USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -179:sc= 0.193 (180deg=0.16) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.043) USER MOD Single : A 17 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.2!) USER MOD Single : A 22 ASN : amide:sc= -3.6! C(o=-3.6!,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ASP N :NH3+ 178:sc= 0.149 (180deg=0.149) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -0.552 K(o=-0.55,f=-0.037) USER MOD Single : B 17 GLN : amide:sc= -0.425 K(o=-0.42,f=-3.2!) USER MOD Single : B 22 ASN : amide:sc= -2.08 K(o=-2.1,f=-1.3) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.16) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 40.202 18.435 -6.531 1.00 0.00 N ATOM 2 CA ASP A 1 40.042 18.816 -5.098 1.00 0.00 C ATOM 3 C ASP A 1 39.024 17.897 -4.418 1.00 0.00 C ATOM 4 O ASP A 1 37.848 18.195 -4.355 1.00 0.00 O ATOM 5 CB ASP A 1 39.530 20.256 -5.125 1.00 0.00 C ATOM 6 CG ASP A 1 40.651 21.189 -5.586 1.00 0.00 C ATOM 7 OD1 ASP A 1 41.725 20.691 -5.884 1.00 0.00 O ATOM 8 OD2 ASP A 1 40.418 22.385 -5.634 1.00 0.00 O ATOM 0 H1 ASP A 1 40.908 19.054 -6.978 1.00 0.00 H new ATOM 0 H2 ASP A 1 40.519 17.447 -6.594 1.00 0.00 H new ATOM 0 H3 ASP A 1 39.291 18.538 -7.021 1.00 0.00 H new ATOM 0 HA ASP A 1 40.974 18.726 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 1 38.676 20.337 -5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 1 39.184 20.549 -4.134 1.00 0.00 H new ATOM 15 N GLY A 2 39.467 16.780 -3.908 1.00 0.00 N ATOM 16 CA GLY A 2 38.525 15.843 -3.233 1.00 0.00 C ATOM 17 C GLY A 2 39.232 14.513 -2.966 1.00 0.00 C ATOM 18 O GLY A 2 39.995 14.031 -3.779 1.00 0.00 O ATOM 0 H GLY A 2 40.440 16.476 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 2 38.175 16.275 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 2 37.646 15.681 -3.858 1.00 0.00 H new ATOM 22 N GLU A 3 38.985 13.917 -1.831 1.00 0.00 N ATOM 23 CA GLU A 3 39.646 12.618 -1.514 1.00 0.00 C ATOM 24 C GLU A 3 38.633 11.643 -0.908 1.00 0.00 C ATOM 25 O GLU A 3 38.771 11.211 0.220 1.00 0.00 O ATOM 26 CB GLU A 3 40.731 12.966 -0.495 1.00 0.00 C ATOM 27 CG GLU A 3 41.969 12.105 -0.753 1.00 0.00 C ATOM 28 CD GLU A 3 43.226 12.895 -0.380 1.00 0.00 C ATOM 29 OE1 GLU A 3 43.089 14.051 -0.017 1.00 0.00 O ATOM 30 OE2 GLU A 3 44.303 12.329 -0.464 1.00 0.00 O ATOM 0 H GLU A 3 38.356 14.272 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 3 40.058 12.136 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 3 40.988 14.023 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 3 40.362 12.797 0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 3 41.916 11.188 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 3 42.009 11.811 -1.802 1.00 0.00 H new ATOM 37 N TYR A 4 37.618 11.291 -1.648 1.00 0.00 N ATOM 38 CA TYR A 4 36.599 10.343 -1.112 1.00 0.00 C ATOM 39 C TYR A 4 35.918 9.593 -2.260 1.00 0.00 C ATOM 40 O TYR A 4 36.189 9.834 -3.419 1.00 0.00 O ATOM 41 CB TYR A 4 35.589 11.223 -0.373 1.00 0.00 C ATOM 42 CG TYR A 4 34.774 12.005 -1.375 1.00 0.00 C ATOM 43 CD1 TYR A 4 35.232 13.247 -1.833 1.00 0.00 C ATOM 44 CD2 TYR A 4 33.561 11.490 -1.846 1.00 0.00 C ATOM 45 CE1 TYR A 4 34.477 13.972 -2.762 1.00 0.00 C ATOM 46 CE2 TYR A 4 32.806 12.215 -2.775 1.00 0.00 C ATOM 47 CZ TYR A 4 33.264 13.456 -3.233 1.00 0.00 C ATOM 48 OH TYR A 4 32.520 14.171 -4.149 1.00 0.00 O ATOM 0 H TYR A 4 37.450 11.618 -2.599 1.00 0.00 H new ATOM 0 HA TYR A 4 37.039 9.590 -0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 4 34.934 10.606 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.109 11.905 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.168 13.645 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 4 33.207 10.533 -1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.830 14.929 -3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 4 31.870 11.817 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 4 31.707 13.671 -4.372 1.00 0.00 H new ATOM 58 N PHE A 5 35.034 8.687 -1.944 1.00 0.00 N ATOM 59 CA PHE A 5 34.334 7.922 -3.016 1.00 0.00 C ATOM 60 C PHE A 5 32.817 8.027 -2.830 1.00 0.00 C ATOM 61 O PHE A 5 32.338 8.639 -1.897 1.00 0.00 O ATOM 62 CB PHE A 5 34.798 6.476 -2.840 1.00 0.00 C ATOM 63 CG PHE A 5 36.307 6.431 -2.800 1.00 0.00 C ATOM 64 CD1 PHE A 5 37.044 6.616 -3.976 1.00 0.00 C ATOM 65 CD2 PHE A 5 36.969 6.205 -1.588 1.00 0.00 C ATOM 66 CE1 PHE A 5 38.443 6.573 -3.940 1.00 0.00 C ATOM 67 CE2 PHE A 5 38.368 6.162 -1.551 1.00 0.00 C ATOM 68 CZ PHE A 5 39.105 6.346 -2.727 1.00 0.00 C ATOM 0 H PHE A 5 34.766 8.443 -0.991 1.00 0.00 H new ATOM 0 HA PHE A 5 34.561 8.302 -4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 5 34.387 6.061 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 5 34.427 5.862 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 5 36.533 6.792 -4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 5 36.401 6.064 -0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 5 39.011 6.715 -4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 5 38.878 5.987 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 5 40.184 6.313 -2.699 1.00 0.00 H new ATOM 78 N THR A 6 32.059 7.434 -3.711 1.00 0.00 N ATOM 79 CA THR A 6 30.575 7.502 -3.582 1.00 0.00 C ATOM 80 C THR A 6 29.931 6.269 -4.222 1.00 0.00 C ATOM 81 O THR A 6 30.281 5.871 -5.315 1.00 0.00 O ATOM 82 CB THR A 6 30.169 8.771 -4.333 1.00 0.00 C ATOM 83 OG1 THR A 6 28.755 8.807 -4.468 1.00 0.00 O ATOM 84 CG2 THR A 6 30.816 8.776 -5.719 1.00 0.00 C ATOM 0 H THR A 6 32.402 6.906 -4.514 1.00 0.00 H new ATOM 0 HA THR A 6 30.252 7.524 -2.541 1.00 0.00 H new ATOM 0 HB THR A 6 30.504 9.646 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 6 28.493 9.620 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 6 30.526 9.681 -6.253 1.00 0.00 H new ATOM 0 HG22 THR A 6 31.901 8.749 -5.614 1.00 0.00 H new ATOM 0 HG23 THR A 6 30.483 7.902 -6.279 1.00 0.00 H new ATOM 92 N LEU A 7 28.991 5.664 -3.550 1.00 0.00 N ATOM 93 CA LEU A 7 28.325 4.458 -4.121 1.00 0.00 C ATOM 94 C LEU A 7 26.828 4.719 -4.302 1.00 0.00 C ATOM 95 O LEU A 7 26.170 5.248 -3.429 1.00 0.00 O ATOM 96 CB LEU A 7 28.556 3.353 -3.090 1.00 0.00 C ATOM 97 CG LEU A 7 28.211 1.998 -3.710 1.00 0.00 C ATOM 98 CD1 LEU A 7 29.195 1.687 -4.840 1.00 0.00 C ATOM 99 CD2 LEU A 7 28.307 0.909 -2.639 1.00 0.00 C ATOM 0 H LEU A 7 28.655 5.952 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 7 28.722 4.191 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 7 29.595 3.360 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 7 27.940 3.529 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 7 27.197 2.029 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 7 28.949 0.721 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 7 29.129 2.462 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 7 30.209 1.656 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 7 28.061 -0.057 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 7 29.321 0.879 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.607 1.129 -1.833 1.00 0.00 H new ATOM 111 N GLN A 8 26.286 4.352 -5.431 1.00 0.00 N ATOM 112 CA GLN A 8 24.832 4.580 -5.667 1.00 0.00 C ATOM 113 C GLN A 8 24.118 3.246 -5.896 1.00 0.00 C ATOM 114 O GLN A 8 24.378 2.548 -6.856 1.00 0.00 O ATOM 115 CB GLN A 8 24.768 5.446 -6.926 1.00 0.00 C ATOM 116 CG GLN A 8 25.790 6.580 -6.819 1.00 0.00 C ATOM 117 CD GLN A 8 25.069 7.926 -6.909 1.00 0.00 C ATOM 118 OE1 GLN A 8 25.487 8.805 -7.637 1.00 0.00 O ATOM 119 NE2 GLN A 8 23.995 8.126 -6.195 1.00 0.00 N ATOM 0 H GLN A 8 26.786 3.905 -6.199 1.00 0.00 H new ATOM 0 HA GLN A 8 24.345 5.058 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 8 24.973 4.839 -7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.765 5.856 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 8 26.332 6.508 -5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 8 26.527 6.496 -7.617 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.644 7.388 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.507 9.020 -6.248 1.00 0.00 H new ATOM 128 N ILE A 9 23.219 2.885 -5.021 1.00 0.00 N ATOM 129 CA ILE A 9 22.490 1.596 -5.189 1.00 0.00 C ATOM 130 C ILE A 9 20.987 1.852 -5.331 1.00 0.00 C ATOM 131 O ILE A 9 20.387 2.540 -4.529 1.00 0.00 O ATOM 132 CB ILE A 9 22.781 0.806 -3.913 1.00 0.00 C ATOM 133 CG1 ILE A 9 24.282 0.523 -3.820 1.00 0.00 C ATOM 134 CG2 ILE A 9 22.015 -0.518 -3.946 1.00 0.00 C ATOM 135 CD1 ILE A 9 24.902 1.408 -2.737 1.00 0.00 C ATOM 0 H ILE A 9 22.958 3.427 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 9 22.806 1.057 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 9 22.465 1.387 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 9 24.451 -0.528 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 9 24.760 0.717 -4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 9 22.223 -1.081 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 9 20.946 -0.318 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.330 -1.099 -4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 9 25.971 1.207 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 9 24.745 2.457 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 9 24.432 1.192 -1.778 1.00 0.00 H new ATOM 147 N ARG A 10 20.376 1.304 -6.345 1.00 0.00 N ATOM 148 CA ARG A 10 18.912 1.517 -6.538 1.00 0.00 C ATOM 149 C ARG A 10 18.123 0.357 -5.924 1.00 0.00 C ATOM 150 O ARG A 10 17.154 -0.112 -6.485 1.00 0.00 O ATOM 151 CB ARG A 10 18.715 1.557 -8.053 1.00 0.00 C ATOM 152 CG ARG A 10 18.932 0.157 -8.632 1.00 0.00 C ATOM 153 CD ARG A 10 17.666 -0.294 -9.364 1.00 0.00 C ATOM 154 NE ARG A 10 18.080 -0.459 -10.784 1.00 0.00 N ATOM 155 CZ ARG A 10 17.364 -1.192 -11.591 1.00 0.00 C ATOM 156 NH1 ARG A 10 17.280 -2.480 -11.403 1.00 0.00 N ATOM 157 NH2 ARG A 10 16.729 -0.636 -12.587 1.00 0.00 N ATOM 0 H ARG A 10 20.826 0.718 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 10 18.560 2.429 -6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.711 1.909 -8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 10 19.415 2.261 -8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 10 19.779 0.163 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 10 19.173 -0.545 -7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.284 -1.229 -8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.870 0.445 -9.268 1.00 0.00 H new ATOM 0 HE ARG A 10 18.924 0.001 -11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.775 -2.915 -10.624 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.720 -3.052 -12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.793 0.371 -12.734 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.169 -1.209 -13.218 1.00 0.00 H new ATOM 171 N GLY A 11 18.532 -0.108 -4.775 1.00 0.00 N ATOM 172 CA GLY A 11 17.805 -1.237 -4.128 1.00 0.00 C ATOM 173 C GLY A 11 18.086 -1.234 -2.625 1.00 0.00 C ATOM 174 O GLY A 11 19.222 -1.277 -2.196 1.00 0.00 O ATOM 0 H GLY A 11 19.337 0.244 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.734 -1.144 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 11 18.121 -2.184 -4.565 1.00 0.00 H new ATOM 178 N ARG A 12 17.060 -1.185 -1.820 1.00 0.00 N ATOM 179 CA ARG A 12 17.270 -1.180 -0.343 1.00 0.00 C ATOM 180 C ARG A 12 17.858 -2.518 0.112 1.00 0.00 C ATOM 181 O ARG A 12 18.746 -2.568 0.939 1.00 0.00 O ATOM 182 CB ARG A 12 15.877 -0.976 0.254 1.00 0.00 C ATOM 183 CG ARG A 12 15.994 -0.750 1.762 1.00 0.00 C ATOM 184 CD ARG A 12 15.061 0.389 2.182 1.00 0.00 C ATOM 185 NE ARG A 12 15.946 1.389 2.841 1.00 0.00 N ATOM 186 CZ ARG A 12 15.656 1.832 4.034 1.00 0.00 C ATOM 187 NH1 ARG A 12 14.453 2.267 4.294 1.00 0.00 N ATOM 188 NH2 ARG A 12 16.569 1.841 4.966 1.00 0.00 N ATOM 0 H ARG A 12 16.086 -1.148 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 12 17.967 -0.403 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.391 -0.121 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.253 -1.847 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.735 -1.663 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 12 17.023 -0.507 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.552 0.820 1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.288 0.035 2.865 1.00 0.00 H new ATOM 0 HE ARG A 12 16.779 1.728 2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.740 2.261 3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.226 2.613 5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.509 1.502 4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.343 2.187 5.898 1.00 0.00 H new ATOM 202 N GLU A 13 17.370 -3.603 -0.424 1.00 0.00 N ATOM 203 CA GLU A 13 17.901 -4.937 -0.022 1.00 0.00 C ATOM 204 C GLU A 13 19.433 -4.920 -0.028 1.00 0.00 C ATOM 205 O GLU A 13 20.072 -5.407 0.884 1.00 0.00 O ATOM 206 CB GLU A 13 17.371 -5.907 -1.079 1.00 0.00 C ATOM 207 CG GLU A 13 17.202 -7.296 -0.459 1.00 0.00 C ATOM 208 CD GLU A 13 15.796 -7.820 -0.757 1.00 0.00 C ATOM 209 OE1 GLU A 13 14.861 -7.044 -0.650 1.00 0.00 O ATOM 210 OE2 GLU A 13 15.679 -8.989 -1.088 1.00 0.00 O ATOM 0 H GLU A 13 16.627 -3.624 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 13 17.591 -5.220 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.416 -5.552 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.060 -5.955 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.949 -7.979 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.363 -7.247 0.618 1.00 0.00 H new ATOM 217 N ARG A 14 20.025 -4.360 -1.046 1.00 0.00 N ATOM 218 CA ARG A 14 21.510 -4.305 -1.110 1.00 0.00 C ATOM 219 C ARG A 14 22.018 -3.111 -0.303 1.00 0.00 C ATOM 220 O ARG A 14 23.011 -3.191 0.395 1.00 0.00 O ATOM 221 CB ARG A 14 21.836 -4.127 -2.594 1.00 0.00 C ATOM 222 CG ARG A 14 21.210 -5.270 -3.395 1.00 0.00 C ATOM 223 CD ARG A 14 20.693 -4.734 -4.732 1.00 0.00 C ATOM 224 NE ARG A 14 21.858 -4.035 -5.342 1.00 0.00 N ATOM 225 CZ ARG A 14 21.724 -3.417 -6.484 1.00 0.00 C ATOM 226 NH1 ARG A 14 20.647 -3.592 -7.200 1.00 0.00 N ATOM 227 NH2 ARG A 14 22.668 -2.623 -6.911 1.00 0.00 N ATOM 0 H ARG A 14 19.542 -3.937 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 14 21.980 -5.197 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 14 21.455 -3.169 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.916 -4.115 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 14 21.947 -6.054 -3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 14 20.393 -5.719 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.339 -5.543 -5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.855 -4.052 -4.587 1.00 0.00 H new ATOM 0 HE ARG A 14 22.761 -4.039 -4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 14 19.909 -4.212 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.544 -3.108 -8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.510 -2.486 -6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.563 -2.140 -7.803 1.00 0.00 H new ATOM 241 N PHE A 15 21.342 -2.000 -0.398 1.00 0.00 N ATOM 242 CA PHE A 15 21.787 -0.801 0.358 1.00 0.00 C ATOM 243 C PHE A 15 21.775 -1.090 1.859 1.00 0.00 C ATOM 244 O PHE A 15 22.752 -0.874 2.548 1.00 0.00 O ATOM 245 CB PHE A 15 20.781 0.297 0.016 1.00 0.00 C ATOM 246 CG PHE A 15 21.252 1.597 0.621 1.00 0.00 C ATOM 247 CD1 PHE A 15 22.453 2.172 0.189 1.00 0.00 C ATOM 248 CD2 PHE A 15 20.497 2.221 1.621 1.00 0.00 C ATOM 249 CE1 PHE A 15 22.900 3.370 0.757 1.00 0.00 C ATOM 250 CE2 PHE A 15 20.942 3.421 2.187 1.00 0.00 C ATOM 251 CZ PHE A 15 22.144 3.994 1.756 1.00 0.00 C ATOM 0 H PHE A 15 20.504 -1.872 -0.965 1.00 0.00 H new ATOM 0 HA PHE A 15 22.804 -0.509 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 15 20.685 0.397 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.795 0.038 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 15 23.035 1.691 -0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.571 1.776 1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.827 3.813 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 15 20.358 3.905 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 15 22.489 4.919 2.195 1.00 0.00 H new ATOM 261 N GLU A 16 20.678 -1.581 2.371 1.00 0.00 N ATOM 262 CA GLU A 16 20.611 -1.887 3.828 1.00 0.00 C ATOM 263 C GLU A 16 21.907 -2.570 4.268 1.00 0.00 C ATOM 264 O GLU A 16 22.440 -2.296 5.327 1.00 0.00 O ATOM 265 CB GLU A 16 19.422 -2.836 3.981 1.00 0.00 C ATOM 266 CG GLU A 16 18.119 -2.037 3.908 1.00 0.00 C ATOM 267 CD GLU A 16 17.723 -1.577 5.312 1.00 0.00 C ATOM 268 OE1 GLU A 16 18.557 -0.986 5.978 1.00 0.00 O ATOM 269 OE2 GLU A 16 16.592 -1.825 5.698 1.00 0.00 O ATOM 0 H GLU A 16 19.828 -1.783 1.844 1.00 0.00 H new ATOM 0 HA GLU A 16 20.492 -0.993 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.442 -3.591 3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.485 -3.364 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.245 -1.175 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.327 -2.651 3.478 1.00 0.00 H new ATOM 276 N GLN A 17 22.422 -3.451 3.453 1.00 0.00 N ATOM 277 CA GLN A 17 23.689 -4.147 3.812 1.00 0.00 C ATOM 278 C GLN A 17 24.837 -3.136 3.868 1.00 0.00 C ATOM 279 O GLN A 17 25.631 -3.132 4.788 1.00 0.00 O ATOM 280 CB GLN A 17 23.918 -5.160 2.691 1.00 0.00 C ATOM 281 CG GLN A 17 22.969 -6.347 2.872 1.00 0.00 C ATOM 282 CD GLN A 17 23.771 -7.584 3.280 1.00 0.00 C ATOM 283 OE1 GLN A 17 24.951 -7.495 3.552 1.00 0.00 O ATOM 284 NE2 GLN A 17 23.175 -8.744 3.335 1.00 0.00 N ATOM 0 H GLN A 17 22.019 -3.718 2.555 1.00 0.00 H new ATOM 0 HA GLN A 17 23.638 -4.630 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.749 -4.690 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.953 -5.503 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 17 22.223 -6.117 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.430 -6.540 1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.184 -8.819 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.701 -9.575 3.606 1.00 0.00 H new ATOM 293 N PHE A 18 24.928 -2.276 2.890 1.00 0.00 N ATOM 294 CA PHE A 18 26.024 -1.264 2.891 1.00 0.00 C ATOM 295 C PHE A 18 25.787 -0.232 3.998 1.00 0.00 C ATOM 296 O PHE A 18 26.634 -0.014 4.842 1.00 0.00 O ATOM 297 CB PHE A 18 25.960 -0.608 1.509 1.00 0.00 C ATOM 298 CG PHE A 18 26.231 -1.641 0.433 1.00 0.00 C ATOM 299 CD1 PHE A 18 26.722 -2.910 0.774 1.00 0.00 C ATOM 300 CD2 PHE A 18 25.989 -1.326 -0.910 1.00 0.00 C ATOM 301 CE1 PHE A 18 26.970 -3.858 -0.225 1.00 0.00 C ATOM 302 CE2 PHE A 18 26.237 -2.276 -1.909 1.00 0.00 C ATOM 303 CZ PHE A 18 26.728 -3.542 -1.566 1.00 0.00 C ATOM 0 H PHE A 18 24.293 -2.230 2.093 1.00 0.00 H new ATOM 0 HA PHE A 18 27.001 -1.709 3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 18 24.979 -0.159 1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.692 0.197 1.445 1.00 0.00 H new ATOM 0 HD1 PHE A 18 26.909 -3.156 1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 18 25.611 -0.350 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 18 27.349 -4.834 0.040 1.00 0.00 H new ATOM 0 HE2 PHE A 18 26.049 -2.032 -2.944 1.00 0.00 H new ATOM 0 HZ PHE A 18 26.920 -4.274 -2.337 1.00 0.00 H new ATOM 313 N ARG A 19 24.644 0.403 4.005 1.00 0.00 N ATOM 314 CA ARG A 19 24.357 1.415 5.065 1.00 0.00 C ATOM 315 C ARG A 19 24.855 0.913 6.425 1.00 0.00 C ATOM 316 O ARG A 19 25.792 1.447 6.993 1.00 0.00 O ATOM 317 CB ARG A 19 22.834 1.556 5.071 1.00 0.00 C ATOM 318 CG ARG A 19 22.433 2.742 5.949 1.00 0.00 C ATOM 319 CD ARG A 19 21.497 3.664 5.166 1.00 0.00 C ATOM 320 NE ARG A 19 21.031 4.671 6.159 1.00 0.00 N ATOM 321 CZ ARG A 19 20.627 5.845 5.758 1.00 0.00 C ATOM 322 NH1 ARG A 19 19.819 5.943 4.738 1.00 0.00 N ATOM 323 NH2 ARG A 19 21.032 6.921 6.376 1.00 0.00 N ATOM 0 H ARG A 19 23.898 0.265 3.324 1.00 0.00 H new ATOM 0 HA ARG A 19 24.855 2.366 4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 19 22.468 1.703 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.375 0.641 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.939 2.388 6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 19 23.320 3.291 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.016 4.140 4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.659 3.110 4.743 1.00 0.00 H new ATOM 0 HE ARG A 19 21.028 4.443 7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.504 5.102 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.503 6.861 4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 19 21.664 6.844 7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.716 7.839 6.062 1.00 0.00 H new ATOM 337 N GLU A 20 24.243 -0.116 6.950 1.00 0.00 N ATOM 338 CA GLU A 20 24.692 -0.650 8.265 1.00 0.00 C ATOM 339 C GLU A 20 26.212 -0.814 8.258 1.00 0.00 C ATOM 340 O GLU A 20 26.891 -0.457 9.200 1.00 0.00 O ATOM 341 CB GLU A 20 24.004 -2.007 8.405 1.00 0.00 C ATOM 342 CG GLU A 20 24.061 -2.459 9.865 1.00 0.00 C ATOM 343 CD GLU A 20 23.967 -3.985 9.932 1.00 0.00 C ATOM 344 OE1 GLU A 20 24.989 -4.629 9.760 1.00 0.00 O ATOM 345 OE2 GLU A 20 22.876 -4.482 10.155 1.00 0.00 O ATOM 0 H GLU A 20 23.456 -0.606 6.526 1.00 0.00 H new ATOM 0 HA GLU A 20 24.440 0.012 9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.968 -1.937 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 20 24.493 -2.742 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.989 -2.121 10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.244 -2.009 10.428 1.00 0.00 H new ATOM 352 N ARG A 21 26.752 -1.344 7.194 1.00 0.00 N ATOM 353 CA ARG A 21 28.229 -1.520 7.119 1.00 0.00 C ATOM 354 C ARG A 21 28.913 -0.154 7.185 1.00 0.00 C ATOM 355 O ARG A 21 29.881 0.034 7.894 1.00 0.00 O ATOM 356 CB ARG A 21 28.483 -2.186 5.767 1.00 0.00 C ATOM 357 CG ARG A 21 29.197 -3.521 5.984 1.00 0.00 C ATOM 358 CD ARG A 21 28.290 -4.462 6.779 1.00 0.00 C ATOM 359 NE ARG A 21 28.379 -5.770 6.072 1.00 0.00 N ATOM 360 CZ ARG A 21 29.267 -6.652 6.442 1.00 0.00 C ATOM 361 NH1 ARG A 21 30.474 -6.611 5.947 1.00 0.00 N ATOM 362 NH2 ARG A 21 28.947 -7.575 7.307 1.00 0.00 N ATOM 0 H ARG A 21 26.234 -1.662 6.375 1.00 0.00 H new ATOM 0 HA ARG A 21 28.622 -2.118 7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.539 -2.346 5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 21 29.089 -1.535 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 21 29.452 -3.970 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 21 30.133 -3.362 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 21 28.621 -4.549 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 21 27.264 -4.095 6.803 1.00 0.00 H new ATOM 0 HE ARG A 21 27.746 -5.976 5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 21 30.724 -5.889 5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 21 31.168 -7.301 6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 21 28.004 -7.607 7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 21 29.640 -8.265 7.597 1.00 0.00 H new ATOM 376 N ASN A 22 28.411 0.805 6.455 1.00 0.00 N ATOM 377 CA ASN A 22 29.029 2.160 6.485 1.00 0.00 C ATOM 378 C ASN A 22 29.340 2.549 7.930 1.00 0.00 C ATOM 379 O ASN A 22 30.435 2.965 8.251 1.00 0.00 O ATOM 380 CB ASN A 22 27.973 3.094 5.893 1.00 0.00 C ATOM 381 CG ASN A 22 28.554 4.502 5.758 1.00 0.00 C ATOM 382 OD1 ASN A 22 28.243 5.378 6.541 1.00 0.00 O ATOM 383 ND2 ASN A 22 29.393 4.759 4.792 1.00 0.00 N ATOM 0 H ASN A 22 27.602 0.709 5.841 1.00 0.00 H new ATOM 0 HA ASN A 22 29.964 2.206 5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.653 2.726 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 22 27.090 3.113 6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 22 29.787 5.695 4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 22 29.654 4.024 4.135 1.00 0.00 H new ATOM 390 N GLU A 23 28.384 2.407 8.808 1.00 0.00 N ATOM 391 CA GLU A 23 28.631 2.760 10.237 1.00 0.00 C ATOM 392 C GLU A 23 29.744 1.875 10.807 1.00 0.00 C ATOM 393 O GLU A 23 30.705 2.354 11.385 1.00 0.00 O ATOM 394 CB GLU A 23 27.306 2.486 10.949 1.00 0.00 C ATOM 395 CG GLU A 23 27.368 3.039 12.375 1.00 0.00 C ATOM 396 CD GLU A 23 25.950 3.192 12.927 1.00 0.00 C ATOM 397 OE1 GLU A 23 25.252 4.085 12.475 1.00 0.00 O ATOM 398 OE2 GLU A 23 25.585 2.415 13.794 1.00 0.00 O ATOM 0 H GLU A 23 27.446 2.063 8.600 1.00 0.00 H new ATOM 0 HA GLU A 23 28.949 3.795 10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 23 26.485 2.950 10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 23 27.108 1.414 10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 23 27.947 2.369 13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 23 27.877 4.003 12.381 1.00 0.00 H new ATOM 405 N ALA A 24 29.626 0.585 10.641 1.00 0.00 N ATOM 406 CA ALA A 24 30.677 -0.332 11.164 1.00 0.00 C ATOM 407 C ALA A 24 32.042 0.075 10.607 1.00 0.00 C ATOM 408 O ALA A 24 32.982 0.301 11.342 1.00 0.00 O ATOM 409 CB ALA A 24 30.282 -1.720 10.658 1.00 0.00 C ATOM 0 H ALA A 24 28.848 0.128 10.166 1.00 0.00 H new ATOM 0 HA ALA A 24 30.751 -0.305 12.251 1.00 0.00 H new ATOM 0 HB1 ALA A 24 31.010 -2.454 11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 24 29.295 -1.980 11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 24 30.258 -1.717 9.568 1.00 0.00 H new ATOM 415 N LEU A 25 32.154 0.180 9.310 1.00 0.00 N ATOM 416 CA LEU A 25 33.456 0.584 8.708 1.00 0.00 C ATOM 417 C LEU A 25 33.953 1.869 9.371 1.00 0.00 C ATOM 418 O LEU A 25 35.109 1.990 9.725 1.00 0.00 O ATOM 419 CB LEU A 25 33.154 0.823 7.229 1.00 0.00 C ATOM 420 CG LEU A 25 33.454 -0.450 6.436 1.00 0.00 C ATOM 421 CD1 LEU A 25 34.899 -0.882 6.689 1.00 0.00 C ATOM 422 CD2 LEU A 25 32.504 -1.564 6.882 1.00 0.00 C ATOM 0 H LEU A 25 31.402 0.004 8.644 1.00 0.00 H new ATOM 0 HA LEU A 25 34.231 -0.170 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 25 32.109 1.106 7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 25 33.757 1.649 6.853 1.00 0.00 H new ATOM 0 HG LEU A 25 33.314 -0.256 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 25 35.112 -1.789 6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 25 35.577 -0.089 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 25 35.040 -1.076 7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 25 32.717 -2.472 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 25 32.644 -1.757 7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 25 31.474 -1.258 6.701 1.00 0.00 H new ATOM 434 N GLU A 26 33.086 2.827 9.551 1.00 0.00 N ATOM 435 CA GLU A 26 33.511 4.098 10.201 1.00 0.00 C ATOM 436 C GLU A 26 34.346 3.781 11.442 1.00 0.00 C ATOM 437 O GLU A 26 35.460 4.244 11.590 1.00 0.00 O ATOM 438 CB GLU A 26 32.211 4.801 10.592 1.00 0.00 C ATOM 439 CG GLU A 26 32.515 6.241 11.009 1.00 0.00 C ATOM 440 CD GLU A 26 31.351 7.147 10.604 1.00 0.00 C ATOM 441 OE1 GLU A 26 30.861 6.990 9.498 1.00 0.00 O ATOM 442 OE2 GLU A 26 30.968 7.982 11.407 1.00 0.00 O ATOM 0 H GLU A 26 32.104 2.785 9.277 1.00 0.00 H new ATOM 0 HA GLU A 26 34.122 4.720 9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 26 31.515 4.793 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 26 31.729 4.268 11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 26 32.672 6.293 12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 26 33.436 6.581 10.536 1.00 0.00 H new ATOM 449 N LEU A 27 33.818 2.986 12.333 1.00 0.00 N ATOM 450 CA LEU A 27 34.588 2.634 13.561 1.00 0.00 C ATOM 451 C LEU A 27 35.768 1.729 13.195 1.00 0.00 C ATOM 452 O LEU A 27 36.848 1.850 13.738 1.00 0.00 O ATOM 453 CB LEU A 27 33.597 1.891 14.457 1.00 0.00 C ATOM 454 CG LEU A 27 33.393 2.678 15.752 1.00 0.00 C ATOM 455 CD1 LEU A 27 34.746 2.919 16.423 1.00 0.00 C ATOM 456 CD2 LEU A 27 32.738 4.024 15.432 1.00 0.00 C ATOM 0 H LEU A 27 32.891 2.566 12.265 1.00 0.00 H new ATOM 0 HA LEU A 27 34.999 3.512 14.058 1.00 0.00 H new ATOM 0 HB2 LEU A 27 32.645 1.767 13.940 1.00 0.00 H new ATOM 0 HB3 LEU A 27 33.971 0.892 14.681 1.00 0.00 H new ATOM 0 HG LEU A 27 32.750 2.109 16.424 1.00 0.00 H new ATOM 0 HD11 LEU A 27 34.600 3.480 17.346 1.00 0.00 H new ATOM 0 HD12 LEU A 27 35.215 1.962 16.651 1.00 0.00 H new ATOM 0 HD13 LEU A 27 35.389 3.487 15.751 1.00 0.00 H new ATOM 0 HD21 LEU A 27 32.592 4.586 16.354 1.00 0.00 H new ATOM 0 HD22 LEU A 27 33.382 4.591 14.760 1.00 0.00 H new ATOM 0 HD23 LEU A 27 31.773 3.855 14.954 1.00 0.00 H new ATOM 468 N LYS A 28 35.570 0.825 12.273 1.00 0.00 N ATOM 469 CA LYS A 28 36.681 -0.084 11.867 1.00 0.00 C ATOM 470 C LYS A 28 37.956 0.729 11.619 1.00 0.00 C ATOM 471 O LYS A 28 38.988 0.478 12.209 1.00 0.00 O ATOM 472 CB LYS A 28 36.194 -0.746 10.573 1.00 0.00 C ATOM 473 CG LYS A 28 37.387 -1.284 9.777 1.00 0.00 C ATOM 474 CD LYS A 28 38.252 -2.165 10.679 1.00 0.00 C ATOM 475 CE LYS A 28 37.381 -3.246 11.324 1.00 0.00 C ATOM 476 NZ LYS A 28 38.336 -4.116 12.066 1.00 0.00 N ATOM 0 H LYS A 28 34.687 0.677 11.784 1.00 0.00 H new ATOM 0 HA LYS A 28 36.921 -0.822 12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 28 35.507 -1.559 10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 28 35.641 -0.024 9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 28 37.036 -1.858 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 28 37.978 -0.456 9.385 1.00 0.00 H new ATOM 0 HD2 LYS A 28 39.051 -2.626 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 28 38.728 -1.558 11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 28 36.641 -2.809 11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 28 36.833 -3.813 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 37.814 -4.883 12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 39.024 -4.523 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 38.838 -3.550 12.780 1.00 0.00 H new ATOM 490 N ASP A 29 37.891 1.700 10.751 1.00 0.00 N ATOM 491 CA ASP A 29 39.098 2.528 10.466 1.00 0.00 C ATOM 492 C ASP A 29 39.541 3.267 11.732 1.00 0.00 C ATOM 493 O ASP A 29 40.704 3.271 12.084 1.00 0.00 O ATOM 494 CB ASP A 29 38.652 3.522 9.394 1.00 0.00 C ATOM 495 CG ASP A 29 39.392 3.231 8.087 1.00 0.00 C ATOM 496 OD1 ASP A 29 39.378 2.087 7.664 1.00 0.00 O ATOM 497 OD2 ASP A 29 39.959 4.157 7.532 1.00 0.00 O ATOM 0 H ASP A 29 37.055 1.957 10.226 1.00 0.00 H new ATOM 0 HA ASP A 29 39.944 1.926 10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 29 37.576 3.447 9.239 1.00 0.00 H new ATOM 0 HB3 ASP A 29 38.857 4.541 9.721 1.00 0.00 H new ATOM 502 N ALA A 30 38.623 3.893 12.416 1.00 0.00 N ATOM 503 CA ALA A 30 38.993 4.632 13.658 1.00 0.00 C ATOM 504 C ALA A 30 39.773 3.717 14.609 1.00 0.00 C ATOM 505 O ALA A 30 40.563 4.172 15.412 1.00 0.00 O ATOM 506 CB ALA A 30 37.661 5.045 14.284 1.00 0.00 C ATOM 0 H ALA A 30 37.634 3.925 12.170 1.00 0.00 H new ATOM 0 HA ALA A 30 39.631 5.491 13.452 1.00 0.00 H new ATOM 0 HB1 ALA A 30 37.848 5.596 15.206 1.00 0.00 H new ATOM 0 HB2 ALA A 30 37.112 5.679 13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 30 37.072 4.155 14.506 1.00 0.00 H new ATOM 512 N GLN A 31 39.556 2.433 14.525 1.00 0.00 N ATOM 513 CA GLN A 31 40.286 1.494 15.427 1.00 0.00 C ATOM 514 C GLN A 31 41.569 1.000 14.754 1.00 0.00 C ATOM 515 O GLN A 31 42.661 1.231 15.234 1.00 0.00 O ATOM 516 CB GLN A 31 39.319 0.332 15.656 1.00 0.00 C ATOM 517 CG GLN A 31 38.251 0.748 16.670 1.00 0.00 C ATOM 518 CD GLN A 31 38.889 0.888 18.053 1.00 0.00 C ATOM 519 OE1 GLN A 31 39.241 -0.095 18.675 1.00 0.00 O ATOM 520 NE2 GLN A 31 39.054 2.077 18.565 1.00 0.00 N ATOM 0 H GLN A 31 38.907 1.993 13.873 1.00 0.00 H new ATOM 0 HA GLN A 31 40.582 1.969 16.362 1.00 0.00 H new ATOM 0 HB2 GLN A 31 38.850 0.045 14.715 1.00 0.00 H new ATOM 0 HB3 GLN A 31 39.862 -0.540 16.021 1.00 0.00 H new ATOM 0 HG2 GLN A 31 37.797 1.692 16.370 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.453 0.006 16.699 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.759 2.902 18.043 1.00 0.00 H new ATOM 0 HE22 GLN A 31 39.478 2.181 19.487 1.00 0.00 H new ATOM 529 N ALA A 32 41.447 0.320 13.648 1.00 0.00 N ATOM 530 CA ALA A 32 42.661 -0.189 12.948 1.00 0.00 C ATOM 531 C ALA A 32 43.088 0.788 11.848 1.00 0.00 C ATOM 532 O ALA A 32 43.354 0.399 10.728 1.00 0.00 O ATOM 533 CB ALA A 32 42.238 -1.527 12.342 1.00 0.00 C ATOM 0 H ALA A 32 40.560 0.094 13.198 1.00 0.00 H new ATOM 0 HA ALA A 32 43.510 -0.298 13.622 1.00 0.00 H new ATOM 0 HB1 ALA A 32 43.080 -1.967 11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 32 41.920 -2.202 13.137 1.00 0.00 H new ATOM 0 HB3 ALA A 32 41.412 -1.368 11.649 1.00 0.00 H new ATOM 539 N GLY A 33 43.155 2.054 12.159 1.00 0.00 N ATOM 540 CA GLY A 33 43.564 3.053 11.132 1.00 0.00 C ATOM 541 C GLY A 33 44.990 3.526 11.417 1.00 0.00 C ATOM 542 O GLY A 33 45.481 4.453 10.804 1.00 0.00 O ATOM 0 H GLY A 33 42.944 2.439 13.080 1.00 0.00 H new ATOM 0 HA2 GLY A 33 43.509 2.611 10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.880 3.901 11.142 1.00 0.00 H new ATOM 546 N LYS A 34 45.661 2.898 12.345 1.00 0.00 N ATOM 547 CA LYS A 34 47.055 3.315 12.668 1.00 0.00 C ATOM 548 C LYS A 34 48.047 2.239 12.217 1.00 0.00 C ATOM 549 O LYS A 34 48.821 2.515 11.315 1.00 0.00 O ATOM 550 CB LYS A 34 47.082 3.466 14.189 1.00 0.00 C ATOM 551 CG LYS A 34 48.471 3.927 14.631 1.00 0.00 C ATOM 552 CD LYS A 34 48.699 5.370 14.178 1.00 0.00 C ATOM 553 CE LYS A 34 49.106 6.226 15.379 1.00 0.00 C ATOM 554 NZ LYS A 34 48.152 7.369 15.377 1.00 0.00 N ATOM 555 OXT LYS A 34 48.016 1.159 12.783 1.00 0.00 O ATOM 0 H LYS A 34 45.304 2.115 12.893 1.00 0.00 H new ATOM 0 HA LYS A 34 47.337 4.239 12.162 1.00 0.00 H new ATOM 0 HB2 LYS A 34 46.329 4.188 14.507 1.00 0.00 H new ATOM 0 HB3 LYS A 34 46.834 2.517 14.664 1.00 0.00 H new ATOM 0 HG2 LYS A 34 48.561 3.857 15.715 1.00 0.00 H new ATOM 0 HG3 LYS A 34 49.234 3.276 14.205 1.00 0.00 H new ATOM 0 HD2 LYS A 34 49.476 5.404 13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 34 47.790 5.768 13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 34 49.041 5.659 16.308 1.00 0.00 H new ATOM 0 HE3 LYS A 34 50.136 6.571 15.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 48.367 8.002 16.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 48.241 7.894 14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 47.180 7.010 15.473 1.00 0.00 H new TER 569 LYS A 34 ATOM 570 N ASP B 1 10.847 12.244 -7.171 1.00 0.00 N ATOM 571 CA ASP B 1 11.076 11.375 -8.361 1.00 0.00 C ATOM 572 C ASP B 1 12.417 10.647 -8.234 1.00 0.00 C ATOM 573 O ASP B 1 13.435 11.113 -8.706 1.00 0.00 O ATOM 574 CB ASP B 1 11.097 12.332 -9.554 1.00 0.00 C ATOM 575 CG ASP B 1 9.685 12.866 -9.806 1.00 0.00 C ATOM 576 OD1 ASP B 1 8.793 12.502 -9.059 1.00 0.00 O ATOM 577 OD2 ASP B 1 9.521 13.629 -10.743 1.00 0.00 O ATOM 0 H1 ASP B 1 9.950 12.759 -7.284 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.803 11.655 -6.315 1.00 0.00 H new ATOM 0 H3 ASP B 1 11.628 12.925 -7.083 1.00 0.00 H new ATOM 0 HA ASP B 1 10.307 10.609 -8.466 1.00 0.00 H new ATOM 0 HB2 ASP B 1 11.780 13.159 -9.359 1.00 0.00 H new ATOM 0 HB3 ASP B 1 11.466 11.816 -10.441 1.00 0.00 H new ATOM 584 N GLY B 2 12.424 9.507 -7.599 1.00 0.00 N ATOM 585 CA GLY B 2 13.698 8.749 -7.442 1.00 0.00 C ATOM 586 C GLY B 2 13.491 7.604 -6.449 1.00 0.00 C ATOM 587 O GLY B 2 12.812 7.750 -5.452 1.00 0.00 O ATOM 0 H GLY B 2 11.603 9.068 -7.182 1.00 0.00 H new ATOM 0 HA2 GLY B 2 14.020 8.355 -8.406 1.00 0.00 H new ATOM 0 HA3 GLY B 2 14.487 9.413 -7.089 1.00 0.00 H new ATOM 591 N GLU B 3 14.070 6.465 -6.714 1.00 0.00 N ATOM 592 CA GLU B 3 13.903 5.311 -5.784 1.00 0.00 C ATOM 593 C GLU B 3 15.245 4.607 -5.567 1.00 0.00 C ATOM 594 O GLU B 3 15.408 3.448 -5.890 1.00 0.00 O ATOM 595 CB GLU B 3 12.916 4.378 -6.486 1.00 0.00 C ATOM 596 CG GLU B 3 11.987 3.744 -5.449 1.00 0.00 C ATOM 597 CD GLU B 3 10.611 3.505 -6.074 1.00 0.00 C ATOM 598 OE1 GLU B 3 10.424 3.897 -7.214 1.00 0.00 O ATOM 599 OE2 GLU B 3 9.768 2.935 -5.401 1.00 0.00 O ATOM 0 H GLU B 3 14.651 6.283 -7.533 1.00 0.00 H new ATOM 0 HA GLU B 3 13.545 5.620 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU B 3 12.333 4.934 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU B 3 13.456 3.602 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU B 3 12.407 2.802 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU B 3 11.895 4.396 -4.580 1.00 0.00 H new ATOM 606 N TYR B 4 16.207 5.299 -5.021 1.00 0.00 N ATOM 607 CA TYR B 4 17.537 4.668 -4.783 1.00 0.00 C ATOM 608 C TYR B 4 18.252 5.361 -3.621 1.00 0.00 C ATOM 609 O TYR B 4 17.759 6.318 -3.057 1.00 0.00 O ATOM 610 CB TYR B 4 18.310 4.871 -6.086 1.00 0.00 C ATOM 611 CG TYR B 4 18.688 6.327 -6.227 1.00 0.00 C ATOM 612 CD1 TYR B 4 17.804 7.223 -6.839 1.00 0.00 C ATOM 613 CD2 TYR B 4 19.922 6.779 -5.746 1.00 0.00 C ATOM 614 CE1 TYR B 4 18.154 8.573 -6.970 1.00 0.00 C ATOM 615 CE2 TYR B 4 20.272 8.129 -5.876 1.00 0.00 C ATOM 616 CZ TYR B 4 19.388 9.025 -6.488 1.00 0.00 C ATOM 617 OH TYR B 4 19.733 10.355 -6.617 1.00 0.00 O ATOM 0 H TYR B 4 16.130 6.273 -4.729 1.00 0.00 H new ATOM 0 HA TYR B 4 17.452 3.614 -4.519 1.00 0.00 H new ATOM 0 HB2 TYR B 4 19.206 4.250 -6.090 1.00 0.00 H new ATOM 0 HB3 TYR B 4 17.701 4.559 -6.935 1.00 0.00 H new ATOM 0 HD1 TYR B 4 16.852 6.874 -7.210 1.00 0.00 H new ATOM 0 HD2 TYR B 4 20.604 6.087 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR B 4 17.472 9.265 -7.443 1.00 0.00 H new ATOM 0 HE2 TYR B 4 21.224 8.478 -5.504 1.00 0.00 H new ATOM 0 HH TYR B 4 20.621 10.502 -6.230 1.00 0.00 H new ATOM 627 N PHE B 5 19.413 4.886 -3.259 1.00 0.00 N ATOM 628 CA PHE B 5 20.160 5.518 -2.134 1.00 0.00 C ATOM 629 C PHE B 5 21.577 5.884 -2.586 1.00 0.00 C ATOM 630 O PHE B 5 21.966 5.628 -3.708 1.00 0.00 O ATOM 631 CB PHE B 5 20.204 4.452 -1.039 1.00 0.00 C ATOM 632 CG PHE B 5 18.806 3.947 -0.772 1.00 0.00 C ATOM 633 CD1 PHE B 5 17.891 4.749 -0.078 1.00 0.00 C ATOM 634 CD2 PHE B 5 18.424 2.676 -1.219 1.00 0.00 C ATOM 635 CE1 PHE B 5 16.596 4.280 0.169 1.00 0.00 C ATOM 636 CE2 PHE B 5 17.128 2.207 -0.971 1.00 0.00 C ATOM 637 CZ PHE B 5 16.214 3.009 -0.278 1.00 0.00 C ATOM 0 H PHE B 5 19.876 4.088 -3.694 1.00 0.00 H new ATOM 0 HA PHE B 5 19.688 6.437 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE B 5 20.848 3.627 -1.345 1.00 0.00 H new ATOM 0 HB3 PHE B 5 20.632 4.869 -0.127 1.00 0.00 H new ATOM 0 HD1 PHE B 5 18.185 5.729 0.266 1.00 0.00 H new ATOM 0 HD2 PHE B 5 19.129 2.058 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE B 5 15.891 4.898 0.705 1.00 0.00 H new ATOM 0 HE2 PHE B 5 16.834 1.226 -1.315 1.00 0.00 H new ATOM 0 HZ PHE B 5 15.214 2.648 -0.088 1.00 0.00 H new ATOM 647 N THR B 6 22.350 6.482 -1.722 1.00 0.00 N ATOM 648 CA THR B 6 23.740 6.864 -2.107 1.00 0.00 C ATOM 649 C THR B 6 24.644 6.889 -0.873 1.00 0.00 C ATOM 650 O THR B 6 24.295 7.435 0.154 1.00 0.00 O ATOM 651 CB THR B 6 23.613 8.265 -2.708 1.00 0.00 C ATOM 652 OG1 THR B 6 24.909 8.817 -2.894 1.00 0.00 O ATOM 653 CG2 THR B 6 22.807 9.156 -1.761 1.00 0.00 C ATOM 0 H THR B 6 22.081 6.723 -0.768 1.00 0.00 H new ATOM 0 HA THR B 6 24.183 6.157 -2.809 1.00 0.00 H new ATOM 0 HB THR B 6 23.102 8.205 -3.669 1.00 0.00 H new ATOM 0 HG1 THR B 6 24.830 9.714 -3.281 1.00 0.00 H new ATOM 0 HG21 THR B 6 22.717 10.154 -2.189 1.00 0.00 H new ATOM 0 HG22 THR B 6 21.813 8.731 -1.619 1.00 0.00 H new ATOM 0 HG23 THR B 6 23.316 9.219 -0.799 1.00 0.00 H new ATOM 661 N LEU B 7 25.806 6.302 -0.966 1.00 0.00 N ATOM 662 CA LEU B 7 26.733 6.293 0.202 1.00 0.00 C ATOM 663 C LEU B 7 28.029 7.030 -0.146 1.00 0.00 C ATOM 664 O LEU B 7 28.600 6.838 -1.202 1.00 0.00 O ATOM 665 CB LEU B 7 27.014 4.816 0.475 1.00 0.00 C ATOM 666 CG LEU B 7 27.678 4.667 1.845 1.00 0.00 C ATOM 667 CD1 LEU B 7 26.695 5.087 2.938 1.00 0.00 C ATOM 668 CD2 LEU B 7 28.084 3.207 2.058 1.00 0.00 C ATOM 0 H LEU B 7 26.154 5.828 -1.800 1.00 0.00 H new ATOM 0 HA LEU B 7 26.306 6.794 1.071 1.00 0.00 H new ATOM 0 HB2 LEU B 7 26.085 4.247 0.446 1.00 0.00 H new ATOM 0 HB3 LEU B 7 27.662 4.409 -0.301 1.00 0.00 H new ATOM 0 HG LEU B 7 28.563 5.302 1.890 1.00 0.00 H new ATOM 0 HD11 LEU B 7 27.169 4.981 3.914 1.00 0.00 H new ATOM 0 HD12 LEU B 7 26.405 6.127 2.787 1.00 0.00 H new ATOM 0 HD13 LEU B 7 25.809 4.453 2.894 1.00 0.00 H new ATOM 0 HD21 LEU B 7 28.557 3.100 3.034 1.00 0.00 H new ATOM 0 HD22 LEU B 7 27.199 2.573 2.012 1.00 0.00 H new ATOM 0 HD23 LEU B 7 28.786 2.907 1.280 1.00 0.00 H new ATOM 680 N GLN B 8 28.498 7.872 0.734 1.00 0.00 N ATOM 681 CA GLN B 8 29.757 8.620 0.452 1.00 0.00 C ATOM 682 C GLN B 8 30.817 8.286 1.506 1.00 0.00 C ATOM 683 O GLN B 8 30.657 8.576 2.675 1.00 0.00 O ATOM 684 CB GLN B 8 29.368 10.096 0.532 1.00 0.00 C ATOM 685 CG GLN B 8 28.066 10.324 -0.239 1.00 0.00 C ATOM 686 CD GLN B 8 28.304 11.345 -1.353 1.00 0.00 C ATOM 687 OE1 GLN B 8 27.531 12.267 -1.523 1.00 0.00 O ATOM 688 NE2 GLN B 8 29.349 11.219 -2.124 1.00 0.00 N ATOM 0 H GLN B 8 28.065 8.074 1.635 1.00 0.00 H new ATOM 0 HA GLN B 8 30.182 8.363 -0.518 1.00 0.00 H new ATOM 0 HB2 GLN B 8 29.243 10.394 1.573 1.00 0.00 H new ATOM 0 HB3 GLN B 8 30.163 10.715 0.116 1.00 0.00 H new ATOM 0 HG2 GLN B 8 27.712 9.384 -0.662 1.00 0.00 H new ATOM 0 HG3 GLN B 8 27.289 10.682 0.437 1.00 0.00 H new ATOM 0 HE21 GLN B 8 29.998 10.445 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN B 8 29.517 11.895 -2.870 1.00 0.00 H new ATOM 697 N ILE B 9 31.898 7.676 1.101 1.00 0.00 N ATOM 698 CA ILE B 9 32.966 7.324 2.080 1.00 0.00 C ATOM 699 C ILE B 9 34.275 8.026 1.710 1.00 0.00 C ATOM 700 O ILE B 9 34.732 7.956 0.587 1.00 0.00 O ATOM 701 CB ILE B 9 33.120 5.808 1.968 1.00 0.00 C ATOM 702 CG1 ILE B 9 31.812 5.132 2.387 1.00 0.00 C ATOM 703 CG2 ILE B 9 34.251 5.338 2.884 1.00 0.00 C ATOM 704 CD1 ILE B 9 31.104 4.577 1.150 1.00 0.00 C ATOM 0 H ILE B 9 32.088 7.406 0.136 1.00 0.00 H new ATOM 0 HA ILE B 9 32.716 7.635 3.094 1.00 0.00 H new ATOM 0 HB ILE B 9 33.355 5.543 0.937 1.00 0.00 H new ATOM 0 HG12 ILE B 9 32.016 4.327 3.093 1.00 0.00 H new ATOM 0 HG13 ILE B 9 31.168 5.848 2.897 1.00 0.00 H new ATOM 0 HG21 ILE B 9 34.359 4.256 2.803 1.00 0.00 H new ATOM 0 HG22 ILE B 9 35.183 5.819 2.588 1.00 0.00 H new ATOM 0 HG23 ILE B 9 34.018 5.603 3.915 1.00 0.00 H new ATOM 0 HD11 ILE B 9 30.173 4.096 1.449 1.00 0.00 H new ATOM 0 HD12 ILE B 9 30.886 5.392 0.459 1.00 0.00 H new ATOM 0 HD13 ILE B 9 31.748 3.847 0.659 1.00 0.00 H new ATOM 716 N ARG B 10 34.881 8.704 2.647 1.00 0.00 N ATOM 717 CA ARG B 10 36.159 9.410 2.347 1.00 0.00 C ATOM 718 C ARG B 10 37.352 8.536 2.742 1.00 0.00 C ATOM 719 O ARG B 10 38.331 9.012 3.281 1.00 0.00 O ATOM 720 CB ARG B 10 36.119 10.679 3.200 1.00 0.00 C ATOM 721 CG ARG B 10 36.274 10.306 4.676 1.00 0.00 C ATOM 722 CD ARG B 10 37.503 11.010 5.256 1.00 0.00 C ATOM 723 NE ARG B 10 36.968 11.906 6.318 1.00 0.00 N ATOM 724 CZ ARG B 10 37.760 12.354 7.253 1.00 0.00 C ATOM 725 NH1 ARG B 10 38.271 11.529 8.126 1.00 0.00 N ATOM 726 NH2 ARG B 10 38.041 13.627 7.315 1.00 0.00 N ATOM 0 H ARG B 10 34.547 8.799 3.606 1.00 0.00 H new ATOM 0 HA ARG B 10 36.268 9.634 1.286 1.00 0.00 H new ATOM 0 HB2 ARG B 10 36.917 11.357 2.899 1.00 0.00 H new ATOM 0 HB3 ARG B 10 35.178 11.206 3.044 1.00 0.00 H new ATOM 0 HG2 ARG B 10 35.381 10.595 5.230 1.00 0.00 H new ATOM 0 HG3 ARG B 10 36.378 9.226 4.780 1.00 0.00 H new ATOM 0 HD2 ARG B 10 38.213 10.291 5.666 1.00 0.00 H new ATOM 0 HD3 ARG B 10 38.031 11.578 4.490 1.00 0.00 H new ATOM 0 HE ARG B 10 35.983 12.169 6.315 1.00 0.00 H new ATOM 0 HH11 ARG B 10 38.051 10.534 8.077 1.00 0.00 H new ATOM 0 HH12 ARG B 10 38.890 11.879 8.857 1.00 0.00 H new ATOM 0 HH21 ARG B 10 37.641 14.271 6.633 1.00 0.00 H new ATOM 0 HH22 ARG B 10 38.660 13.978 8.046 1.00 0.00 H new ATOM 740 N GLY B 11 37.278 7.260 2.477 1.00 0.00 N ATOM 741 CA GLY B 11 38.408 6.358 2.838 1.00 0.00 C ATOM 742 C GLY B 11 38.355 5.097 1.974 1.00 0.00 C ATOM 743 O GLY B 11 37.361 4.399 1.939 1.00 0.00 O ATOM 0 H GLY B 11 36.485 6.804 2.027 1.00 0.00 H new ATOM 0 HA2 GLY B 11 39.358 6.872 2.691 1.00 0.00 H new ATOM 0 HA3 GLY B 11 38.350 6.091 3.893 1.00 0.00 H new ATOM 747 N ARG B 12 39.416 4.800 1.275 1.00 0.00 N ATOM 748 CA ARG B 12 39.425 3.583 0.414 1.00 0.00 C ATOM 749 C ARG B 12 39.361 2.322 1.281 1.00 0.00 C ATOM 750 O ARG B 12 38.660 1.379 0.971 1.00 0.00 O ATOM 751 CB ARG B 12 40.751 3.646 -0.346 1.00 0.00 C ATOM 752 CG ARG B 12 40.777 2.555 -1.418 1.00 0.00 C ATOM 753 CD ARG B 12 41.353 3.127 -2.715 1.00 0.00 C ATOM 754 NE ARG B 12 40.300 2.889 -3.741 1.00 0.00 N ATOM 755 CZ ARG B 12 40.601 2.281 -4.856 1.00 0.00 C ATOM 756 NH1 ARG B 12 41.631 2.673 -5.555 1.00 0.00 N ATOM 757 NH2 ARG B 12 39.873 1.280 -5.271 1.00 0.00 N ATOM 0 H ARG B 12 40.277 5.347 1.263 1.00 0.00 H new ATOM 0 HA ARG B 12 38.570 3.547 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG B 12 40.872 4.626 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG B 12 41.584 3.513 0.344 1.00 0.00 H new ATOM 0 HG2 ARG B 12 41.381 1.713 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG B 12 39.770 2.176 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG B 12 41.573 4.190 -2.614 1.00 0.00 H new ATOM 0 HD3 ARG B 12 42.286 2.632 -2.985 1.00 0.00 H new ATOM 0 HE ARG B 12 39.344 3.201 -3.572 1.00 0.00 H new ATOM 0 HH11 ARG B 12 42.200 3.454 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG B 12 41.867 2.198 -6.426 1.00 0.00 H new ATOM 0 HH21 ARG B 12 39.069 0.973 -4.724 1.00 0.00 H new ATOM 0 HH22 ARG B 12 40.108 0.805 -6.142 1.00 0.00 H new ATOM 771 N GLU B 13 40.085 2.299 2.367 1.00 0.00 N ATOM 772 CA GLU B 13 40.061 1.098 3.251 1.00 0.00 C ATOM 773 C GLU B 13 38.617 0.656 3.497 1.00 0.00 C ATOM 774 O GLU B 13 38.294 -0.513 3.426 1.00 0.00 O ATOM 775 CB GLU B 13 40.713 1.554 4.556 1.00 0.00 C ATOM 776 CG GLU B 13 41.395 0.362 5.230 1.00 0.00 C ATOM 777 CD GLU B 13 42.841 0.728 5.573 1.00 0.00 C ATOM 778 OE1 GLU B 13 43.490 1.337 4.739 1.00 0.00 O ATOM 779 OE2 GLU B 13 43.273 0.392 6.663 1.00 0.00 O ATOM 0 H GLU B 13 40.691 3.058 2.680 1.00 0.00 H new ATOM 0 HA GLU B 13 40.583 0.249 2.811 1.00 0.00 H new ATOM 0 HB2 GLU B 13 41.443 2.338 4.355 1.00 0.00 H new ATOM 0 HB3 GLU B 13 39.962 1.980 5.221 1.00 0.00 H new ATOM 0 HG2 GLU B 13 40.855 0.084 6.135 1.00 0.00 H new ATOM 0 HG3 GLU B 13 41.375 -0.504 4.568 1.00 0.00 H new ATOM 786 N ARG B 14 37.745 1.583 3.782 1.00 0.00 N ATOM 787 CA ARG B 14 36.321 1.217 4.028 1.00 0.00 C ATOM 788 C ARG B 14 35.577 1.084 2.698 1.00 0.00 C ATOM 789 O ARG B 14 34.769 0.195 2.514 1.00 0.00 O ATOM 790 CB ARG B 14 35.750 2.373 4.850 1.00 0.00 C ATOM 791 CG ARG B 14 36.588 2.565 6.114 1.00 0.00 C ATOM 792 CD ARG B 14 36.714 4.059 6.420 1.00 0.00 C ATOM 793 NE ARG B 14 35.314 4.566 6.440 1.00 0.00 N ATOM 794 CZ ARG B 14 35.082 5.837 6.628 1.00 0.00 C ATOM 795 NH1 ARG B 14 36.047 6.627 7.014 1.00 0.00 N ATOM 796 NH2 ARG B 14 33.885 6.317 6.431 1.00 0.00 N ATOM 0 H ARG B 14 37.956 2.578 3.855 1.00 0.00 H new ATOM 0 HA ARG B 14 36.221 0.263 4.546 1.00 0.00 H new ATOM 0 HB2 ARG B 14 35.751 3.288 4.258 1.00 0.00 H new ATOM 0 HB3 ARG B 14 34.713 2.166 5.116 1.00 0.00 H new ATOM 0 HG2 ARG B 14 36.123 2.049 6.954 1.00 0.00 H new ATOM 0 HG3 ARG B 14 37.576 2.126 5.978 1.00 0.00 H new ATOM 0 HD2 ARG B 14 37.208 4.226 7.377 1.00 0.00 H new ATOM 0 HD3 ARG B 14 37.308 4.569 5.661 1.00 0.00 H new ATOM 0 HE ARG B 14 34.536 3.920 6.307 1.00 0.00 H new ATOM 0 HH11 ARG B 14 36.983 6.251 7.169 1.00 0.00 H new ATOM 0 HH12 ARG B 14 35.865 7.620 7.161 1.00 0.00 H new ATOM 0 HH21 ARG B 14 33.131 5.699 6.130 1.00 0.00 H new ATOM 0 HH22 ARG B 14 33.703 7.310 6.578 1.00 0.00 H new ATOM 810 N PHE B 15 35.843 1.960 1.768 1.00 0.00 N ATOM 811 CA PHE B 15 35.150 1.878 0.452 1.00 0.00 C ATOM 812 C PHE B 15 35.471 0.547 -0.229 1.00 0.00 C ATOM 813 O PHE B 15 34.588 -0.173 -0.652 1.00 0.00 O ATOM 814 CB PHE B 15 35.702 3.045 -0.367 1.00 0.00 C ATOM 815 CG PHE B 15 34.935 3.149 -1.663 1.00 0.00 C ATOM 816 CD1 PHE B 15 33.568 3.448 -1.644 1.00 0.00 C ATOM 817 CD2 PHE B 15 35.590 2.943 -2.883 1.00 0.00 C ATOM 818 CE1 PHE B 15 32.855 3.542 -2.846 1.00 0.00 C ATOM 819 CE2 PHE B 15 34.877 3.037 -4.084 1.00 0.00 C ATOM 820 CZ PHE B 15 33.510 3.336 -4.066 1.00 0.00 C ATOM 0 H PHE B 15 36.509 2.727 1.862 1.00 0.00 H new ATOM 0 HA PHE B 15 34.066 1.932 0.554 1.00 0.00 H new ATOM 0 HB2 PHE B 15 35.615 3.974 0.197 1.00 0.00 H new ATOM 0 HB3 PHE B 15 36.762 2.893 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE B 15 33.063 3.606 -0.703 1.00 0.00 H new ATOM 0 HD2 PHE B 15 36.645 2.712 -2.898 1.00 0.00 H new ATOM 0 HE1 PHE B 15 31.800 3.773 -2.832 1.00 0.00 H new ATOM 0 HE2 PHE B 15 35.382 2.879 -5.025 1.00 0.00 H new ATOM 0 HZ PHE B 15 32.961 3.408 -4.993 1.00 0.00 H new ATOM 830 N GLU B 16 36.729 0.210 -0.336 1.00 0.00 N ATOM 831 CA GLU B 16 37.098 -1.079 -0.987 1.00 0.00 C ATOM 832 C GLU B 16 36.170 -2.191 -0.494 1.00 0.00 C ATOM 833 O GLU B 16 35.773 -3.061 -1.243 1.00 0.00 O ATOM 834 CB GLU B 16 38.539 -1.348 -0.550 1.00 0.00 C ATOM 835 CG GLU B 16 39.491 -0.463 -1.357 1.00 0.00 C ATOM 836 CD GLU B 16 39.907 -1.193 -2.635 1.00 0.00 C ATOM 837 OE1 GLU B 16 39.027 -1.635 -3.355 1.00 0.00 O ATOM 838 OE2 GLU B 16 41.099 -1.299 -2.871 1.00 0.00 O ATOM 0 H GLU B 16 37.514 0.770 -0.002 1.00 0.00 H new ATOM 0 HA GLU B 16 37.007 -1.040 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU B 16 38.651 -1.145 0.515 1.00 0.00 H new ATOM 0 HB3 GLU B 16 38.786 -2.399 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU B 16 39.004 0.480 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU B 16 40.371 -0.220 -0.762 1.00 0.00 H new ATOM 845 N GLN B 17 35.814 -2.161 0.761 1.00 0.00 N ATOM 846 CA GLN B 17 34.904 -3.208 1.304 1.00 0.00 C ATOM 847 C GLN B 17 33.510 -3.053 0.692 1.00 0.00 C ATOM 848 O GLN B 17 32.879 -4.017 0.306 1.00 0.00 O ATOM 849 CB GLN B 17 34.860 -2.953 2.811 1.00 0.00 C ATOM 850 CG GLN B 17 36.150 -3.466 3.454 1.00 0.00 C ATOM 851 CD GLN B 17 35.842 -4.702 4.300 1.00 0.00 C ATOM 852 OE1 GLN B 17 34.742 -5.217 4.266 1.00 0.00 O ATOM 853 NE2 GLN B 17 36.773 -5.204 5.064 1.00 0.00 N ATOM 0 H GLN B 17 36.114 -1.456 1.434 1.00 0.00 H new ATOM 0 HA GLN B 17 35.246 -4.217 1.074 1.00 0.00 H new ATOM 0 HB2 GLN B 17 34.743 -1.887 3.007 1.00 0.00 H new ATOM 0 HB3 GLN B 17 33.998 -3.455 3.250 1.00 0.00 H new ATOM 0 HG2 GLN B 17 36.880 -3.713 2.683 1.00 0.00 H new ATOM 0 HG3 GLN B 17 36.593 -2.688 4.076 1.00 0.00 H new ATOM 0 HE21 GLN B 17 37.697 -4.772 5.093 1.00 0.00 H new ATOM 0 HE22 GLN B 17 36.577 -6.028 5.632 1.00 0.00 H new ATOM 862 N PHE B 18 33.026 -1.843 0.599 1.00 0.00 N ATOM 863 CA PHE B 18 31.674 -1.624 0.008 1.00 0.00 C ATOM 864 C PHE B 18 31.722 -1.845 -1.506 1.00 0.00 C ATOM 865 O PHE B 18 30.953 -2.609 -2.055 1.00 0.00 O ATOM 866 CB PHE B 18 31.329 -0.168 0.331 1.00 0.00 C ATOM 867 CG PHE B 18 31.250 0.029 1.831 1.00 0.00 C ATOM 868 CD1 PHE B 18 31.237 -1.078 2.693 1.00 0.00 C ATOM 869 CD2 PHE B 18 31.190 1.324 2.359 1.00 0.00 C ATOM 870 CE1 PHE B 18 31.163 -0.887 4.078 1.00 0.00 C ATOM 871 CE2 PHE B 18 31.116 1.514 3.745 1.00 0.00 C ATOM 872 CZ PHE B 18 31.103 0.409 4.604 1.00 0.00 C ATOM 0 H PHE B 18 33.508 -0.998 0.906 1.00 0.00 H new ATOM 0 HA PHE B 18 30.930 -2.313 0.407 1.00 0.00 H new ATOM 0 HB2 PHE B 18 32.084 0.495 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE B 18 30.378 0.099 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE B 18 31.284 -2.078 2.288 1.00 0.00 H new ATOM 0 HD2 PHE B 18 31.201 2.177 1.697 1.00 0.00 H new ATOM 0 HE1 PHE B 18 31.152 -1.740 4.741 1.00 0.00 H new ATOM 0 HE2 PHE B 18 31.069 2.514 4.151 1.00 0.00 H new ATOM 0 HZ PHE B 18 31.047 0.556 5.672 1.00 0.00 H new ATOM 882 N ARG B 19 32.622 -1.184 -2.185 1.00 0.00 N ATOM 883 CA ARG B 19 32.718 -1.363 -3.662 1.00 0.00 C ATOM 884 C ARG B 19 32.595 -2.846 -4.016 1.00 0.00 C ATOM 885 O ARG B 19 31.624 -3.274 -4.608 1.00 0.00 O ATOM 886 CB ARG B 19 34.103 -0.834 -4.038 1.00 0.00 C ATOM 887 CG ARG B 19 34.224 -0.757 -5.561 1.00 0.00 C ATOM 888 CD ARG B 19 34.700 0.640 -5.966 1.00 0.00 C ATOM 889 NE ARG B 19 34.955 0.549 -7.431 1.00 0.00 N ATOM 890 CZ ARG B 19 34.907 1.624 -8.170 1.00 0.00 C ATOM 891 NH1 ARG B 19 35.491 2.720 -7.768 1.00 0.00 N ATOM 892 NH2 ARG B 19 34.275 1.604 -9.311 1.00 0.00 N ATOM 0 H ARG B 19 33.293 -0.530 -1.781 1.00 0.00 H new ATOM 0 HA ARG B 19 31.926 -0.839 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG B 19 34.259 0.152 -3.600 1.00 0.00 H new ATOM 0 HB3 ARG B 19 34.876 -1.488 -3.634 1.00 0.00 H new ATOM 0 HG2 ARG B 19 34.926 -1.510 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG B 19 33.261 -0.973 -6.024 1.00 0.00 H new ATOM 0 HD2 ARG B 19 33.946 1.394 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG B 19 35.603 0.922 -5.425 1.00 0.00 H new ATOM 0 HE ARG B 19 35.167 -0.353 -7.857 1.00 0.00 H new ATOM 0 HH11 ARG B 19 35.985 2.737 -6.876 1.00 0.00 H new ATOM 0 HH12 ARG B 19 35.453 3.560 -8.346 1.00 0.00 H new ATOM 0 HH21 ARG B 19 33.818 0.748 -9.626 1.00 0.00 H new ATOM 0 HH22 ARG B 19 34.238 2.444 -9.888 1.00 0.00 H new ATOM 906 N GLU B 20 33.566 -3.637 -3.650 1.00 0.00 N ATOM 907 CA GLU B 20 33.493 -5.092 -3.961 1.00 0.00 C ATOM 908 C GLU B 20 32.116 -5.632 -3.571 1.00 0.00 C ATOM 909 O GLU B 20 31.498 -6.376 -4.306 1.00 0.00 O ATOM 910 CB GLU B 20 34.586 -5.738 -3.108 1.00 0.00 C ATOM 911 CG GLU B 20 34.876 -7.146 -3.630 1.00 0.00 C ATOM 912 CD GLU B 20 35.454 -8.001 -2.501 1.00 0.00 C ATOM 913 OE1 GLU B 20 34.674 -8.520 -1.720 1.00 0.00 O ATOM 914 OE2 GLU B 20 36.666 -8.121 -2.436 1.00 0.00 O ATOM 0 H GLU B 20 34.404 -3.340 -3.151 1.00 0.00 H new ATOM 0 HA GLU B 20 33.635 -5.301 -5.021 1.00 0.00 H new ATOM 0 HB2 GLU B 20 35.492 -5.133 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU B 20 34.270 -5.783 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU B 20 33.961 -7.599 -4.012 1.00 0.00 H new ATOM 0 HG3 GLU B 20 35.579 -7.099 -4.461 1.00 0.00 H new ATOM 921 N ARG B 21 31.627 -5.252 -2.422 1.00 0.00 N ATOM 922 CA ARG B 21 30.285 -5.733 -1.989 1.00 0.00 C ATOM 923 C ARG B 21 29.219 -5.246 -2.973 1.00 0.00 C ATOM 924 O ARG B 21 28.349 -5.990 -3.379 1.00 0.00 O ATOM 925 CB ARG B 21 30.067 -5.112 -0.608 1.00 0.00 C ATOM 926 CG ARG B 21 29.849 -6.222 0.423 1.00 0.00 C ATOM 927 CD ARG B 21 31.109 -7.085 0.519 1.00 0.00 C ATOM 928 NE ARG B 21 31.336 -7.272 1.979 1.00 0.00 N ATOM 929 CZ ARG B 21 30.833 -8.310 2.589 1.00 0.00 C ATOM 930 NH1 ARG B 21 29.619 -8.263 3.065 1.00 0.00 N ATOM 931 NH2 ARG B 21 31.545 -9.396 2.724 1.00 0.00 N ATOM 0 H ARG B 21 32.098 -4.630 -1.765 1.00 0.00 H new ATOM 0 HA ARG B 21 30.221 -6.821 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG B 21 30.930 -4.507 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG B 21 29.204 -4.446 -0.629 1.00 0.00 H new ATOM 0 HG2 ARG B 21 29.617 -5.789 1.396 1.00 0.00 H new ATOM 0 HG3 ARG B 21 28.996 -6.837 0.136 1.00 0.00 H new ATOM 0 HD2 ARG B 21 30.972 -8.042 0.015 1.00 0.00 H new ATOM 0 HD3 ARG B 21 31.960 -6.595 0.047 1.00 0.00 H new ATOM 0 HE ARG B 21 31.884 -6.589 2.502 1.00 0.00 H new ATOM 0 HH11 ARG B 21 29.063 -7.415 2.960 1.00 0.00 H new ATOM 0 HH12 ARG B 21 29.226 -9.075 3.542 1.00 0.00 H new ATOM 0 HH21 ARG B 21 32.494 -9.433 2.353 1.00 0.00 H new ATOM 0 HH22 ARG B 21 31.152 -10.208 3.201 1.00 0.00 H new ATOM 945 N ASN B 22 29.287 -4.003 -3.368 1.00 0.00 N ATOM 946 CA ASN B 22 28.282 -3.474 -4.334 1.00 0.00 C ATOM 947 C ASN B 22 28.069 -4.485 -5.461 1.00 0.00 C ATOM 948 O ASN B 22 26.953 -4.832 -5.795 1.00 0.00 O ATOM 949 CB ASN B 22 28.895 -2.183 -4.878 1.00 0.00 C ATOM 950 CG ASN B 22 27.885 -1.482 -5.789 1.00 0.00 C ATOM 951 OD1 ASN B 22 28.010 -1.520 -6.997 1.00 0.00 O ATOM 952 ND2 ASN B 22 26.882 -0.838 -5.257 1.00 0.00 N ATOM 0 H ASN B 22 29.993 -3.333 -3.064 1.00 0.00 H new ATOM 0 HA ASN B 22 27.311 -3.296 -3.872 1.00 0.00 H new ATOM 0 HB2 ASN B 22 29.175 -1.526 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN B 22 29.807 -2.406 -5.432 1.00 0.00 H new ATOM 0 HD21 ASN B 22 26.203 -0.367 -5.855 1.00 0.00 H new ATOM 0 HD22 ASN B 22 26.777 -0.806 -4.243 1.00 0.00 H new ATOM 959 N GLU B 23 29.132 -4.968 -6.043 1.00 0.00 N ATOM 960 CA GLU B 23 28.991 -5.966 -7.141 1.00 0.00 C ATOM 961 C GLU B 23 28.312 -7.228 -6.605 1.00 0.00 C ATOM 962 O GLU B 23 27.346 -7.710 -7.163 1.00 0.00 O ATOM 963 CB GLU B 23 30.421 -6.272 -7.588 1.00 0.00 C ATOM 964 CG GLU B 23 30.387 -7.109 -8.868 1.00 0.00 C ATOM 965 CD GLU B 23 31.748 -7.035 -9.564 1.00 0.00 C ATOM 966 OE1 GLU B 23 32.059 -5.985 -10.103 1.00 0.00 O ATOM 967 OE2 GLU B 23 32.456 -8.028 -9.545 1.00 0.00 O ATOM 0 H GLU B 23 30.091 -4.715 -5.806 1.00 0.00 H new ATOM 0 HA GLU B 23 28.382 -5.597 -7.966 1.00 0.00 H new ATOM 0 HB2 GLU B 23 30.965 -5.344 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU B 23 30.952 -6.810 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU B 23 30.144 -8.145 -8.631 1.00 0.00 H new ATOM 0 HG3 GLU B 23 29.606 -6.742 -9.534 1.00 0.00 H new ATOM 974 N ALA B 24 28.806 -7.762 -5.521 1.00 0.00 N ATOM 975 CA ALA B 24 28.182 -8.986 -4.945 1.00 0.00 C ATOM 976 C ALA B 24 26.694 -8.738 -4.691 1.00 0.00 C ATOM 977 O ALA B 24 25.844 -9.471 -5.155 1.00 0.00 O ATOM 978 CB ALA B 24 28.919 -9.226 -3.627 1.00 0.00 C ATOM 0 H ALA B 24 29.613 -7.404 -5.011 1.00 0.00 H new ATOM 0 HA ALA B 24 28.257 -9.845 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA B 24 28.515 -10.114 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA B 24 29.981 -9.372 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA B 24 28.787 -8.363 -2.974 1.00 0.00 H new ATOM 984 N LEU B 25 26.374 -7.702 -3.964 1.00 0.00 N ATOM 985 CA LEU B 25 24.941 -7.400 -3.689 1.00 0.00 C ATOM 986 C LEU B 25 24.158 -7.366 -5.003 1.00 0.00 C ATOM 987 O LEU B 25 23.078 -7.913 -5.109 1.00 0.00 O ATOM 988 CB LEU B 25 24.944 -6.021 -3.029 1.00 0.00 C ATOM 989 CG LEU B 25 24.948 -6.181 -1.509 1.00 0.00 C ATOM 990 CD1 LEU B 25 23.761 -7.048 -1.083 1.00 0.00 C ATOM 991 CD2 LEU B 25 26.251 -6.853 -1.071 1.00 0.00 C ATOM 0 H LEU B 25 27.042 -7.053 -3.549 1.00 0.00 H new ATOM 0 HA LEU B 25 24.471 -8.150 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU B 25 25.820 -5.456 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU B 25 24.067 -5.454 -3.343 1.00 0.00 H new ATOM 0 HG LEU B 25 24.868 -5.200 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU B 25 23.764 -7.162 0.001 1.00 0.00 H new ATOM 0 HD12 LEU B 25 22.832 -6.571 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU B 25 23.841 -8.029 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU B 25 26.255 -6.968 0.013 1.00 0.00 H new ATOM 0 HD22 LEU B 25 26.330 -7.834 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU B 25 27.098 -6.237 -1.374 1.00 0.00 H new ATOM 1003 N GLU B 26 24.697 -6.734 -6.009 1.00 0.00 N ATOM 1004 CA GLU B 26 23.985 -6.674 -7.316 1.00 0.00 C ATOM 1005 C GLU B 26 23.469 -8.066 -7.686 1.00 0.00 C ATOM 1006 O GLU B 26 22.300 -8.253 -7.961 1.00 0.00 O ATOM 1007 CB GLU B 26 25.038 -6.206 -8.321 1.00 0.00 C ATOM 1008 CG GLU B 26 24.356 -5.833 -9.639 1.00 0.00 C ATOM 1009 CD GLU B 26 25.109 -4.674 -10.294 1.00 0.00 C ATOM 1010 OE1 GLU B 26 25.474 -3.753 -9.582 1.00 0.00 O ATOM 1011 OE2 GLU B 26 25.310 -4.727 -11.496 1.00 0.00 O ATOM 0 H GLU B 26 25.598 -6.257 -5.982 1.00 0.00 H new ATOM 0 HA GLU B 26 23.124 -6.006 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU B 26 25.579 -5.347 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU B 26 25.771 -6.995 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU B 26 24.339 -6.693 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU B 26 23.319 -5.550 -9.457 1.00 0.00 H new ATOM 1018 N LEU B 27 24.332 -9.044 -7.685 1.00 0.00 N ATOM 1019 CA LEU B 27 23.891 -10.426 -8.027 1.00 0.00 C ATOM 1020 C LEU B 27 23.022 -10.987 -6.899 1.00 0.00 C ATOM 1021 O LEU B 27 22.048 -11.675 -7.134 1.00 0.00 O ATOM 1022 CB LEU B 27 25.183 -11.232 -8.162 1.00 0.00 C ATOM 1023 CG LEU B 27 25.311 -11.753 -9.594 1.00 0.00 C ATOM 1024 CD1 LEU B 27 24.058 -12.549 -9.961 1.00 0.00 C ATOM 1025 CD2 LEU B 27 25.462 -10.570 -10.554 1.00 0.00 C ATOM 0 H LEU B 27 25.323 -8.946 -7.462 1.00 0.00 H new ATOM 0 HA LEU B 27 23.296 -10.461 -8.939 1.00 0.00 H new ATOM 0 HB2 LEU B 27 26.041 -10.608 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU B 27 25.180 -12.065 -7.459 1.00 0.00 H new ATOM 0 HG LEU B 27 26.186 -12.398 -9.669 1.00 0.00 H new ATOM 0 HD11 LEU B 27 24.149 -12.920 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU B 27 23.948 -13.391 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU B 27 23.182 -11.904 -9.886 1.00 0.00 H new ATOM 0 HD21 LEU B 27 25.553 -10.940 -11.575 1.00 0.00 H new ATOM 0 HD22 LEU B 27 24.586 -9.926 -10.478 1.00 0.00 H new ATOM 0 HD23 LEU B 27 26.354 -10.001 -10.293 1.00 0.00 H new ATOM 1037 N LYS B 28 23.365 -10.692 -5.674 1.00 0.00 N ATOM 1038 CA LYS B 28 22.558 -11.200 -4.528 1.00 0.00 C ATOM 1039 C LYS B 28 21.070 -10.945 -4.787 1.00 0.00 C ATOM 1040 O LYS B 28 20.261 -11.852 -4.761 1.00 0.00 O ATOM 1041 CB LYS B 28 23.051 -10.397 -3.319 1.00 0.00 C ATOM 1042 CG LYS B 28 21.997 -10.423 -2.208 1.00 0.00 C ATOM 1043 CD LYS B 28 21.581 -11.869 -1.931 1.00 0.00 C ATOM 1044 CE LYS B 28 22.825 -12.709 -1.634 1.00 0.00 C ATOM 1045 NZ LYS B 28 22.301 -14.047 -1.243 1.00 0.00 N ATOM 0 H LYS B 28 24.170 -10.121 -5.417 1.00 0.00 H new ATOM 0 HA LYS B 28 22.671 -12.273 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS B 28 23.988 -10.815 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS B 28 23.255 -9.368 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS B 28 22.398 -9.969 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS B 28 21.129 -9.834 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS B 28 20.894 -11.906 -1.086 1.00 0.00 H new ATOM 0 HD3 LYS B 28 21.050 -12.277 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS B 28 23.472 -12.779 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS B 28 23.418 -12.267 -0.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 23.096 -14.681 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 21.694 -13.950 -0.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 21.747 -14.446 -2.028 1.00 0.00 H new ATOM 1059 N ASP B 29 20.705 -9.718 -5.038 1.00 0.00 N ATOM 1060 CA ASP B 29 19.271 -9.405 -5.300 1.00 0.00 C ATOM 1061 C ASP B 29 18.796 -10.126 -6.565 1.00 0.00 C ATOM 1062 O ASP B 29 17.750 -10.744 -6.583 1.00 0.00 O ATOM 1063 CB ASP B 29 19.228 -7.889 -5.501 1.00 0.00 C ATOM 1064 CG ASP B 29 18.441 -7.244 -4.359 1.00 0.00 C ATOM 1065 OD1 ASP B 29 18.751 -7.531 -3.215 1.00 0.00 O ATOM 1066 OD2 ASP B 29 17.540 -6.473 -4.649 1.00 0.00 O ATOM 0 H ASP B 29 21.337 -8.918 -5.073 1.00 0.00 H new ATOM 0 HA ASP B 29 18.622 -9.728 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP B 29 20.241 -7.487 -5.531 1.00 0.00 H new ATOM 0 HB3 ASP B 29 18.762 -7.652 -6.457 1.00 0.00 H new ATOM 1071 N ALA B 30 19.557 -10.050 -7.622 1.00 0.00 N ATOM 1072 CA ALA B 30 19.150 -10.731 -8.885 1.00 0.00 C ATOM 1073 C ALA B 30 18.841 -12.207 -8.618 1.00 0.00 C ATOM 1074 O ALA B 30 18.069 -12.826 -9.322 1.00 0.00 O ATOM 1075 CB ALA B 30 20.357 -10.596 -9.814 1.00 0.00 C ATOM 0 H ALA B 30 20.443 -9.546 -7.666 1.00 0.00 H new ATOM 0 HA ALA B 30 18.250 -10.293 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA B 30 20.137 -11.074 -10.769 1.00 0.00 H new ATOM 0 HB2 ALA B 30 20.574 -9.540 -9.978 1.00 0.00 H new ATOM 0 HB3 ALA B 30 21.222 -11.077 -9.358 1.00 0.00 H new ATOM 1081 N GLN B 31 19.440 -12.775 -7.607 1.00 0.00 N ATOM 1082 CA GLN B 31 19.180 -14.211 -7.300 1.00 0.00 C ATOM 1083 C GLN B 31 18.036 -14.339 -6.290 1.00 0.00 C ATOM 1084 O GLN B 31 17.007 -14.919 -6.574 1.00 0.00 O ATOM 1085 CB GLN B 31 20.486 -14.731 -6.700 1.00 0.00 C ATOM 1086 CG GLN B 31 21.498 -14.983 -7.819 1.00 0.00 C ATOM 1087 CD GLN B 31 21.044 -16.177 -8.661 1.00 0.00 C ATOM 1088 OE1 GLN B 31 21.106 -17.306 -8.217 1.00 0.00 O ATOM 1089 NE2 GLN B 31 20.586 -15.973 -9.866 1.00 0.00 N ATOM 0 H GLN B 31 20.097 -12.308 -6.981 1.00 0.00 H new ATOM 0 HA GLN B 31 18.885 -14.775 -8.185 1.00 0.00 H new ATOM 0 HB2 GLN B 31 20.886 -14.007 -5.990 1.00 0.00 H new ATOM 0 HB3 GLN B 31 20.303 -15.652 -6.147 1.00 0.00 H new ATOM 0 HG2 GLN B 31 21.590 -14.096 -8.446 1.00 0.00 H new ATOM 0 HG3 GLN B 31 22.483 -15.177 -7.395 1.00 0.00 H new ATOM 0 HE21 GLN B 31 20.534 -15.025 -10.238 1.00 0.00 H new ATOM 0 HE22 GLN B 31 20.280 -16.762 -10.436 1.00 0.00 H new ATOM 1098 N ALA B 32 18.208 -13.802 -5.113 1.00 0.00 N ATOM 1099 CA ALA B 32 17.130 -13.895 -4.087 1.00 0.00 C ATOM 1100 C ALA B 32 16.269 -12.629 -4.108 1.00 0.00 C ATOM 1101 O ALA B 32 15.985 -12.043 -3.082 1.00 0.00 O ATOM 1102 CB ALA B 32 17.864 -14.022 -2.753 1.00 0.00 C ATOM 0 H ALA B 32 19.047 -13.303 -4.817 1.00 0.00 H new ATOM 0 HA ALA B 32 16.461 -14.737 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA B 32 17.138 -14.096 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA B 32 18.487 -14.916 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA B 32 18.492 -13.145 -2.598 1.00 0.00 H new ATOM 1108 N GLY B 33 15.851 -12.203 -5.268 1.00 0.00 N ATOM 1109 CA GLY B 33 15.009 -10.977 -5.351 1.00 0.00 C ATOM 1110 C GLY B 33 13.561 -11.370 -5.651 1.00 0.00 C ATOM 1111 O GLY B 33 12.722 -10.531 -5.913 1.00 0.00 O ATOM 0 H GLY B 33 16.056 -12.651 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY B 33 15.060 -10.424 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY B 33 15.387 -10.316 -6.131 1.00 0.00 H new ATOM 1115 N LYS B 34 13.260 -12.639 -5.613 1.00 0.00 N ATOM 1116 CA LYS B 34 11.864 -13.083 -5.896 1.00 0.00 C ATOM 1117 C LYS B 34 11.209 -13.613 -4.618 1.00 0.00 C ATOM 1118 O LYS B 34 10.272 -12.986 -4.151 1.00 0.00 O ATOM 1119 CB LYS B 34 12.005 -14.200 -6.930 1.00 0.00 C ATOM 1120 CG LYS B 34 10.616 -14.709 -7.320 1.00 0.00 C ATOM 1121 CD LYS B 34 9.887 -13.634 -8.128 1.00 0.00 C ATOM 1122 CE LYS B 34 9.405 -14.230 -9.452 1.00 0.00 C ATOM 1123 NZ LYS B 34 9.946 -13.322 -10.502 1.00 0.00 N ATOM 1124 OXT LYS B 34 11.654 -14.639 -4.129 1.00 0.00 O ATOM 0 H LYS B 34 13.919 -13.388 -5.399 1.00 0.00 H new ATOM 0 HA LYS B 34 11.237 -12.269 -6.260 1.00 0.00 H new ATOM 0 HB2 LYS B 34 12.530 -13.831 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS B 34 12.602 -15.015 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS B 34 10.704 -15.623 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS B 34 10.044 -14.958 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS B 34 9.040 -13.249 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS B 34 10.553 -12.792 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS B 34 9.771 -15.248 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS B 34 8.317 -14.275 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 9.657 -13.665 -11.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 9.575 -12.362 -10.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 10.984 -13.304 -10.444 1.00 0.00 H new TER 1138 LYS B 34