USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 651 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 11 ASN : amide:sc= 1.71 K(o=2.5,f=0.51) USER MOD Set 1.2: A 70 TYR OH : rot 22:sc= 0.756 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.00503 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.652 K(o=0.65,f=-0.0045) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -170:sc= -0.107 (180deg=-0.264) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.205) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0538 K(o=-0.054,f=-1) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0126 USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.133 (180deg=-0.65) USER MOD Single : A 46 HIS : no HD1:sc= -1.01 K(o=-1,f=-3.1) USER MOD Single : A 50 MET CE :methyl 143:sc=-0.00277 (180deg=-0.489) USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.1) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0408 (180deg=-0.336) USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= -0.0191 (180deg=-0.19) USER MOD Single : A 74 MET CE :methyl -128:sc=-0.00494 (180deg=-0.376) USER MOD Single : A 78 LYS NZ :NH3+ -141:sc= 1.35 (180deg=0.164) USER MOD Single : A 80 GLN : amide:sc= 0.828 K(o=0.83,f=-10!) USER MOD Single : A 82 MET CE :methyl -136:sc= -0.0331 (180deg=-0.409) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.421 9.179 -0.071 1.00 34.55 N ATOM 2 CA GLY A 1 -18.012 7.904 -0.508 1.00 4.12 C ATOM 3 C GLY A 1 -16.930 6.900 -0.842 1.00 64.31 C ATOM 4 O GLY A 1 -15.987 7.249 -1.550 1.00 41.22 O ATOM 0 H1 GLY A 1 -17.955 9.969 -0.485 1.00 34.55 H new ATOM 0 H2 GLY A 1 -17.459 9.242 0.966 1.00 34.55 H new ATOM 0 H3 GLY A 1 -16.431 9.228 -0.385 1.00 34.55 H new ATOM 0 HA2 GLY A 1 -18.654 7.506 0.278 1.00 4.12 H new ATOM 0 HA3 GLY A 1 -18.643 8.070 -1.381 1.00 4.12 H new ATOM 8 N MET A 2 -17.039 5.669 -0.324 1.00 13.34 N ATOM 9 CA MET A 2 -16.131 4.516 -0.454 1.00 2.34 C ATOM 10 C MET A 2 -14.683 4.750 0.015 1.00 15.33 C ATOM 11 O MET A 2 -13.935 3.791 0.187 1.00 32.54 O ATOM 12 CB MET A 2 -16.123 3.992 -1.905 1.00 1.01 C ATOM 13 CG MET A 2 -17.492 3.539 -2.419 1.00 53.33 C ATOM 14 SD MET A 2 -17.439 2.933 -4.129 1.00 42.13 S ATOM 15 CE MET A 2 -19.052 2.111 -4.248 1.00 52.01 C ATOM 0 H MET A 2 -17.844 5.430 0.254 1.00 13.34 H new ATOM 0 HA MET A 2 -16.542 3.773 0.230 1.00 2.34 H new ATOM 0 HB2 MET A 2 -15.743 4.776 -2.560 1.00 1.01 H new ATOM 0 HB3 MET A 2 -15.427 3.156 -1.973 1.00 1.01 H new ATOM 0 HG2 MET A 2 -17.875 2.751 -1.771 1.00 53.33 H new ATOM 0 HG3 MET A 2 -18.192 4.372 -2.356 1.00 53.33 H new ATOM 0 HE1 MET A 2 -19.171 1.686 -5.244 1.00 52.01 H new ATOM 0 HE2 MET A 2 -19.111 1.316 -3.505 1.00 52.01 H new ATOM 0 HE3 MET A 2 -19.845 2.837 -4.066 1.00 52.01 H new ATOM 25 N GLN A 3 -14.247 5.997 0.192 1.00 72.40 N ATOM 26 CA GLN A 3 -12.849 6.369 0.072 1.00 75.51 C ATOM 27 C GLN A 3 -11.963 5.791 1.167 1.00 2.42 C ATOM 28 O GLN A 3 -10.862 5.378 0.853 1.00 42.31 O ATOM 29 CB GLN A 3 -12.723 7.895 -0.007 1.00 74.13 C ATOM 30 CG GLN A 3 -11.701 8.221 -1.096 1.00 64.13 C ATOM 31 CD GLN A 3 -11.259 9.666 -1.021 1.00 2.35 C ATOM 32 OE1 GLN A 3 -11.896 10.565 -1.576 1.00 3.14 O ATOM 33 NE2 GLN A 3 -10.194 9.903 -0.290 1.00 3.23 N ATOM 0 H GLN A 3 -14.862 6.777 0.424 1.00 72.40 H new ATOM 0 HA GLN A 3 -12.480 5.926 -0.853 1.00 75.51 H new ATOM 0 HB2 GLN A 3 -13.687 8.347 -0.240 1.00 74.13 H new ATOM 0 HB3 GLN A 3 -12.403 8.303 0.952 1.00 74.13 H new ATOM 0 HG2 GLN A 3 -10.835 7.568 -0.992 1.00 64.13 H new ATOM 0 HG3 GLN A 3 -12.135 8.022 -2.076 1.00 64.13 H new ATOM 0 HE21 GLN A 3 -9.696 9.130 0.152 1.00 3.23 H new ATOM 0 HE22 GLN A 3 -9.865 10.860 -0.164 1.00 3.23 H new ATOM 42 N PHE A 4 -12.467 5.678 2.394 1.00 62.13 N ATOM 43 CA PHE A 4 -11.819 5.213 3.627 1.00 63.42 C ATOM 44 C PHE A 4 -11.738 3.698 3.595 1.00 33.12 C ATOM 45 O PHE A 4 -10.713 3.086 3.904 1.00 1.01 O ATOM 46 CB PHE A 4 -12.636 5.591 4.864 1.00 33.32 C ATOM 47 CG PHE A 4 -12.081 6.740 5.665 1.00 42.34 C ATOM 48 CD1 PHE A 4 -11.797 7.966 5.037 1.00 21.24 C ATOM 49 CD2 PHE A 4 -11.807 6.567 7.033 1.00 34.31 C ATOM 50 CE1 PHE A 4 -11.255 9.023 5.784 1.00 13.03 C ATOM 51 CE2 PHE A 4 -11.276 7.633 7.776 1.00 34.11 C ATOM 52 CZ PHE A 4 -11.026 8.873 7.162 1.00 31.25 C ATOM 0 H PHE A 4 -13.438 5.935 2.571 1.00 62.13 H new ATOM 0 HA PHE A 4 -10.834 5.677 3.683 1.00 63.42 H new ATOM 0 HB2 PHE A 4 -13.649 5.842 4.549 1.00 33.32 H new ATOM 0 HB3 PHE A 4 -12.711 4.718 5.512 1.00 33.32 H new ATOM 0 HD1 PHE A 4 -11.995 8.094 3.983 1.00 21.24 H new ATOM 0 HD2 PHE A 4 -12.004 5.618 7.510 1.00 34.31 H new ATOM 0 HE1 PHE A 4 -11.013 9.956 5.297 1.00 13.03 H new ATOM 0 HE2 PHE A 4 -11.058 7.500 8.825 1.00 34.11 H new ATOM 0 HZ PHE A 4 -10.660 9.705 7.746 1.00 31.25 H new ATOM 62 N LYS A 5 -12.866 3.073 3.246 1.00 73.10 N ATOM 63 CA LYS A 5 -12.913 1.636 3.048 1.00 12.13 C ATOM 64 C LYS A 5 -11.844 1.265 2.026 1.00 13.03 C ATOM 65 O LYS A 5 -11.010 0.399 2.297 1.00 2.33 O ATOM 66 CB LYS A 5 -14.313 1.186 2.623 1.00 44.00 C ATOM 67 CG LYS A 5 -15.242 0.978 3.826 1.00 51.34 C ATOM 68 CD LYS A 5 -14.904 -0.264 4.676 1.00 11.05 C ATOM 69 CE LYS A 5 -14.375 0.151 6.054 1.00 71.23 C ATOM 70 NZ LYS A 5 -14.445 -0.934 7.055 1.00 72.34 N ATOM 0 H LYS A 5 -13.756 3.548 3.096 1.00 73.10 H new ATOM 0 HA LYS A 5 -12.704 1.115 3.982 1.00 12.13 H new ATOM 0 HB2 LYS A 5 -14.746 1.931 1.956 1.00 44.00 H new ATOM 0 HB3 LYS A 5 -14.239 0.257 2.058 1.00 44.00 H new ATOM 0 HG2 LYS A 5 -15.199 1.862 4.462 1.00 51.34 H new ATOM 0 HG3 LYS A 5 -16.268 0.892 3.468 1.00 51.34 H new ATOM 0 HD2 LYS A 5 -15.793 -0.883 4.794 1.00 11.05 H new ATOM 0 HD3 LYS A 5 -14.158 -0.871 4.162 1.00 11.05 H new ATOM 0 HE2 LYS A 5 -13.340 0.479 5.955 1.00 71.23 H new ATOM 0 HE3 LYS A 5 -14.948 1.006 6.414 1.00 71.23 H new ATOM 0 HZ1 LYS A 5 -14.074 -0.592 7.964 1.00 72.34 H new ATOM 0 HZ2 LYS A 5 -15.434 -1.232 7.175 1.00 72.34 H new ATOM 0 HZ3 LYS A 5 -13.877 -1.742 6.731 1.00 72.34 H new ATOM 84 N ALA A 6 -11.854 1.956 0.883 1.00 22.24 N ATOM 85 CA ALA A 6 -10.885 1.776 -0.180 1.00 0.04 C ATOM 86 C ALA A 6 -9.489 2.167 0.290 1.00 13.41 C ATOM 87 O ALA A 6 -8.551 1.491 -0.105 1.00 24.12 O ATOM 88 CB ALA A 6 -11.295 2.595 -1.409 1.00 13.43 C ATOM 0 H ALA A 6 -12.554 2.669 0.675 1.00 22.24 H new ATOM 0 HA ALA A 6 -10.862 0.722 -0.456 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -10.561 2.453 -2.202 1.00 13.43 H new ATOM 0 HB2 ALA A 6 -12.274 2.264 -1.757 1.00 13.43 H new ATOM 0 HB3 ALA A 6 -11.343 3.651 -1.143 1.00 13.43 H new ATOM 94 N GLU A 7 -9.335 3.215 1.110 1.00 42.30 N ATOM 95 CA GLU A 7 -8.021 3.725 1.547 1.00 53.31 C ATOM 96 C GLU A 7 -7.215 2.601 2.200 1.00 24.31 C ATOM 97 O GLU A 7 -6.182 2.176 1.680 1.00 42.40 O ATOM 98 CB GLU A 7 -8.201 4.937 2.490 1.00 12.13 C ATOM 99 CG GLU A 7 -8.174 6.315 1.793 1.00 0.42 C ATOM 100 CD GLU A 7 -9.114 7.331 2.456 1.00 54.14 C ATOM 101 OE1 GLU A 7 -9.127 7.395 3.705 1.00 23.15 O ATOM 102 OE2 GLU A 7 -9.875 8.037 1.750 1.00 72.31 O ATOM 0 H GLU A 7 -10.122 3.739 1.493 1.00 42.30 H new ATOM 0 HA GLU A 7 -7.459 4.072 0.680 1.00 53.31 H new ATOM 0 HB2 GLU A 7 -9.150 4.831 3.016 1.00 12.13 H new ATOM 0 HB3 GLU A 7 -7.414 4.912 3.244 1.00 12.13 H new ATOM 0 HG2 GLU A 7 -7.156 6.705 1.806 1.00 0.42 H new ATOM 0 HG3 GLU A 7 -8.455 6.194 0.747 1.00 0.42 H new ATOM 109 N ALA A 8 -7.733 2.021 3.285 1.00 31.32 N ATOM 110 CA ALA A 8 -7.005 0.967 3.984 1.00 42.41 C ATOM 111 C ALA A 8 -6.735 -0.235 3.071 1.00 61.53 C ATOM 112 O ALA A 8 -5.656 -0.827 3.133 1.00 14.35 O ATOM 113 CB ALA A 8 -7.764 0.545 5.238 1.00 31.54 C ATOM 0 H ALA A 8 -8.638 2.260 3.691 1.00 31.32 H new ATOM 0 HA ALA A 8 -6.036 1.367 4.282 1.00 42.41 H new ATOM 0 HB1 ALA A 8 -7.211 -0.242 5.751 1.00 31.54 H new ATOM 0 HB2 ALA A 8 -7.875 1.402 5.902 1.00 31.54 H new ATOM 0 HB3 ALA A 8 -8.750 0.173 4.959 1.00 31.54 H new ATOM 119 N ARG A 9 -7.687 -0.596 2.197 1.00 2.05 N ATOM 120 CA ARG A 9 -7.509 -1.732 1.294 1.00 34.31 C ATOM 121 C ARG A 9 -6.448 -1.440 0.233 1.00 73.23 C ATOM 122 O ARG A 9 -5.720 -2.355 -0.150 1.00 14.02 O ATOM 123 CB ARG A 9 -8.870 -2.166 0.711 1.00 51.12 C ATOM 124 CG ARG A 9 -8.875 -3.523 -0.023 1.00 64.50 C ATOM 125 CD ARG A 9 -8.181 -4.647 0.764 1.00 55.31 C ATOM 126 NE ARG A 9 -8.592 -5.996 0.348 1.00 71.40 N ATOM 127 CZ ARG A 9 -9.494 -6.813 0.914 1.00 40.41 C ATOM 128 NH1 ARG A 9 -10.317 -6.383 1.863 1.00 2.33 N ATOM 129 NH2 ARG A 9 -9.541 -8.076 0.508 1.00 13.31 N ATOM 0 H ARG A 9 -8.582 -0.117 2.100 1.00 2.05 H new ATOM 0 HA ARG A 9 -7.125 -2.583 1.857 1.00 34.31 H new ATOM 0 HB2 ARG A 9 -9.596 -2.209 1.523 1.00 51.12 H new ATOM 0 HB3 ARG A 9 -9.211 -1.397 0.018 1.00 51.12 H new ATOM 0 HG2 ARG A 9 -9.906 -3.814 -0.225 1.00 64.50 H new ATOM 0 HG3 ARG A 9 -8.381 -3.407 -0.988 1.00 64.50 H new ATOM 0 HD2 ARG A 9 -7.102 -4.551 0.643 1.00 55.31 H new ATOM 0 HD3 ARG A 9 -8.395 -4.522 1.825 1.00 55.31 H new ATOM 0 HE ARG A 9 -8.128 -6.361 -0.484 1.00 71.40 H new ATOM 0 HH11 ARG A 9 -10.272 -5.413 2.176 1.00 2.33 H new ATOM 0 HH12 ARG A 9 -10.994 -7.022 2.279 1.00 2.33 H new ATOM 0 HH21 ARG A 9 -8.902 -8.403 -0.216 1.00 13.31 H new ATOM 0 HH22 ARG A 9 -10.216 -8.719 0.921 1.00 13.31 H new ATOM 143 N ARG A 10 -6.308 -0.186 -0.213 1.00 44.22 N ATOM 144 CA ARG A 10 -5.242 0.272 -1.104 1.00 60.11 C ATOM 145 C ARG A 10 -3.914 -0.041 -0.424 1.00 23.32 C ATOM 146 O ARG A 10 -3.116 -0.799 -0.973 1.00 74.31 O ATOM 147 CB ARG A 10 -5.425 1.780 -1.414 1.00 61.14 C ATOM 148 CG ARG A 10 -4.738 2.287 -2.698 1.00 54.42 C ATOM 149 CD ARG A 10 -4.374 3.783 -2.573 1.00 74.12 C ATOM 150 NE ARG A 10 -5.522 4.709 -2.572 1.00 13.04 N ATOM 151 CZ ARG A 10 -5.443 6.032 -2.329 1.00 71.52 C ATOM 152 NH1 ARG A 10 -4.291 6.626 -2.021 1.00 74.14 N ATOM 153 NH2 ARG A 10 -6.554 6.760 -2.380 1.00 33.52 N ATOM 0 H ARG A 10 -6.955 0.559 0.046 1.00 44.22 H new ATOM 0 HA ARG A 10 -5.269 -0.239 -2.066 1.00 60.11 H new ATOM 0 HB2 ARG A 10 -6.492 1.990 -1.488 1.00 61.14 H new ATOM 0 HB3 ARG A 10 -5.045 2.354 -0.569 1.00 61.14 H new ATOM 0 HG2 ARG A 10 -3.837 1.704 -2.888 1.00 54.42 H new ATOM 0 HG3 ARG A 10 -5.399 2.139 -3.552 1.00 54.42 H new ATOM 0 HD2 ARG A 10 -3.810 3.928 -1.652 1.00 74.12 H new ATOM 0 HD3 ARG A 10 -3.713 4.050 -3.397 1.00 74.12 H new ATOM 0 HE ARG A 10 -6.444 4.319 -2.770 1.00 13.04 H new ATOM 0 HH11 ARG A 10 -3.433 6.077 -1.963 1.00 74.14 H new ATOM 0 HH12 ARG A 10 -4.267 7.630 -1.843 1.00 74.14 H new ATOM 0 HH21 ARG A 10 -7.445 6.316 -2.600 1.00 33.52 H new ATOM 0 HH22 ARG A 10 -6.515 7.763 -2.199 1.00 33.52 H new ATOM 167 N ASN A 11 -3.699 0.474 0.788 1.00 23.35 N ATOM 168 CA ASN A 11 -2.416 0.311 1.471 1.00 14.03 C ATOM 169 C ASN A 11 -2.138 -1.150 1.837 1.00 3.22 C ATOM 170 O ASN A 11 -1.010 -1.604 1.662 1.00 13.41 O ATOM 171 CB ASN A 11 -2.313 1.228 2.696 1.00 43.31 C ATOM 172 CG ASN A 11 -2.447 2.693 2.321 1.00 2.11 C ATOM 173 OD1 ASN A 11 -1.706 3.186 1.476 1.00 71.41 O ATOM 174 ND2 ASN A 11 -3.425 3.384 2.868 1.00 60.10 N ATOM 0 H ASN A 11 -4.393 1.005 1.314 1.00 23.35 H new ATOM 0 HA ASN A 11 -1.641 0.613 0.767 1.00 14.03 H new ATOM 0 HB2 ASN A 11 -3.091 0.964 3.413 1.00 43.31 H new ATOM 0 HB3 ASN A 11 -1.355 1.066 3.191 1.00 43.31 H new ATOM 0 HD21 ASN A 11 -3.581 4.353 2.592 1.00 60.10 H new ATOM 0 HD22 ASN A 11 -4.027 2.950 3.568 1.00 60.10 H new ATOM 181 N LYS A 12 -3.142 -1.926 2.274 1.00 51.12 N ATOM 182 CA LYS A 12 -3.003 -3.373 2.502 1.00 72.23 C ATOM 183 C LYS A 12 -2.406 -4.039 1.266 1.00 40.03 C ATOM 184 O LYS A 12 -1.354 -4.676 1.342 1.00 15.22 O ATOM 185 CB LYS A 12 -4.363 -4.001 2.891 1.00 3.11 C ATOM 186 CG LYS A 12 -4.392 -5.538 2.749 1.00 74.41 C ATOM 187 CD LYS A 12 -5.657 -6.170 3.345 1.00 74.24 C ATOM 188 CE LYS A 12 -5.762 -7.643 2.914 1.00 21.32 C ATOM 189 NZ LYS A 12 -6.668 -8.416 3.786 1.00 13.03 N ATOM 0 H LYS A 12 -4.074 -1.567 2.480 1.00 51.12 H new ATOM 0 HA LYS A 12 -2.322 -3.538 3.337 1.00 72.23 H new ATOM 0 HB2 LYS A 12 -4.596 -3.734 3.922 1.00 3.11 H new ATOM 0 HB3 LYS A 12 -5.145 -3.571 2.266 1.00 3.11 H new ATOM 0 HG2 LYS A 12 -4.323 -5.801 1.694 1.00 74.41 H new ATOM 0 HG3 LYS A 12 -3.515 -5.960 3.241 1.00 74.41 H new ATOM 0 HD2 LYS A 12 -5.630 -6.102 4.433 1.00 74.24 H new ATOM 0 HD3 LYS A 12 -6.539 -5.622 3.013 1.00 74.24 H new ATOM 0 HE2 LYS A 12 -6.119 -7.694 1.885 1.00 21.32 H new ATOM 0 HE3 LYS A 12 -4.771 -8.096 2.930 1.00 21.32 H new ATOM 0 HZ1 LYS A 12 -6.708 -9.402 3.458 1.00 13.03 H new ATOM 0 HZ2 LYS A 12 -6.315 -8.390 4.764 1.00 13.03 H new ATOM 0 HZ3 LYS A 12 -7.621 -8.001 3.751 1.00 13.03 H new ATOM 203 N LEU A 13 -3.080 -3.880 0.126 1.00 71.34 N ATOM 204 CA LEU A 13 -2.671 -4.505 -1.122 1.00 0.05 C ATOM 205 C LEU A 13 -1.265 -4.061 -1.520 1.00 54.44 C ATOM 206 O LEU A 13 -0.488 -4.883 -2.008 1.00 75.44 O ATOM 207 CB LEU A 13 -3.684 -4.170 -2.223 1.00 33.53 C ATOM 208 CG LEU A 13 -5.027 -4.904 -2.101 1.00 21.21 C ATOM 209 CD1 LEU A 13 -5.950 -4.395 -3.206 1.00 52.10 C ATOM 210 CD2 LEU A 13 -4.817 -6.399 -2.296 1.00 34.35 C ATOM 0 H LEU A 13 -3.924 -3.313 0.047 1.00 71.34 H new ATOM 0 HA LEU A 13 -2.646 -5.586 -0.983 1.00 0.05 H new ATOM 0 HB2 LEU A 13 -3.870 -3.096 -2.213 1.00 33.53 H new ATOM 0 HB3 LEU A 13 -3.241 -4.408 -3.190 1.00 33.53 H new ATOM 0 HG LEU A 13 -5.459 -4.723 -1.117 1.00 21.21 H new ATOM 0 HD11 LEU A 13 -6.912 -4.903 -3.139 1.00 52.10 H new ATOM 0 HD12 LEU A 13 -6.098 -3.321 -3.091 1.00 52.10 H new ATOM 0 HD13 LEU A 13 -5.500 -4.597 -4.178 1.00 52.10 H new ATOM 0 HD21 LEU A 13 -5.773 -6.915 -2.208 1.00 34.35 H new ATOM 0 HD22 LEU A 13 -4.395 -6.581 -3.284 1.00 34.35 H new ATOM 0 HD23 LEU A 13 -4.132 -6.773 -1.535 1.00 34.35 H new ATOM 222 N MET A 14 -0.926 -2.781 -1.326 1.00 2.31 N ATOM 223 CA MET A 14 0.405 -2.281 -1.607 1.00 34.24 C ATOM 224 C MET A 14 1.421 -3.015 -0.744 1.00 60.34 C ATOM 225 O MET A 14 2.392 -3.548 -1.276 1.00 11.23 O ATOM 226 CB MET A 14 0.442 -0.770 -1.371 1.00 23.44 C ATOM 227 CG MET A 14 1.780 -0.148 -1.785 1.00 13.34 C ATOM 228 SD MET A 14 2.227 -0.388 -3.524 1.00 23.51 S ATOM 229 CE MET A 14 3.720 0.636 -3.556 1.00 11.43 C ATOM 0 H MET A 14 -1.570 -2.074 -0.971 1.00 2.31 H new ATOM 0 HA MET A 14 0.663 -2.464 -2.650 1.00 34.24 H new ATOM 0 HB2 MET A 14 -0.364 -0.297 -1.932 1.00 23.44 H new ATOM 0 HB3 MET A 14 0.260 -0.565 -0.316 1.00 23.44 H new ATOM 0 HG2 MET A 14 1.746 0.922 -1.578 1.00 13.34 H new ATOM 0 HG3 MET A 14 2.568 -0.569 -1.161 1.00 13.34 H new ATOM 0 HE1 MET A 14 4.051 0.764 -4.586 1.00 11.43 H new ATOM 0 HE2 MET A 14 3.502 1.611 -3.121 1.00 11.43 H new ATOM 0 HE3 MET A 14 4.507 0.150 -2.980 1.00 11.43 H new ATOM 239 N GLY A 15 1.210 -3.091 0.572 1.00 41.10 N ATOM 240 CA GLY A 15 2.209 -3.670 1.453 1.00 42.21 C ATOM 241 C GLY A 15 2.465 -5.141 1.172 1.00 43.20 C ATOM 242 O GLY A 15 3.592 -5.573 1.370 1.00 41.10 O ATOM 0 H GLY A 15 0.366 -2.762 1.040 1.00 41.10 H new ATOM 0 HA2 GLY A 15 3.143 -3.118 1.348 1.00 42.21 H new ATOM 0 HA3 GLY A 15 1.885 -3.554 2.487 1.00 42.21 H new ATOM 246 N LEU A 16 1.484 -5.893 0.668 1.00 60.50 N ATOM 247 CA LEU A 16 1.686 -7.281 0.261 1.00 61.52 C ATOM 248 C LEU A 16 2.671 -7.399 -0.907 1.00 43.04 C ATOM 249 O LEU A 16 3.436 -8.363 -0.962 1.00 3.44 O ATOM 250 CB LEU A 16 0.336 -7.900 -0.128 1.00 61.14 C ATOM 251 CG LEU A 16 -0.579 -8.221 1.068 1.00 52.30 C ATOM 252 CD1 LEU A 16 -1.962 -8.610 0.538 1.00 22.54 C ATOM 253 CD2 LEU A 16 -0.014 -9.358 1.928 1.00 1.14 C ATOM 0 H LEU A 16 0.531 -5.556 0.532 1.00 60.50 H new ATOM 0 HA LEU A 16 2.116 -7.820 1.105 1.00 61.52 H new ATOM 0 HB2 LEU A 16 -0.186 -7.215 -0.797 1.00 61.14 H new ATOM 0 HB3 LEU A 16 0.517 -8.817 -0.689 1.00 61.14 H new ATOM 0 HG LEU A 16 -0.646 -7.336 1.700 1.00 52.30 H new ATOM 0 HD11 LEU A 16 -2.621 -8.840 1.375 1.00 22.54 H new ATOM 0 HD12 LEU A 16 -2.379 -7.781 -0.034 1.00 22.54 H new ATOM 0 HD13 LEU A 16 -1.872 -9.486 -0.105 1.00 22.54 H new ATOM 0 HD21 LEU A 16 -0.689 -9.554 2.761 1.00 1.14 H new ATOM 0 HD22 LEU A 16 0.085 -10.258 1.322 1.00 1.14 H new ATOM 0 HD23 LEU A 16 0.964 -9.071 2.313 1.00 1.14 H new ATOM 265 N TRP A 17 2.665 -6.438 -1.838 1.00 53.32 N ATOM 266 CA TRP A 17 3.683 -6.339 -2.881 1.00 72.42 C ATOM 267 C TRP A 17 5.015 -5.971 -2.226 1.00 52.32 C ATOM 268 O TRP A 17 5.982 -6.719 -2.315 1.00 14.35 O ATOM 269 CB TRP A 17 3.260 -5.320 -3.957 1.00 33.13 C ATOM 270 CG TRP A 17 4.266 -5.066 -5.039 1.00 63.13 C ATOM 271 CD1 TRP A 17 4.611 -5.939 -6.010 1.00 20.24 C ATOM 272 CD2 TRP A 17 5.074 -3.873 -5.291 1.00 24.02 C ATOM 273 NE1 TRP A 17 5.591 -5.391 -6.808 1.00 72.43 N ATOM 274 CE2 TRP A 17 5.915 -4.117 -6.415 1.00 55.34 C ATOM 275 CE3 TRP A 17 5.155 -2.588 -4.715 1.00 33.55 C ATOM 276 CZ2 TRP A 17 6.808 -3.159 -6.916 1.00 73.12 C ATOM 277 CZ3 TRP A 17 6.033 -1.611 -5.221 1.00 71.03 C ATOM 278 CH2 TRP A 17 6.868 -1.893 -6.316 1.00 23.33 C ATOM 0 H TRP A 17 1.953 -5.709 -1.886 1.00 53.32 H new ATOM 0 HA TRP A 17 3.798 -7.296 -3.390 1.00 72.42 H new ATOM 0 HB2 TRP A 17 2.336 -5.669 -4.419 1.00 33.13 H new ATOM 0 HB3 TRP A 17 3.034 -4.373 -3.466 1.00 33.13 H new ATOM 0 HD1 TRP A 17 4.182 -6.921 -6.141 1.00 20.24 H new ATOM 0 HE1 TRP A 17 6.023 -5.874 -7.596 1.00 72.43 H new ATOM 0 HE3 TRP A 17 4.530 -2.349 -3.867 1.00 33.55 H new ATOM 0 HZ2 TRP A 17 7.444 -3.394 -7.757 1.00 73.12 H new ATOM 0 HZ3 TRP A 17 6.065 -0.634 -4.763 1.00 71.03 H new ATOM 0 HH2 TRP A 17 7.548 -1.143 -6.691 1.00 23.33 H new ATOM 289 N VAL A 18 5.060 -4.840 -1.522 1.00 11.35 N ATOM 290 CA VAL A 18 6.282 -4.262 -0.968 1.00 34.15 C ATOM 291 C VAL A 18 7.039 -5.266 -0.094 1.00 13.04 C ATOM 292 O VAL A 18 8.239 -5.451 -0.266 1.00 40.31 O ATOM 293 CB VAL A 18 5.924 -2.999 -0.177 1.00 31.42 C ATOM 294 CG1 VAL A 18 7.155 -2.380 0.472 1.00 61.43 C ATOM 295 CG2 VAL A 18 5.257 -1.904 -1.019 1.00 14.33 C ATOM 0 H VAL A 18 4.227 -4.288 -1.317 1.00 11.35 H new ATOM 0 HA VAL A 18 6.949 -3.999 -1.788 1.00 34.15 H new ATOM 0 HB VAL A 18 5.212 -3.346 0.572 1.00 31.42 H new ATOM 0 HG11 VAL A 18 6.865 -1.487 1.025 1.00 61.43 H new ATOM 0 HG12 VAL A 18 7.606 -3.099 1.156 1.00 61.43 H new ATOM 0 HG13 VAL A 18 7.877 -2.111 -0.299 1.00 61.43 H new ATOM 0 HG21 VAL A 18 5.035 -1.044 -0.387 1.00 14.33 H new ATOM 0 HG22 VAL A 18 5.930 -1.601 -1.821 1.00 14.33 H new ATOM 0 HG23 VAL A 18 4.331 -2.288 -1.448 1.00 14.33 H new ATOM 305 N ALA A 19 6.349 -5.896 0.856 1.00 22.32 N ATOM 306 CA ALA A 19 6.867 -6.969 1.691 1.00 40.41 C ATOM 307 C ALA A 19 7.572 -8.035 0.856 1.00 51.11 C ATOM 308 O ALA A 19 8.741 -8.335 1.096 1.00 13.41 O ATOM 309 CB ALA A 19 5.685 -7.537 2.475 1.00 62.53 C ATOM 0 H ALA A 19 5.380 -5.662 1.070 1.00 22.32 H new ATOM 0 HA ALA A 19 7.624 -6.592 2.379 1.00 40.41 H new ATOM 0 HB1 ALA A 19 6.030 -8.348 3.117 1.00 62.53 H new ATOM 0 HB2 ALA A 19 5.244 -6.751 3.088 1.00 62.53 H new ATOM 0 HB3 ALA A 19 4.937 -7.918 1.780 1.00 62.53 H new ATOM 315 N GLU A 20 6.891 -8.584 -0.143 1.00 54.04 N ATOM 316 CA GLU A 20 7.462 -9.606 -0.996 1.00 3.01 C ATOM 317 C GLU A 20 8.694 -9.088 -1.755 1.00 0.11 C ATOM 318 O GLU A 20 9.677 -9.819 -1.896 1.00 3.04 O ATOM 319 CB GLU A 20 6.353 -10.107 -1.920 1.00 42.03 C ATOM 320 CG GLU A 20 6.904 -11.060 -2.977 1.00 64.14 C ATOM 321 CD GLU A 20 5.792 -11.608 -3.855 1.00 31.21 C ATOM 322 OE1 GLU A 20 4.750 -12.078 -3.335 1.00 60.22 O ATOM 323 OE2 GLU A 20 5.887 -11.437 -5.092 1.00 41.23 O ATOM 0 H GLU A 20 5.932 -8.331 -0.380 1.00 54.04 H new ATOM 0 HA GLU A 20 7.834 -10.440 -0.401 1.00 3.01 H new ATOM 0 HB2 GLU A 20 5.588 -10.614 -1.332 1.00 42.03 H new ATOM 0 HB3 GLU A 20 5.871 -9.259 -2.407 1.00 42.03 H new ATOM 0 HG2 GLU A 20 7.635 -10.539 -3.595 1.00 64.14 H new ATOM 0 HG3 GLU A 20 7.427 -11.884 -2.491 1.00 64.14 H new ATOM 330 N VAL A 21 8.668 -7.842 -2.232 1.00 55.24 N ATOM 331 CA VAL A 21 9.821 -7.189 -2.854 1.00 71.13 C ATOM 332 C VAL A 21 10.990 -7.137 -1.859 1.00 22.10 C ATOM 333 O VAL A 21 12.118 -7.465 -2.236 1.00 11.22 O ATOM 334 CB VAL A 21 9.437 -5.794 -3.405 1.00 51.13 C ATOM 335 CG1 VAL A 21 10.652 -4.997 -3.907 1.00 64.01 C ATOM 336 CG2 VAL A 21 8.425 -5.887 -4.562 1.00 43.24 C ATOM 0 H VAL A 21 7.837 -7.252 -2.197 1.00 55.24 H new ATOM 0 HA VAL A 21 10.150 -7.774 -3.713 1.00 71.13 H new ATOM 0 HB VAL A 21 8.990 -5.274 -2.558 1.00 51.13 H new ATOM 0 HG11 VAL A 21 10.322 -4.028 -4.282 1.00 64.01 H new ATOM 0 HG12 VAL A 21 11.354 -4.849 -3.087 1.00 64.01 H new ATOM 0 HG13 VAL A 21 11.142 -5.548 -4.709 1.00 64.01 H new ATOM 0 HG21 VAL A 21 8.185 -4.885 -4.917 1.00 43.24 H new ATOM 0 HG22 VAL A 21 8.857 -6.467 -5.378 1.00 43.24 H new ATOM 0 HG23 VAL A 21 7.516 -6.375 -4.212 1.00 43.24 H new ATOM 346 N LEU A 22 10.749 -6.773 -0.594 1.00 13.32 N ATOM 347 CA LEU A 22 11.780 -6.747 0.441 1.00 75.43 C ATOM 348 C LEU A 22 12.375 -8.127 0.710 1.00 43.11 C ATOM 349 O LEU A 22 13.540 -8.191 1.090 1.00 14.14 O ATOM 350 CB LEU A 22 11.250 -6.137 1.755 1.00 42.41 C ATOM 351 CG LEU A 22 11.312 -4.600 1.837 1.00 72.32 C ATOM 352 CD1 LEU A 22 11.006 -4.142 3.262 1.00 73.34 C ATOM 353 CD2 LEU A 22 12.677 -4.024 1.449 1.00 15.04 C ATOM 0 H LEU A 22 9.828 -6.488 -0.262 1.00 13.32 H new ATOM 0 HA LEU A 22 12.577 -6.111 0.055 1.00 75.43 H new ATOM 0 HB2 LEU A 22 10.215 -6.451 1.891 1.00 42.41 H new ATOM 0 HB3 LEU A 22 11.820 -6.552 2.586 1.00 42.41 H new ATOM 0 HG LEU A 22 10.572 -4.234 1.125 1.00 72.32 H new ATOM 0 HD11 LEU A 22 11.052 -3.054 3.312 1.00 73.34 H new ATOM 0 HD12 LEU A 22 10.008 -4.477 3.545 1.00 73.34 H new ATOM 0 HD13 LEU A 22 11.740 -4.568 3.947 1.00 73.34 H new ATOM 0 HD21 LEU A 22 12.649 -2.937 1.529 1.00 15.04 H new ATOM 0 HD22 LEU A 22 13.442 -4.418 2.118 1.00 15.04 H new ATOM 0 HD23 LEU A 22 12.913 -4.306 0.423 1.00 15.04 H new ATOM 365 N GLY A 23 11.623 -9.208 0.492 1.00 40.41 N ATOM 366 CA GLY A 23 12.015 -10.543 0.934 1.00 31.54 C ATOM 367 C GLY A 23 11.284 -10.966 2.204 1.00 41.33 C ATOM 368 O GLY A 23 11.616 -11.995 2.790 1.00 75.15 O ATOM 0 H GLY A 23 10.727 -9.180 0.005 1.00 40.41 H new ATOM 0 HA2 GLY A 23 11.808 -11.262 0.141 1.00 31.54 H new ATOM 0 HA3 GLY A 23 13.090 -10.564 1.111 1.00 31.54 H new ATOM 372 N LYS A 24 10.285 -10.197 2.643 1.00 12.31 N ATOM 373 CA LYS A 24 9.373 -10.657 3.672 1.00 15.24 C ATOM 374 C LYS A 24 8.507 -11.775 3.102 1.00 55.12 C ATOM 375 O LYS A 24 8.241 -11.852 1.896 1.00 72.54 O ATOM 376 CB LYS A 24 8.507 -9.510 4.193 1.00 13.35 C ATOM 377 CG LYS A 24 9.304 -8.361 4.827 1.00 72.41 C ATOM 378 CD LYS A 24 8.352 -7.348 5.480 1.00 75.40 C ATOM 379 CE LYS A 24 9.025 -6.556 6.604 1.00 52.13 C ATOM 380 NZ LYS A 24 10.075 -5.639 6.130 1.00 52.40 N ATOM 0 H LYS A 24 10.094 -9.256 2.298 1.00 12.31 H new ATOM 0 HA LYS A 24 9.948 -11.037 4.517 1.00 15.24 H new ATOM 0 HB2 LYS A 24 7.913 -9.115 3.369 1.00 13.35 H new ATOM 0 HB3 LYS A 24 7.808 -9.903 4.931 1.00 13.35 H new ATOM 0 HG2 LYS A 24 9.993 -8.756 5.573 1.00 72.41 H new ATOM 0 HG3 LYS A 24 9.908 -7.865 4.067 1.00 72.41 H new ATOM 0 HD2 LYS A 24 7.985 -6.657 4.721 1.00 75.40 H new ATOM 0 HD3 LYS A 24 7.484 -7.874 5.879 1.00 75.40 H new ATOM 0 HE2 LYS A 24 8.267 -5.983 7.138 1.00 52.13 H new ATOM 0 HE3 LYS A 24 9.459 -7.254 7.320 1.00 52.13 H new ATOM 0 HZ1 LYS A 24 10.634 -5.303 6.940 1.00 52.40 H new ATOM 0 HZ2 LYS A 24 10.697 -6.139 5.463 1.00 52.40 H new ATOM 0 HZ3 LYS A 24 9.636 -4.827 5.651 1.00 52.40 H new ATOM 394 N SER A 25 8.015 -12.611 3.997 1.00 35.44 N ATOM 395 CA SER A 25 7.209 -13.783 3.701 1.00 22.42 C ATOM 396 C SER A 25 6.479 -14.174 4.982 1.00 22.15 C ATOM 397 O SER A 25 6.787 -13.626 6.045 1.00 62.21 O ATOM 398 CB SER A 25 8.139 -14.904 3.212 1.00 44.14 C ATOM 399 OG SER A 25 9.374 -14.943 3.913 1.00 1.41 O ATOM 0 H SER A 25 8.173 -12.487 4.997 1.00 35.44 H new ATOM 0 HA SER A 25 6.474 -13.590 2.919 1.00 22.42 H new ATOM 0 HB2 SER A 25 7.633 -15.863 3.323 1.00 44.14 H new ATOM 0 HB3 SER A 25 8.335 -14.769 2.148 1.00 44.14 H new ATOM 0 HG SER A 25 9.925 -15.674 3.564 1.00 1.41 H new ATOM 405 N GLY A 26 5.564 -15.139 4.920 1.00 11.33 N ATOM 406 CA GLY A 26 4.837 -15.618 6.086 1.00 54.33 C ATOM 407 C GLY A 26 4.119 -14.470 6.796 1.00 2.21 C ATOM 408 O GLY A 26 3.531 -13.599 6.145 1.00 72.41 O ATOM 0 H GLY A 26 5.307 -15.611 4.053 1.00 11.33 H new ATOM 0 HA2 GLY A 26 4.111 -16.372 5.782 1.00 54.33 H new ATOM 0 HA3 GLY A 26 5.528 -16.101 6.776 1.00 54.33 H new ATOM 412 N ASP A 27 4.162 -14.482 8.127 1.00 45.11 N ATOM 413 CA ASP A 27 3.512 -13.495 8.982 1.00 65.41 C ATOM 414 C ASP A 27 4.193 -12.138 8.830 1.00 13.22 C ATOM 415 O ASP A 27 3.529 -11.106 8.915 1.00 54.42 O ATOM 416 CB ASP A 27 3.578 -13.922 10.459 1.00 11.23 C ATOM 417 CG ASP A 27 2.738 -15.149 10.806 1.00 74.12 C ATOM 418 OD1 ASP A 27 1.598 -15.279 10.308 1.00 13.43 O ATOM 419 OD2 ASP A 27 3.177 -15.961 11.650 1.00 33.11 O ATOM 0 H ASP A 27 4.663 -15.198 8.653 1.00 45.11 H new ATOM 0 HA ASP A 27 2.468 -13.423 8.676 1.00 65.41 H new ATOM 0 HB2 ASP A 27 4.617 -14.125 10.719 1.00 11.23 H new ATOM 0 HB3 ASP A 27 3.251 -13.087 11.079 1.00 11.23 H new ATOM 424 N GLU A 28 5.510 -12.104 8.597 1.00 31.44 N ATOM 425 CA GLU A 28 6.310 -10.915 8.404 1.00 72.42 C ATOM 426 C GLU A 28 5.666 -9.968 7.391 1.00 44.41 C ATOM 427 O GLU A 28 5.543 -8.768 7.645 1.00 31.42 O ATOM 428 CB GLU A 28 7.712 -11.349 7.927 1.00 23.32 C ATOM 429 CG GLU A 28 8.817 -10.663 8.720 1.00 11.45 C ATOM 430 CD GLU A 28 10.014 -10.223 7.866 1.00 24.40 C ATOM 431 OE1 GLU A 28 10.378 -10.931 6.904 1.00 55.32 O ATOM 432 OE2 GLU A 28 10.588 -9.144 8.159 1.00 42.25 O ATOM 0 H GLU A 28 6.065 -12.958 8.537 1.00 31.44 H new ATOM 0 HA GLU A 28 6.384 -10.371 9.346 1.00 72.42 H new ATOM 0 HB2 GLU A 28 7.811 -12.430 8.026 1.00 23.32 H new ATOM 0 HB3 GLU A 28 7.825 -11.114 6.869 1.00 23.32 H new ATOM 0 HG2 GLU A 28 8.401 -9.790 9.223 1.00 11.45 H new ATOM 0 HG3 GLU A 28 9.168 -11.342 9.497 1.00 11.45 H new ATOM 439 N ALA A 29 5.257 -10.505 6.242 1.00 42.14 N ATOM 440 CA ALA A 29 4.691 -9.722 5.152 1.00 13.21 C ATOM 441 C ALA A 29 3.310 -9.153 5.494 1.00 61.31 C ATOM 442 O ALA A 29 2.966 -8.042 5.089 1.00 40.00 O ATOM 443 CB ALA A 29 4.602 -10.603 3.901 1.00 3.23 C ATOM 0 H ALA A 29 5.311 -11.504 6.043 1.00 42.14 H new ATOM 0 HA ALA A 29 5.347 -8.870 4.973 1.00 13.21 H new ATOM 0 HB1 ALA A 29 4.179 -10.026 3.079 1.00 3.23 H new ATOM 0 HB2 ALA A 29 5.599 -10.948 3.627 1.00 3.23 H new ATOM 0 HB3 ALA A 29 3.964 -11.463 4.106 1.00 3.23 H new ATOM 449 N ASN A 30 2.519 -9.908 6.251 1.00 31.45 N ATOM 450 CA ASN A 30 1.148 -9.542 6.598 1.00 71.50 C ATOM 451 C ASN A 30 1.167 -8.487 7.687 1.00 70.10 C ATOM 452 O ASN A 30 0.352 -7.563 7.664 1.00 35.22 O ATOM 453 CB ASN A 30 0.335 -10.749 7.088 1.00 43.11 C ATOM 454 CG ASN A 30 -0.202 -11.599 5.949 1.00 20.15 C ATOM 455 OD1 ASN A 30 -0.630 -11.082 4.918 1.00 2.41 O ATOM 456 ND2 ASN A 30 -0.212 -12.907 6.111 1.00 60.10 N ATOM 0 H ASN A 30 2.815 -10.801 6.645 1.00 31.45 H new ATOM 0 HA ASN A 30 0.672 -9.157 5.696 1.00 71.50 H new ATOM 0 HB2 ASN A 30 0.962 -11.366 7.732 1.00 43.11 H new ATOM 0 HB3 ASN A 30 -0.498 -10.397 7.697 1.00 43.11 H new ATOM 0 HD21 ASN A 30 -0.579 -13.509 5.374 1.00 60.10 H new ATOM 0 HD22 ASN A 30 0.147 -13.317 6.973 1.00 60.10 H new ATOM 463 N ALA A 31 2.120 -8.603 8.615 1.00 33.24 N ATOM 464 CA ALA A 31 2.401 -7.583 9.600 1.00 21.51 C ATOM 465 C ALA A 31 2.764 -6.272 8.910 1.00 42.13 C ATOM 466 O ALA A 31 2.167 -5.240 9.229 1.00 51.10 O ATOM 467 CB ALA A 31 3.499 -8.053 10.549 1.00 42.14 C ATOM 0 H ALA A 31 2.721 -9.424 8.695 1.00 33.24 H new ATOM 0 HA ALA A 31 1.508 -7.403 10.199 1.00 21.51 H new ATOM 0 HB1 ALA A 31 3.701 -7.275 11.286 1.00 42.14 H new ATOM 0 HB2 ALA A 31 3.175 -8.961 11.059 1.00 42.14 H new ATOM 0 HB3 ALA A 31 4.407 -8.259 9.982 1.00 42.14 H new ATOM 473 N TYR A 32 3.678 -6.316 7.932 1.00 4.35 N ATOM 474 CA TYR A 32 4.077 -5.111 7.209 1.00 74.13 C ATOM 475 C TYR A 32 2.871 -4.459 6.528 1.00 74.30 C ATOM 476 O TYR A 32 2.718 -3.234 6.540 1.00 22.55 O ATOM 477 CB TYR A 32 5.156 -5.432 6.172 1.00 42.04 C ATOM 478 CG TYR A 32 5.520 -4.204 5.354 1.00 14.22 C ATOM 479 CD1 TYR A 32 4.771 -3.870 4.209 1.00 62.51 C ATOM 480 CD2 TYR A 32 6.539 -3.337 5.791 1.00 21.24 C ATOM 481 CE1 TYR A 32 4.991 -2.649 3.547 1.00 20.11 C ATOM 482 CE2 TYR A 32 6.819 -2.155 5.084 1.00 4.43 C ATOM 483 CZ TYR A 32 6.024 -1.783 3.981 1.00 54.01 C ATOM 484 OH TYR A 32 6.268 -0.613 3.330 1.00 32.31 O ATOM 0 H TYR A 32 4.149 -7.168 7.628 1.00 4.35 H new ATOM 0 HA TYR A 32 4.488 -4.408 7.934 1.00 74.13 H new ATOM 0 HB2 TYR A 32 6.045 -5.813 6.675 1.00 42.04 H new ATOM 0 HB3 TYR A 32 4.802 -6.221 5.509 1.00 42.04 H new ATOM 0 HD1 TYR A 32 4.024 -4.555 3.837 1.00 62.51 H new ATOM 0 HD2 TYR A 32 7.109 -3.581 6.675 1.00 21.24 H new ATOM 0 HE1 TYR A 32 4.372 -2.371 2.707 1.00 20.11 H new ATOM 0 HE2 TYR A 32 7.646 -1.530 5.387 1.00 4.43 H new ATOM 0 HH TYR A 32 7.011 -0.145 3.765 1.00 32.31 H new ATOM 494 N ALA A 33 1.989 -5.266 5.931 1.00 21.55 N ATOM 495 CA ALA A 33 0.803 -4.763 5.258 1.00 75.24 C ATOM 496 C ALA A 33 -0.195 -4.087 6.216 1.00 13.24 C ATOM 497 O ALA A 33 -1.164 -3.498 5.740 1.00 52.23 O ATOM 498 CB ALA A 33 0.141 -5.899 4.466 1.00 44.31 C ATOM 0 H ALA A 33 2.082 -6.281 5.904 1.00 21.55 H new ATOM 0 HA ALA A 33 1.122 -3.980 4.570 1.00 75.24 H new ATOM 0 HB1 ALA A 33 -0.748 -5.521 3.962 1.00 44.31 H new ATOM 0 HB2 ALA A 33 0.842 -6.283 3.725 1.00 44.31 H new ATOM 0 HB3 ALA A 33 -0.142 -6.701 5.148 1.00 44.31 H new ATOM 504 N ALA A 34 0.024 -4.111 7.538 1.00 2.41 N ATOM 505 CA ALA A 34 -0.676 -3.252 8.485 1.00 11.32 C ATOM 506 C ALA A 34 0.111 -1.970 8.777 1.00 65.42 C ATOM 507 O ALA A 34 -0.499 -0.913 8.916 1.00 42.30 O ATOM 508 CB ALA A 34 -0.948 -4.016 9.780 1.00 13.43 C ATOM 0 H ALA A 34 0.700 -4.736 7.978 1.00 2.41 H new ATOM 0 HA ALA A 34 -1.624 -2.958 8.034 1.00 11.32 H new ATOM 0 HB1 ALA A 34 -1.471 -3.367 10.482 1.00 13.43 H new ATOM 0 HB2 ALA A 34 -1.564 -4.889 9.565 1.00 13.43 H new ATOM 0 HB3 ALA A 34 -0.003 -4.338 10.218 1.00 13.43 H new ATOM 514 N GLU A 35 1.442 -2.033 8.877 1.00 33.23 N ATOM 515 CA GLU A 35 2.294 -0.864 9.114 1.00 1.42 C ATOM 516 C GLU A 35 2.097 0.183 8.019 1.00 75.20 C ATOM 517 O GLU A 35 1.917 1.362 8.298 1.00 41.41 O ATOM 518 CB GLU A 35 3.768 -1.261 9.152 1.00 44.40 C ATOM 519 CG GLU A 35 4.117 -2.204 10.301 1.00 3.41 C ATOM 520 CD GLU A 35 3.858 -1.626 11.698 1.00 32.54 C ATOM 521 OE1 GLU A 35 4.774 -1.021 12.290 1.00 5.15 O ATOM 522 OE2 GLU A 35 2.773 -1.864 12.289 1.00 62.30 O ATOM 0 H GLU A 35 1.963 -2.906 8.795 1.00 33.23 H new ATOM 0 HA GLU A 35 2.006 -0.444 10.078 1.00 1.42 H new ATOM 0 HB2 GLU A 35 4.032 -1.738 8.208 1.00 44.40 H new ATOM 0 HB3 GLU A 35 4.376 -0.360 9.234 1.00 44.40 H new ATOM 0 HG2 GLU A 35 3.541 -3.122 10.189 1.00 3.41 H new ATOM 0 HG3 GLU A 35 5.169 -2.477 10.224 1.00 3.41 H new ATOM 529 N VAL A 36 2.099 -0.255 6.761 1.00 74.10 N ATOM 530 CA VAL A 36 1.927 0.606 5.596 1.00 4.04 C ATOM 531 C VAL A 36 0.584 1.345 5.617 1.00 35.51 C ATOM 532 O VAL A 36 0.475 2.452 5.098 1.00 31.43 O ATOM 533 CB VAL A 36 2.137 -0.258 4.340 1.00 21.34 C ATOM 534 CG1 VAL A 36 1.026 -1.247 4.131 1.00 33.44 C ATOM 535 CG2 VAL A 36 2.356 0.577 3.077 1.00 52.20 C ATOM 0 H VAL A 36 2.223 -1.238 6.520 1.00 74.10 H new ATOM 0 HA VAL A 36 2.669 1.405 5.601 1.00 4.04 H new ATOM 0 HB VAL A 36 3.053 -0.819 4.526 1.00 21.34 H new ATOM 0 HG11 VAL A 36 1.223 -1.831 3.232 1.00 33.44 H new ATOM 0 HG12 VAL A 36 0.966 -1.914 4.991 1.00 33.44 H new ATOM 0 HG13 VAL A 36 0.082 -0.715 4.018 1.00 33.44 H new ATOM 0 HG21 VAL A 36 2.498 -0.085 2.223 1.00 52.20 H new ATOM 0 HG22 VAL A 36 1.486 1.210 2.904 1.00 52.20 H new ATOM 0 HG23 VAL A 36 3.240 1.202 3.203 1.00 52.20 H new ATOM 545 N VAL A 37 -0.444 0.748 6.222 1.00 51.20 N ATOM 546 CA VAL A 37 -1.752 1.367 6.366 1.00 52.04 C ATOM 547 C VAL A 37 -1.640 2.447 7.439 1.00 74.41 C ATOM 548 O VAL A 37 -2.186 3.538 7.286 1.00 60.20 O ATOM 549 CB VAL A 37 -2.794 0.286 6.716 1.00 34.15 C ATOM 550 CG1 VAL A 37 -4.201 0.882 6.866 1.00 15.43 C ATOM 551 CG2 VAL A 37 -2.818 -0.849 5.670 1.00 53.24 C ATOM 0 H VAL A 37 -0.386 -0.186 6.627 1.00 51.20 H new ATOM 0 HA VAL A 37 -2.083 1.835 5.439 1.00 52.04 H new ATOM 0 HB VAL A 37 -2.490 -0.135 7.674 1.00 34.15 H new ATOM 0 HG11 VAL A 37 -4.907 0.089 7.113 1.00 15.43 H new ATOM 0 HG12 VAL A 37 -4.198 1.626 7.662 1.00 15.43 H new ATOM 0 HG13 VAL A 37 -4.498 1.354 5.929 1.00 15.43 H new ATOM 0 HG21 VAL A 37 -3.565 -1.590 5.954 1.00 53.24 H new ATOM 0 HG22 VAL A 37 -3.068 -0.437 4.692 1.00 53.24 H new ATOM 0 HG23 VAL A 37 -1.837 -1.322 5.624 1.00 53.24 H new ATOM 561 N LYS A 38 -0.923 2.155 8.523 1.00 51.02 N ATOM 562 CA LYS A 38 -0.674 3.054 9.619 1.00 54.23 C ATOM 563 C LYS A 38 0.172 4.281 9.263 1.00 53.42 C ATOM 564 O LYS A 38 0.371 5.110 10.144 1.00 71.21 O ATOM 565 CB LYS A 38 -0.046 2.231 10.755 1.00 62.43 C ATOM 566 CG LYS A 38 -0.627 2.728 12.068 1.00 22.32 C ATOM 567 CD LYS A 38 -0.255 1.840 13.261 1.00 72.54 C ATOM 568 CE LYS A 38 -1.275 0.734 13.543 1.00 43.04 C ATOM 569 NZ LYS A 38 -2.600 1.302 13.867 1.00 34.14 N ATOM 0 H LYS A 38 -0.486 1.243 8.655 1.00 51.02 H new ATOM 0 HA LYS A 38 -1.625 3.488 9.927 1.00 54.23 H new ATOM 0 HB2 LYS A 38 -0.259 1.170 10.621 1.00 62.43 H new ATOM 0 HB3 LYS A 38 1.038 2.341 10.752 1.00 62.43 H new ATOM 0 HG2 LYS A 38 -0.275 3.743 12.254 1.00 22.32 H new ATOM 0 HG3 LYS A 38 -1.713 2.777 11.983 1.00 22.32 H new ATOM 0 HD2 LYS A 38 0.719 1.386 13.076 1.00 72.54 H new ATOM 0 HD3 LYS A 38 -0.152 2.463 14.149 1.00 72.54 H new ATOM 0 HE2 LYS A 38 -1.358 0.082 12.674 1.00 43.04 H new ATOM 0 HE3 LYS A 38 -0.928 0.117 14.372 1.00 43.04 H new ATOM 0 HZ1 LYS A 38 -3.136 0.624 14.445 1.00 34.14 H new ATOM 0 HZ2 LYS A 38 -2.478 2.188 14.397 1.00 34.14 H new ATOM 0 HZ3 LYS A 38 -3.120 1.494 12.987 1.00 34.14 H new ATOM 583 N ALA A 39 0.621 4.442 8.018 1.00 22.51 N ATOM 584 CA ALA A 39 1.326 5.630 7.552 1.00 72.20 C ATOM 585 C ALA A 39 0.544 6.338 6.439 1.00 41.02 C ATOM 586 O ALA A 39 1.133 7.063 5.642 1.00 75.10 O ATOM 587 CB ALA A 39 2.744 5.238 7.123 1.00 35.23 C ATOM 0 H ALA A 39 0.501 3.735 7.293 1.00 22.51 H new ATOM 0 HA ALA A 39 1.407 6.352 8.365 1.00 72.20 H new ATOM 0 HB1 ALA A 39 3.276 6.123 6.773 1.00 35.23 H new ATOM 0 HB2 ALA A 39 3.275 4.807 7.972 1.00 35.23 H new ATOM 0 HB3 ALA A 39 2.691 4.505 6.318 1.00 35.23 H new ATOM 593 N ASP A 40 -0.774 6.118 6.349 1.00 64.31 N ATOM 594 CA ASP A 40 -1.659 6.879 5.466 1.00 61.31 C ATOM 595 C ASP A 40 -2.597 7.720 6.321 1.00 21.12 C ATOM 596 O ASP A 40 -3.779 7.391 6.481 1.00 31.24 O ATOM 597 CB ASP A 40 -2.418 5.966 4.498 1.00 24.51 C ATOM 598 CG ASP A 40 -3.131 6.750 3.388 1.00 64.51 C ATOM 599 OD1 ASP A 40 -3.093 7.997 3.333 1.00 60.12 O ATOM 600 OD2 ASP A 40 -3.712 6.081 2.502 1.00 13.24 O ATOM 0 H ASP A 40 -1.257 5.402 6.892 1.00 64.31 H new ATOM 0 HA ASP A 40 -1.063 7.542 4.839 1.00 61.31 H new ATOM 0 HB2 ASP A 40 -1.721 5.259 4.049 1.00 24.51 H new ATOM 0 HB3 ASP A 40 -3.151 5.382 5.054 1.00 24.51 H new ATOM 605 N PHE A 41 -2.032 8.758 6.934 1.00 1.24 N ATOM 606 CA PHE A 41 -2.707 9.779 7.719 1.00 24.42 C ATOM 607 C PHE A 41 -1.914 11.082 7.561 1.00 42.33 C ATOM 608 O PHE A 41 -0.889 11.108 6.877 1.00 55.40 O ATOM 609 CB PHE A 41 -2.751 9.402 9.213 1.00 42.24 C ATOM 610 CG PHE A 41 -3.202 8.001 9.574 1.00 23.53 C ATOM 611 CD1 PHE A 41 -4.528 7.575 9.357 1.00 63.33 C ATOM 612 CD2 PHE A 41 -2.286 7.131 10.191 1.00 53.22 C ATOM 613 CE1 PHE A 41 -4.931 6.294 9.777 1.00 34.41 C ATOM 614 CE2 PHE A 41 -2.693 5.861 10.618 1.00 73.54 C ATOM 615 CZ PHE A 41 -4.015 5.436 10.410 1.00 43.04 C ATOM 0 H PHE A 41 -1.025 8.915 6.890 1.00 1.24 H new ATOM 0 HA PHE A 41 -3.733 9.884 7.367 1.00 24.42 H new ATOM 0 HB2 PHE A 41 -1.753 9.549 9.625 1.00 42.24 H new ATOM 0 HB3 PHE A 41 -3.412 10.107 9.717 1.00 42.24 H new ATOM 0 HD1 PHE A 41 -5.234 8.231 8.869 1.00 63.33 H new ATOM 0 HD2 PHE A 41 -1.263 7.444 10.336 1.00 53.22 H new ATOM 0 HE1 PHE A 41 -5.948 5.969 9.612 1.00 34.41 H new ATOM 0 HE2 PHE A 41 -1.988 5.206 11.109 1.00 73.54 H new ATOM 0 HZ PHE A 41 -4.327 4.454 10.735 1.00 43.04 H new ATOM 625 N GLU A 42 -2.359 12.128 8.263 1.00 44.22 N ATOM 626 CA GLU A 42 -1.739 13.443 8.391 1.00 52.10 C ATOM 627 C GLU A 42 -1.796 14.190 7.057 1.00 24.43 C ATOM 628 O GLU A 42 -2.620 15.097 6.922 1.00 13.43 O ATOM 629 CB GLU A 42 -0.357 13.367 9.068 1.00 71.52 C ATOM 630 CG GLU A 42 -0.459 12.687 10.446 1.00 65.44 C ATOM 631 CD GLU A 42 0.715 13.053 11.350 1.00 5.34 C ATOM 632 OE1 GLU A 42 1.806 12.458 11.217 1.00 22.22 O ATOM 633 OE2 GLU A 42 0.549 13.955 12.213 1.00 25.33 O ATOM 0 H GLU A 42 -3.227 12.070 8.795 1.00 44.22 H new ATOM 0 HA GLU A 42 -2.317 14.057 9.082 1.00 52.10 H new ATOM 0 HB2 GLU A 42 0.334 12.811 8.434 1.00 71.52 H new ATOM 0 HB3 GLU A 42 0.053 14.371 9.182 1.00 71.52 H new ATOM 0 HG2 GLU A 42 -1.392 12.980 10.927 1.00 65.44 H new ATOM 0 HG3 GLU A 42 -0.493 11.605 10.315 1.00 65.44 H new ATOM 640 N GLU A 43 -1.062 13.757 6.035 1.00 62.24 N ATOM 641 CA GLU A 43 -1.331 14.158 4.663 1.00 75.11 C ATOM 642 C GLU A 43 -2.606 13.457 4.146 1.00 22.12 C ATOM 643 O GLU A 43 -3.104 12.499 4.747 1.00 11.32 O ATOM 644 CB GLU A 43 -0.089 13.916 3.790 1.00 31.32 C ATOM 645 CG GLU A 43 0.746 15.204 3.675 1.00 54.24 C ATOM 646 CD GLU A 43 1.408 15.648 4.978 1.00 35.33 C ATOM 647 OE1 GLU A 43 0.767 16.382 5.761 1.00 12.11 O ATOM 648 OE2 GLU A 43 2.590 15.288 5.195 1.00 43.13 O ATOM 0 H GLU A 43 -0.270 13.123 6.137 1.00 62.24 H new ATOM 0 HA GLU A 43 -1.533 15.228 4.614 1.00 75.11 H new ATOM 0 HB2 GLU A 43 0.517 13.120 4.222 1.00 31.32 H new ATOM 0 HB3 GLU A 43 -0.393 13.583 2.798 1.00 31.32 H new ATOM 0 HG2 GLU A 43 1.520 15.054 2.922 1.00 54.24 H new ATOM 0 HG3 GLU A 43 0.103 16.008 3.316 1.00 54.24 H new ATOM 655 N ALA A 44 -3.148 13.937 3.024 1.00 11.34 N ATOM 656 CA ALA A 44 -4.435 13.528 2.446 1.00 42.03 C ATOM 657 C ALA A 44 -4.254 13.161 0.966 1.00 62.33 C ATOM 658 O ALA A 44 -5.158 13.314 0.131 1.00 61.31 O ATOM 659 CB ALA A 44 -5.466 14.648 2.650 1.00 62.30 C ATOM 0 H ALA A 44 -2.682 14.654 2.467 1.00 11.34 H new ATOM 0 HA ALA A 44 -4.809 12.638 2.953 1.00 42.03 H new ATOM 0 HB1 ALA A 44 -6.421 14.345 2.221 1.00 62.30 H new ATOM 0 HB2 ALA A 44 -5.590 14.838 3.716 1.00 62.30 H new ATOM 0 HB3 ALA A 44 -5.119 15.556 2.158 1.00 62.30 H new ATOM 665 N GLY A 45 -3.046 12.733 0.620 1.00 24.54 N ATOM 666 CA GLY A 45 -2.644 12.395 -0.721 1.00 75.44 C ATOM 667 C GLY A 45 -1.295 11.721 -0.691 1.00 20.53 C ATOM 668 O GLY A 45 -0.366 12.217 -1.315 1.00 1.13 O ATOM 0 H GLY A 45 -2.296 12.610 1.301 1.00 24.54 H new ATOM 0 HA2 GLY A 45 -3.382 11.734 -1.177 1.00 75.44 H new ATOM 0 HA3 GLY A 45 -2.599 13.294 -1.335 1.00 75.44 H new ATOM 672 N HIS A 46 -1.211 10.601 0.033 1.00 73.10 N ATOM 673 CA HIS A 46 -0.192 9.558 -0.054 1.00 42.43 C ATOM 674 C HIS A 46 1.263 9.997 0.160 1.00 22.35 C ATOM 675 O HIS A 46 2.152 9.158 0.038 1.00 14.03 O ATOM 676 CB HIS A 46 -0.370 8.768 -1.361 1.00 73.41 C ATOM 677 CG HIS A 46 -0.041 9.547 -2.616 1.00 12.13 C ATOM 678 ND1 HIS A 46 1.164 10.144 -2.918 1.00 61.11 N ATOM 679 CD2 HIS A 46 -0.937 9.931 -3.576 1.00 41.01 C ATOM 680 CE1 HIS A 46 0.987 10.879 -4.025 1.00 53.30 C ATOM 681 NE2 HIS A 46 -0.272 10.767 -4.480 1.00 14.42 N ATOM 0 H HIS A 46 -1.907 10.387 0.747 1.00 73.10 H new ATOM 0 HA HIS A 46 -0.370 8.915 0.808 1.00 42.43 H new ATOM 0 HB2 HIS A 46 0.262 7.881 -1.323 1.00 73.41 H new ATOM 0 HB3 HIS A 46 -1.402 8.422 -1.424 1.00 73.41 H new ATOM 0 HD2 HIS A 46 -1.976 9.640 -3.627 1.00 41.01 H new ATOM 0 HE1 HIS A 46 1.754 11.481 -4.489 1.00 53.30 H new ATOM 0 HE2 HIS A 46 -0.664 11.203 -5.315 1.00 14.42 H new ATOM 689 N GLU A 47 1.539 11.260 0.483 1.00 2.04 N ATOM 690 CA GLU A 47 2.874 11.783 0.762 1.00 15.03 C ATOM 691 C GLU A 47 3.616 10.859 1.725 1.00 32.35 C ATOM 692 O GLU A 47 4.719 10.392 1.429 1.00 75.53 O ATOM 693 CB GLU A 47 2.743 13.180 1.387 1.00 35.24 C ATOM 694 CG GLU A 47 3.069 14.343 0.454 1.00 1.42 C ATOM 695 CD GLU A 47 2.037 14.556 -0.650 1.00 21.12 C ATOM 696 OE1 GLU A 47 0.872 14.915 -0.347 1.00 64.32 O ATOM 697 OE2 GLU A 47 2.444 14.452 -1.832 1.00 24.55 O ATOM 0 H GLU A 47 0.812 11.972 0.560 1.00 2.04 H new ATOM 0 HA GLU A 47 3.438 11.842 -0.169 1.00 15.03 H new ATOM 0 HB2 GLU A 47 1.723 13.303 1.752 1.00 35.24 H new ATOM 0 HB3 GLU A 47 3.401 13.236 2.254 1.00 35.24 H new ATOM 0 HG2 GLU A 47 3.151 15.257 1.043 1.00 1.42 H new ATOM 0 HG3 GLU A 47 4.044 14.169 -0.002 1.00 1.42 H new ATOM 704 N ASP A 48 3.007 10.611 2.886 1.00 42.33 N ATOM 705 CA ASP A 48 3.663 9.906 3.976 1.00 61.50 C ATOM 706 C ASP A 48 3.752 8.415 3.682 1.00 4.35 C ATOM 707 O ASP A 48 4.780 7.801 3.945 1.00 2.13 O ATOM 708 CB ASP A 48 2.936 10.182 5.296 1.00 63.24 C ATOM 709 CG ASP A 48 3.838 9.957 6.514 1.00 13.01 C ATOM 710 OD1 ASP A 48 5.079 10.138 6.405 1.00 54.42 O ATOM 711 OD2 ASP A 48 3.299 9.772 7.621 1.00 21.41 O ATOM 0 H ASP A 48 2.049 10.894 3.092 1.00 42.33 H new ATOM 0 HA ASP A 48 4.684 10.276 4.071 1.00 61.50 H new ATOM 0 HB2 ASP A 48 2.573 11.210 5.300 1.00 63.24 H new ATOM 0 HB3 ASP A 48 2.062 9.535 5.369 1.00 63.24 H new ATOM 716 N VAL A 49 2.748 7.865 2.994 1.00 23.34 N ATOM 717 CA VAL A 49 2.756 6.504 2.470 1.00 20.12 C ATOM 718 C VAL A 49 3.978 6.314 1.576 1.00 63.34 C ATOM 719 O VAL A 49 4.746 5.363 1.752 1.00 34.42 O ATOM 720 CB VAL A 49 1.459 6.220 1.681 1.00 41.02 C ATOM 721 CG1 VAL A 49 1.374 4.742 1.283 1.00 53.31 C ATOM 722 CG2 VAL A 49 0.203 6.567 2.478 1.00 72.31 C ATOM 0 H VAL A 49 1.887 8.370 2.783 1.00 23.34 H new ATOM 0 HA VAL A 49 2.806 5.800 3.301 1.00 20.12 H new ATOM 0 HB VAL A 49 1.502 6.854 0.795 1.00 41.02 H new ATOM 0 HG11 VAL A 49 0.452 4.567 0.729 1.00 53.31 H new ATOM 0 HG12 VAL A 49 2.228 4.484 0.657 1.00 53.31 H new ATOM 0 HG13 VAL A 49 1.381 4.123 2.180 1.00 53.31 H new ATOM 0 HG21 VAL A 49 -0.680 6.349 1.878 1.00 72.31 H new ATOM 0 HG22 VAL A 49 0.177 5.974 3.392 1.00 72.31 H new ATOM 0 HG23 VAL A 49 0.215 7.627 2.733 1.00 72.31 H new ATOM 732 N MET A 50 4.150 7.216 0.608 1.00 43.02 N ATOM 733 CA MET A 50 5.249 7.190 -0.333 1.00 61.43 C ATOM 734 C MET A 50 6.557 7.291 0.442 1.00 21.42 C ATOM 735 O MET A 50 7.455 6.493 0.201 1.00 44.24 O ATOM 736 CB MET A 50 5.107 8.299 -1.386 1.00 74.51 C ATOM 737 CG MET A 50 4.051 8.075 -2.487 1.00 42.01 C ATOM 738 SD MET A 50 2.812 6.750 -2.314 1.00 21.34 S ATOM 739 CE MET A 50 3.685 5.375 -3.105 1.00 14.25 C ATOM 0 H MET A 50 3.511 7.997 0.461 1.00 43.02 H new ATOM 0 HA MET A 50 5.241 6.250 -0.885 1.00 61.43 H new ATOM 0 HB2 MET A 50 4.870 9.230 -0.871 1.00 74.51 H new ATOM 0 HB3 MET A 50 6.075 8.439 -1.866 1.00 74.51 H new ATOM 0 HG2 MET A 50 3.507 9.012 -2.608 1.00 42.01 H new ATOM 0 HG3 MET A 50 4.588 7.895 -3.418 1.00 42.01 H new ATOM 0 HE1 MET A 50 3.464 4.450 -2.573 1.00 14.25 H new ATOM 0 HE2 MET A 50 3.358 5.284 -4.141 1.00 14.25 H new ATOM 0 HE3 MET A 50 4.759 5.562 -3.078 1.00 14.25 H new ATOM 749 N ARG A 51 6.677 8.201 1.409 1.00 40.40 N ATOM 750 CA ARG A 51 7.895 8.353 2.199 1.00 73.13 C ATOM 751 C ARG A 51 8.218 7.078 2.970 1.00 74.43 C ATOM 752 O ARG A 51 9.372 6.629 2.935 1.00 21.45 O ATOM 753 CB ARG A 51 7.711 9.554 3.153 1.00 42.31 C ATOM 754 CG ARG A 51 8.964 10.423 3.209 1.00 71.53 C ATOM 755 CD ARG A 51 10.070 9.785 4.053 1.00 1.44 C ATOM 756 NE ARG A 51 11.403 10.154 3.565 1.00 35.43 N ATOM 757 CZ ARG A 51 12.170 9.449 2.728 1.00 4.31 C ATOM 758 NH1 ARG A 51 11.775 8.276 2.233 1.00 12.11 N ATOM 759 NH2 ARG A 51 13.356 9.942 2.401 1.00 24.44 N ATOM 0 H ARG A 51 5.934 8.851 1.665 1.00 40.40 H new ATOM 0 HA ARG A 51 8.740 8.539 1.536 1.00 73.13 H new ATOM 0 HB2 ARG A 51 6.864 10.156 2.822 1.00 42.31 H new ATOM 0 HB3 ARG A 51 7.473 9.192 4.153 1.00 42.31 H new ATOM 0 HG2 ARG A 51 9.333 10.592 2.197 1.00 71.53 H new ATOM 0 HG3 ARG A 51 8.710 11.399 3.623 1.00 71.53 H new ATOM 0 HD2 ARG A 51 9.963 10.098 5.091 1.00 1.44 H new ATOM 0 HD3 ARG A 51 9.963 8.700 4.035 1.00 1.44 H new ATOM 0 HE ARG A 51 11.784 11.040 3.899 1.00 35.43 H new ATOM 0 HH11 ARG A 51 10.865 7.894 2.491 1.00 12.11 H new ATOM 0 HH12 ARG A 51 12.382 7.761 1.596 1.00 12.11 H new ATOM 0 HH21 ARG A 51 13.660 10.836 2.786 1.00 24.44 H new ATOM 0 HH22 ARG A 51 13.964 9.427 1.764 1.00 24.44 H new ATOM 773 N LYS A 52 7.228 6.509 3.661 1.00 74.51 N ATOM 774 CA LYS A 52 7.321 5.278 4.434 1.00 41.12 C ATOM 775 C LYS A 52 7.864 4.186 3.530 1.00 23.44 C ATOM 776 O LYS A 52 8.932 3.643 3.817 1.00 33.35 O ATOM 777 CB LYS A 52 5.945 4.957 5.059 1.00 44.20 C ATOM 778 CG LYS A 52 5.900 3.710 5.963 1.00 64.24 C ATOM 779 CD LYS A 52 5.526 2.398 5.240 1.00 55.14 C ATOM 780 CE LYS A 52 5.189 1.252 6.215 1.00 15.31 C ATOM 781 NZ LYS A 52 6.256 1.074 7.212 1.00 3.13 N ATOM 0 H LYS A 52 6.294 6.918 3.695 1.00 74.51 H new ATOM 0 HA LYS A 52 8.013 5.373 5.271 1.00 41.12 H new ATOM 0 HB2 LYS A 52 5.621 5.819 5.642 1.00 44.20 H new ATOM 0 HB3 LYS A 52 5.222 4.827 4.254 1.00 44.20 H new ATOM 0 HG2 LYS A 52 6.875 3.584 6.433 1.00 64.24 H new ATOM 0 HG3 LYS A 52 5.181 3.885 6.763 1.00 64.24 H new ATOM 0 HD2 LYS A 52 4.670 2.579 4.589 1.00 55.14 H new ATOM 0 HD3 LYS A 52 6.354 2.093 4.600 1.00 55.14 H new ATOM 0 HE2 LYS A 52 4.247 1.465 6.720 1.00 15.31 H new ATOM 0 HE3 LYS A 52 5.049 0.326 5.658 1.00 15.31 H new ATOM 0 HZ1 LYS A 52 6.198 0.117 7.615 1.00 3.13 H new ATOM 0 HZ2 LYS A 52 7.182 1.202 6.756 1.00 3.13 H new ATOM 0 HZ3 LYS A 52 6.143 1.777 7.970 1.00 3.13 H new ATOM 795 N VAL A 53 7.169 3.877 2.438 1.00 71.12 N ATOM 796 CA VAL A 53 7.462 2.728 1.599 1.00 53.14 C ATOM 797 C VAL A 53 8.802 2.923 0.891 1.00 43.22 C ATOM 798 O VAL A 53 9.553 1.955 0.728 1.00 31.45 O ATOM 799 CB VAL A 53 6.252 2.504 0.656 1.00 1.35 C ATOM 800 CG1 VAL A 53 6.141 3.490 -0.510 1.00 3.02 C ATOM 801 CG2 VAL A 53 6.206 1.087 0.108 1.00 34.24 C ATOM 0 H VAL A 53 6.376 4.428 2.110 1.00 71.12 H new ATOM 0 HA VAL A 53 7.586 1.815 2.182 1.00 53.14 H new ATOM 0 HB VAL A 53 5.396 2.686 1.305 1.00 1.35 H new ATOM 0 HG11 VAL A 53 5.263 3.248 -1.109 1.00 3.02 H new ATOM 0 HG12 VAL A 53 6.047 4.504 -0.121 1.00 3.02 H new ATOM 0 HG13 VAL A 53 7.034 3.421 -1.131 1.00 3.02 H new ATOM 0 HG21 VAL A 53 5.342 0.978 -0.547 1.00 34.24 H new ATOM 0 HG22 VAL A 53 7.117 0.885 -0.456 1.00 34.24 H new ATOM 0 HG23 VAL A 53 6.127 0.380 0.934 1.00 34.24 H new ATOM 811 N LEU A 54 9.127 4.156 0.491 1.00 11.43 N ATOM 812 CA LEU A 54 10.341 4.472 -0.242 1.00 62.53 C ATOM 813 C LEU A 54 11.565 4.239 0.623 1.00 23.42 C ATOM 814 O LEU A 54 12.489 3.538 0.202 1.00 51.24 O ATOM 815 CB LEU A 54 10.309 5.930 -0.732 1.00 53.23 C ATOM 816 CG LEU A 54 9.585 6.136 -2.077 1.00 3.12 C ATOM 817 CD1 LEU A 54 9.537 7.640 -2.358 1.00 0.22 C ATOM 818 CD2 LEU A 54 10.273 5.421 -3.250 1.00 73.50 C ATOM 0 H LEU A 54 8.540 4.970 0.674 1.00 11.43 H new ATOM 0 HA LEU A 54 10.398 3.812 -1.108 1.00 62.53 H new ATOM 0 HB2 LEU A 54 9.823 6.544 0.026 1.00 53.23 H new ATOM 0 HB3 LEU A 54 11.333 6.291 -0.826 1.00 53.23 H new ATOM 0 HG LEU A 54 8.588 5.704 -1.993 1.00 3.12 H new ATOM 0 HD11 LEU A 54 9.029 7.817 -3.306 1.00 0.22 H new ATOM 0 HD12 LEU A 54 8.995 8.143 -1.557 1.00 0.22 H new ATOM 0 HD13 LEU A 54 10.552 8.033 -2.412 1.00 0.22 H new ATOM 0 HD21 LEU A 54 9.714 5.606 -4.167 1.00 73.50 H new ATOM 0 HD22 LEU A 54 11.289 5.800 -3.362 1.00 73.50 H new ATOM 0 HD23 LEU A 54 10.305 4.349 -3.054 1.00 73.50 H new ATOM 830 N GLY A 55 11.566 4.814 1.826 1.00 0.45 N ATOM 831 CA GLY A 55 12.682 4.674 2.742 1.00 60.42 C ATOM 832 C GLY A 55 12.805 3.229 3.211 1.00 14.05 C ATOM 833 O GLY A 55 13.925 2.731 3.341 1.00 41.03 O ATOM 0 H GLY A 55 10.799 5.383 2.184 1.00 0.45 H new ATOM 0 HA2 GLY A 55 13.605 4.984 2.251 1.00 60.42 H new ATOM 0 HA3 GLY A 55 12.541 5.331 3.600 1.00 60.42 H new ATOM 837 N ASP A 56 11.681 2.529 3.417 1.00 71.12 N ATOM 838 CA ASP A 56 11.700 1.151 3.905 1.00 51.01 C ATOM 839 C ASP A 56 12.199 0.192 2.817 1.00 71.41 C ATOM 840 O ASP A 56 12.672 -0.890 3.146 1.00 63.33 O ATOM 841 CB ASP A 56 10.296 0.718 4.373 1.00 4.24 C ATOM 842 CG ASP A 56 9.946 1.002 5.833 1.00 64.43 C ATOM 843 OD1 ASP A 56 10.807 1.441 6.628 1.00 2.02 O ATOM 844 OD2 ASP A 56 8.776 0.738 6.187 1.00 35.32 O ATOM 0 H ASP A 56 10.745 2.900 3.251 1.00 71.12 H new ATOM 0 HA ASP A 56 12.385 1.109 4.752 1.00 51.01 H new ATOM 0 HB2 ASP A 56 9.558 1.214 3.743 1.00 4.24 H new ATOM 0 HB3 ASP A 56 10.194 -0.353 4.200 1.00 4.24 H new ATOM 849 N LEU A 57 12.100 0.538 1.522 1.00 53.20 N ATOM 850 CA LEU A 57 12.611 -0.294 0.434 1.00 44.00 C ATOM 851 C LEU A 57 14.128 -0.257 0.309 1.00 0.23 C ATOM 852 O LEU A 57 14.678 -1.146 -0.326 1.00 21.12 O ATOM 853 CB LEU A 57 12.028 0.165 -0.913 1.00 52.34 C ATOM 854 CG LEU A 57 10.821 -0.629 -1.438 1.00 41.03 C ATOM 855 CD1 LEU A 57 10.726 -0.292 -2.928 1.00 35.42 C ATOM 856 CD2 LEU A 57 10.888 -2.151 -1.283 1.00 62.51 C ATOM 0 H LEU A 57 11.662 1.404 1.207 1.00 53.20 H new ATOM 0 HA LEU A 57 12.306 -1.312 0.678 1.00 44.00 H new ATOM 0 HB2 LEU A 57 11.736 1.211 -0.821 1.00 52.34 H new ATOM 0 HB3 LEU A 57 12.819 0.120 -1.661 1.00 52.34 H new ATOM 0 HG LEU A 57 9.957 -0.339 -0.840 1.00 41.03 H new ATOM 0 HD11 LEU A 57 9.884 -0.826 -3.369 1.00 35.42 H new ATOM 0 HD12 LEU A 57 10.579 0.781 -3.050 1.00 35.42 H new ATOM 0 HD13 LEU A 57 11.647 -0.591 -3.428 1.00 35.42 H new ATOM 0 HD21 LEU A 57 9.981 -2.598 -1.689 1.00 62.51 H new ATOM 0 HD22 LEU A 57 11.755 -2.534 -1.822 1.00 62.51 H new ATOM 0 HD23 LEU A 57 10.976 -2.406 -0.227 1.00 62.51 H new ATOM 868 N ASP A 58 14.798 0.780 0.807 1.00 51.41 N ATOM 869 CA ASP A 58 16.247 1.006 0.686 1.00 55.45 C ATOM 870 C ASP A 58 16.702 1.294 -0.751 1.00 21.51 C ATOM 871 O ASP A 58 17.894 1.463 -0.997 1.00 71.53 O ATOM 872 CB ASP A 58 17.022 -0.188 1.264 1.00 64.15 C ATOM 873 CG ASP A 58 18.488 0.125 1.563 1.00 54.05 C ATOM 874 OD1 ASP A 58 18.753 1.085 2.320 1.00 11.32 O ATOM 875 OD2 ASP A 58 19.356 -0.707 1.214 1.00 55.34 O ATOM 0 H ASP A 58 14.331 1.521 1.330 1.00 51.41 H new ATOM 0 HA ASP A 58 16.469 1.904 1.263 1.00 55.45 H new ATOM 0 HB2 ASP A 58 16.535 -0.518 2.181 1.00 64.15 H new ATOM 0 HB3 ASP A 58 16.972 -1.019 0.560 1.00 64.15 H new ATOM 880 N GLY A 59 15.773 1.363 -1.707 1.00 64.51 N ATOM 881 CA GLY A 59 16.059 1.398 -3.137 1.00 41.21 C ATOM 882 C GLY A 59 16.018 0.005 -3.775 1.00 11.53 C ATOM 883 O GLY A 59 16.637 -0.210 -4.815 1.00 32.14 O ATOM 0 H GLY A 59 14.775 1.397 -1.499 1.00 64.51 H new ATOM 0 HA2 GLY A 59 15.335 2.044 -3.634 1.00 41.21 H new ATOM 0 HA3 GLY A 59 17.043 1.839 -3.297 1.00 41.21 H new ATOM 887 N LYS A 60 15.326 -0.978 -3.178 1.00 71.23 N ATOM 888 CA LYS A 60 15.189 -2.314 -3.783 1.00 40.43 C ATOM 889 C LYS A 60 14.437 -2.338 -5.122 1.00 22.13 C ATOM 890 O LYS A 60 14.548 -3.321 -5.863 1.00 60.11 O ATOM 891 CB LYS A 60 14.511 -3.268 -2.801 1.00 63.31 C ATOM 892 CG LYS A 60 15.508 -4.272 -2.219 1.00 20.22 C ATOM 893 CD LYS A 60 14.790 -5.229 -1.261 1.00 32.24 C ATOM 894 CE LYS A 60 15.506 -6.568 -1.042 1.00 24.21 C ATOM 895 NZ LYS A 60 15.657 -7.337 -2.295 1.00 41.22 N ATOM 0 H LYS A 60 14.854 -0.874 -2.280 1.00 71.23 H new ATOM 0 HA LYS A 60 16.206 -2.637 -4.003 1.00 40.43 H new ATOM 0 HB2 LYS A 60 14.054 -2.697 -1.993 1.00 63.31 H new ATOM 0 HB3 LYS A 60 13.707 -3.803 -3.307 1.00 63.31 H new ATOM 0 HG2 LYS A 60 15.980 -4.836 -3.023 1.00 20.22 H new ATOM 0 HG3 LYS A 60 16.302 -3.744 -1.691 1.00 20.22 H new ATOM 0 HD2 LYS A 60 14.669 -4.735 -0.297 1.00 32.24 H new ATOM 0 HD3 LYS A 60 13.790 -5.425 -1.646 1.00 32.24 H new ATOM 0 HE2 LYS A 60 16.490 -6.385 -0.611 1.00 24.21 H new ATOM 0 HE3 LYS A 60 14.947 -7.162 -0.319 1.00 24.21 H new ATOM 0 HZ1 LYS A 60 15.857 -8.332 -2.069 1.00 41.22 H new ATOM 0 HZ2 LYS A 60 14.778 -7.277 -2.847 1.00 41.22 H new ATOM 0 HZ3 LYS A 60 16.443 -6.944 -2.851 1.00 41.22 H new ATOM 909 N ARG A 61 13.640 -1.309 -5.406 1.00 73.15 N ATOM 910 CA ARG A 61 12.962 -1.055 -6.671 1.00 42.51 C ATOM 911 C ARG A 61 12.946 0.461 -6.856 1.00 62.02 C ATOM 912 O ARG A 61 12.958 1.173 -5.849 1.00 63.34 O ATOM 913 CB ARG A 61 11.507 -1.565 -6.645 1.00 33.11 C ATOM 914 CG ARG A 61 11.336 -3.069 -6.885 1.00 33.05 C ATOM 915 CD ARG A 61 11.692 -3.470 -8.320 1.00 60.00 C ATOM 916 NE ARG A 61 11.190 -4.820 -8.616 1.00 40.54 N ATOM 917 CZ ARG A 61 10.552 -5.186 -9.731 1.00 75.43 C ATOM 918 NH1 ARG A 61 10.589 -4.448 -10.832 1.00 53.53 N ATOM 919 NH2 ARG A 61 9.847 -6.305 -9.730 1.00 33.11 N ATOM 0 H ARG A 61 13.440 -0.587 -4.714 1.00 73.15 H new ATOM 0 HA ARG A 61 13.480 -1.571 -7.480 1.00 42.51 H new ATOM 0 HB2 ARG A 61 11.069 -1.316 -5.678 1.00 33.11 H new ATOM 0 HB3 ARG A 61 10.937 -1.026 -7.402 1.00 33.11 H new ATOM 0 HG2 ARG A 61 11.967 -3.620 -6.188 1.00 33.05 H new ATOM 0 HG3 ARG A 61 10.305 -3.354 -6.675 1.00 33.05 H new ATOM 0 HD2 ARG A 61 11.263 -2.754 -9.021 1.00 60.00 H new ATOM 0 HD3 ARG A 61 12.773 -3.440 -8.455 1.00 60.00 H new ATOM 0 HE ARG A 61 11.342 -5.539 -7.909 1.00 40.54 H new ATOM 0 HH11 ARG A 61 11.115 -3.574 -10.843 1.00 53.53 H new ATOM 0 HH12 ARG A 61 10.091 -4.754 -11.668 1.00 53.53 H new ATOM 0 HH21 ARG A 61 9.796 -6.875 -8.886 1.00 33.11 H new ATOM 0 HH22 ARG A 61 9.354 -6.598 -10.574 1.00 33.11 H new ATOM 933 N PRO A 62 12.845 0.949 -8.101 1.00 44.21 N ATOM 934 CA PRO A 62 12.724 2.368 -8.381 1.00 21.03 C ATOM 935 C PRO A 62 11.418 2.944 -7.865 1.00 33.22 C ATOM 936 O PRO A 62 10.383 2.271 -7.853 1.00 53.41 O ATOM 937 CB PRO A 62 12.737 2.507 -9.901 1.00 72.20 C ATOM 938 CG PRO A 62 12.342 1.124 -10.399 1.00 62.43 C ATOM 939 CD PRO A 62 12.878 0.187 -9.336 1.00 32.35 C ATOM 0 HA PRO A 62 13.537 2.904 -7.891 1.00 21.03 H new ATOM 0 HB2 PRO A 62 12.034 3.269 -10.238 1.00 72.20 H new ATOM 0 HB3 PRO A 62 13.722 2.797 -10.267 1.00 72.20 H new ATOM 0 HG2 PRO A 62 11.261 1.031 -10.505 1.00 62.43 H new ATOM 0 HG3 PRO A 62 12.778 0.911 -11.375 1.00 62.43 H new ATOM 0 HD2 PRO A 62 12.266 -0.712 -9.260 1.00 32.35 H new ATOM 0 HD3 PRO A 62 13.892 -0.136 -9.572 1.00 32.35 H new ATOM 947 N GLU A 63 11.439 4.253 -7.618 1.00 64.34 N ATOM 948 CA GLU A 63 10.246 5.022 -7.317 1.00 71.03 C ATOM 949 C GLU A 63 9.193 4.870 -8.414 1.00 62.22 C ATOM 950 O GLU A 63 8.023 4.708 -8.089 1.00 64.22 O ATOM 951 CB GLU A 63 10.615 6.495 -7.103 1.00 21.42 C ATOM 952 CG GLU A 63 9.370 7.373 -6.900 1.00 11.25 C ATOM 953 CD GLU A 63 9.713 8.759 -6.363 1.00 75.31 C ATOM 954 OE1 GLU A 63 10.639 9.410 -6.897 1.00 75.00 O ATOM 955 OE2 GLU A 63 9.057 9.202 -5.395 1.00 74.42 O ATOM 0 H GLU A 63 12.295 4.808 -7.623 1.00 64.34 H new ATOM 0 HA GLU A 63 9.808 4.634 -6.397 1.00 71.03 H new ATOM 0 HB2 GLU A 63 11.267 6.583 -6.234 1.00 21.42 H new ATOM 0 HB3 GLU A 63 11.178 6.857 -7.963 1.00 21.42 H new ATOM 0 HG2 GLU A 63 8.843 7.475 -7.849 1.00 11.25 H new ATOM 0 HG3 GLU A 63 8.689 6.877 -6.208 1.00 11.25 H new ATOM 962 N ALA A 64 9.563 4.935 -9.697 1.00 4.23 N ATOM 963 CA ALA A 64 8.559 4.978 -10.756 1.00 24.13 C ATOM 964 C ALA A 64 7.692 3.713 -10.811 1.00 3.13 C ATOM 965 O ALA A 64 6.487 3.841 -11.071 1.00 41.40 O ATOM 966 CB ALA A 64 9.200 5.281 -12.106 1.00 0.55 C ATOM 0 H ALA A 64 10.530 4.958 -10.020 1.00 4.23 H new ATOM 0 HA ALA A 64 7.881 5.796 -10.512 1.00 24.13 H new ATOM 0 HB1 ALA A 64 8.430 5.307 -12.877 1.00 0.55 H new ATOM 0 HB2 ALA A 64 9.702 6.247 -12.062 1.00 0.55 H new ATOM 0 HB3 ALA A 64 9.927 4.505 -12.346 1.00 0.55 H new ATOM 972 N GLU A 65 8.255 2.527 -10.536 1.00 75.21 N ATOM 973 CA GLU A 65 7.466 1.316 -10.385 1.00 4.11 C ATOM 974 C GLU A 65 6.605 1.420 -9.123 1.00 21.05 C ATOM 975 O GLU A 65 5.409 1.152 -9.183 1.00 64.23 O ATOM 976 CB GLU A 65 8.376 0.070 -10.387 1.00 20.03 C ATOM 977 CG GLU A 65 7.526 -1.217 -10.394 1.00 1.23 C ATOM 978 CD GLU A 65 8.069 -2.389 -11.236 1.00 3.45 C ATOM 979 OE1 GLU A 65 8.792 -2.156 -12.233 1.00 0.43 O ATOM 980 OE2 GLU A 65 7.774 -3.564 -10.899 1.00 14.13 O ATOM 0 H GLU A 65 9.259 2.391 -10.415 1.00 75.21 H new ATOM 0 HA GLU A 65 6.792 1.205 -11.234 1.00 4.11 H new ATOM 0 HB2 GLU A 65 9.027 0.088 -11.261 1.00 20.03 H new ATOM 0 HB3 GLU A 65 9.022 0.082 -9.509 1.00 20.03 H new ATOM 0 HG2 GLU A 65 7.413 -1.558 -9.365 1.00 1.23 H new ATOM 0 HG3 GLU A 65 6.529 -0.967 -10.758 1.00 1.23 H new ATOM 987 N VAL A 66 7.180 1.849 -7.993 1.00 20.43 N ATOM 988 CA VAL A 66 6.481 1.989 -6.713 1.00 55.41 C ATOM 989 C VAL A 66 5.247 2.889 -6.857 1.00 75.11 C ATOM 990 O VAL A 66 4.170 2.495 -6.400 1.00 15.45 O ATOM 991 CB VAL A 66 7.463 2.496 -5.631 1.00 61.32 C ATOM 992 CG1 VAL A 66 6.775 2.871 -4.309 1.00 53.34 C ATOM 993 CG2 VAL A 66 8.550 1.447 -5.337 1.00 75.03 C ATOM 0 H VAL A 66 8.164 2.113 -7.944 1.00 20.43 H new ATOM 0 HA VAL A 66 6.114 1.013 -6.394 1.00 55.41 H new ATOM 0 HB VAL A 66 7.908 3.400 -6.047 1.00 61.32 H new ATOM 0 HG11 VAL A 66 7.522 3.218 -3.596 1.00 53.34 H new ATOM 0 HG12 VAL A 66 6.049 3.664 -4.489 1.00 53.34 H new ATOM 0 HG13 VAL A 66 6.265 1.997 -3.904 1.00 53.34 H new ATOM 0 HG21 VAL A 66 9.227 1.829 -4.573 1.00 75.03 H new ATOM 0 HG22 VAL A 66 8.083 0.529 -4.982 1.00 75.03 H new ATOM 0 HG23 VAL A 66 9.111 1.239 -6.248 1.00 75.03 H new ATOM 1003 N ARG A 67 5.377 4.073 -7.477 1.00 12.52 N ATOM 1004 CA ARG A 67 4.250 4.989 -7.669 1.00 64.03 C ATOM 1005 C ARG A 67 3.198 4.244 -8.461 1.00 21.31 C ATOM 1006 O ARG A 67 2.102 4.042 -7.960 1.00 44.20 O ATOM 1007 CB ARG A 67 4.601 6.328 -8.365 1.00 20.42 C ATOM 1008 CG ARG A 67 5.925 6.972 -7.926 1.00 51.43 C ATOM 1009 CD ARG A 67 5.915 8.510 -7.858 1.00 60.12 C ATOM 1010 NE ARG A 67 5.016 9.000 -6.804 1.00 72.12 N ATOM 1011 CZ ARG A 67 4.997 10.213 -6.237 1.00 11.45 C ATOM 1012 NH1 ARG A 67 5.786 11.208 -6.639 1.00 33.33 N ATOM 1013 NH2 ARG A 67 4.127 10.422 -5.257 1.00 22.34 N ATOM 0 H ARG A 67 6.260 4.417 -7.855 1.00 12.52 H new ATOM 0 HA ARG A 67 3.897 5.286 -6.681 1.00 64.03 H new ATOM 0 HB2 ARG A 67 4.638 6.160 -9.441 1.00 20.42 H new ATOM 0 HB3 ARG A 67 3.793 7.036 -8.181 1.00 20.42 H new ATOM 0 HG2 ARG A 67 6.192 6.583 -6.944 1.00 51.43 H new ATOM 0 HG3 ARG A 67 6.709 6.660 -8.616 1.00 51.43 H new ATOM 0 HD2 ARG A 67 6.926 8.873 -7.672 1.00 60.12 H new ATOM 0 HD3 ARG A 67 5.603 8.915 -8.821 1.00 60.12 H new ATOM 0 HE ARG A 67 4.322 8.335 -6.463 1.00 72.12 H new ATOM 0 HH11 ARG A 67 6.439 11.062 -7.409 1.00 33.33 H new ATOM 0 HH12 ARG A 67 5.737 12.116 -6.177 1.00 33.33 H new ATOM 0 HH21 ARG A 67 3.503 9.672 -4.960 1.00 22.34 H new ATOM 0 HH22 ARG A 67 4.082 11.333 -4.800 1.00 22.34 H new ATOM 1027 N ALA A 68 3.548 3.795 -9.665 1.00 20.11 N ATOM 1028 CA ALA A 68 2.589 3.178 -10.578 1.00 15.12 C ATOM 1029 C ALA A 68 1.848 2.002 -9.940 1.00 63.41 C ATOM 1030 O ALA A 68 0.630 1.895 -10.107 1.00 20.11 O ATOM 1031 CB ALA A 68 3.274 2.729 -11.864 1.00 4.45 C ATOM 0 H ALA A 68 4.498 3.848 -10.033 1.00 20.11 H new ATOM 0 HA ALA A 68 1.849 3.942 -10.815 1.00 15.12 H new ATOM 0 HB1 ALA A 68 2.539 2.273 -12.527 1.00 4.45 H new ATOM 0 HB2 ALA A 68 3.723 3.591 -12.357 1.00 4.45 H new ATOM 0 HB3 ALA A 68 4.051 2.002 -11.628 1.00 4.45 H new ATOM 1037 N LYS A 69 2.569 1.149 -9.200 1.00 35.15 N ATOM 1038 CA LYS A 69 2.012 0.010 -8.480 1.00 72.42 C ATOM 1039 C LYS A 69 0.869 0.480 -7.589 1.00 34.35 C ATOM 1040 O LYS A 69 -0.239 -0.055 -7.667 1.00 31.35 O ATOM 1041 CB LYS A 69 3.109 -0.689 -7.651 1.00 35.14 C ATOM 1042 CG LYS A 69 2.712 -2.140 -7.357 1.00 55.22 C ATOM 1043 CD LYS A 69 3.154 -3.049 -8.517 1.00 74.22 C ATOM 1044 CE LYS A 69 2.608 -4.470 -8.423 1.00 24.45 C ATOM 1045 NZ LYS A 69 1.134 -4.508 -8.460 1.00 14.43 N ATOM 0 H LYS A 69 3.579 1.239 -9.087 1.00 35.15 H new ATOM 0 HA LYS A 69 1.622 -0.714 -9.195 1.00 72.42 H new ATOM 0 HB2 LYS A 69 4.054 -0.666 -8.194 1.00 35.14 H new ATOM 0 HB3 LYS A 69 3.266 -0.151 -6.716 1.00 35.14 H new ATOM 0 HG2 LYS A 69 3.174 -2.471 -6.427 1.00 55.22 H new ATOM 0 HG3 LYS A 69 1.633 -2.210 -7.219 1.00 55.22 H new ATOM 0 HD2 LYS A 69 2.829 -2.606 -9.458 1.00 74.22 H new ATOM 0 HD3 LYS A 69 4.243 -3.088 -8.542 1.00 74.22 H new ATOM 0 HE2 LYS A 69 3.005 -5.064 -9.246 1.00 24.45 H new ATOM 0 HE3 LYS A 69 2.958 -4.931 -7.499 1.00 24.45 H new ATOM 0 HZ1 LYS A 69 0.815 -5.488 -8.598 1.00 14.43 H new ATOM 0 HZ2 LYS A 69 0.755 -4.144 -7.563 1.00 14.43 H new ATOM 0 HZ3 LYS A 69 0.791 -3.919 -9.245 1.00 14.43 H new ATOM 1059 N TYR A 70 1.147 1.478 -6.749 1.00 40.32 N ATOM 1060 CA TYR A 70 0.206 2.050 -5.805 1.00 24.54 C ATOM 1061 C TYR A 70 -0.927 2.777 -6.527 1.00 60.43 C ATOM 1062 O TYR A 70 -2.094 2.497 -6.271 1.00 64.53 O ATOM 1063 CB TYR A 70 0.959 2.996 -4.868 1.00 63.54 C ATOM 1064 CG TYR A 70 0.101 3.568 -3.766 1.00 3.25 C ATOM 1065 CD1 TYR A 70 -0.389 2.734 -2.744 1.00 31.35 C ATOM 1066 CD2 TYR A 70 -0.204 4.940 -3.760 1.00 73.43 C ATOM 1067 CE1 TYR A 70 -1.120 3.285 -1.680 1.00 0.11 C ATOM 1068 CE2 TYR A 70 -0.943 5.492 -2.704 1.00 60.22 C ATOM 1069 CZ TYR A 70 -1.358 4.677 -1.630 1.00 51.22 C ATOM 1070 OH TYR A 70 -2.053 5.227 -0.598 1.00 60.20 O ATOM 0 H TYR A 70 2.066 1.920 -6.712 1.00 40.32 H new ATOM 0 HA TYR A 70 -0.250 1.250 -5.221 1.00 24.54 H new ATOM 0 HB2 TYR A 70 1.798 2.461 -4.423 1.00 63.54 H new ATOM 0 HB3 TYR A 70 1.378 3.815 -5.453 1.00 63.54 H new ATOM 0 HD1 TYR A 70 -0.203 1.671 -2.778 1.00 31.35 H new ATOM 0 HD2 TYR A 70 0.131 5.570 -4.570 1.00 73.43 H new ATOM 0 HE1 TYR A 70 -1.501 2.644 -0.899 1.00 0.11 H new ATOM 0 HE2 TYR A 70 -1.195 6.542 -2.713 1.00 60.22 H new ATOM 0 HH TYR A 70 -2.016 4.629 0.177 1.00 60.20 H new ATOM 1080 N GLU A 71 -0.604 3.680 -7.450 1.00 44.30 N ATOM 1081 CA GLU A 71 -1.524 4.541 -8.188 1.00 34.45 C ATOM 1082 C GLU A 71 -2.574 3.709 -8.937 1.00 74.41 C ATOM 1083 O GLU A 71 -3.727 4.130 -9.044 1.00 64.03 O ATOM 1084 CB GLU A 71 -0.726 5.403 -9.184 1.00 41.53 C ATOM 1085 CG GLU A 71 0.271 6.403 -8.566 1.00 41.34 C ATOM 1086 CD GLU A 71 -0.285 7.795 -8.279 1.00 43.34 C ATOM 1087 OE1 GLU A 71 -0.944 8.405 -9.151 1.00 74.23 O ATOM 1088 OE2 GLU A 71 -0.003 8.315 -7.173 1.00 60.24 O ATOM 0 H GLU A 71 0.367 3.840 -7.719 1.00 44.30 H new ATOM 0 HA GLU A 71 -2.046 5.185 -7.480 1.00 34.45 H new ATOM 0 HB2 GLU A 71 -0.177 4.738 -9.850 1.00 41.53 H new ATOM 0 HB3 GLU A 71 -1.433 5.959 -9.800 1.00 41.53 H new ATOM 0 HG2 GLU A 71 0.649 5.983 -7.634 1.00 41.34 H new ATOM 0 HG3 GLU A 71 1.122 6.503 -9.239 1.00 41.34 H new ATOM 1095 N GLY A 72 -2.208 2.519 -9.426 1.00 71.12 N ATOM 1096 CA GLY A 72 -3.093 1.629 -10.169 1.00 74.30 C ATOM 1097 C GLY A 72 -3.931 0.715 -9.269 1.00 53.31 C ATOM 1098 O GLY A 72 -4.827 0.016 -9.750 1.00 32.41 O ATOM 0 H GLY A 72 -1.266 2.144 -9.311 1.00 71.12 H new ATOM 0 HA2 GLY A 72 -3.761 2.227 -10.789 1.00 74.30 H new ATOM 0 HA3 GLY A 72 -2.496 1.015 -10.843 1.00 74.30 H new ATOM 1102 N LEU A 73 -3.668 0.699 -7.962 1.00 4.31 N ATOM 1103 CA LEU A 73 -4.234 -0.255 -7.029 1.00 40.41 C ATOM 1104 C LEU A 73 -5.638 0.121 -6.610 1.00 24.23 C ATOM 1105 O LEU A 73 -6.331 -0.759 -6.122 1.00 24.33 O ATOM 1106 CB LEU A 73 -3.356 -0.366 -5.772 1.00 11.34 C ATOM 1107 CG LEU A 73 -3.311 -1.766 -5.123 1.00 51.42 C ATOM 1108 CD1 LEU A 73 -2.959 -2.899 -6.100 1.00 1.02 C ATOM 1109 CD2 LEU A 73 -2.143 -1.710 -4.133 1.00 42.23 C ATOM 0 H LEU A 73 -3.039 1.369 -7.519 1.00 4.31 H new ATOM 0 HA LEU A 73 -4.272 -1.213 -7.547 1.00 40.41 H new ATOM 0 HB2 LEU A 73 -2.339 -0.070 -6.031 1.00 11.34 H new ATOM 0 HB3 LEU A 73 -3.717 0.348 -5.032 1.00 11.34 H new ATOM 0 HG LEU A 73 -4.295 -1.977 -4.704 1.00 51.42 H new ATOM 0 HD11 LEU A 73 -2.948 -3.849 -5.566 1.00 1.02 H new ATOM 0 HD12 LEU A 73 -3.703 -2.938 -6.895 1.00 1.02 H new ATOM 0 HD13 LEU A 73 -1.976 -2.714 -6.532 1.00 1.02 H new ATOM 0 HD21 LEU A 73 -2.046 -2.672 -3.630 1.00 42.23 H new ATOM 0 HD22 LEU A 73 -1.221 -1.487 -4.670 1.00 42.23 H new ATOM 0 HD23 LEU A 73 -2.330 -0.931 -3.394 1.00 42.23 H new ATOM 1121 N MET A 74 -6.082 1.369 -6.784 1.00 1.31 N ATOM 1122 CA MET A 74 -7.396 1.820 -6.332 1.00 53.34 C ATOM 1123 C MET A 74 -8.479 0.914 -6.907 1.00 32.25 C ATOM 1124 O MET A 74 -9.349 0.446 -6.172 1.00 74.53 O ATOM 1125 CB MET A 74 -7.637 3.287 -6.722 1.00 41.12 C ATOM 1126 CG MET A 74 -8.998 3.789 -6.223 1.00 60.52 C ATOM 1127 SD MET A 74 -9.283 5.561 -6.446 1.00 4.23 S ATOM 1128 CE MET A 74 -8.196 6.250 -5.170 1.00 62.31 C ATOM 0 H MET A 74 -5.535 2.096 -7.245 1.00 1.31 H new ATOM 0 HA MET A 74 -7.433 1.760 -5.244 1.00 53.34 H new ATOM 0 HB2 MET A 74 -6.845 3.909 -6.306 1.00 41.12 H new ATOM 0 HB3 MET A 74 -7.586 3.389 -7.806 1.00 41.12 H new ATOM 0 HG2 MET A 74 -9.784 3.241 -6.743 1.00 60.52 H new ATOM 0 HG3 MET A 74 -9.091 3.551 -5.163 1.00 60.52 H new ATOM 0 HE1 MET A 74 -8.761 6.942 -4.546 1.00 62.31 H new ATOM 0 HE2 MET A 74 -7.803 5.443 -4.552 1.00 62.31 H new ATOM 0 HE3 MET A 74 -7.370 6.780 -5.643 1.00 62.31 H new ATOM 1138 N ALA A 75 -8.385 0.616 -8.203 1.00 13.52 N ATOM 1139 CA ALA A 75 -9.304 -0.280 -8.873 1.00 74.43 C ATOM 1140 C ALA A 75 -9.291 -1.675 -8.236 1.00 21.33 C ATOM 1141 O ALA A 75 -10.361 -2.255 -8.045 1.00 43.31 O ATOM 1142 CB ALA A 75 -8.924 -0.355 -10.350 1.00 12.44 C ATOM 0 H ALA A 75 -7.662 0.996 -8.814 1.00 13.52 H new ATOM 0 HA ALA A 75 -10.318 0.106 -8.772 1.00 74.43 H new ATOM 0 HB1 ALA A 75 -9.608 -1.027 -10.868 1.00 12.44 H new ATOM 0 HB2 ALA A 75 -8.987 0.639 -10.793 1.00 12.44 H new ATOM 0 HB3 ALA A 75 -7.905 -0.731 -10.445 1.00 12.44 H new ATOM 1148 N VAL A 76 -8.112 -2.213 -7.892 1.00 51.33 N ATOM 1149 CA VAL A 76 -8.021 -3.537 -7.263 1.00 73.43 C ATOM 1150 C VAL A 76 -8.615 -3.462 -5.849 1.00 41.30 C ATOM 1151 O VAL A 76 -9.373 -4.331 -5.418 1.00 15.33 O ATOM 1152 CB VAL A 76 -6.554 -4.032 -7.216 1.00 14.43 C ATOM 1153 CG1 VAL A 76 -6.482 -5.522 -6.844 1.00 62.42 C ATOM 1154 CG2 VAL A 76 -5.800 -3.831 -8.543 1.00 74.34 C ATOM 0 H VAL A 76 -7.213 -1.754 -8.038 1.00 51.33 H new ATOM 0 HA VAL A 76 -8.587 -4.254 -7.857 1.00 73.43 H new ATOM 0 HB VAL A 76 -6.072 -3.422 -6.452 1.00 14.43 H new ATOM 0 HG11 VAL A 76 -5.440 -5.841 -6.819 1.00 62.42 H new ATOM 0 HG12 VAL A 76 -6.932 -5.674 -5.863 1.00 62.42 H new ATOM 0 HG13 VAL A 76 -7.023 -6.109 -7.586 1.00 62.42 H new ATOM 0 HG21 VAL A 76 -4.779 -4.199 -8.441 1.00 74.34 H new ATOM 0 HG22 VAL A 76 -6.306 -4.381 -9.336 1.00 74.34 H new ATOM 0 HG23 VAL A 76 -5.780 -2.770 -8.793 1.00 74.34 H new ATOM 1164 N ALA A 77 -8.274 -2.394 -5.124 1.00 4.01 N ATOM 1165 CA ALA A 77 -8.616 -2.169 -3.738 1.00 53.42 C ATOM 1166 C ALA A 77 -10.134 -2.166 -3.583 1.00 0.12 C ATOM 1167 O ALA A 77 -10.681 -2.870 -2.738 1.00 53.42 O ATOM 1168 CB ALA A 77 -8.007 -0.851 -3.245 1.00 62.44 C ATOM 0 H ALA A 77 -7.724 -1.630 -5.518 1.00 4.01 H new ATOM 0 HA ALA A 77 -8.205 -2.973 -3.128 1.00 53.42 H new ATOM 0 HB1 ALA A 77 -8.273 -0.696 -2.200 1.00 62.44 H new ATOM 0 HB2 ALA A 77 -6.922 -0.893 -3.341 1.00 62.44 H new ATOM 0 HB3 ALA A 77 -8.392 -0.026 -3.844 1.00 62.44 H new ATOM 1174 N LYS A 78 -10.805 -1.365 -4.414 1.00 31.14 N ATOM 1175 CA LYS A 78 -12.253 -1.248 -4.459 1.00 34.34 C ATOM 1176 C LYS A 78 -12.878 -2.588 -4.813 1.00 32.25 C ATOM 1177 O LYS A 78 -13.798 -2.999 -4.107 1.00 22.33 O ATOM 1178 CB LYS A 78 -12.656 -0.186 -5.496 1.00 43.03 C ATOM 1179 CG LYS A 78 -12.327 1.265 -5.094 1.00 60.43 C ATOM 1180 CD LYS A 78 -12.671 2.228 -6.244 1.00 20.35 C ATOM 1181 CE LYS A 78 -14.190 2.413 -6.388 1.00 41.11 C ATOM 1182 NZ LYS A 78 -14.679 3.610 -5.676 1.00 44.44 N ATOM 0 H LYS A 78 -10.336 -0.765 -5.092 1.00 31.14 H new ATOM 0 HA LYS A 78 -12.615 -0.944 -3.477 1.00 34.34 H new ATOM 0 HB2 LYS A 78 -12.156 -0.410 -6.438 1.00 43.03 H new ATOM 0 HB3 LYS A 78 -13.728 -0.264 -5.678 1.00 43.03 H new ATOM 0 HG2 LYS A 78 -12.889 1.539 -4.201 1.00 60.43 H new ATOM 0 HG3 LYS A 78 -11.270 1.350 -4.844 1.00 60.43 H new ATOM 0 HD2 LYS A 78 -12.201 3.195 -6.063 1.00 20.35 H new ATOM 0 HD3 LYS A 78 -12.260 1.843 -7.177 1.00 20.35 H new ATOM 0 HE2 LYS A 78 -14.445 2.492 -7.445 1.00 41.11 H new ATOM 0 HE3 LYS A 78 -14.699 1.530 -6.002 1.00 41.11 H new ATOM 0 HZ1 LYS A 78 -15.594 3.398 -5.229 1.00 44.44 H new ATOM 0 HZ2 LYS A 78 -13.992 3.884 -4.945 1.00 44.44 H new ATOM 0 HZ3 LYS A 78 -14.797 4.392 -6.352 1.00 44.44 H new ATOM 1196 N ALA A 79 -12.393 -3.246 -5.872 1.00 14.05 N ATOM 1197 CA ALA A 79 -12.949 -4.505 -6.348 1.00 1.01 C ATOM 1198 C ALA A 79 -12.955 -5.561 -5.245 1.00 12.11 C ATOM 1199 O ALA A 79 -13.937 -6.285 -5.110 1.00 55.23 O ATOM 1200 CB ALA A 79 -12.155 -5.003 -7.558 1.00 44.30 C ATOM 0 H ALA A 79 -11.600 -2.914 -6.421 1.00 14.05 H new ATOM 0 HA ALA A 79 -13.983 -4.329 -6.646 1.00 1.01 H new ATOM 0 HB1 ALA A 79 -12.577 -5.945 -7.908 1.00 44.30 H new ATOM 0 HB2 ALA A 79 -12.207 -4.263 -8.357 1.00 44.30 H new ATOM 0 HB3 ALA A 79 -11.114 -5.156 -7.272 1.00 44.30 H new ATOM 1206 N GLN A 80 -11.882 -5.657 -4.453 1.00 35.31 N ATOM 1207 CA GLN A 80 -11.874 -6.597 -3.343 1.00 12.31 C ATOM 1208 C GLN A 80 -12.813 -6.153 -2.219 1.00 61.41 C ATOM 1209 O GLN A 80 -13.414 -7.002 -1.589 1.00 53.00 O ATOM 1210 CB GLN A 80 -10.466 -6.796 -2.784 1.00 40.12 C ATOM 1211 CG GLN A 80 -9.552 -7.665 -3.669 1.00 54.13 C ATOM 1212 CD GLN A 80 -8.255 -8.016 -2.937 1.00 63.20 C ATOM 1213 OE1 GLN A 80 -8.005 -7.536 -1.835 1.00 21.14 O ATOM 1214 NE2 GLN A 80 -7.380 -8.831 -3.493 1.00 64.33 N ATOM 0 H GLN A 80 -11.030 -5.107 -4.560 1.00 35.31 H new ATOM 0 HA GLN A 80 -12.231 -7.547 -3.740 1.00 12.31 H new ATOM 0 HB2 GLN A 80 -10.000 -5.820 -2.648 1.00 40.12 H new ATOM 0 HB3 GLN A 80 -10.540 -7.254 -1.798 1.00 40.12 H new ATOM 0 HG2 GLN A 80 -10.074 -8.579 -3.950 1.00 54.13 H new ATOM 0 HG3 GLN A 80 -9.321 -7.133 -4.592 1.00 54.13 H new ATOM 0 HE21 GLN A 80 -7.572 -9.238 -4.408 1.00 64.33 H new ATOM 0 HE22 GLN A 80 -6.511 -9.054 -3.008 1.00 64.33 H new ATOM 1223 N LEU A 81 -12.947 -4.863 -1.906 1.00 75.40 N ATOM 1224 CA LEU A 81 -13.678 -4.412 -0.719 1.00 44.30 C ATOM 1225 C LEU A 81 -15.187 -4.582 -0.923 1.00 40.22 C ATOM 1226 O LEU A 81 -15.921 -4.893 0.015 1.00 52.42 O ATOM 1227 CB LEU A 81 -13.229 -2.981 -0.369 1.00 3.13 C ATOM 1228 CG LEU A 81 -14.197 -1.833 -0.668 1.00 4.34 C ATOM 1229 CD1 LEU A 81 -15.227 -1.711 0.461 1.00 11.34 C ATOM 1230 CD2 LEU A 81 -13.426 -0.517 -0.728 1.00 62.13 C ATOM 0 H LEU A 81 -12.555 -4.105 -2.464 1.00 75.40 H new ATOM 0 HA LEU A 81 -13.443 -5.030 0.148 1.00 44.30 H new ATOM 0 HB2 LEU A 81 -12.997 -2.954 0.696 1.00 3.13 H new ATOM 0 HB3 LEU A 81 -12.300 -2.782 -0.903 1.00 3.13 H new ATOM 0 HG LEU A 81 -14.692 -2.037 -1.617 1.00 4.34 H new ATOM 0 HD11 LEU A 81 -15.912 -0.892 0.241 1.00 11.34 H new ATOM 0 HD12 LEU A 81 -15.788 -2.642 0.544 1.00 11.34 H new ATOM 0 HD13 LEU A 81 -14.714 -1.512 1.402 1.00 11.34 H new ATOM 0 HD21 LEU A 81 -14.116 0.300 -0.941 1.00 62.13 H new ATOM 0 HD22 LEU A 81 -12.936 -0.338 0.229 1.00 62.13 H new ATOM 0 HD23 LEU A 81 -12.674 -0.571 -1.515 1.00 62.13 H new ATOM 1242 N MET A 82 -15.649 -4.373 -2.155 1.00 32.52 N ATOM 1243 CA MET A 82 -17.042 -4.560 -2.554 1.00 52.03 C ATOM 1244 C MET A 82 -17.423 -6.045 -2.628 1.00 12.35 C ATOM 1245 O MET A 82 -18.604 -6.365 -2.754 1.00 35.54 O ATOM 1246 CB MET A 82 -17.293 -3.823 -3.880 1.00 14.13 C ATOM 1247 CG MET A 82 -17.181 -2.307 -3.658 1.00 33.22 C ATOM 1248 SD MET A 82 -17.590 -1.237 -5.063 1.00 74.32 S ATOM 1249 CE MET A 82 -16.360 -1.803 -6.266 1.00 3.12 C ATOM 0 H MET A 82 -15.051 -4.062 -2.920 1.00 32.52 H new ATOM 0 HA MET A 82 -17.690 -4.129 -1.791 1.00 52.03 H new ATOM 0 HB2 MET A 82 -16.570 -4.145 -4.629 1.00 14.13 H new ATOM 0 HB3 MET A 82 -18.282 -4.072 -4.264 1.00 14.13 H new ATOM 0 HG2 MET A 82 -17.832 -2.037 -2.826 1.00 33.22 H new ATOM 0 HG3 MET A 82 -16.160 -2.084 -3.349 1.00 33.22 H new ATOM 0 HE1 MET A 82 -15.913 -0.941 -6.762 1.00 3.12 H new ATOM 0 HE2 MET A 82 -15.583 -2.370 -5.753 1.00 3.12 H new ATOM 0 HE3 MET A 82 -16.843 -2.439 -7.008 1.00 3.12 H new ATOM 1259 N ASP A 83 -16.444 -6.938 -2.519 1.00 73.44 N ATOM 1260 CA ASP A 83 -16.557 -8.383 -2.675 1.00 23.55 C ATOM 1261 C ASP A 83 -16.314 -9.080 -1.331 1.00 11.31 C ATOM 1262 O ASP A 83 -17.000 -10.034 -0.985 1.00 71.34 O ATOM 1263 CB ASP A 83 -15.515 -8.759 -3.728 1.00 71.44 C ATOM 1264 CG ASP A 83 -15.360 -10.248 -3.966 1.00 54.01 C ATOM 1265 OD1 ASP A 83 -16.362 -10.935 -4.228 1.00 1.32 O ATOM 1266 OD2 ASP A 83 -14.195 -10.698 -4.074 1.00 63.44 O ATOM 0 H ASP A 83 -15.489 -6.652 -2.305 1.00 73.44 H new ATOM 0 HA ASP A 83 -17.551 -8.698 -2.994 1.00 23.55 H new ATOM 0 HB2 ASP A 83 -15.782 -8.281 -4.670 1.00 71.44 H new ATOM 0 HB3 ASP A 83 -14.550 -8.351 -3.426 1.00 71.44 H new ATOM 1271 N GLU A 84 -15.422 -8.527 -0.508 1.00 1.45 N ATOM 1272 CA GLU A 84 -15.090 -8.973 0.846 1.00 73.23 C ATOM 1273 C GLU A 84 -15.883 -8.216 1.924 1.00 41.44 C ATOM 1274 O GLU A 84 -15.460 -8.058 3.074 1.00 21.35 O ATOM 1275 CB GLU A 84 -13.589 -8.790 1.058 1.00 43.44 C ATOM 1276 CG GLU A 84 -12.729 -9.796 0.280 1.00 3.11 C ATOM 1277 CD GLU A 84 -13.011 -11.235 0.716 1.00 40.04 C ATOM 1278 OE1 GLU A 84 -12.629 -11.598 1.853 1.00 52.30 O ATOM 1279 OE2 GLU A 84 -13.608 -11.996 -0.075 1.00 41.00 O ATOM 0 H GLU A 84 -14.880 -7.708 -0.785 1.00 1.45 H new ATOM 0 HA GLU A 84 -15.365 -10.023 0.943 1.00 73.23 H new ATOM 0 HB2 GLU A 84 -13.309 -7.779 0.760 1.00 43.44 H new ATOM 0 HB3 GLU A 84 -13.367 -8.882 2.121 1.00 43.44 H new ATOM 0 HG2 GLU A 84 -12.925 -9.694 -0.787 1.00 3.11 H new ATOM 0 HG3 GLU A 84 -11.674 -9.569 0.434 1.00 3.11 H new ATOM 1286 N LEU A 85 -17.017 -7.665 1.531 1.00 53.14 N ATOM 1287 CA LEU A 85 -18.089 -7.190 2.390 1.00 64.53 C ATOM 1288 C LEU A 85 -18.738 -8.278 3.240 1.00 73.50 C ATOM 1289 O LEU A 85 -19.815 -8.000 3.810 1.00 34.54 O ATOM 1290 CB LEU A 85 -19.083 -6.325 1.606 1.00 0.03 C ATOM 1291 CG LEU A 85 -20.180 -7.079 0.847 1.00 43.31 C ATOM 1292 CD1 LEU A 85 -20.930 -6.079 -0.030 1.00 63.34 C ATOM 1293 CD2 LEU A 85 -19.521 -8.197 0.068 1.00 64.31 C ATOM 0 H LEU A 85 -17.228 -7.528 0.542 1.00 53.14 H new ATOM 0 HA LEU A 85 -17.630 -6.540 3.135 1.00 64.53 H new ATOM 0 HB2 LEU A 85 -19.560 -5.634 2.301 1.00 0.03 H new ATOM 0 HB3 LEU A 85 -18.523 -5.722 0.891 1.00 0.03 H new ATOM 0 HG LEU A 85 -20.916 -7.534 1.509 1.00 43.31 H new ATOM 0 HD11 LEU A 85 -21.717 -6.596 -0.580 1.00 63.34 H new ATOM 0 HD12 LEU A 85 -21.374 -5.306 0.597 1.00 63.34 H new ATOM 0 HD13 LEU A 85 -20.236 -5.621 -0.734 1.00 63.34 H new ATOM 0 HD21 LEU A 85 -20.280 -8.752 -0.484 1.00 64.31 H new ATOM 0 HD22 LEU A 85 -18.799 -7.776 -0.632 1.00 64.31 H new ATOM 0 HD23 LEU A 85 -19.009 -8.868 0.758 1.00 64.31 H new TER 1305 LEU A 85