USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 511 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 7 THR OG1 : rot 160:sc= -0.226 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 2 GLN : amide:sc= -2.57! C(o=-2.6!,f=-1.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= -1.24 (180deg=-1.27) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.864 USER MOD Single : A 20 SER OG : rot 180:sc= 0.131 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 25 ASN : amide:sc= -0.593 X(o=-0.59,f=-0.57) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.6! C(o=-2.6!,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0121 (180deg=-0.235) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= -7.03! C(o=-7!,f=-10!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.95 K(o=-2,f=-0.067) USER MOD Single : A 62 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.065) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -0.117 (180deg=-0.731) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.72! C(o=-1.7!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 52.679 -9.885 2.085 1.00 0.00 N ATOM 21 CA GLN A 2 53.444 -8.647 2.190 1.00 0.00 C ATOM 22 C GLN A 2 54.757 -8.890 2.922 1.00 0.00 C ATOM 23 O GLN A 2 54.892 -9.858 3.670 1.00 0.00 O ATOM 24 CB GLN A 2 52.629 -7.591 2.941 1.00 0.00 C ATOM 25 CG GLN A 2 51.136 -7.839 2.716 1.00 0.00 C ATOM 26 CD GLN A 2 50.621 -8.865 3.719 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.598 -10.061 3.430 1.00 0.00 O ATOM 28 NE2 GLN A 2 50.204 -8.466 4.890 1.00 0.00 N ATOM 0 HA GLN A 2 53.662 -8.291 1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 2 52.858 -7.630 4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.899 -6.594 2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 2 50.584 -6.905 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.967 -8.195 1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 2 50.224 -7.474 5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 2 49.858 -9.146 5.567 1.00 0.00 H new ATOM 37 N ILE A 3 55.723 -8.002 2.698 1.00 0.00 N ATOM 38 CA ILE A 3 57.030 -8.120 3.339 1.00 0.00 C ATOM 39 C ILE A 3 57.387 -6.826 4.062 1.00 0.00 C ATOM 40 O ILE A 3 56.898 -5.753 3.711 1.00 0.00 O ATOM 41 CB ILE A 3 58.098 -8.437 2.291 1.00 0.00 C ATOM 42 CG1 ILE A 3 57.992 -7.441 1.135 1.00 0.00 C ATOM 43 CG2 ILE A 3 57.887 -9.855 1.758 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.395 -7.078 0.648 1.00 0.00 C ATOM 0 H ILE A 3 55.626 -7.196 2.080 1.00 0.00 H new ATOM 0 HA ILE A 3 56.988 -8.930 4.068 1.00 0.00 H new ATOM 0 HB ILE A 3 59.085 -8.362 2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.413 -7.874 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.464 -6.544 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.648 -10.080 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.963 -10.567 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.899 -9.929 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.322 -6.368 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 3 59.959 -6.628 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.906 -7.978 0.307 1.00 0.00 H new ATOM 56 N PHE A 4 58.242 -6.939 5.076 1.00 0.00 N ATOM 57 CA PHE A 4 58.658 -5.772 5.849 1.00 0.00 C ATOM 58 C PHE A 4 60.098 -5.396 5.523 1.00 0.00 C ATOM 59 O PHE A 4 60.961 -6.264 5.394 1.00 0.00 O ATOM 60 CB PHE A 4 58.535 -6.068 7.344 1.00 0.00 C ATOM 61 CG PHE A 4 57.077 -6.069 7.738 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.418 -7.280 7.982 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.385 -4.858 7.860 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.067 -7.281 8.346 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.033 -4.859 8.225 1.00 0.00 C ATOM 66 CZ PHE A 4 54.374 -6.070 8.468 1.00 0.00 C ATOM 0 H PHE A 4 58.657 -7.820 5.380 1.00 0.00 H new ATOM 0 HA PHE A 4 58.009 -4.937 5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 4 58.985 -7.034 7.573 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.078 -5.319 7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.953 -8.214 7.889 1.00 0.00 H new ATOM 0 HD2 PHE A 4 56.894 -3.924 7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.559 -8.215 8.533 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.499 -3.925 8.319 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.331 -6.070 8.750 1.00 0.00 H new ATOM 76 N VAL A 5 60.350 -4.095 5.397 1.00 0.00 N ATOM 77 CA VAL A 5 61.691 -3.604 5.091 1.00 0.00 C ATOM 78 C VAL A 5 62.169 -2.654 6.182 1.00 0.00 C ATOM 79 O VAL A 5 61.466 -1.714 6.553 1.00 0.00 O ATOM 80 CB VAL A 5 61.685 -2.876 3.745 1.00 0.00 C ATOM 81 CG1 VAL A 5 63.089 -2.347 3.444 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.263 -3.850 2.642 1.00 0.00 C ATOM 0 H VAL A 5 59.646 -3.364 5.502 1.00 0.00 H new ATOM 0 HA VAL A 5 62.370 -4.455 5.040 1.00 0.00 H new ATOM 0 HB VAL A 5 60.983 -2.043 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 5 63.085 -1.828 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.393 -1.655 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.791 -3.180 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.258 -3.333 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 5 61.966 -4.682 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.264 -4.230 2.855 1.00 0.00 H new ATOM 92 N LYS A 6 63.370 -2.905 6.696 1.00 0.00 N ATOM 93 CA LYS A 6 63.930 -2.066 7.748 1.00 0.00 C ATOM 94 C LYS A 6 64.893 -1.039 7.163 1.00 0.00 C ATOM 95 O LYS A 6 65.846 -1.392 6.468 1.00 0.00 O ATOM 96 CB LYS A 6 64.667 -2.934 8.770 1.00 0.00 C ATOM 97 CG LYS A 6 63.658 -3.540 9.748 1.00 0.00 C ATOM 98 CD LYS A 6 63.430 -2.573 10.912 1.00 0.00 C ATOM 99 CE LYS A 6 64.462 -2.841 12.008 1.00 0.00 C ATOM 100 NZ LYS A 6 63.954 -3.906 12.919 1.00 0.00 N ATOM 0 H LYS A 6 63.969 -3.677 6.403 1.00 0.00 H new ATOM 0 HA LYS A 6 63.112 -1.539 8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 6 65.217 -3.726 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.399 -2.335 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 6 62.716 -3.740 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.027 -4.495 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 6 63.512 -1.543 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 6 62.422 -2.696 11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 6 65.409 -3.149 11.564 1.00 0.00 H new ATOM 0 HE3 LYS A 6 64.656 -1.928 12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 64.656 -4.089 13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 63.061 -3.595 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 63.790 -4.778 12.376 1.00 0.00 H new ATOM 114 N THR A 7 64.638 0.234 7.451 1.00 0.00 N ATOM 115 CA THR A 7 65.490 1.307 6.950 1.00 0.00 C ATOM 116 C THR A 7 66.611 1.606 7.941 1.00 0.00 C ATOM 117 O THR A 7 66.802 0.877 8.913 1.00 0.00 O ATOM 118 CB THR A 7 64.657 2.570 6.719 1.00 0.00 C ATOM 119 OG1 THR A 7 64.093 2.994 7.952 1.00 0.00 O ATOM 120 CG2 THR A 7 63.540 2.272 5.719 1.00 0.00 C ATOM 0 H THR A 7 63.854 0.546 8.024 1.00 0.00 H new ATOM 0 HA THR A 7 65.931 0.987 6.006 1.00 0.00 H new ATOM 0 HB THR A 7 65.295 3.359 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 7 63.840 3.939 7.888 1.00 0.00 H new ATOM 0 HG21 THR A 7 62.948 3.173 5.556 1.00 0.00 H new ATOM 0 HG22 THR A 7 63.975 1.947 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 7 62.899 1.483 6.113 1.00 0.00 H new ATOM 128 N LEU A 8 67.349 2.682 7.685 1.00 0.00 N ATOM 129 CA LEU A 8 68.449 3.066 8.559 1.00 0.00 C ATOM 130 C LEU A 8 67.914 3.613 9.879 1.00 0.00 C ATOM 131 O LEU A 8 68.602 3.579 10.900 1.00 0.00 O ATOM 132 CB LEU A 8 69.308 4.134 7.874 1.00 0.00 C ATOM 133 CG LEU A 8 70.165 3.503 6.767 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.204 2.550 7.368 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.271 2.729 5.796 1.00 0.00 C ATOM 0 H LEU A 8 67.206 3.299 6.885 1.00 0.00 H new ATOM 0 HA LEU A 8 69.056 2.184 8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.668 4.908 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 8 69.951 4.619 8.609 1.00 0.00 H new ATOM 0 HG LEU A 8 70.682 4.301 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 8 71.802 2.112 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.854 3.102 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.696 1.757 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.885 2.284 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 8 68.744 1.942 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 8 68.547 3.409 5.347 1.00 0.00 H new ATOM 147 N THR A 9 66.687 4.121 9.850 1.00 0.00 N ATOM 148 CA THR A 9 66.071 4.675 11.049 1.00 0.00 C ATOM 149 C THR A 9 65.207 3.627 11.745 1.00 0.00 C ATOM 150 O THR A 9 64.431 3.946 12.645 1.00 0.00 O ATOM 151 CB THR A 9 65.211 5.887 10.683 1.00 0.00 C ATOM 152 OG1 THR A 9 64.079 5.454 9.940 1.00 0.00 O ATOM 153 CG2 THR A 9 66.034 6.862 9.840 1.00 0.00 C ATOM 0 H THR A 9 66.103 4.161 9.015 1.00 0.00 H new ATOM 0 HA THR A 9 66.864 4.984 11.730 1.00 0.00 H new ATOM 0 HB THR A 9 64.880 6.387 11.593 1.00 0.00 H new ATOM 0 HG1 THR A 9 63.526 6.228 9.706 1.00 0.00 H new ATOM 0 HG21 THR A 9 65.421 7.725 9.580 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.902 7.192 10.410 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.366 6.365 8.929 1.00 0.00 H new ATOM 161 N GLY A 10 65.349 2.376 11.321 1.00 0.00 N ATOM 162 CA GLY A 10 64.577 1.288 11.910 1.00 0.00 C ATOM 163 C GLY A 10 63.155 1.270 11.360 1.00 0.00 C ATOM 164 O GLY A 10 62.428 0.290 11.525 1.00 0.00 O ATOM 0 H GLY A 10 65.986 2.091 10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.064 0.336 11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.551 1.401 12.994 1.00 0.00 H new ATOM 168 N LYS A 11 62.765 2.357 10.703 1.00 0.00 N ATOM 169 CA LYS A 11 61.427 2.454 10.130 1.00 0.00 C ATOM 170 C LYS A 11 61.084 1.186 9.355 1.00 0.00 C ATOM 171 O LYS A 11 61.846 0.750 8.491 1.00 0.00 O ATOM 172 CB LYS A 11 61.342 3.663 9.199 1.00 0.00 C ATOM 173 CG LYS A 11 59.887 4.124 9.088 1.00 0.00 C ATOM 174 CD LYS A 11 59.772 5.197 8.004 1.00 0.00 C ATOM 175 CE LYS A 11 58.348 5.755 7.987 1.00 0.00 C ATOM 176 NZ LYS A 11 57.467 4.895 8.827 1.00 0.00 N ATOM 0 H LYS A 11 63.352 3.178 10.554 1.00 0.00 H new ATOM 0 HA LYS A 11 60.712 2.574 10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 11 61.963 4.473 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.728 3.404 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 11 59.244 3.278 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 11 59.546 4.520 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.486 5.999 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 11 60.020 4.774 7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 11 58.342 6.778 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 11 57.972 5.790 6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.484 5.224 8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 57.530 3.910 8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 57.772 4.951 9.820 1.00 0.00 H new ATOM 190 N THR A 12 59.934 0.598 9.668 1.00 0.00 N ATOM 191 CA THR A 12 59.501 -0.620 8.994 1.00 0.00 C ATOM 192 C THR A 12 58.475 -0.300 7.912 1.00 0.00 C ATOM 193 O THR A 12 57.403 0.231 8.199 1.00 0.00 O ATOM 194 CB THR A 12 58.891 -1.590 10.008 1.00 0.00 C ATOM 195 OG1 THR A 12 59.582 -1.478 11.244 1.00 0.00 O ATOM 196 CG2 THR A 12 59.008 -3.022 9.483 1.00 0.00 C ATOM 0 H THR A 12 59.289 0.942 10.379 1.00 0.00 H new ATOM 0 HA THR A 12 60.371 -1.082 8.527 1.00 0.00 H new ATOM 0 HB THR A 12 57.839 -1.346 10.157 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.191 -2.098 11.895 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.573 -3.711 10.207 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.476 -3.107 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.059 -3.270 9.332 1.00 0.00 H new ATOM 204 N ILE A 13 58.814 -0.627 6.668 1.00 0.00 N ATOM 205 CA ILE A 13 57.915 -0.371 5.546 1.00 0.00 C ATOM 206 C ILE A 13 57.293 -1.673 5.052 1.00 0.00 C ATOM 207 O ILE A 13 57.979 -2.687 4.922 1.00 0.00 O ATOM 208 CB ILE A 13 58.684 0.292 4.400 1.00 0.00 C ATOM 209 CG1 ILE A 13 59.991 0.880 4.937 1.00 0.00 C ATOM 210 CG2 ILE A 13 57.834 1.410 3.792 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.616 1.791 3.879 1.00 0.00 C ATOM 0 H ILE A 13 59.698 -1.067 6.412 1.00 0.00 H new ATOM 0 HA ILE A 13 57.122 0.295 5.886 1.00 0.00 H new ATOM 0 HB ILE A 13 58.906 -0.451 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.800 1.444 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.683 0.079 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.382 1.881 2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 13 56.903 0.992 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.611 2.154 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.547 2.209 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.822 1.214 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 13 59.925 2.600 3.642 1.00 0.00 H new ATOM 223 N THR A 14 55.992 -1.636 4.778 1.00 0.00 N ATOM 224 CA THR A 14 55.287 -2.819 4.296 1.00 0.00 C ATOM 225 C THR A 14 54.999 -2.695 2.803 1.00 0.00 C ATOM 226 O THR A 14 54.312 -1.770 2.372 1.00 0.00 O ATOM 227 CB THR A 14 53.972 -2.991 5.061 1.00 0.00 C ATOM 228 OG1 THR A 14 54.147 -2.562 6.403 1.00 0.00 O ATOM 229 CG2 THR A 14 53.558 -4.462 5.043 1.00 0.00 C ATOM 0 H THR A 14 55.408 -0.806 4.881 1.00 0.00 H new ATOM 0 HA THR A 14 55.919 -3.692 4.462 1.00 0.00 H new ATOM 0 HB THR A 14 53.195 -2.392 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.752 -3.178 6.867 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.622 -4.583 5.588 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.423 -4.789 4.012 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.334 -5.064 5.516 1.00 0.00 H new ATOM 237 N LEU A 15 55.532 -3.632 2.025 1.00 0.00 N ATOM 238 CA LEU A 15 55.333 -3.623 0.579 1.00 0.00 C ATOM 239 C LEU A 15 54.862 -4.991 0.095 1.00 0.00 C ATOM 240 O LEU A 15 55.225 -6.020 0.665 1.00 0.00 O ATOM 241 CB LEU A 15 56.643 -3.258 -0.123 1.00 0.00 C ATOM 242 CG LEU A 15 57.100 -1.865 0.326 1.00 0.00 C ATOM 243 CD1 LEU A 15 58.468 -1.558 -0.282 1.00 0.00 C ATOM 244 CD2 LEU A 15 56.091 -0.807 -0.136 1.00 0.00 C ATOM 0 H LEU A 15 56.103 -4.404 2.369 1.00 0.00 H new ATOM 0 HA LEU A 15 54.570 -2.882 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 15 57.410 -3.996 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 15 56.504 -3.275 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 15 57.167 -1.846 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 15 58.794 -0.568 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 15 59.190 -2.303 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 15 58.397 -1.584 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 56.424 0.179 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 15 56.016 -0.826 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 15 55.115 -1.021 0.299 1.00 0.00 H new ATOM 256 N GLU A 16 54.051 -4.993 -0.959 1.00 0.00 N ATOM 257 CA GLU A 16 53.538 -6.241 -1.512 1.00 0.00 C ATOM 258 C GLU A 16 54.291 -6.610 -2.786 1.00 0.00 C ATOM 259 O GLU A 16 54.404 -5.803 -3.708 1.00 0.00 O ATOM 260 CB GLU A 16 52.046 -6.099 -1.823 1.00 0.00 C ATOM 261 CG GLU A 16 51.261 -5.975 -0.514 1.00 0.00 C ATOM 262 CD GLU A 16 50.323 -4.775 -0.581 1.00 0.00 C ATOM 263 OE1 GLU A 16 49.163 -4.973 -0.901 1.00 0.00 O ATOM 264 OE2 GLU A 16 50.779 -3.676 -0.311 1.00 0.00 O ATOM 0 H GLU A 16 53.737 -4.152 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 16 53.682 -7.031 -0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.876 -5.221 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 16 51.697 -6.964 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.688 -6.885 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.950 -5.863 0.323 1.00 0.00 H new ATOM 271 N VAL A 17 54.804 -7.836 -2.829 1.00 0.00 N ATOM 272 CA VAL A 17 55.547 -8.301 -3.994 1.00 0.00 C ATOM 273 C VAL A 17 55.300 -9.789 -4.228 1.00 0.00 C ATOM 274 O VAL A 17 54.816 -10.494 -3.343 1.00 0.00 O ATOM 275 CB VAL A 17 57.043 -8.055 -3.792 1.00 0.00 C ATOM 276 CG1 VAL A 17 57.260 -6.643 -3.248 1.00 0.00 C ATOM 277 CG2 VAL A 17 57.595 -9.076 -2.795 1.00 0.00 C ATOM 0 H VAL A 17 54.720 -8.520 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 17 55.203 -7.746 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 17 57.561 -8.159 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 17 58.326 -6.468 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 17 56.865 -5.915 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.743 -6.537 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 17 58.661 -8.903 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 17 57.077 -8.971 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.441 -10.083 -3.183 1.00 0.00 H new ATOM 287 N GLU A 18 55.637 -10.257 -5.425 1.00 0.00 N ATOM 288 CA GLU A 18 55.449 -11.663 -5.766 1.00 0.00 C ATOM 289 C GLU A 18 56.608 -12.156 -6.636 1.00 0.00 C ATOM 290 O GLU A 18 57.223 -11.369 -7.356 1.00 0.00 O ATOM 291 CB GLU A 18 54.130 -11.838 -6.520 1.00 0.00 C ATOM 292 CG GLU A 18 52.978 -11.953 -5.518 1.00 0.00 C ATOM 293 CD GLU A 18 53.017 -13.312 -4.829 1.00 0.00 C ATOM 294 OE1 GLU A 18 52.733 -14.298 -5.490 1.00 0.00 O ATOM 295 OE2 GLU A 18 53.324 -13.347 -3.649 1.00 0.00 O ATOM 0 H GLU A 18 56.039 -9.689 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 18 55.423 -12.248 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.964 -10.990 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.172 -12.730 -7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.051 -11.158 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.025 -11.824 -6.031 1.00 0.00 H new ATOM 302 N PRO A 19 56.920 -13.432 -6.594 1.00 0.00 N ATOM 303 CA PRO A 19 58.026 -14.009 -7.404 1.00 0.00 C ATOM 304 C PRO A 19 58.104 -13.389 -8.799 1.00 0.00 C ATOM 305 O PRO A 19 59.159 -13.396 -9.433 1.00 0.00 O ATOM 306 CB PRO A 19 57.668 -15.491 -7.487 1.00 0.00 C ATOM 307 CG PRO A 19 56.886 -15.784 -6.245 1.00 0.00 C ATOM 308 CD PRO A 19 56.260 -14.466 -5.776 1.00 0.00 C ATOM 0 HA PRO A 19 59.003 -13.822 -6.959 1.00 0.00 H new ATOM 0 HB2 PRO A 19 57.080 -15.703 -8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 19 58.564 -16.109 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 19 56.113 -16.526 -6.444 1.00 0.00 H new ATOM 0 HG3 PRO A 19 57.534 -16.198 -5.472 1.00 0.00 H new ATOM 0 HD2 PRO A 19 55.181 -14.463 -5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 19 56.433 -14.301 -4.713 1.00 0.00 H new ATOM 316 N SER A 20 56.981 -12.857 -9.269 1.00 0.00 N ATOM 317 CA SER A 20 56.934 -12.238 -10.588 1.00 0.00 C ATOM 318 C SER A 20 57.756 -10.953 -10.613 1.00 0.00 C ATOM 319 O SER A 20 58.645 -10.790 -11.447 1.00 0.00 O ATOM 320 CB SER A 20 55.485 -11.927 -10.965 1.00 0.00 C ATOM 321 OG SER A 20 54.705 -11.823 -9.781 1.00 0.00 O ATOM 0 H SER A 20 56.097 -12.842 -8.760 1.00 0.00 H new ATOM 0 HA SER A 20 57.357 -12.936 -11.310 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.436 -10.996 -11.530 1.00 0.00 H new ATOM 0 HB3 SER A 20 55.088 -12.712 -11.609 1.00 0.00 H new ATOM 0 HG SER A 20 53.776 -11.622 -10.018 1.00 0.00 H new ATOM 327 N ASP A 21 57.449 -10.043 -9.693 1.00 0.00 N ATOM 328 CA ASP A 21 58.166 -8.775 -9.620 1.00 0.00 C ATOM 329 C ASP A 21 59.543 -8.970 -8.993 1.00 0.00 C ATOM 330 O ASP A 21 59.715 -9.804 -8.102 1.00 0.00 O ATOM 331 CB ASP A 21 57.364 -7.769 -8.792 1.00 0.00 C ATOM 332 CG ASP A 21 56.865 -6.636 -9.683 1.00 0.00 C ATOM 333 OD1 ASP A 21 56.387 -6.927 -10.766 1.00 0.00 O ATOM 334 OD2 ASP A 21 56.966 -5.494 -9.265 1.00 0.00 O ATOM 0 H ASP A 21 56.715 -10.158 -8.994 1.00 0.00 H new ATOM 0 HA ASP A 21 58.293 -8.394 -10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.519 -8.268 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.986 -7.366 -7.993 1.00 0.00 H new ATOM 339 N THR A 22 60.517 -8.197 -9.461 1.00 0.00 N ATOM 340 CA THR A 22 61.876 -8.291 -8.940 1.00 0.00 C ATOM 341 C THR A 22 62.184 -7.107 -8.027 1.00 0.00 C ATOM 342 O THR A 22 61.416 -6.148 -7.959 1.00 0.00 O ATOM 343 CB THR A 22 62.879 -8.319 -10.097 1.00 0.00 C ATOM 344 OG1 THR A 22 63.026 -7.008 -10.623 1.00 0.00 O ATOM 345 CG2 THR A 22 62.370 -9.258 -11.192 1.00 0.00 C ATOM 0 H THR A 22 60.392 -7.502 -10.197 1.00 0.00 H new ATOM 0 HA THR A 22 61.960 -9.212 -8.363 1.00 0.00 H new ATOM 0 HB THR A 22 63.844 -8.676 -9.736 1.00 0.00 H new ATOM 0 HG1 THR A 22 63.669 -7.022 -11.363 1.00 0.00 H new ATOM 0 HG21 THR A 22 63.084 -9.278 -12.015 1.00 0.00 H new ATOM 0 HG22 THR A 22 62.257 -10.263 -10.786 1.00 0.00 H new ATOM 0 HG23 THR A 22 61.406 -8.903 -11.556 1.00 0.00 H new ATOM 353 N ILE A 23 63.313 -7.183 -7.329 1.00 0.00 N ATOM 354 CA ILE A 23 63.711 -6.111 -6.423 1.00 0.00 C ATOM 355 C ILE A 23 63.700 -4.769 -7.147 1.00 0.00 C ATOM 356 O ILE A 23 63.649 -3.713 -6.516 1.00 0.00 O ATOM 357 CB ILE A 23 65.114 -6.383 -5.873 1.00 0.00 C ATOM 358 CG1 ILE A 23 65.234 -7.858 -5.478 1.00 0.00 C ATOM 359 CG2 ILE A 23 65.358 -5.507 -4.643 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.031 -8.264 -4.623 1.00 0.00 C ATOM 0 H ILE A 23 63.963 -7.968 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 23 62.999 -6.075 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 23 65.854 -6.151 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 23 65.284 -8.481 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 23 66.158 -8.022 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 23 66.357 -5.700 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.275 -4.457 -4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 23 64.617 -5.739 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.120 -9.314 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.001 -7.651 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.113 -8.117 -5.193 1.00 0.00 H new ATOM 372 N GLU A 24 63.748 -4.816 -8.475 1.00 0.00 N ATOM 373 CA GLU A 24 63.743 -3.595 -9.273 1.00 0.00 C ATOM 374 C GLU A 24 62.498 -2.768 -8.973 1.00 0.00 C ATOM 375 O GLU A 24 62.583 -1.564 -8.734 1.00 0.00 O ATOM 376 CB GLU A 24 63.780 -3.944 -10.762 1.00 0.00 C ATOM 377 CG GLU A 24 63.754 -2.655 -11.587 1.00 0.00 C ATOM 378 CD GLU A 24 64.047 -2.967 -13.051 1.00 0.00 C ATOM 379 OE1 GLU A 24 63.782 -2.113 -13.882 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.531 -4.054 -13.321 1.00 0.00 O ATOM 0 H GLU A 24 63.790 -5.679 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 24 64.626 -3.010 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.679 -4.517 -10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 24 62.927 -4.572 -11.021 1.00 0.00 H new ATOM 0 HG2 GLU A 24 62.779 -2.175 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.492 -1.952 -11.202 1.00 0.00 H new ATOM 387 N ASN A 25 61.341 -3.423 -8.985 1.00 0.00 N ATOM 388 CA ASN A 25 60.084 -2.737 -8.712 1.00 0.00 C ATOM 389 C ASN A 25 60.012 -2.323 -7.246 1.00 0.00 C ATOM 390 O ASN A 25 59.539 -1.233 -6.920 1.00 0.00 O ATOM 391 CB ASN A 25 58.904 -3.652 -9.045 1.00 0.00 C ATOM 392 CG ASN A 25 57.915 -2.917 -9.943 1.00 0.00 C ATOM 393 OD1 ASN A 25 57.376 -1.880 -9.557 1.00 0.00 O ATOM 394 ND2 ASN A 25 57.643 -3.395 -11.127 1.00 0.00 N ATOM 0 H ASN A 25 61.248 -4.420 -9.179 1.00 0.00 H new ATOM 0 HA ASN A 25 60.035 -1.844 -9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 25 59.261 -4.553 -9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 25 58.409 -3.970 -8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 25 56.983 -2.909 -11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 25 58.091 -4.255 -11.445 1.00 0.00 H new ATOM 401 N ALA A 26 60.485 -3.199 -6.366 1.00 0.00 N ATOM 402 CA ALA A 26 60.471 -2.913 -4.936 1.00 0.00 C ATOM 403 C ALA A 26 61.333 -1.692 -4.628 1.00 0.00 C ATOM 404 O ALA A 26 60.977 -0.866 -3.787 1.00 0.00 O ATOM 405 CB ALA A 26 60.995 -4.119 -4.156 1.00 0.00 C ATOM 0 H ALA A 26 60.880 -4.106 -6.615 1.00 0.00 H new ATOM 0 HA ALA A 26 59.444 -2.706 -4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 26 60.981 -3.896 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.362 -4.984 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 26 62.016 -4.338 -4.467 1.00 0.00 H new ATOM 411 N LYS A 27 62.466 -1.585 -5.315 1.00 0.00 N ATOM 412 CA LYS A 27 63.370 -0.461 -5.109 1.00 0.00 C ATOM 413 C LYS A 27 62.700 0.844 -5.530 1.00 0.00 C ATOM 414 O LYS A 27 62.798 1.855 -4.836 1.00 0.00 O ATOM 415 CB LYS A 27 64.651 -0.665 -5.919 1.00 0.00 C ATOM 416 CG LYS A 27 65.655 -1.470 -5.091 1.00 0.00 C ATOM 417 CD LYS A 27 66.589 -2.238 -6.027 1.00 0.00 C ATOM 418 CE LYS A 27 67.311 -1.255 -6.949 1.00 0.00 C ATOM 419 NZ LYS A 27 68.632 -1.820 -7.344 1.00 0.00 N ATOM 0 H LYS A 27 62.778 -2.259 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 27 63.618 -0.405 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.427 -1.189 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 27 65.079 0.300 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 27 66.232 -0.803 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.129 -2.164 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 27 67.314 -2.808 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.019 -2.955 -6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.707 -1.061 -7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.449 -0.300 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 69.122 -1.151 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 69.208 -1.983 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 68.489 -2.721 -7.843 1.00 0.00 H new ATOM 433 N ALA A 28 62.019 0.813 -6.670 1.00 0.00 N ATOM 434 CA ALA A 28 61.336 1.999 -7.173 1.00 0.00 C ATOM 435 C ALA A 28 60.227 2.419 -6.216 1.00 0.00 C ATOM 436 O ALA A 28 60.031 3.607 -5.959 1.00 0.00 O ATOM 437 CB ALA A 28 60.743 1.716 -8.555 1.00 0.00 C ATOM 0 H ALA A 28 61.925 -0.014 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 28 62.061 2.809 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 28 60.235 2.608 -8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.542 1.443 -9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 28 60.029 0.895 -8.484 1.00 0.00 H new ATOM 443 N LYS A 29 59.503 1.436 -5.689 1.00 0.00 N ATOM 444 CA LYS A 29 58.417 1.718 -4.757 1.00 0.00 C ATOM 445 C LYS A 29 58.964 2.347 -3.481 1.00 0.00 C ATOM 446 O LYS A 29 58.356 3.253 -2.912 1.00 0.00 O ATOM 447 CB LYS A 29 57.671 0.427 -4.416 1.00 0.00 C ATOM 448 CG LYS A 29 56.549 0.202 -5.432 1.00 0.00 C ATOM 449 CD LYS A 29 55.838 -1.117 -5.126 1.00 0.00 C ATOM 450 CE LYS A 29 54.325 -0.920 -5.241 1.00 0.00 C ATOM 451 NZ LYS A 29 53.653 -2.249 -5.285 1.00 0.00 N ATOM 0 H LYS A 29 59.647 0.446 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 29 57.727 2.418 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.360 -0.417 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.258 0.488 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.838 1.028 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 29 56.958 0.181 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 29 56.169 -1.890 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 29 56.096 -1.457 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 29 53.957 -0.343 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.089 -0.351 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.625 -2.116 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.996 -2.784 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.869 -2.776 -4.415 1.00 0.00 H new ATOM 465 N ILE A 30 60.118 1.859 -3.036 1.00 0.00 N ATOM 466 CA ILE A 30 60.743 2.382 -1.826 1.00 0.00 C ATOM 467 C ILE A 30 61.179 3.828 -2.033 1.00 0.00 C ATOM 468 O ILE A 30 61.145 4.636 -1.104 1.00 0.00 O ATOM 469 CB ILE A 30 61.953 1.528 -1.453 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.476 0.292 -0.689 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.901 2.343 -0.567 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.628 -0.701 -0.550 1.00 0.00 C ATOM 0 H ILE A 30 60.636 1.108 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 30 60.014 2.347 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 30 62.479 1.221 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 30 61.110 0.580 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.643 -0.174 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.764 1.733 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 30 63.235 3.228 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.379 2.648 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.286 -1.581 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.973 -0.999 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.448 -0.233 -0.005 1.00 0.00 H new ATOM 484 N GLN A 31 61.594 4.145 -3.255 1.00 0.00 N ATOM 485 CA GLN A 31 62.043 5.494 -3.574 1.00 0.00 C ATOM 486 C GLN A 31 60.912 6.503 -3.400 1.00 0.00 C ATOM 487 O GLN A 31 61.118 7.588 -2.861 1.00 0.00 O ATOM 488 CB GLN A 31 62.553 5.546 -5.016 1.00 0.00 C ATOM 489 CG GLN A 31 62.823 6.999 -5.410 1.00 0.00 C ATOM 490 CD GLN A 31 61.581 7.606 -6.051 1.00 0.00 C ATOM 491 OE1 GLN A 31 61.170 7.185 -7.133 1.00 0.00 O ATOM 492 NE2 GLN A 31 60.955 8.580 -5.448 1.00 0.00 N ATOM 0 H GLN A 31 61.629 3.490 -4.036 1.00 0.00 H new ATOM 0 HA GLN A 31 62.849 5.753 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.465 4.957 -5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.817 5.106 -5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 31 63.107 7.576 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.661 7.046 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.296 8.928 -4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 31 60.125 8.993 -5.873 1.00 0.00 H new ATOM 501 N ASP A 32 59.723 6.144 -3.867 1.00 0.00 N ATOM 502 CA ASP A 32 58.572 7.036 -3.764 1.00 0.00 C ATOM 503 C ASP A 32 58.023 7.064 -2.339 1.00 0.00 C ATOM 504 O ASP A 32 57.241 7.947 -1.987 1.00 0.00 O ATOM 505 CB ASP A 32 57.473 6.581 -4.725 1.00 0.00 C ATOM 506 CG ASP A 32 57.253 7.639 -5.801 1.00 0.00 C ATOM 507 OD1 ASP A 32 57.416 7.313 -6.966 1.00 0.00 O ATOM 508 OD2 ASP A 32 56.928 8.759 -5.446 1.00 0.00 O ATOM 0 H ASP A 32 59.530 5.249 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 32 58.899 8.042 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.751 5.633 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 32 56.547 6.409 -4.177 1.00 0.00 H new ATOM 513 N LYS A 33 58.426 6.094 -1.526 1.00 0.00 N ATOM 514 CA LYS A 33 57.950 6.024 -0.149 1.00 0.00 C ATOM 515 C LYS A 33 58.908 6.733 0.806 1.00 0.00 C ATOM 516 O LYS A 33 58.476 7.419 1.732 1.00 0.00 O ATOM 517 CB LYS A 33 57.799 4.563 0.278 1.00 0.00 C ATOM 518 CG LYS A 33 56.794 3.864 -0.640 1.00 0.00 C ATOM 519 CD LYS A 33 55.458 3.710 0.089 1.00 0.00 C ATOM 520 CE LYS A 33 54.419 3.124 -0.868 1.00 0.00 C ATOM 521 NZ LYS A 33 54.016 4.161 -1.859 1.00 0.00 N ATOM 0 H LYS A 33 59.074 5.353 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 33 56.983 6.525 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.764 4.058 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 33 57.461 4.509 1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.657 4.442 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 33 57.174 2.886 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.577 3.060 0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 33 55.121 4.678 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.831 2.255 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 33 53.548 2.781 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 53.126 3.877 -2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 53.881 5.071 -1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 54.759 4.260 -2.580 1.00 0.00 H new ATOM 535 N GLU A 34 60.209 6.554 0.586 1.00 0.00 N ATOM 536 CA GLU A 34 61.212 7.174 1.450 1.00 0.00 C ATOM 537 C GLU A 34 61.857 8.380 0.773 1.00 0.00 C ATOM 538 O GLU A 34 62.507 9.192 1.431 1.00 0.00 O ATOM 539 CB GLU A 34 62.291 6.152 1.808 1.00 0.00 C ATOM 540 CG GLU A 34 61.653 4.970 2.540 1.00 0.00 C ATOM 541 CD GLU A 34 61.174 5.411 3.920 1.00 0.00 C ATOM 542 OE1 GLU A 34 62.014 5.615 4.779 1.00 0.00 O ATOM 543 OE2 GLU A 34 59.973 5.541 4.094 1.00 0.00 O ATOM 0 H GLU A 34 60.591 5.991 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 34 60.711 7.516 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.793 5.806 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 34 63.051 6.615 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.815 4.582 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 34 62.375 4.159 2.638 1.00 0.00 H new ATOM 550 N GLY A 35 61.677 8.497 -0.539 1.00 0.00 N ATOM 551 CA GLY A 35 62.256 9.616 -1.275 1.00 0.00 C ATOM 552 C GLY A 35 63.730 9.368 -1.581 1.00 0.00 C ATOM 553 O GLY A 35 64.441 10.271 -2.023 1.00 0.00 O ATOM 0 H GLY A 35 61.142 7.841 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.708 9.766 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 35 62.151 10.531 -0.693 1.00 0.00 H new ATOM 557 N ILE A 36 64.186 8.142 -1.342 1.00 0.00 N ATOM 558 CA ILE A 36 65.580 7.796 -1.596 1.00 0.00 C ATOM 559 C ILE A 36 65.761 7.366 -3.061 1.00 0.00 C ATOM 560 O ILE A 36 64.982 6.557 -3.562 1.00 0.00 O ATOM 561 CB ILE A 36 66.007 6.647 -0.674 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.662 6.997 0.775 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.516 6.422 -0.792 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.955 5.794 1.673 1.00 0.00 C ATOM 0 H ILE A 36 63.617 7.379 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 36 66.199 8.671 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 36 65.480 5.739 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 36 66.245 7.858 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.611 7.275 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.814 5.605 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.767 6.170 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 36 68.043 7.331 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.710 6.042 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.353 4.944 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 36 67.012 5.537 1.603 1.00 0.00 H new ATOM 576 N PRO A 37 66.759 7.873 -3.764 1.00 0.00 N ATOM 577 CA PRO A 37 66.988 7.493 -5.189 1.00 0.00 C ATOM 578 C PRO A 37 67.504 6.060 -5.323 1.00 0.00 C ATOM 579 O PRO A 37 68.003 5.480 -4.357 1.00 0.00 O ATOM 580 CB PRO A 37 68.031 8.499 -5.680 1.00 0.00 C ATOM 581 CG PRO A 37 68.747 8.965 -4.459 1.00 0.00 C ATOM 582 CD PRO A 37 67.765 8.846 -3.295 1.00 0.00 C ATOM 0 HA PRO A 37 66.066 7.520 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 37 68.721 8.035 -6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 37 67.557 9.333 -6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 37 69.635 8.360 -4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 37 69.082 9.995 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 37 68.262 8.499 -2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 37 67.309 9.808 -3.060 1.00 0.00 H new ATOM 590 N PRO A 38 67.394 5.480 -6.492 1.00 0.00 N ATOM 591 CA PRO A 38 67.862 4.084 -6.745 1.00 0.00 C ATOM 592 C PRO A 38 69.367 3.932 -6.535 1.00 0.00 C ATOM 593 O PRO A 38 69.857 2.834 -6.269 1.00 0.00 O ATOM 594 CB PRO A 38 67.485 3.818 -8.207 1.00 0.00 C ATOM 595 CG PRO A 38 67.271 5.161 -8.823 1.00 0.00 C ATOM 596 CD PRO A 38 66.816 6.087 -7.700 1.00 0.00 C ATOM 0 HA PRO A 38 67.406 3.376 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.276 3.273 -8.722 1.00 0.00 H new ATOM 0 HB3 PRO A 38 66.583 3.209 -8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.190 5.529 -9.280 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.520 5.110 -9.612 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.177 7.105 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.729 6.140 -7.641 1.00 0.00 H new ATOM 604 N ASP A 39 70.091 5.039 -6.655 1.00 0.00 N ATOM 605 CA ASP A 39 71.539 5.014 -6.479 1.00 0.00 C ATOM 606 C ASP A 39 71.903 4.855 -5.005 1.00 0.00 C ATOM 607 O ASP A 39 72.996 4.395 -4.675 1.00 0.00 O ATOM 608 CB ASP A 39 72.152 6.307 -7.022 1.00 0.00 C ATOM 609 CG ASP A 39 73.578 6.463 -6.509 1.00 0.00 C ATOM 610 OD1 ASP A 39 74.359 5.546 -6.698 1.00 0.00 O ATOM 611 OD2 ASP A 39 73.870 7.500 -5.932 1.00 0.00 O ATOM 0 H ASP A 39 69.704 5.958 -6.871 1.00 0.00 H new ATOM 0 HA ASP A 39 71.937 4.162 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 39 72.149 6.291 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.550 7.162 -6.714 1.00 0.00 H new ATOM 616 N GLN A 40 70.984 5.245 -4.126 1.00 0.00 N ATOM 617 CA GLN A 40 71.220 5.146 -2.688 1.00 0.00 C ATOM 618 C GLN A 40 70.382 4.029 -2.074 1.00 0.00 C ATOM 619 O GLN A 40 70.174 3.995 -0.860 1.00 0.00 O ATOM 620 CB GLN A 40 70.872 6.473 -2.011 1.00 0.00 C ATOM 621 CG GLN A 40 72.044 7.445 -2.155 1.00 0.00 C ATOM 622 CD GLN A 40 71.565 8.875 -1.925 1.00 0.00 C ATOM 623 OE1 GLN A 40 71.097 9.205 -0.836 1.00 0.00 O ATOM 624 NE2 GLN A 40 71.652 9.746 -2.893 1.00 0.00 N ATOM 0 H GLN A 40 70.075 5.630 -4.381 1.00 0.00 H new ATOM 0 HA GLN A 40 72.274 4.918 -2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.976 6.899 -2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 40 70.651 6.308 -0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.826 7.194 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.482 7.355 -3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 40 72.040 9.469 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.332 10.703 -2.748 1.00 0.00 H new ATOM 633 N GLN A 41 69.901 3.118 -2.916 1.00 0.00 N ATOM 634 CA GLN A 41 69.086 2.004 -2.441 1.00 0.00 C ATOM 635 C GLN A 41 69.877 0.700 -2.496 1.00 0.00 C ATOM 636 O GLN A 41 70.402 0.325 -3.546 1.00 0.00 O ATOM 637 CB GLN A 41 67.827 1.873 -3.300 1.00 0.00 C ATOM 638 CG GLN A 41 66.782 2.890 -2.836 1.00 0.00 C ATOM 639 CD GLN A 41 65.831 3.216 -3.982 1.00 0.00 C ATOM 640 OE1 GLN A 41 65.689 4.378 -4.363 1.00 0.00 O ATOM 641 NE2 GLN A 41 65.177 2.251 -4.568 1.00 0.00 N ATOM 0 H GLN A 41 70.060 3.129 -3.923 1.00 0.00 H new ATOM 0 HA GLN A 41 68.802 2.202 -1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.071 2.040 -4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.425 0.863 -3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.223 2.490 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.275 3.799 -2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.296 1.289 -4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 41 64.547 2.459 -5.343 1.00 0.00 H new ATOM 650 N ARG A 42 69.957 0.016 -1.359 1.00 0.00 N ATOM 651 CA ARG A 42 70.687 -1.246 -1.284 1.00 0.00 C ATOM 652 C ARG A 42 69.867 -2.295 -0.539 1.00 0.00 C ATOM 653 O ARG A 42 69.678 -2.202 0.673 1.00 0.00 O ATOM 654 CB ARG A 42 72.018 -1.035 -0.566 1.00 0.00 C ATOM 655 CG ARG A 42 73.159 -1.567 -1.436 1.00 0.00 C ATOM 656 CD ARG A 42 74.460 -1.541 -0.636 1.00 0.00 C ATOM 657 NE ARG A 42 75.576 -1.975 -1.467 1.00 0.00 N ATOM 658 CZ ARG A 42 75.883 -3.263 -1.594 1.00 0.00 C ATOM 659 NH1 ARG A 42 76.892 -3.623 -2.339 1.00 0.00 N ATOM 660 NH2 ARG A 42 75.175 -4.167 -0.972 1.00 0.00 N ATOM 0 H ARG A 42 69.529 0.311 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 42 70.872 -1.598 -2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.168 0.025 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.010 -1.549 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.939 -2.584 -1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 42 73.260 -0.959 -2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.646 -0.533 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.372 -2.191 0.235 1.00 0.00 H new ATOM 0 HE ARG A 42 76.133 -1.277 -1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 42 77.445 -2.917 -2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 42 77.127 -4.611 -2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 42 74.387 -3.885 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 42 75.410 -5.155 -1.069 1.00 0.00 H new ATOM 674 N LEU A 43 69.385 -3.294 -1.271 1.00 0.00 N ATOM 675 CA LEU A 43 68.590 -4.356 -0.667 1.00 0.00 C ATOM 676 C LEU A 43 69.489 -5.524 -0.270 1.00 0.00 C ATOM 677 O LEU A 43 70.141 -6.131 -1.119 1.00 0.00 O ATOM 678 CB LEU A 43 67.524 -4.841 -1.659 1.00 0.00 C ATOM 679 CG LEU A 43 66.123 -4.733 -1.042 1.00 0.00 C ATOM 680 CD1 LEU A 43 66.061 -5.556 0.246 1.00 0.00 C ATOM 681 CD2 LEU A 43 65.804 -3.267 -0.730 1.00 0.00 C ATOM 0 H LEU A 43 69.530 -3.390 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 43 68.100 -3.963 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.572 -4.247 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 43 67.725 -5.875 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 43 65.390 -5.117 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 43 65.065 -5.477 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.277 -6.601 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 43 66.798 -5.178 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.808 -3.197 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 43 66.539 -2.877 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 43 65.838 -2.683 -1.650 1.00 0.00 H new ATOM 693 N ILE A 44 69.520 -5.825 1.027 1.00 0.00 N ATOM 694 CA ILE A 44 70.347 -6.918 1.534 1.00 0.00 C ATOM 695 C ILE A 44 69.472 -8.042 2.079 1.00 0.00 C ATOM 696 O ILE A 44 68.552 -7.802 2.861 1.00 0.00 O ATOM 697 CB ILE A 44 71.269 -6.401 2.648 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.514 -5.755 2.030 1.00 0.00 C ATOM 699 CG2 ILE A 44 71.698 -7.566 3.542 1.00 0.00 C ATOM 700 CD1 ILE A 44 72.107 -4.564 1.160 1.00 0.00 C ATOM 0 H ILE A 44 68.986 -5.331 1.742 1.00 0.00 H new ATOM 0 HA ILE A 44 70.949 -7.306 0.712 1.00 0.00 H new ATOM 0 HB ILE A 44 70.731 -5.662 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.192 -5.426 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 44 73.054 -6.487 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.352 -7.197 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 44 70.816 -8.027 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 44 72.232 -8.305 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 44 72.997 -4.110 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 44 71.446 -4.905 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 44 71.587 -3.827 1.772 1.00 0.00 H new ATOM 712 N PHE A 45 69.771 -9.270 1.665 1.00 0.00 N ATOM 713 CA PHE A 45 69.007 -10.424 2.123 1.00 0.00 C ATOM 714 C PHE A 45 69.884 -11.674 2.133 1.00 0.00 C ATOM 715 O PHE A 45 71.009 -11.658 1.633 1.00 0.00 O ATOM 716 CB PHE A 45 67.794 -10.648 1.213 1.00 0.00 C ATOM 717 CG PHE A 45 67.062 -11.905 1.636 1.00 0.00 C ATOM 718 CD1 PHE A 45 66.934 -12.975 0.742 1.00 0.00 C ATOM 719 CD2 PHE A 45 66.513 -11.996 2.921 1.00 0.00 C ATOM 720 CE1 PHE A 45 66.258 -14.136 1.134 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.838 -13.159 3.312 1.00 0.00 C ATOM 722 CZ PHE A 45 65.709 -14.229 2.417 1.00 0.00 C ATOM 0 H PHE A 45 70.530 -9.490 1.019 1.00 0.00 H new ATOM 0 HA PHE A 45 68.661 -10.229 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 45 67.124 -9.790 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 45 68.117 -10.736 0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 45 67.357 -12.904 -0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.610 -11.170 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.160 -14.962 0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 45 65.417 -13.231 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.186 -15.125 2.717 1.00 0.00 H new ATOM 879 N LEU A 56 67.968 -12.025 -6.093 1.00 0.00 N ATOM 880 CA LEU A 56 67.503 -12.227 -4.724 1.00 0.00 C ATOM 881 C LEU A 56 66.126 -12.882 -4.723 1.00 0.00 C ATOM 882 O LEU A 56 65.811 -13.688 -3.845 1.00 0.00 O ATOM 883 CB LEU A 56 67.434 -10.884 -3.988 1.00 0.00 C ATOM 884 CG LEU A 56 68.812 -10.212 -3.990 1.00 0.00 C ATOM 885 CD1 LEU A 56 68.638 -8.694 -3.932 1.00 0.00 C ATOM 886 CD2 LEU A 56 69.609 -10.677 -2.768 1.00 0.00 C ATOM 0 HA LEU A 56 68.208 -12.882 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.703 -10.234 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.098 -11.039 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 56 69.347 -10.485 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.617 -8.215 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 56 68.069 -8.360 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 56 68.103 -8.424 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 56 70.589 -10.199 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 56 69.073 -10.404 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 56 69.733 -11.759 -2.805 1.00 0.00 H new ATOM 898 N SER A 57 65.308 -12.532 -5.710 1.00 0.00 N ATOM 899 CA SER A 57 63.966 -13.095 -5.816 1.00 0.00 C ATOM 900 C SER A 57 64.035 -14.601 -6.039 1.00 0.00 C ATOM 901 O SER A 57 63.137 -15.342 -5.637 1.00 0.00 O ATOM 902 CB SER A 57 63.216 -12.438 -6.975 1.00 0.00 C ATOM 903 OG SER A 57 61.823 -12.441 -6.695 1.00 0.00 O ATOM 0 H SER A 57 65.548 -11.866 -6.444 1.00 0.00 H new ATOM 0 HA SER A 57 63.435 -12.902 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 57 63.568 -11.416 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 57 63.413 -12.976 -7.902 1.00 0.00 H new ATOM 0 HG SER A 57 61.340 -12.019 -7.436 1.00 0.00 H new ATOM 909 N ASP A 58 65.110 -15.047 -6.682 1.00 0.00 N ATOM 910 CA ASP A 58 65.292 -16.468 -6.957 1.00 0.00 C ATOM 911 C ASP A 58 65.330 -17.265 -5.657 1.00 0.00 C ATOM 912 O ASP A 58 65.256 -18.495 -5.670 1.00 0.00 O ATOM 913 CB ASP A 58 66.592 -16.687 -7.732 1.00 0.00 C ATOM 914 CG ASP A 58 66.491 -17.955 -8.571 1.00 0.00 C ATOM 915 OD1 ASP A 58 66.038 -18.958 -8.043 1.00 0.00 O ATOM 916 OD2 ASP A 58 66.870 -17.908 -9.731 1.00 0.00 O ATOM 0 H ASP A 58 65.864 -14.449 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 58 64.450 -16.814 -7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 58 66.790 -15.830 -8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 58 67.430 -16.765 -7.039 1.00 0.00 H new ATOM 921 N TYR A 59 65.448 -16.560 -4.537 1.00 0.00 N ATOM 922 CA TYR A 59 65.493 -17.213 -3.235 1.00 0.00 C ATOM 923 C TYR A 59 64.083 -17.477 -2.725 1.00 0.00 C ATOM 924 O TYR A 59 63.895 -18.016 -1.634 1.00 0.00 O ATOM 925 CB TYR A 59 66.243 -16.334 -2.233 1.00 0.00 C ATOM 926 CG TYR A 59 67.001 -17.209 -1.266 1.00 0.00 C ATOM 927 CD1 TYR A 59 66.429 -17.556 -0.036 1.00 0.00 C ATOM 928 CD2 TYR A 59 68.279 -17.674 -1.599 1.00 0.00 C ATOM 929 CE1 TYR A 59 67.133 -18.367 0.860 1.00 0.00 C ATOM 930 CE2 TYR A 59 68.984 -18.487 -0.702 1.00 0.00 C ATOM 931 CZ TYR A 59 68.411 -18.834 0.527 1.00 0.00 C ATOM 932 OH TYR A 59 69.105 -19.633 1.411 1.00 0.00 O ATOM 0 H TYR A 59 65.514 -15.543 -4.505 1.00 0.00 H new ATOM 0 HA TYR A 59 66.015 -18.164 -3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 59 66.932 -15.672 -2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 59 65.541 -15.700 -1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 59 65.443 -17.197 0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 59 68.721 -17.406 -2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 59 66.691 -18.633 1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 59 69.970 -18.846 -0.959 1.00 0.00 H new ATOM 0 HH TYR A 59 69.974 -19.870 1.025 1.00 0.00 H new ATOM 942 N ASN A 60 63.095 -17.094 -3.525 1.00 0.00 N ATOM 943 CA ASN A 60 61.700 -17.292 -3.155 1.00 0.00 C ATOM 944 C ASN A 60 61.387 -16.600 -1.832 1.00 0.00 C ATOM 945 O ASN A 60 60.827 -17.209 -0.920 1.00 0.00 O ATOM 946 CB ASN A 60 61.396 -18.786 -3.036 1.00 0.00 C ATOM 947 CG ASN A 60 61.827 -19.509 -4.309 1.00 0.00 C ATOM 948 OD1 ASN A 60 60.990 -19.834 -5.152 1.00 0.00 O ATOM 949 ND2 ASN A 60 63.088 -19.781 -4.499 1.00 0.00 N ATOM 0 H ASN A 60 63.234 -16.646 -4.431 1.00 0.00 H new ATOM 0 HA ASN A 60 61.076 -16.855 -3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.918 -19.204 -2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.330 -18.936 -2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 60 63.383 -20.264 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 60 63.779 -19.511 -3.799 1.00 0.00 H new ATOM 956 N ILE A 61 61.747 -15.323 -1.735 1.00 0.00 N ATOM 957 CA ILE A 61 61.492 -14.561 -0.519 1.00 0.00 C ATOM 958 C ILE A 61 60.099 -14.872 0.018 1.00 0.00 C ATOM 959 O ILE A 61 59.146 -15.015 -0.747 1.00 0.00 O ATOM 960 CB ILE A 61 61.611 -13.062 -0.807 1.00 0.00 C ATOM 961 CG1 ILE A 61 62.889 -12.798 -1.606 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.666 -12.289 0.514 1.00 0.00 C ATOM 963 CD1 ILE A 61 63.314 -11.340 -1.422 1.00 0.00 C ATOM 0 H ILE A 61 62.212 -14.799 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 61 62.231 -14.843 0.231 1.00 0.00 H new ATOM 0 HB ILE A 61 60.746 -12.733 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.684 -13.465 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.720 -13.008 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.751 -11.222 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.756 -12.477 1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 61 62.530 -12.617 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.224 -11.152 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.521 -10.682 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.500 -11.146 -0.366 1.00 0.00 H new ATOM 975 N GLN A 62 59.990 -14.980 1.337 1.00 0.00 N ATOM 976 CA GLN A 62 58.708 -15.278 1.964 1.00 0.00 C ATOM 977 C GLN A 62 58.031 -13.997 2.437 1.00 0.00 C ATOM 978 O GLN A 62 58.586 -12.906 2.306 1.00 0.00 O ATOM 979 CB GLN A 62 58.916 -16.218 3.153 1.00 0.00 C ATOM 980 CG GLN A 62 59.549 -17.526 2.667 1.00 0.00 C ATOM 981 CD GLN A 62 60.254 -18.225 3.825 1.00 0.00 C ATOM 982 OE1 GLN A 62 60.985 -19.191 3.617 1.00 0.00 O ATOM 983 NE2 GLN A 62 60.078 -17.787 5.043 1.00 0.00 N ATOM 0 H GLN A 62 60.767 -14.867 1.988 1.00 0.00 H new ATOM 0 HA GLN A 62 58.067 -15.761 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.558 -15.745 3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 62 57.962 -16.422 3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 62 58.782 -18.178 2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 62 60.261 -17.320 1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 62 59.471 -16.985 5.214 1.00 0.00 H new ATOM 0 HE22 GLN A 62 60.548 -18.247 5.823 1.00 0.00 H new ATOM 992 N LYS A 63 56.831 -14.136 2.990 1.00 0.00 N ATOM 993 CA LYS A 63 56.089 -12.978 3.480 1.00 0.00 C ATOM 994 C LYS A 63 56.442 -12.692 4.935 1.00 0.00 C ATOM 995 O LYS A 63 57.068 -13.513 5.606 1.00 0.00 O ATOM 996 CB LYS A 63 54.578 -13.213 3.352 1.00 0.00 C ATOM 997 CG LYS A 63 54.259 -14.706 3.472 1.00 0.00 C ATOM 998 CD LYS A 63 54.780 -15.234 4.807 1.00 0.00 C ATOM 999 CE LYS A 63 54.000 -16.490 5.199 1.00 0.00 C ATOM 1000 NZ LYS A 63 52.595 -16.119 5.530 1.00 0.00 N ATOM 0 H LYS A 63 56.354 -15.030 3.110 1.00 0.00 H new ATOM 0 HA LYS A 63 56.367 -12.117 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.050 -12.658 4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.224 -12.835 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 63 53.183 -14.865 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.717 -15.254 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 63 55.843 -15.463 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 54.673 -14.471 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 63 54.014 -17.210 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 63 54.472 -16.972 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 52.203 -16.810 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 52.578 -15.171 5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 52.023 -16.117 4.662 1.00 0.00 H new ATOM 1014 N GLU A 64 56.040 -11.521 5.417 1.00 0.00 N ATOM 1015 CA GLU A 64 56.319 -11.132 6.795 1.00 0.00 C ATOM 1016 C GLU A 64 57.820 -11.172 7.066 1.00 0.00 C ATOM 1017 O GLU A 64 58.257 -11.056 8.211 1.00 0.00 O ATOM 1018 CB GLU A 64 55.602 -12.073 7.765 1.00 0.00 C ATOM 1019 CG GLU A 64 54.454 -11.328 8.448 1.00 0.00 C ATOM 1020 CD GLU A 64 53.460 -10.828 7.405 1.00 0.00 C ATOM 1021 OE1 GLU A 64 52.582 -10.065 7.772 1.00 0.00 O ATOM 1022 OE2 GLU A 64 53.590 -11.217 6.257 1.00 0.00 O ATOM 0 H GLU A 64 55.522 -10.827 4.877 1.00 0.00 H new ATOM 0 HA GLU A 64 55.956 -10.115 6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 64 55.218 -12.941 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 64 56.303 -12.445 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 64 53.951 -11.988 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 64 54.845 -10.487 9.021 1.00 0.00 H new ATOM 1029 N SER A 65 58.604 -11.335 6.005 1.00 0.00 N ATOM 1030 CA SER A 65 60.055 -11.389 6.141 1.00 0.00 C ATOM 1031 C SER A 65 60.634 -9.985 6.278 1.00 0.00 C ATOM 1032 O SER A 65 60.264 -9.074 5.536 1.00 0.00 O ATOM 1033 CB SER A 65 60.668 -12.079 4.922 1.00 0.00 C ATOM 1034 OG SER A 65 61.133 -13.370 5.297 1.00 0.00 O ATOM 0 H SER A 65 58.262 -11.431 5.049 1.00 0.00 H new ATOM 0 HA SER A 65 60.296 -11.957 7.039 1.00 0.00 H new ATOM 0 HB2 SER A 65 59.927 -12.163 4.127 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.492 -11.483 4.528 1.00 0.00 H new ATOM 0 HG SER A 65 61.525 -13.816 4.517 1.00 0.00 H new ATOM 1040 N THR A 66 61.544 -9.815 7.233 1.00 0.00 N ATOM 1041 CA THR A 66 62.168 -8.516 7.458 1.00 0.00 C ATOM 1042 C THR A 66 63.451 -8.390 6.643 1.00 0.00 C ATOM 1043 O THR A 66 64.440 -9.071 6.916 1.00 0.00 O ATOM 1044 CB THR A 66 62.485 -8.342 8.945 1.00 0.00 C ATOM 1045 OG1 THR A 66 61.391 -8.812 9.721 1.00 0.00 O ATOM 1046 CG2 THR A 66 62.728 -6.862 9.248 1.00 0.00 C ATOM 0 H THR A 66 61.863 -10.554 7.859 1.00 0.00 H new ATOM 0 HA THR A 66 61.473 -7.738 7.141 1.00 0.00 H new ATOM 0 HB THR A 66 63.379 -8.913 9.194 1.00 0.00 H new ATOM 0 HG1 THR A 66 61.594 -8.702 10.673 1.00 0.00 H new ATOM 0 HG21 THR A 66 62.954 -6.740 10.307 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.568 -6.502 8.654 1.00 0.00 H new ATOM 0 HG23 THR A 66 61.835 -6.288 8.999 1.00 0.00 H new ATOM 1054 N LEU A 67 63.427 -7.517 5.642 1.00 0.00 N ATOM 1055 CA LEU A 67 64.595 -7.309 4.792 1.00 0.00 C ATOM 1056 C LEU A 67 65.379 -6.082 5.246 1.00 0.00 C ATOM 1057 O LEU A 67 64.809 -5.128 5.773 1.00 0.00 O ATOM 1058 CB LEU A 67 64.180 -7.142 3.326 1.00 0.00 C ATOM 1059 CG LEU A 67 63.560 -8.441 2.784 1.00 0.00 C ATOM 1060 CD1 LEU A 67 64.546 -9.604 2.906 1.00 0.00 C ATOM 1061 CD2 LEU A 67 62.283 -8.775 3.560 1.00 0.00 C ATOM 0 H LEU A 67 62.618 -6.945 5.400 1.00 0.00 H new ATOM 0 HA LEU A 67 65.231 -8.190 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 67 63.463 -6.326 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 67 65.048 -6.870 2.726 1.00 0.00 H new ATOM 0 HG LEU A 67 63.320 -8.291 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 67 64.087 -10.513 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 67 65.446 -9.379 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 67 64.808 -9.750 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 67 61.851 -9.696 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 67 62.522 -8.905 4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 67 61.566 -7.962 3.448 1.00 0.00 H new ATOM 1073 N HIS A 68 66.694 -6.126 5.051 1.00 0.00 N ATOM 1074 CA HIS A 68 67.555 -5.020 5.458 1.00 0.00 C ATOM 1075 C HIS A 68 67.830 -4.085 4.284 1.00 0.00 C ATOM 1076 O HIS A 68 68.327 -4.508 3.240 1.00 0.00 O ATOM 1077 CB HIS A 68 68.882 -5.572 5.985 1.00 0.00 C ATOM 1078 CG HIS A 68 68.609 -6.638 7.010 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.871 -7.772 6.717 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.967 -6.754 8.331 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.808 -8.518 7.835 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.461 -7.943 8.850 1.00 0.00 N ATOM 0 H HIS A 68 67.183 -6.909 4.617 1.00 0.00 H new ATOM 0 HA HIS A 68 67.046 -4.458 6.241 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.469 -5.984 5.164 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.472 -4.769 6.427 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.552 -6.033 8.883 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.293 -9.465 7.904 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.566 -8.299 9.800 1.00 0.00 H new ATOM 1090 N LEU A 69 67.496 -2.811 4.471 1.00 0.00 N ATOM 1091 CA LEU A 69 67.700 -1.804 3.434 1.00 0.00 C ATOM 1092 C LEU A 69 68.777 -0.813 3.865 1.00 0.00 C ATOM 1093 O LEU A 69 68.586 -0.054 4.814 1.00 0.00 O ATOM 1094 CB LEU A 69 66.381 -1.062 3.175 1.00 0.00 C ATOM 1095 CG LEU A 69 66.619 0.172 2.294 1.00 0.00 C ATOM 1096 CD1 LEU A 69 67.429 -0.217 1.054 1.00 0.00 C ATOM 1097 CD2 LEU A 69 65.269 0.740 1.853 1.00 0.00 C ATOM 0 H LEU A 69 67.083 -2.451 5.331 1.00 0.00 H new ATOM 0 HA LEU A 69 68.026 -2.296 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.671 -1.731 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 69 65.936 -0.759 4.123 1.00 0.00 H new ATOM 0 HG LEU A 69 67.172 0.919 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 69 67.593 0.665 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 69 68.390 -0.628 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 69 66.881 -0.965 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.430 1.617 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.724 -0.015 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.689 1.023 2.731 1.00 0.00 H new ATOM 1109 N VAL A 70 69.905 -0.820 3.160 1.00 0.00 N ATOM 1110 CA VAL A 70 71.001 0.089 3.478 1.00 0.00 C ATOM 1111 C VAL A 70 71.078 1.208 2.448 1.00 0.00 C ATOM 1112 O VAL A 70 70.804 0.996 1.266 1.00 0.00 O ATOM 1113 CB VAL A 70 72.326 -0.671 3.505 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.370 0.148 4.266 1.00 0.00 C ATOM 1115 CG2 VAL A 70 72.124 -2.014 4.208 1.00 0.00 C ATOM 0 H VAL A 70 70.083 -1.440 2.370 1.00 0.00 H new ATOM 0 HA VAL A 70 70.814 0.521 4.461 1.00 0.00 H new ATOM 0 HB VAL A 70 72.670 -0.839 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.315 -0.395 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.513 1.108 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.027 0.316 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.068 -2.559 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.781 -1.843 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.379 -2.599 3.668 1.00 0.00 H new ATOM 1125 N LEU A 71 71.444 2.398 2.910 1.00 0.00 N ATOM 1126 CA LEU A 71 71.552 3.557 2.033 1.00 0.00 C ATOM 1127 C LEU A 71 72.966 4.142 2.106 1.00 0.00 C ATOM 1128 O LEU A 71 73.544 4.276 3.184 1.00 0.00 O ATOM 1129 CB LEU A 71 70.453 4.575 2.410 1.00 0.00 C ATOM 1130 CG LEU A 71 71.022 5.835 3.071 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.681 6.718 2.013 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.874 6.612 3.719 1.00 0.00 C ATOM 0 H LEU A 71 71.671 2.585 3.887 1.00 0.00 H new ATOM 0 HA LEU A 71 71.392 3.271 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.900 4.857 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.742 4.103 3.088 1.00 0.00 H new ATOM 0 HG LEU A 71 71.761 5.553 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.085 7.613 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.488 6.167 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 71 70.941 7.005 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 71 70.266 7.512 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.147 6.891 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.390 5.987 4.470 1.00 0.00 H new ATOM 1144 N ARG A 72 73.527 4.459 0.939 1.00 0.00 N ATOM 1145 CA ARG A 72 74.882 5.002 0.867 1.00 0.00 C ATOM 1146 C ARG A 72 74.903 6.473 1.263 1.00 0.00 C ATOM 1147 O ARG A 72 74.390 7.328 0.542 1.00 0.00 O ATOM 1148 CB ARG A 72 75.427 4.854 -0.556 1.00 0.00 C ATOM 1149 CG ARG A 72 76.479 3.745 -0.590 1.00 0.00 C ATOM 1150 CD ARG A 72 75.851 2.424 -0.145 1.00 0.00 C ATOM 1151 NE ARG A 72 76.331 1.331 -0.982 1.00 0.00 N ATOM 1152 CZ ARG A 72 75.939 1.212 -2.245 1.00 0.00 C ATOM 1153 NH1 ARG A 72 76.392 0.233 -2.981 1.00 0.00 N ATOM 1154 NH2 ARG A 72 75.101 2.073 -2.754 1.00 0.00 N ATOM 0 H ARG A 72 73.066 4.350 0.035 1.00 0.00 H new ATOM 0 HA ARG A 72 75.508 4.444 1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 72 74.615 4.620 -1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 72 75.865 5.795 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 72 76.883 3.645 -1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 72 77.312 4.001 0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 72 76.099 2.228 0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 72 74.765 2.490 -0.208 1.00 0.00 H new ATOM 0 HE ARG A 72 76.978 0.647 -0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 72 77.048 -0.441 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 72 76.090 0.142 -3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 72 74.746 2.839 -2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 72 74.801 1.980 -3.724 1.00 0.00 H new