 4.508 -2.396 1.00 0.00 C ATOM 245 O GLU A 18 0.632 4.560 -1.492 1.00 0.00 O ATOM 246 CB GLU A 18 0.673 4.153 -4.765 1.00 0.00 C ATOM 247 CG GLU A 18 -0.012 4.850 -5.942 1.00 0.00 C ATOM 248 CD GLU A 18 0.990 5.156 -7.057 1.00 0.00 C ATOM 249 OE1 GLU A 18 1.954 5.896 -6.765 1.00 0.00 O ATOM 250 OE2 GLU A 18 0.769 4.643 -8.176 1.00 0.00 O ATOM 0 H GLU A 18 2.753 5.466 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 18 0.404 5.921 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.504 3.549 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.029 3.473 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.810 4.217 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.476 5.776 -5.601 1.00 0.00 H new ATOM 255 N LEU A 19 2.635 3.897 -2.305 1.00 0.00 N ATOM 256 CA LEU A 19 3.034 3.222 -1.081 1.00 0.00 C ATOM 257 C LEU A 19 3.228 4.258 0.027 1.00 0.00 C ATOM 258 O LEU A 19 2.960 3.981 1.195 1.00 0.00 O ATOM 259 CB LEU A 19 4.264 2.348 -1.328 1.00 0.00 C ATOM 260 CG LEU A 19 4.057 1.141 -2.246 1.00 0.00 C ATOM 261 CD1 LEU A 19 5.284 0.907 -3.129 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.685 -0.105 -1.440 1.00 0.00 C ATOM 0 H LEU A 19 3.321 3.855 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 19 2.250 2.542 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.049 2.973 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.629 1.989 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 19 3.219 1.357 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.111 0.044 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.462 1.788 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.155 0.722 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.544 -0.948 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.485 -0.335 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.761 0.079 -0.892 1.00 0.00 H new ATOM 273 N GLN A 20 3.694 5.431 -0.377 1.00 0.00 N ATOM 274 CA GLN A 20 3.927 6.510 0.567 1.00 0.00 C ATOM 275 C GLN A 20 2.612 6.936 1.222 1.00 0.00 C ATOM 276 O GLN A 20 2.598 7.355 2.379 1.00 0.00 O ATOM 277 CB GLN A 20 4.610 7.697 -0.115 1.00 0.00 C ATOM 278 CG GLN A 20 6.096 7.419 -0.343 1.00 0.00 C ATOM 279 CD GLN A 20 6.920 8.703 -0.226 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.404 9.808 -0.271 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.225 8.497 -0.075 1.00 0.00 N ATOM 0 H GLN A 20 3.917 5.657 -1.346 1.00 0.00 H new ATOM 0 HA GLN A 20 4.597 6.146 1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.124 7.901 -1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.494 8.590 0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.449 6.689 0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.240 6.979 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.591 7.545 -0.045 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.860 9.291 0.011 1.00 0.00 H new ATOM 288 N VAL A 21 1.539 6.814 0.456 1.00 0.00 N ATOM 289 CA VAL A 21 0.222 7.180 0.947 1.00 0.00 C ATOM 290 C VAL A 21 -0.227 6.163 1.997 1.00 0.00 C ATOM 291 O VAL A 21 -0.869 6.525 2.982 1.00 0.00 O ATOM 292 CB VAL A 21 -0.757 7.305 -0.222 1.00 0.00 C ATOM 293 CG1 VAL A 21 -2.023 8.054 0.200 1.00 0.00 C ATOM 294 CG2 VAL A 21 -0.094 7.983 -1.423 1.00 0.00 C ATOM 0 H VAL A 21 1.555 6.466 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 21 0.253 8.156 1.432 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.048 6.299 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.702 8.129 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.513 7.513 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.757 9.055 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.812 8.059 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.240 8.981 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.763 7.392 -1.747 1.00 0.00 H new ATOM 304 N LEU A 22 0.126 4.910 1.750 1.00 0.00 N ATOM 305 CA LEU A 22 -0.233 3.837 2.662 1.00 0.00 C ATOM 306 C LEU A 22 0.354 4.131 4.044 1.00 0.00 C ATOM 307 O LEU A 22 -0.334 3.998 5.056 1.00 0.00 O ATOM 308 CB LEU A 22 0.191 2.483 2.089 1.00 0.00 C ATOM 309 CG LEU A 22 -0.528 2.041 0.813 1.00 0.00 C ATOM 310 CD1 LEU A 22 -0.753 0.526 0.807 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.835 2.814 0.623 1.00 0.00 C ATOM 0 H LEU A 22 0.657 4.614 0.931 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.315 3.783 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.262 2.515 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.034 1.722 2.853 1.00 0.00 H new ATOM 0 HG LEU A 22 0.112 2.276 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.266 0.238 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.208 0.015 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.362 0.245 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.326 2.480 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.492 2.633 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.620 3.880 0.551 1.00 0.00 H new ATOM 322 N LEU A 23 1.618 4.525 4.043 1.00 0.00 N ATOM 323 CA LEU A 23 2.305 4.839 5.284 1.00 0.00 C ATOM 324 C LEU A 23 1.827 6.198 5.798 1.00 0.00 C ATOM 325 O LEU A 23 1.561 6.357 6.988 1.00 0.00 O ATOM 326 CB LEU A 23 3.821 4.752 5.094 1.00 0.00 C ATOM 327 CG LEU A 23 4.368 3.389 4.666 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.452 2.258 5.140 1.00 0.00 C ATOM 329 CD2 LEU A 23 4.601 3.341 3.155 1.00 0.00 C ATOM 0 H LEU A 23 2.185 4.634 3.202 1.00 0.00 H new ATOM 0 HA LEU A 23 2.060 4.104 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.116 5.490 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.301 5.036 6.031 1.00 0.00 H new ATOM 0 HG LEU A 23 5.336 3.244 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.863 1.300 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.380 2.280 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.460 2.388 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.990 2.361 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.659 3.518 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.320 4.110 2.873 1.00 0.00 H new ATOM 340 N GLY A 24 1.731 7.143 4.875 1.00 0.00 N ATOM 341 CA GLY A 24 1.289 8.484 5.219 1.00 0.00 C ATOM 342 C GLY A 24 -0.114 8.459 5.829 1.00 0.00 C ATOM 343 O GLY A 24 -0.364 9.098 6.849 1.00 0.00 O ATOM 0 H GLY A 24 1.952 7.007 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.989 8.931 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.291 9.111 4.328 1.00 0.00 H new ATOM 347 N TYR A 25 -0.994 7.713 5.177 1.00 0.00 N ATOM 348 CA TYR A 25 -2.366 7.595 5.641 1.00 0.00 C ATOM 349 C TYR A 25 -2.431 6.851 6.976 1.00 0.00 C ATOM 350 O TYR A 25 -3.450 6.889 7.664 1.00 0.00 O ATOM 351 CB TYR A 25 -3.103 6.778 4.579 1.00 0.00 C ATOM 352 CG TYR A 25 -4.621 6.746 4.761 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.291 7.879 5.174 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.321 5.582 4.512 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.721 7.848 5.345 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.751 5.551 4.683 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.380 6.686 5.091 1.00 0.00 C ATOM 358 OH TYR A 25 -8.730 6.657 5.253 1.00 0.00 O ATOM 0 H TYR A 25 -0.783 7.184 4.331 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.807 8.581 5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.874 7.189 3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.724 5.756 4.594 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.743 8.789 5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.796 4.695 4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.258 8.728 5.668 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.311 4.647 4.492 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.147 6.276 4.452 1.00 0.00 H new ATOM 367 N ALA A 26 -1.329 6.191 7.304 1.00 0.00 N ATOM 368 CA ALA A 26 -1.248 5.439 8.544 1.00 0.00 C ATOM 369 C ALA A 26 -0.460 6.248 9.576 1.00 0.00 C ATOM 370 O ALA A 26 -0.413 5.885 10.750 1.00 0.00 O ATOM 371 CB ALA A 26 -0.620 4.071 8.271 1.00 0.00 C ATOM 0 H ALA A 26 -0.485 6.162 6.732 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.243 5.265 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.559 3.506 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.234 3.525 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.381 4.205 7.862 1.00 0.00 H new ATOM 377 N GLY A 27 0.139 7.329 9.099 1.00 0.00 N ATOM 378 CA GLY A 27 0.923 8.194 9.966 1.00 0.00 C ATOM 379 C GLY A 27 2.406 7.823 9.912 1.00 0.00 C ATOM 380 O GLY A 27 3.269 8.665 10.157 1.00 0.00 O ATOM 0 H GLY A 27 0.098 7.626 8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.793 9.233 9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.561 8.113 10.991 1.00 0.00 H new ATOM 384 N ARG A 28 2.658 6.563 9.591 1.00 0.00 N ATOM 385 CA ARG A 28 4.021 6.070 9.503 1.00 0.00 C ATOM 386 C ARG A 28 4.857 6.983 8.602 1.00 0.00 C ATOM 387 O ARG A 28 4.312 7.714 7.777 1.00 0.00 O ATOM 388 CB ARG A 28 4.058 4.644 8.948 1.00 0.00 C ATOM 389 CG ARG A 28 3.405 3.661 9.921 1.00 0.00 C ATOM 390 CD ARG A 28 4.294 3.428 11.144 1.00 0.00 C ATOM 391 NE ARG A 28 3.546 2.681 12.180 1.00 0.00 N ATOM 392 CZ ARG A 28 3.288 1.368 12.120 1.00 0.00 C ATOM 393 NH1 ARG A 28 3.717 0.648 11.075 1.00 0.00 N ATOM 394 NH2 ARG A 28 2.601 0.775 13.106 1.00 0.00 N ATOM 0 H ARG A 28 1.940 5.868 9.388 1.00 0.00 H new ATOM 0 HA ARG A 28 4.438 6.065 10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.541 4.610 7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.091 4.348 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.437 4.048 10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.219 2.713 9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.185 2.871 10.855 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.632 4.383 11.546 1.00 0.00 H new ATOM 0 HE ARG A 28 3.206 3.199 12.990 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.240 1.100 10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.520 -0.352 11.029 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.275 1.323 13.902 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.404 -0.225 13.061 1.00 0.00 H new ATOM 405 N ASN A 29 6.167 6.908 8.789 1.00 0.00 N ATOM 406 CA ASN A 29 7.082 7.717 8.004 1.00 0.00 C ATOM 407 C ASN A 29 7.368 7.014 6.676 1.00 0.00 C ATOM 408 O ASN A 29 7.576 5.802 6.644 1.00 0.00 O ATOM 409 CB ASN A 29 8.414 7.908 8.733 1.00 0.00 C ATOM 410 CG ASN A 29 9.294 8.928 8.009 1.00 0.00 C ATOM 411 OD1 ASN A 29 9.906 8.647 6.991 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.326 10.125 8.590 1.00 0.00 N ATOM 0 H ASN A 29 6.616 6.299 9.473 1.00 0.00 H new ATOM 0 HA ASN A 29 6.617 8.689 7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.229 8.242 9.754 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.936 6.954 8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.887 10.874 8.184 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.790 10.293 9.441 1.00 0.00 H new ATOM 418 N LYS A 30 7.367 7.803 5.612 1.00 0.00 N ATOM 419 CA LYS A 30 7.624 7.271 4.284 1.00 0.00 C ATOM 420 C LYS A 30 8.879 7.929 3.710 1.00 0.00 C ATOM 421 O LYS A 30 8.835 9.073 3.260 1.00 0.00 O ATOM 422 CB LYS A 30 6.388 7.427 3.397 1.00 0.00 C ATOM 423 CG LYS A 30 6.094 8.902 3.118 1.00 0.00 C ATOM 424 CD LYS A 30 4.610 9.214 3.323 1.00 0.00 C ATOM 425 CE LYS A 30 4.407 10.678 3.719 1.00 0.00 C ATOM 426 NZ LYS A 30 4.159 10.792 5.173 1.00 0.00 N ATOM 0 H LYS A 30 7.192 8.807 5.642 1.00 0.00 H new ATOM 0 HA LYS A 30 7.820 6.200 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.543 6.899 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.527 6.967 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.695 9.527 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.383 9.147 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.060 9.002 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.202 8.564 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.288 11.260 3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.566 11.097 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.469 11.727 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.143 10.677 5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.690 10.052 5.675 1.00 0.00 H new ATOM 436 N HIS A 31 9.970 7.177 3.741 1.00 0.00 N ATOM 437 CA HIS A 31 11.237 7.672 3.229 1.00 0.00 C ATOM 438 C HIS A 31 12.215 6.508 3.067 1.00 0.00 C ATOM 439 O HIS A 31 12.920 6.148 4.008 1.00 0.00 O ATOM 440 CB HIS A 31 11.785 8.788 4.122 1.00 0.00 C ATOM 441 CG HIS A 31 11.476 10.180 3.624 1.00 0.00 C ATOM 442 ND1 HIS A 31 10.753 11.098 4.365 1.00 0.00 N ATOM 443 CD2 HIS A 31 11.800 10.801 2.453 1.00 0.00 C ATOM 444 CE1 HIS A 31 10.653 12.217 3.663 1.00 0.00 C ATOM 445 NE2 HIS A 31 11.302 12.030 2.478 1.00 0.00 N ATOM 0 H HIS A 31 10.003 6.228 4.113 1.00 0.00 H new ATOM 0 HA HIS A 31 11.088 8.115 2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.374 8.672 5.125 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.866 8.675 4.206 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.366 10.365 1.643 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.147 13.119 3.974 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.390 12.722 1.733 1.00 0.00 H new ATOM 452 N GLY A 32 12.229 5.952 1.864 1.00 0.00 N ATOM 453 CA GLY A 32 13.109 4.835 1.566 1.00 0.00 C ATOM 454 C GLY A 32 12.908 4.345 0.132 1.00 0.00 C ATOM 455 O GLY A 32 12.342 5.057 -0.697 1.00 0.00 O ATOM 0 H GLY A 32 11.645 6.254 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.147 5.137 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.916 4.020 2.263 1.00 0.00 H new ATOM 459 N ARG A 33 13.380 3.133 -0.118 1.00 0.00 N ATOM 460 CA ARG A 33 13.259 2.539 -1.439 1.00 0.00 C ATOM 461 C ARG A 33 11.908 1.835 -1.582 1.00 0.00 C ATOM 462 O ARG A 33 11.196 1.647 -0.597 1.00 0.00 O ATOM 463 CB ARG A 33 14.382 1.533 -1.696 1.00 0.00 C ATOM 464 CG ARG A 33 15.709 2.247 -1.956 1.00 0.00 C ATOM 465 CD ARG A 33 16.367 1.733 -3.238 1.00 0.00 C ATOM 466 NE ARG A 33 17.128 2.822 -3.889 1.00 0.00 N ATOM 467 CZ ARG A 33 16.567 3.916 -4.423 1.00 0.00 C ATOM 468 NH1 ARG A 33 15.237 4.072 -4.385 1.00 0.00 N ATOM 469 NH2 ARG A 33 17.336 4.854 -4.992 1.00 0.00 N ATOM 0 H ARG A 33 13.847 2.545 0.572 1.00 0.00 H new ATOM 0 HA ARG A 33 13.333 3.342 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.484 0.870 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.127 0.909 -2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.539 3.321 -2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.381 2.093 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.033 0.901 -3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.606 1.352 -3.919 1.00 0.00 H new ATOM 0 HE ARG A 33 18.143 2.735 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.652 3.359 -3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.809 4.904 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.349 4.736 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.909 5.686 -5.398 1.00 0.00 H new ATOM 480 N LYS A 34 11.598 1.464 -2.815 1.00 0.00 N ATOM 481 CA LYS A 34 10.346 0.784 -3.100 1.00 0.00 C ATOM 482 C LYS A 34 10.244 -0.471 -2.230 1.00 0.00 C ATOM 483 O LYS A 34 9.199 -0.736 -1.637 1.00 0.00 O ATOM 484 CB LYS A 34 10.215 0.505 -4.598 1.00 0.00 C ATOM 485 CG LYS A 34 9.018 -0.402 -4.885 1.00 0.00 C ATOM 486 CD LYS A 34 7.714 0.399 -4.898 1.00 0.00 C ATOM 487 CE LYS A 34 7.481 1.045 -6.267 1.00 0.00 C ATOM 488 NZ LYS A 34 7.043 0.030 -7.251 1.00 0.00 N ATOM 0 H LYS A 34 12.192 1.621 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 34 9.500 1.421 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.101 1.445 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.128 0.035 -4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.155 -0.897 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.961 -1.185 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.878 -0.256 -4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.749 1.171 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.727 1.828 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.399 1.522 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.665 0.505 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.853 -0.563 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.303 -0.566 -6.829 1.00 0.00 H new ATOM 498 N HIS A 35 11.342 -1.210 -2.181 1.00 0.00 N ATOM 499 CA HIS A 35 11.389 -2.430 -1.394 1.00 0.00 C ATOM 500 C HIS A 35 11.109 -2.105 0.074 1.00 0.00 C ATOM 501 O HIS A 35 10.349 -2.811 0.736 1.00 0.00 O ATOM 502 CB HIS A 35 12.720 -3.157 -1.596 1.00 0.00 C ATOM 503 CG HIS A 35 12.802 -4.493 -0.899 1.00 0.00 C ATOM 504 ND1 HIS A 35 12.559 -5.693 -1.545 1.00 0.00 N ATOM 505 CD2 HIS A 35 13.106 -4.807 0.394 1.00 0.00 C ATOM 506 CE1 HIS A 35 12.710 -6.677 -0.671 1.00 0.00 C ATOM 507 NE2 HIS A 35 13.048 -6.126 0.530 1.00 0.00 N ATOM 0 H HIS A 35 12.207 -0.987 -2.674 1.00 0.00 H new ATOM 0 HA HIS A 35 10.612 -3.115 -1.733 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.883 -3.305 -2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.528 -2.521 -1.236 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.352 -4.102 1.174 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.587 -7.731 -0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.227 -6.643 1.391 1.00 0.00 H new ATOM 514 N GLU A 36 11.737 -1.036 0.541 1.00 0.00 N ATOM 515 CA GLU A 36 11.564 -0.608 1.919 1.00 0.00 C ATOM 516 C GLU A 36 10.123 -0.152 2.156 1.00 0.00 C ATOM 517 O GLU A 36 9.501 -0.537 3.145 1.00 0.00 O ATOM 518 CB GLU A 36 12.556 0.499 2.277 1.00 0.00 C ATOM 519 CG GLU A 36 13.997 -0.014 2.218 1.00 0.00 C ATOM 520 CD GLU A 36 14.913 0.817 3.118 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.985 0.480 4.319 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.521 1.770 2.584 1.00 0.00 O ATOM 0 H GLU A 36 12.367 -0.453 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 36 11.767 -1.457 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.436 1.336 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.341 0.875 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.028 -1.059 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.359 0.025 1.190 1.00 0.00 H new ATOM 527 N LEU A 37 9.634 0.662 1.233 1.00 0.00 N ATOM 528 CA LEU A 37 8.278 1.176 1.329 1.00 0.00 C ATOM 529 C LEU A 37 7.291 0.007 1.277 1.00 0.00 C ATOM 530 O LEU A 37 6.281 0.013 1.980 1.00 0.00 O ATOM 531 CB LEU A 37 8.030 2.238 0.256 1.00 0.00 C ATOM 532 CG LEU A 37 8.678 3.602 0.503 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.790 4.398 -0.800 1.00 0.00 C ATOM 534 CD2 LEU A 37 7.926 4.379 1.585 1.00 0.00 C ATOM 0 H LEU A 37 10.153 0.979 0.414 1.00 0.00 H new ATOM 0 HA LEU A 37 8.128 1.680 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.390 1.854 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.954 2.381 0.156 1.00 0.00 H new ATOM 0 HG LEU A 37 9.691 3.438 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.254 5.364 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.401 3.844 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.795 4.554 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.407 5.344 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.894 4.535 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.940 3.812 2.516 1.00 0.00 H new ATOM 545 N LEU A 38 7.617 -0.966 0.440 1.00 0.00 N ATOM 546 CA LEU A 38 6.772 -2.138 0.288 1.00 0.00 C ATOM 547 C LEU A 38 6.644 -2.848 1.637 1.00 0.00 C ATOM 548 O LEU A 38 5.550 -3.244 2.033 1.00 0.00 O ATOM 549 CB LEU A 38 7.299 -3.037 -0.832 1.00 0.00 C ATOM 550 CG LEU A 38 6.409 -3.152 -2.072 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.764 -2.079 -3.104 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.476 -4.562 -2.665 1.00 0.00 C ATOM 0 H LEU A 38 8.456 -0.967 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 38 5.767 -1.846 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.275 -2.664 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.455 -4.037 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 38 5.377 -2.978 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.117 -2.183 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.625 -1.091 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.804 -2.197 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.835 -4.618 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.503 -4.789 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.137 -5.285 -1.923 1.00 0.00 H new ATOM 563 N THR A 39 7.780 -2.987 2.307 1.00 0.00 N ATOM 564 CA THR A 39 7.809 -3.642 3.603 1.00 0.00 C ATOM 565 C THR A 39 6.908 -2.902 4.595 1.00 0.00 C ATOM 566 O THR A 39 6.263 -3.526 5.436 1.00 0.00 O ATOM 567 CB THR A 39 9.268 -3.729 4.055 1.00 0.00 C ATOM 568 OG1 THR A 39 9.898 -4.515 3.046 1.00 0.00 O ATOM 569 CG2 THR A 39 9.437 -4.558 5.331 1.00 0.00 C ATOM 0 H THR A 39 8.686 -2.657 1.976 1.00 0.00 H new ATOM 0 HA THR A 39 7.411 -4.655 3.544 1.00 0.00 H new ATOM 0 HB THR A 39 9.657 -2.724 4.220 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.132 -3.944 2.285 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.491 -4.588 5.608 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.862 -4.105 6.138 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.079 -5.572 5.156 1.00 0.00 H new ATOM 577 N LYS A 40 6.895 -1.584 4.463 1.00 0.00 N ATOM 578 CA LYS A 40 6.085 -0.753 5.337 1.00 0.00 C ATOM 579 C LYS A 40 4.604 -1.002 5.042 1.00 0.00 C ATOM 580 O LYS A 40 3.795 -1.118 5.960 1.00 0.00 O ATOM 581 CB LYS A 40 6.498 0.715 5.215 1.00 0.00 C ATOM 582 CG LYS A 40 7.916 0.931 5.748 1.00 0.00 C ATOM 583 CD LYS A 40 8.036 2.283 6.455 1.00 0.00 C ATOM 584 CE LYS A 40 9.372 2.953 6.133 1.00 0.00 C ATOM 585 NZ LYS A 40 10.475 2.286 6.859 1.00 0.00 N ATOM 0 H LYS A 40 7.432 -1.071 3.764 1.00 0.00 H new ATOM 0 HA LYS A 40 6.252 -1.021 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.447 1.026 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.798 1.341 5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.174 0.130 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.629 0.882 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.216 2.932 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.945 2.143 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.557 2.911 5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.333 4.007 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.375 2.754 6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.304 2.348 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.522 1.286 6.576 1.00 0.00 H new ATOM 595 N ALA A 41 4.295 -1.077 3.755 1.00 0.00 N ATOM 596 CA ALA A 41 2.926 -1.309 3.327 1.00 0.00 C ATOM 597 C ALA A 41 2.516 -2.737 3.697 1.00 0.00 C ATOM 598 O ALA A 41 1.373 -2.977 4.084 1.00 0.00 O ATOM 599 CB ALA A 41 2.808 -1.040 1.825 1.00 0.00 C ATOM 0 H ALA A 41 4.969 -0.981 2.996 1.00 0.00 H new ATOM 0 HA ALA A 41 2.244 -0.627 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.781 -1.214 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.083 -0.006 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.476 -1.708 1.282 1.00 0.00 H new ATOM 605 N LEU A 42 3.471 -3.645 3.567 1.00 0.00 N ATOM 606 CA LEU A 42 3.223 -5.041 3.883 1.00 0.00 C ATOM 607 C LEU A 42 3.071 -5.198 5.397 1.00 0.00 C ATOM 608 O LEU A 42 2.146 -5.859 5.866 1.00 0.00 O ATOM 609 CB LEU A 42 4.314 -5.929 3.279 1.00 0.00 C ATOM 610 CG LEU A 42 4.360 -5.991 1.750 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.572 -7.426 1.266 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.107 -5.359 1.139 1.00 0.00 C ATOM 0 H LEU A 42 4.418 -3.442 3.247 1.00 0.00 H new ATOM 0 HA LEU A 42 2.288 -5.373 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.281 -5.577 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.182 -6.942 3.660 1.00 0.00 H new ATOM 0 HG LEU A 42 5.215 -5.407 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.601 -7.442 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.514 -7.807 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.752 -8.053 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.164 -5.416 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.223 -5.896 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.040 -4.315 1.445 1.00 0.00 H new ATOM 623 N HIS A 43 3.993 -4.579 6.118 1.00 0.00 N ATOM 624 CA HIS A 43 3.973 -4.641 7.571 1.00 0.00 C ATOM 625 C HIS A 43 2.723 -3.933 8.097 1.00 0.00 C ATOM 626 O HIS A 43 2.220 -4.268 9.169 1.00 0.00 O ATOM 627 CB HIS A 43 5.268 -4.073 8.157 1.00 0.00 C ATOM 628 CG HIS A 43 6.392 -5.076 8.246 1.00 0.00 C ATOM 629 ND1 HIS A 43 7.274 -5.119 9.312 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.769 -6.072 7.394 1.00 0.00 C ATOM 631 CE1 HIS A 43 8.140 -6.101 9.100 1.00 0.00 C ATOM 632 NE2 HIS A 43 7.825 -6.690 7.910 1.00 0.00 N ATOM 0 H HIS A 43 4.759 -4.032 5.725 1.00 0.00 H new ATOM 0 HA HIS A 43 3.922 -5.681 7.894 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.593 -3.231 7.545 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.063 -3.682 9.154 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.290 -6.317 6.458 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.951 -6.384 9.754 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.319 -7.475 7.487 1.00 0.00 H new ATOM 639 N LEU A 44 2.257 -2.967 7.320 1.00 0.00 N ATOM 640 CA LEU A 44 1.076 -2.208 7.694 1.00 0.00 C ATOM 641 C LEU A 44 -0.095 -3.171 7.910 1.00 0.00 C ATOM 642 O LEU A 44 -0.838 -3.042 8.881 1.00 0.00 O ATOM 643 CB LEU A 44 0.791 -1.115 6.662 1.00 0.00 C ATOM 644 CG LEU A 44 1.156 0.311 7.080 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.581 1.333 6.097 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.719 0.590 8.518 1.00 0.00 C ATOM 0 H LEU A 44 2.676 -2.692 6.432 1.00 0.00 H new ATOM 0 HA LEU A 44 1.241 -1.687 8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.334 -1.355 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.271 -1.141 6.418 1.00 0.00 H new ATOM 0 HG LEU A 44 2.241 0.409 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.854 2.339 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.983 1.146 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.505 1.243 6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.991 1.610 8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.361 0.468 8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.215 -0.109 9.191 1.00 0.00 H new ATOM 657 N LEU A 45 -0.223 -4.113 6.987 1.00 0.00 N ATOM 658 CA LEU A 45 -1.290 -5.095 7.063 1.00 0.00 C ATOM 659 C LEU A 45 -1.059 -5.999 8.276 1.00 0.00 C ATOM 660 O LEU A 45 -1.972 -6.229 9.067 1.00 0.00 O ATOM 661 CB LEU A 45 -1.413 -5.857 5.742 1.00 0.00 C ATOM 662 CG LEU A 45 -1.655 -5.004 4.496 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.475 -5.100 3.528 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.979 -5.378 3.825 1.00 0.00 C ATOM 0 H LEU A 45 0.395 -4.217 6.182 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.251 -4.603 7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.500 -6.434 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.230 -6.572 5.833 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.733 -3.962 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.673 -4.484 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.430 -4.747 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.340 -6.137 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.127 -4.757 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.954 -6.427 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.800 -5.216 4.524 1.00 0.00 H new ATOM 675 N LYS A 46 0.168 -6.489 8.384 1.00 0.00 N ATOM 676 CA LYS A 46 0.530 -7.363 9.486 1.00 0.00 C ATOM 677 C LYS A 46 0.410 -6.592 10.803 1.00 0.00 C ATOM 678 O LYS A 46 0.182 -7.187 11.855 1.00 0.00 O ATOM 679 CB LYS A 46 1.915 -7.971 9.255 1.00 0.00 C ATOM 680 CG LYS A 46 2.114 -9.223 10.113 1.00 0.00 C ATOM 681 CD LYS A 46 3.320 -10.031 9.630 1.00 0.00 C ATOM 682 CE LYS A 46 4.631 -9.380 10.077 1.00 0.00 C ATOM 683 NZ LYS A 46 5.577 -9.288 8.942 1.00 0.00 N ATOM 0 H LYS A 46 0.923 -6.297 7.726 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.158 -8.206 9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.034 -8.225 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.683 -7.236 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.258 -8.936 11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.218 -9.842 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.262 -11.047 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.300 -10.107 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.433 -8.385 10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.077 -9.962 10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.461 -8.844 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.780 -10.242 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.156 -8.713 8.185 1.00 0.00 H new ATOM 693 N ALA A 47 0.568 -5.280 10.701 1.00 0.00 N ATOM 694 CA ALA A 47 0.480 -4.423 11.870 1.00 0.00 C ATOM 695 C ALA A 47 -0.992 -4.149 12.186 1.00 0.00 C ATOM 696 O ALA A 47 -1.304 -3.436 13.140 1.00 0.00 O ATOM 697 CB ALA A 47 1.272 -3.138 11.622 1.00 0.00 C ATOM 0 H ALA A 47 0.756 -4.790 9.826 1.00 0.00 H new ATOM 0 HA ALA A 47 0.918 -4.913 12.739 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.206 -2.495 12.499 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.316 -3.385 11.431 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.859 -2.617 10.758 1.00 0.00 H new ATOM 703 N GLY A 48 -1.858 -4.730 11.370 1.00 0.00 N ATOM 704 CA GLY A 48 -3.289 -4.558 11.550 1.00 0.00 C ATOM 705 C GLY A 48 -3.714 -3.124 11.228 1.00 0.00 C ATOM 706 O GLY A 48 -3.976 -2.331 12.131 1.00 0.00 O ATOM 0 H GLY A 48 -1.596 -5.321 10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.826 -5.254 10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.562 -4.800 12.577 1.00 0.00 H new ATOM 710 N CYS A 49 -3.769 -2.833 9.935 1.00 0.00 N ATOM 711 CA CYS A 49 -4.158 -1.508 9.483 1.00 0.00 C ATOM 712 C CYS A 49 -5.665 -1.512 9.221 1.00 0.00 C ATOM 713 O CYS A 49 -6.191 -2.445 8.614 1.00 0.00 O ATOM 714 CB CYS A 49 -3.365 -1.078 8.246 1.00 0.00 C ATOM 715 SG CYS A 49 -3.071 0.727 8.287 1.00 0.00 S ATOM 0 H CYS A 49 -3.551 -3.492 9.188 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.927 -0.775 10.256 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.414 -1.609 8.211 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.912 -1.345 7.342 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.451 1.090 7.204 1.00 0.00 H new ATOM 720 N SER A 50 -6.318 -0.461 9.694 1.00 0.00 N ATOM 721 CA SER A 50 -7.755 -0.331 9.518 1.00 0.00 C ATOM 722 C SER A 50 -8.136 -0.653 8.073 1.00 0.00 C ATOM 723 O SER A 50 -7.275 -0.704 7.195 1.00 0.00 O ATOM 724 CB SER A 50 -8.231 1.073 9.894 1.00 0.00 C ATOM 725 OG SER A 50 -9.136 1.055 10.993 1.00 0.00 O ATOM 0 H SER A 50 -5.879 0.309 10.199 1.00 0.00 H new ATOM 0 HA SER A 50 -8.247 -1.041 10.183 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.370 1.692 10.144 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.716 1.534 9.033 1.00 0.00 H new ATOM 0 HG SER A 50 -9.415 1.971 11.202 1.00 0.00 H new ATOM 730 N PRO A 51 -9.463 -0.867 7.862 1.00 0.00 N ATOM 731 CA PRO A 51 -9.970 -1.181 6.538 1.00 0.00 C ATOM 732 C PRO A 51 -9.994 0.064 5.649 1.00 0.00 C ATOM 733 O PRO A 51 -10.280 -0.025 4.457 1.00 0.00 O ATOM 734 CB PRO A 51 -11.351 -1.769 6.774 1.00 0.00 C ATOM 735 CG PRO A 51 -11.754 -1.335 8.174 1.00 0.00 C ATOM 736 CD PRO A 51 -10.512 -0.813 8.877 1.00 0.00 C ATOM 0 HA PRO A 51 -9.337 -1.889 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.062 -1.406 6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.332 -2.856 6.692 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.520 -0.561 8.128 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.181 -2.173 8.725 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.660 0.204 9.240 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.259 -1.426 9.742 1.00 0.00 H new ATOM 741 N ALA A 52 -9.690 1.197 6.265 1.00 0.00 N ATOM 742 CA ALA A 52 -9.673 2.459 5.545 1.00 0.00 C ATOM 743 C ALA A 52 -8.490 2.474 4.577 1.00 0.00 C ATOM 744 O ALA A 52 -8.623 2.907 3.434 1.00 0.00 O ATOM 745 CB ALA A 52 -9.624 3.617 6.545 1.00 0.00 C ATOM 0 H ALA A 52 -9.454 1.267 7.255 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.582 2.576 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.611 4.564 6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.502 3.579 7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.724 3.534 7.154 1.00 0.00 H new ATOM 751 N VAL A 53 -7.357 1.996 5.071 1.00 0.00 N ATOM 752 CA VAL A 53 -6.149 1.948 4.264 1.00 0.00 C ATOM 753 C VAL A 53 -6.330 0.923 3.143 1.00 0.00 C ATOM 754 O VAL A 53 -5.860 1.130 2.026 1.00 0.00 O ATOM 755 CB VAL A 53 -4.937 1.656 5.152 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.632 1.851 4.378 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.962 2.521 6.413 1.00 0.00 C ATOM 0 H VAL A 53 -7.250 1.638 6.020 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.965 2.914 3.794 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.990 0.612 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.786 1.637 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.611 1.174 3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.568 2.881 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.090 2.294 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.944 3.574 6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.869 2.312 6.980 1.00 0.00 H new ATOM 767 N GLN A 54 -7.011 -0.163 3.482 1.00 0.00 N ATOM 768 CA GLN A 54 -7.260 -1.221 2.518 1.00 0.00 C ATOM 769 C GLN A 54 -8.053 -0.679 1.327 1.00 0.00 C ATOM 770 O GLN A 54 -7.855 -1.116 0.194 1.00 0.00 O ATOM 771 CB GLN A 54 -7.989 -2.398 3.171 1.00 0.00 C ATOM 772 CG GLN A 54 -7.180 -2.960 4.341 1.00 0.00 C ATOM 773 CD GLN A 54 -7.678 -4.354 4.733 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.566 -4.919 4.115 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.059 -4.873 5.788 1.00 0.00 N ATOM 0 H GLN A 54 -7.398 -0.332 4.411 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.300 -1.587 2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.968 -2.074 3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.159 -3.181 2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.126 -3.010 4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.256 -2.289 5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.324 -4.345 6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.319 -5.799 6.127 1.00 0.00 H new ATOM 782 N MET A 55 -8.933 0.265 1.623 1.00 0.00 N ATOM 783 CA MET A 55 -9.757 0.872 0.591 1.00 0.00 C ATOM 784 C MET A 55 -8.919 1.774 -0.318 1.00 0.00 C ATOM 785 O MET A 55 -9.125 1.803 -1.530 1.00 0.00 O ATOM 786 CB MET A 55 -10.870 1.694 1.242 1.00 0.00 C ATOM 787 CG MET A 55 -11.879 0.788 1.950 1.00 0.00 C ATOM 788 SD MET A 55 -12.959 0.023 0.753 1.00 0.00 S ATOM 789 CE MET A 55 -14.466 0.921 1.077 1.00 0.00 C ATOM 0 H MET A 55 -9.094 0.625 2.564 1.00 0.00 H new ATOM 0 HA MET A 55 -10.190 0.077 -0.016 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.439 2.393 1.958 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.379 2.288 0.483 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.354 0.022 2.520 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.465 1.369 2.662 1.00 0.00 H new ATOM 0 HE1 MET A 55 -15.252 0.566 0.410 1.00 0.00 H new ATOM 0 HE2 MET A 55 -14.769 0.762 2.112 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.299 1.985 0.907 1.00 0.00 H new ATOM 797 N LYS A 56 -7.993 2.490 0.303 1.00 0.00 N ATOM 798 CA LYS A 56 -7.124 3.391 -0.435 1.00 0.00 C ATOM 799 C LYS A 56 -6.291 2.586 -1.434 1.00 0.00 C ATOM 800 O LYS A 56 -5.925 3.092 -2.492 1.00 0.00 O ATOM 801 CB LYS A 56 -6.286 4.234 0.527 1.00 0.00 C ATOM 802 CG LYS A 56 -5.565 5.361 -0.215 1.00 0.00 C ATOM 803 CD LYS A 56 -6.546 6.460 -0.629 1.00 0.00 C ATOM 804 CE LYS A 56 -6.509 7.628 0.359 1.00 0.00 C ATOM 805 NZ LYS A 56 -7.786 8.375 0.328 1.00 0.00 N ATOM 0 H LYS A 56 -7.826 2.464 1.309 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.715 4.102 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.928 4.656 1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.556 3.600 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.789 5.783 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.068 4.960 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.298 6.817 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.556 6.052 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.324 7.254 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.684 8.296 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.743 9.164 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.947 8.748 -0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.567 7.739 0.587 1.00 0.00 H new ATOM 815 N ILE A 57 -6.017 1.344 -1.061 1.00 0.00 N ATOM 816 CA ILE A 57 -5.233 0.464 -1.910 1.00 0.00 C ATOM 817 C ILE A 57 -6.007 0.186 -3.202 1.00 0.00 C ATOM 818 O ILE A 57 -5.414 0.072 -4.272 1.00 0.00 O ATOM 819 CB ILE A 57 -4.835 -0.802 -1.149 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.915 -0.468 0.027 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.212 -1.835 -2.089 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.699 -1.691 0.919 1.00 0.00 C ATOM 0 H ILE A 57 -6.324 0.927 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.297 0.945 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.738 -1.249 -0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.955 -0.113 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.348 0.342 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.938 -2.725 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.932 -2.104 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.321 -1.413 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.041 -1.426 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.658 -2.029 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.243 -2.491 0.336 1.00 0.00 H new ATOM 833 N LYS A 58 -7.320 0.087 -3.056 1.00 0.00 N ATOM 834 CA LYS A 58 -8.181 -0.174 -4.198 1.00 0.00 C ATOM 835 C LYS A 58 -8.167 1.039 -5.130 1.00 0.00 C ATOM 836 O LYS A 58 -8.152 0.888 -6.350 1.00 0.00 O ATOM 837 CB LYS A 58 -9.582 -0.575 -3.731 1.00 0.00 C ATOM 838 CG LYS A 58 -9.541 -1.881 -2.934 1.00 0.00 C ATOM 839 CD LYS A 58 -10.666 -1.925 -1.896 1.00 0.00 C ATOM 840 CE LYS A 58 -11.607 -3.102 -2.159 1.00 0.00 C ATOM 841 NZ LYS A 58 -12.788 -2.659 -2.933 1.00 0.00 N ATOM 0 H LYS A 58 -7.809 0.183 -2.166 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.806 -1.021 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.005 0.218 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.237 -0.692 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.634 -2.729 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.577 -1.977 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.240 -2.011 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.228 -0.992 -1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.078 -3.883 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.928 -3.537 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.416 -3.470 -3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.301 -1.930 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.478 -2.265 -3.844 1.00 0.00 H new ATOM 851 N GLU A 59 -8.173 2.215 -4.519 1.00 0.00 N ATOM 852 CA GLU A 59 -8.161 3.453 -5.279 1.00 0.00 C ATOM 853 C GLU A 59 -6.809 3.639 -5.970 1.00 0.00 C ATOM 854 O GLU A 59 -6.752 3.911 -7.168 1.00 0.00 O ATOM 855 CB GLU A 59 -8.488 4.650 -4.384 1.00 0.00 C ATOM 856 CG GLU A 59 -9.616 4.311 -3.407 1.00 0.00 C ATOM 857 CD GLU A 59 -10.690 3.456 -4.084 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.548 4.058 -4.765 1.00 0.00 O ATOM 859 OE2 GLU A 59 -10.627 2.220 -3.905 1.00 0.00 O ATOM 0 H GLU A 59 -8.186 2.336 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.934 3.393 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.598 4.948 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.779 5.501 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.210 3.777 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.063 5.230 -3.029 1.00 0.00 H new ATOM 864 N LEU A 60 -5.753 3.484 -5.185 1.00 0.00 N ATOM 865 CA LEU A 60 -4.405 3.632 -5.707 1.00 0.00 C ATOM 866 C LEU A 60 -4.198 2.647 -6.859 1.00 0.00 C ATOM 867 O LEU A 60 -3.676 3.017 -7.911 1.00 0.00 O ATOM 868 CB LEU A 60 -3.376 3.487 -4.583 1.00 0.00 C ATOM 869 CG LEU A 60 -3.480 4.504 -3.445 1.00 0.00 C ATOM 870 CD1 LEU A 60 -2.922 3.927 -2.142 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.801 5.822 -3.824 1.00 0.00 C ATOM 0 H LEU A 60 -5.804 3.257 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.262 4.634 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.468 2.487 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.379 3.559 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.535 4.721 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.008 4.670 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.487 3.036 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.873 3.663 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.889 6.528 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.747 5.641 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.282 6.238 -4.709 1.00 0.00 H new ATOM 882 N TYR A 61 -4.617 1.412 -6.623 1.00 0.00 N ATOM 883 CA TYR A 61 -4.484 0.372 -7.629 1.00 0.00 C ATOM 884 C TYR A 61 -5.436 0.618 -8.801 1.00 0.00 C ATOM 885 O TYR A 61 -5.102 0.326 -9.948 1.00 0.00 O ATOM 886 CB TYR A 61 -4.874 -0.936 -6.937 1.00 0.00 C ATOM 887 CG TYR A 61 -4.757 -2.172 -7.830 1.00 0.00 C ATOM 888 CD1 TYR A 61 -3.537 -2.797 -7.987 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.873 -2.661 -8.481 1.00 0.00 C ATOM 890 CE1 TYR A 61 -3.427 -3.961 -8.829 1.00 0.00 C ATOM 891 CE2 TYR A 61 -5.762 -3.825 -9.321 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.546 -4.417 -9.455 1.00 0.00 C ATOM 893 OH TYR A 61 -4.442 -5.516 -10.249 1.00 0.00 O ATOM 0 H TYR A 61 -5.049 1.109 -5.750 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.469 0.349 -8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.242 -1.073 -6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.901 -0.854 -6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.665 -2.414 -7.479 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.828 -2.171 -8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.478 -4.460 -8.960 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.627 -4.219 -9.834 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.320 -5.728 -10.630 1.00 0.00 H new ATOM 902 N ARG A 62 -6.603 1.152 -8.472 1.00 0.00 N ATOM 903 CA ARG A 62 -7.606 1.440 -9.484 1.00 0.00 C ATOM 904 C ARG A 62 -7.056 2.431 -10.510 1.00 0.00 C ATOM 905 O ARG A 62 -7.444 2.403 -11.676 1.00 0.00 O ATOM 906 CB ARG A 62 -8.873 2.021 -8.852 1.00 0.00 C ATOM 907 CG ARG A 62 -9.945 0.943 -8.684 1.00 0.00 C ATOM 908 CD ARG A 62 -11.318 1.462 -9.119 1.00 0.00 C ATOM 909 NE ARG A 62 -11.665 0.921 -10.452 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.166 -0.305 -10.658 1.00 0.00 C ATOM 911 NH1 ARG A 62 -12.382 -1.124 -9.620 1.00 0.00 N ATOM 912 NH2 ARG A 62 -12.451 -0.711 -11.902 1.00 0.00 N ATOM 0 H ARG A 62 -6.877 1.393 -7.519 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.857 0.502 -9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.633 2.455 -7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.258 2.828 -9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.680 0.066 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.986 0.625 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.074 1.169 -8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.311 2.552 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.513 1.518 -11.265 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.165 -0.815 -8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.763 -2.057 -9.777 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.287 -0.087 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.832 -1.644 -12.059 1.00 0.00 H new ATOM 923 N ARG A 63 -6.159 3.286 -10.038 1.00 0.00 N ATOM 924 CA ARG A 63 -5.550 4.284 -10.900 1.00 0.00 C ATOM 925 C ARG A 63 -4.622 3.615 -11.916 1.00 0.00 C ATOM 926 O ARG A 63 -4.463 4.103 -13.034 1.00 0.00 O ATOM 927 CB ARG A 63 -4.751 5.303 -10.085 1.00 0.00 C ATOM 928 CG ARG A 63 -5.658 6.422 -9.567 1.00 0.00 C ATOM 929 CD ARG A 63 -4.835 7.545 -8.932 1.00 0.00 C ATOM 930 NE ARG A 63 -5.719 8.449 -8.165 1.00 0.00 N ATOM 931 CZ ARG A 63 -5.296 9.547 -7.523 1.00 0.00 C ATOM 932 NH1 ARG A 63 -4.000 9.883 -7.551 1.00 0.00 N ATOM 933 NH2 ARG A 63 -6.170 10.309 -6.851 1.00 0.00 N ATOM 0 H ARG A 63 -5.840 3.307 -9.069 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.353 4.803 -11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.267 4.804 -9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.959 5.728 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.253 6.822 -10.388 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.356 6.019 -8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.075 7.123 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.311 8.106 -9.706 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.713 8.223 -8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.334 9.303 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.679 10.719 -7.062 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.157 10.053 -6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.848 11.144 -6.362 1.00 0.00 H new ATOM 944 N ARG A 64 -4.034 2.506 -11.492 1.00 0.00 N ATOM 945 CA ARG A 64 -3.127 1.764 -12.350 1.00 0.00 C ATOM 946 C ARG A 64 -3.882 1.190 -13.551 1.00 0.00 C ATOM 947 O ARG A 64 -3.271 0.809 -14.548 1.00 0.00 O ATOM 948 CB ARG A 64 -2.456 0.622 -11.585 1.00 0.00 C ATOM 949 CG ARG A 64 -1.400 1.157 -10.615 1.00 0.00 C ATOM 950 CD ARG A 64 -0.105 0.348 -10.714 1.00 0.00 C ATOM 951 NE ARG A 64 0.700 0.819 -11.863 1.00 0.00 N ATOM 952 CZ ARG A 64 1.310 2.010 -11.915 1.00 0.00 C ATOM 953 NH1 ARG A 64 1.211 2.859 -10.883 1.00 0.00 N ATOM 954 NH2 ARG A 64 2.020 2.353 -12.998 1.00 0.00 N ATOM 0 H ARG A 64 -4.168 2.103 -10.565 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.359 2.455 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.208 0.057 -11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.992 -0.068 -12.289 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.196 2.205 -10.835 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.783 1.114 -9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.468 0.449 -9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.336 -0.711 -10.831 1.00 0.00 H new ATOM 0 HE ARG A 64 0.796 0.197 -12.666 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.671 2.598 -10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.676 3.766 -10.923 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.096 1.707 -13.784 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.484 3.260 -13.037 1.00 0.00 H new ATOM 965 N PHE A 65 -5.199 1.147 -13.415 1.00 0.00 N ATOM 966 CA PHE A 65 -6.044 0.626 -14.476 1.00 0.00 C ATOM 967 C PHE A 65 -7.522 0.887 -14.178 1.00 0.00 C ATOM 968 O PHE A 65 -8.396 0.452 -14.927 1.00 0.00 O ATOM 969 CB PHE A 65 -5.807 -0.885 -14.536 1.00 0.00 C ATOM 970 CG PHE A 65 -6.628 -1.684 -13.522 1.00 0.00 C ATOM 971 CD1 PHE A 65 -6.742 -1.242 -12.240 1.00 0.00 C ATOM 972 CD2 PHE A 65 -7.243 -2.835 -13.901 1.00 0.00 C ATOM 973 CE1 PHE A 65 -7.504 -1.984 -11.299 1.00 0.00 C ATOM 974 CE2 PHE A 65 -8.005 -3.577 -12.960 1.00 0.00 C ATOM 975 CZ PHE A 65 -8.119 -3.135 -11.678 1.00 0.00 C ATOM 0 H PHE A 65 -5.702 1.464 -12.586 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.800 1.114 -15.420 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.043 -1.240 -15.539 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.748 -1.083 -14.368 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.253 -0.327 -11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.152 -3.186 -14.918 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.595 -1.633 -10.282 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.494 -4.492 -13.262 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.698 -3.699 -10.962 1.00 0.00 H new