USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 694 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 22 MET CE :methyl -148:sc= -6.3! (180deg=-10.3!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 144:sc= 0.68 (180deg=-0.149) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -6.52! C(o=-6.5!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -2.22! C(o=-2.2!,f=-3.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -5.04! C(o=-6.3!,f=-5!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -2.45 F(o=-3.8!,f=-2.5) USER MOD Single : A 46 HIS :FLIP no HE2:sc= 0.543 F(o=-2.1!,f=0.54) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -6.12! C(o=-11!,f=-6.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 82 ASN : amide:sc= -0.163 K(o=-0.16,f=-1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -15:sc= -2.05! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -2.430 16.224 3.284 1.00 0.00 N ATOM 2 CA GLY A 17 -1.423 16.277 4.383 1.00 0.00 C ATOM 3 C GLY A 17 -0.119 15.630 3.911 1.00 0.00 C ATOM 4 O GLY A 17 0.929 16.246 3.920 1.00 0.00 O ATOM 0 HA2 GLY A 17 -1.243 17.311 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.802 15.757 5.263 1.00 0.00 H new ATOM 10 N GLU A 18 -0.174 14.393 3.497 1.00 0.00 N ATOM 11 CA GLU A 18 1.065 13.711 3.022 1.00 0.00 C ATOM 12 C GLU A 18 0.836 13.099 1.638 1.00 0.00 C ATOM 13 O GLU A 18 -0.269 13.074 1.135 1.00 0.00 O ATOM 14 CB GLU A 18 1.344 12.617 4.052 1.00 0.00 C ATOM 15 CG GLU A 18 1.993 13.232 5.293 1.00 0.00 C ATOM 16 CD GLU A 18 2.594 12.122 6.157 1.00 0.00 C ATOM 17 OE1 GLU A 18 1.829 11.412 6.790 1.00 0.00 O ATOM 18 OE2 GLU A 18 3.808 12.002 6.173 1.00 0.00 O ATOM 0 H GLU A 18 -1.021 13.826 3.467 1.00 0.00 H new ATOM 0 HA GLU A 18 1.902 14.403 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.415 12.116 4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.001 11.860 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.769 13.939 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.252 13.792 5.864 1.00 0.00 H new ATOM 25 N GLU A 19 1.879 12.609 1.023 1.00 0.00 N ATOM 26 CA GLU A 19 1.743 11.995 -0.329 1.00 0.00 C ATOM 27 C GLU A 19 0.443 11.195 -0.426 1.00 0.00 C ATOM 28 O GLU A 19 -0.173 11.108 -1.469 1.00 0.00 O ATOM 29 CB GLU A 19 2.951 11.070 -0.448 1.00 0.00 C ATOM 30 CG GLU A 19 4.159 11.868 -0.938 1.00 0.00 C ATOM 31 CD GLU A 19 4.817 12.573 0.250 1.00 0.00 C ATOM 32 OE1 GLU A 19 5.469 11.896 1.028 1.00 0.00 O ATOM 33 OE2 GLU A 19 4.658 13.778 0.360 1.00 0.00 O ATOM 0 H GLU A 19 2.826 12.608 1.402 1.00 0.00 H new ATOM 0 HA GLU A 19 1.709 12.740 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.170 10.615 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.733 10.258 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.875 11.204 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.847 12.600 -1.683 1.00 0.00 H new ATOM 40 N PHE A 20 0.028 10.607 0.658 1.00 0.00 N ATOM 41 CA PHE A 20 -1.226 9.804 0.645 1.00 0.00 C ATOM 42 C PHE A 20 -2.227 10.368 1.665 1.00 0.00 C ATOM 43 O PHE A 20 -1.906 11.252 2.434 1.00 0.00 O ATOM 44 CB PHE A 20 -0.767 8.394 1.017 1.00 0.00 C ATOM 45 CG PHE A 20 0.238 7.927 -0.015 1.00 0.00 C ATOM 46 CD1 PHE A 20 -0.205 7.264 -1.168 1.00 0.00 C ATOM 47 CD2 PHE A 20 1.613 8.167 0.171 1.00 0.00 C ATOM 48 CE1 PHE A 20 0.717 6.845 -2.132 1.00 0.00 C ATOM 49 CE2 PHE A 20 2.529 7.742 -0.796 1.00 0.00 C ATOM 50 CZ PHE A 20 2.084 7.083 -1.947 1.00 0.00 C ATOM 0 H PHE A 20 0.505 10.648 1.558 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.741 9.821 -0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.318 8.392 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.619 7.715 1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.259 7.077 -1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.959 8.678 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.374 6.337 -3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.584 7.923 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.795 6.758 -2.692 1.00 0.00 H new ATOM 60 N ARG A 21 -3.445 9.886 1.665 1.00 0.00 N ATOM 61 CA ARG A 21 -4.459 10.427 2.624 1.00 0.00 C ATOM 62 C ARG A 21 -4.406 9.700 3.969 1.00 0.00 C ATOM 63 O ARG A 21 -4.339 10.316 5.015 1.00 0.00 O ATOM 64 CB ARG A 21 -5.813 10.183 1.960 1.00 0.00 C ATOM 65 CG ARG A 21 -5.960 11.096 0.746 1.00 0.00 C ATOM 66 CD ARG A 21 -5.411 10.377 -0.483 1.00 0.00 C ATOM 67 NE ARG A 21 -5.748 11.263 -1.631 1.00 0.00 N ATOM 68 CZ ARG A 21 -6.991 11.599 -1.856 1.00 0.00 C ATOM 69 NH1 ARG A 21 -7.538 12.568 -1.176 1.00 0.00 N ATOM 70 NH2 ARG A 21 -7.683 10.967 -2.762 1.00 0.00 N ATOM 0 H ARG A 21 -3.780 9.147 1.047 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.275 11.481 2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.897 9.140 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.617 10.374 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.008 11.355 0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.421 12.029 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.334 10.226 -0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.863 9.392 -0.599 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.008 11.608 -2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.996 13.064 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.508 12.830 -1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.255 10.210 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.653 11.229 -2.938 1.00 0.00 H new ATOM 84 N MET A 22 -4.462 8.397 3.956 1.00 0.00 N ATOM 85 CA MET A 22 -4.442 7.641 5.241 1.00 0.00 C ATOM 86 C MET A 22 -3.020 7.536 5.789 1.00 0.00 C ATOM 87 O MET A 22 -2.056 7.830 5.109 1.00 0.00 O ATOM 88 CB MET A 22 -4.979 6.256 4.892 1.00 0.00 C ATOM 89 CG MET A 22 -6.322 6.394 4.174 1.00 0.00 C ATOM 90 SD MET A 22 -7.063 4.758 3.981 1.00 0.00 S ATOM 91 CE MET A 22 -7.148 4.755 2.176 1.00 0.00 C ATOM 0 H MET A 22 -4.521 7.824 3.114 1.00 0.00 H new ATOM 0 HA MET A 22 -5.036 8.134 6.010 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.268 5.728 4.257 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.099 5.662 5.798 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.987 7.043 4.743 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.180 6.860 3.199 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.017 4.181 1.854 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.235 5.779 1.814 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.243 4.303 1.770 1.00 0.00 H new ATOM 101 N GLU A 23 -2.886 7.120 7.016 1.00 0.00 N ATOM 102 CA GLU A 23 -1.530 6.998 7.614 1.00 0.00 C ATOM 103 C GLU A 23 -0.892 5.665 7.217 1.00 0.00 C ATOM 104 O GLU A 23 0.272 5.429 7.470 1.00 0.00 O ATOM 105 CB GLU A 23 -1.754 7.063 9.122 1.00 0.00 C ATOM 106 CG GLU A 23 -0.471 6.654 9.846 1.00 0.00 C ATOM 107 CD GLU A 23 -0.546 7.098 11.308 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.760 8.277 11.538 1.00 0.00 O ATOM 109 OE2 GLU A 23 -0.388 6.252 12.172 1.00 0.00 O ATOM 0 H GLU A 23 -3.657 6.859 7.630 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.856 7.782 7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.043 8.072 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.572 6.402 9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.338 5.574 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.393 7.108 9.361 1.00 0.00 H new ATOM 116 N LYS A 24 -1.635 4.794 6.587 1.00 0.00 N ATOM 117 CA LYS A 24 -1.033 3.490 6.170 1.00 0.00 C ATOM 118 C LYS A 24 -0.215 3.700 4.892 1.00 0.00 C ATOM 119 O LYS A 24 0.888 3.201 4.761 1.00 0.00 O ATOM 120 CB LYS A 24 -2.195 2.508 5.935 1.00 0.00 C ATOM 121 CG LYS A 24 -3.383 3.207 5.269 1.00 0.00 C ATOM 122 CD LYS A 24 -4.070 2.239 4.305 1.00 0.00 C ATOM 123 CE LYS A 24 -5.458 1.883 4.842 1.00 0.00 C ATOM 124 NZ LYS A 24 -5.312 0.510 5.402 1.00 0.00 N ATOM 0 H LYS A 24 -2.617 4.924 6.345 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.363 3.091 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.857 1.683 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.509 2.078 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.090 3.546 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.043 4.092 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.156 2.692 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.470 1.336 4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.779 2.590 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.207 1.909 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.224 0.195 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.012 -0.142 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.598 0.518 6.158 1.00 0.00 H new ATOM 138 N LEU A 25 -0.725 4.464 3.963 1.00 0.00 N ATOM 139 CA LEU A 25 0.044 4.731 2.720 1.00 0.00 C ATOM 140 C LEU A 25 1.148 5.722 3.046 1.00 0.00 C ATOM 141 O LEU A 25 2.252 5.624 2.565 1.00 0.00 O ATOM 142 CB LEU A 25 -0.952 5.353 1.748 1.00 0.00 C ATOM 143 CG LEU A 25 -2.115 4.393 1.478 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.723 4.734 0.123 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.626 2.939 1.450 1.00 0.00 C ATOM 0 H LEU A 25 -1.640 4.913 4.014 1.00 0.00 H new ATOM 0 HA LEU A 25 0.497 3.833 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.333 6.288 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.450 5.597 0.812 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.853 4.499 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.553 4.058 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.086 5.762 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.965 4.626 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.469 2.275 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.883 2.820 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.179 2.687 2.412 1.00 0.00 H new ATOM 157 N ASN A 26 0.849 6.670 3.880 1.00 0.00 N ATOM 158 CA ASN A 26 1.877 7.668 4.272 1.00 0.00 C ATOM 159 C ASN A 26 3.024 6.952 4.983 1.00 0.00 C ATOM 160 O ASN A 26 4.177 7.111 4.642 1.00 0.00 O ATOM 161 CB ASN A 26 1.160 8.615 5.236 1.00 0.00 C ATOM 162 CG ASN A 26 0.495 9.731 4.437 1.00 0.00 C ATOM 163 OD1 ASN A 26 0.975 10.104 3.392 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.600 10.281 4.885 1.00 0.00 N ATOM 0 H ASN A 26 -0.067 6.799 4.310 1.00 0.00 H new ATOM 0 HA ASN A 26 2.297 8.202 3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.413 8.070 5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.870 9.034 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.051 11.026 4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.005 9.966 5.767 1.00 0.00 H new ATOM 171 N GLN A 27 2.700 6.159 5.970 1.00 0.00 N ATOM 172 CA GLN A 27 3.748 5.414 6.726 1.00 0.00 C ATOM 173 C GLN A 27 4.496 4.444 5.806 1.00 0.00 C ATOM 174 O GLN A 27 5.689 4.264 5.926 1.00 0.00 O ATOM 175 CB GLN A 27 2.981 4.639 7.797 1.00 0.00 C ATOM 176 CG GLN A 27 2.705 5.545 9.000 1.00 0.00 C ATOM 177 CD GLN A 27 2.176 4.699 10.161 1.00 0.00 C ATOM 178 OE1 GLN A 27 1.111 4.122 10.072 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.885 4.595 11.252 1.00 0.00 N ATOM 0 H GLN A 27 1.745 5.994 6.287 1.00 0.00 H new ATOM 0 HA GLN A 27 4.496 6.083 7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.042 4.268 7.387 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.557 3.769 8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.618 6.061 9.298 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.978 6.312 8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.779 5.079 11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.545 4.029 12.029 1.00 0.00 H new ATOM 188 N LEU A 28 3.808 3.806 4.897 1.00 0.00 N ATOM 189 CA LEU A 28 4.499 2.844 3.989 1.00 0.00 C ATOM 190 C LEU A 28 5.474 3.576 3.069 1.00 0.00 C ATOM 191 O LEU A 28 6.624 3.209 2.947 1.00 0.00 O ATOM 192 CB LEU A 28 3.382 2.193 3.167 1.00 0.00 C ATOM 193 CG LEU A 28 3.391 0.681 3.388 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.402 0.320 4.497 1.00 0.00 C ATOM 195 CD2 LEU A 28 2.980 -0.017 2.089 1.00 0.00 C ATOM 0 H LEU A 28 2.805 3.908 4.744 1.00 0.00 H new ATOM 0 HA LEU A 28 5.081 2.110 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.416 2.606 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.519 2.416 2.109 1.00 0.00 H new ATOM 0 HG LEU A 28 4.391 0.358 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.409 -0.759 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.691 0.823 5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.400 0.638 4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.984 -1.097 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.979 0.306 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.684 0.242 1.298 1.00 0.00 H new ATOM 207 N TRP A 29 5.019 4.602 2.421 1.00 0.00 N ATOM 208 CA TRP A 29 5.900 5.366 1.502 1.00 0.00 C ATOM 209 C TRP A 29 7.089 5.953 2.271 1.00 0.00 C ATOM 210 O TRP A 29 8.238 5.676 1.970 1.00 0.00 O ATOM 211 CB TRP A 29 4.981 6.457 0.966 1.00 0.00 C ATOM 212 CG TRP A 29 5.766 7.471 0.221 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.773 8.787 0.499 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.638 7.277 -0.922 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.607 9.427 -0.405 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.164 8.532 -1.303 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.021 6.141 -1.655 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.043 8.654 -2.381 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.901 6.259 -2.738 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.411 7.511 -3.101 1.00 0.00 C ATOM 0 H TRP A 29 4.063 4.950 2.488 1.00 0.00 H new ATOM 0 HA TRP A 29 6.335 4.761 0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.227 6.018 0.312 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.450 6.932 1.791 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.221 9.266 1.294 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.788 10.431 -0.408 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.634 5.170 -1.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.436 9.622 -2.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.188 5.380 -3.296 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.089 7.595 -3.937 1.00 0.00 H new ATOM 231 N GLU A 30 6.830 6.752 3.269 1.00 0.00 N ATOM 232 CA GLU A 30 7.951 7.332 4.051 1.00 0.00 C ATOM 233 C GLU A 30 8.865 6.207 4.527 1.00 0.00 C ATOM 234 O GLU A 30 10.074 6.313 4.485 1.00 0.00 O ATOM 235 CB GLU A 30 7.295 8.034 5.235 1.00 0.00 C ATOM 236 CG GLU A 30 6.349 7.068 5.944 1.00 0.00 C ATOM 237 CD GLU A 30 7.076 6.399 7.113 1.00 0.00 C ATOM 238 OE1 GLU A 30 8.288 6.524 7.181 1.00 0.00 O ATOM 239 OE2 GLU A 30 6.409 5.773 7.920 1.00 0.00 O ATOM 0 H GLU A 30 5.896 7.026 3.573 1.00 0.00 H new ATOM 0 HA GLU A 30 8.559 8.024 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.058 8.387 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.746 8.911 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.472 7.604 6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.994 6.312 5.244 1.00 0.00 H new ATOM 246 N LYS A 31 8.294 5.114 4.954 1.00 0.00 N ATOM 247 CA LYS A 31 9.127 3.969 5.401 1.00 0.00 C ATOM 248 C LYS A 31 10.114 3.641 4.276 1.00 0.00 C ATOM 249 O LYS A 31 11.317 3.604 4.468 1.00 0.00 O ATOM 250 CB LYS A 31 8.103 2.850 5.641 1.00 0.00 C ATOM 251 CG LYS A 31 8.734 1.468 5.482 1.00 0.00 C ATOM 252 CD LYS A 31 8.769 0.775 6.840 1.00 0.00 C ATOM 253 CE LYS A 31 10.185 0.853 7.398 1.00 0.00 C ATOM 254 NZ LYS A 31 10.186 -0.048 8.585 1.00 0.00 N ATOM 0 H LYS A 31 7.286 4.967 5.012 1.00 0.00 H new ATOM 0 HA LYS A 31 9.722 4.144 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.685 2.947 6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.276 2.956 4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.161 0.873 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.743 1.560 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.067 1.252 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.460 -0.266 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.918 0.531 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.442 1.874 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.130 -0.045 9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.484 0.287 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.945 -1.015 8.287 1.00 0.00 H new ATOM 268 N ALA A 32 9.607 3.439 3.094 1.00 0.00 N ATOM 269 CA ALA A 32 10.489 3.156 1.937 1.00 0.00 C ATOM 270 C ALA A 32 11.606 4.196 1.882 1.00 0.00 C ATOM 271 O ALA A 32 12.766 3.867 1.732 1.00 0.00 O ATOM 272 CB ALA A 32 9.577 3.273 0.716 1.00 0.00 C ATOM 0 H ALA A 32 8.610 3.459 2.881 1.00 0.00 H new ATOM 0 HA ALA A 32 10.964 2.177 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.153 3.077 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.768 2.547 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.159 4.278 0.669 1.00 0.00 H new ATOM 278 N GLN A 33 11.267 5.451 2.017 1.00 0.00 N ATOM 279 CA GLN A 33 12.323 6.505 1.988 1.00 0.00 C ATOM 280 C GLN A 33 13.374 6.202 3.055 1.00 0.00 C ATOM 281 O GLN A 33 14.558 6.384 2.848 1.00 0.00 O ATOM 282 CB GLN A 33 11.602 7.812 2.307 1.00 0.00 C ATOM 283 CG GLN A 33 10.738 8.221 1.115 1.00 0.00 C ATOM 284 CD GLN A 33 9.656 9.191 1.580 1.00 0.00 C ATOM 285 OE1 GLN A 33 8.413 8.944 1.282 1.00 0.00 O flip ATOM 286 NE2 GLN A 33 9.944 10.184 2.218 1.00 0.00 N flip ATOM 0 H GLN A 33 10.313 5.790 2.145 1.00 0.00 H new ATOM 0 HA GLN A 33 12.834 6.555 1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.981 7.690 3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.327 8.595 2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.355 8.689 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.282 7.340 0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.918 10.376 2.451 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.211 10.826 2.521 1.00 0.00 H new ATOM 295 N ARG A 34 12.947 5.731 4.196 1.00 0.00 N ATOM 296 CA ARG A 34 13.917 5.404 5.278 1.00 0.00 C ATOM 297 C ARG A 34 14.767 4.205 4.862 1.00 0.00 C ATOM 298 O ARG A 34 15.910 4.082 5.250 1.00 0.00 O ATOM 299 CB ARG A 34 13.062 5.066 6.498 1.00 0.00 C ATOM 300 CG ARG A 34 13.677 5.711 7.742 1.00 0.00 C ATOM 301 CD ARG A 34 13.697 7.233 7.569 1.00 0.00 C ATOM 302 NE ARG A 34 13.972 7.773 8.930 1.00 0.00 N ATOM 303 CZ ARG A 34 14.183 9.049 9.093 1.00 0.00 C ATOM 304 NH1 ARG A 34 14.621 9.771 8.098 1.00 0.00 N ATOM 305 NH2 ARG A 34 13.956 9.606 10.252 1.00 0.00 N ATOM 0 H ARG A 34 11.968 5.559 4.425 1.00 0.00 H new ATOM 0 HA ARG A 34 14.601 6.226 5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.043 5.426 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.003 3.985 6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.101 5.442 8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.690 5.338 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.466 7.539 6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.745 7.599 7.184 1.00 0.00 H new ATOM 0 HE ARG A 34 13.995 7.145 9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.798 9.337 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.786 10.769 8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.613 9.043 11.030 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.121 10.604 10.379 1.00 0.00 H new ATOM 319 N LEU A 35 14.221 3.321 4.068 1.00 0.00 N ATOM 320 CA LEU A 35 15.018 2.138 3.625 1.00 0.00 C ATOM 321 C LEU A 35 16.107 2.572 2.637 1.00 0.00 C ATOM 322 O LEU A 35 16.906 1.774 2.193 1.00 0.00 O ATOM 323 CB LEU A 35 14.021 1.197 2.941 1.00 0.00 C ATOM 324 CG LEU A 35 12.807 0.931 3.846 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.254 -0.460 3.536 1.00 0.00 C ATOM 326 CD2 LEU A 35 13.207 0.985 5.324 1.00 0.00 C ATOM 0 H LEU A 35 13.267 3.365 3.710 1.00 0.00 H new ATOM 0 HA LEU A 35 15.518 1.652 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.689 1.635 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.512 0.255 2.698 1.00 0.00 H new ATOM 0 HG LEU A 35 12.055 1.697 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.392 -0.659 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.951 -0.506 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.024 -1.208 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.332 0.794 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.966 0.228 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.608 1.971 5.556 1.00 0.00 H new ATOM 338 N HIS A 36 16.142 3.836 2.299 1.00 0.00 N ATOM 339 CA HIS A 36 17.177 4.346 1.350 1.00 0.00 C ATOM 340 C HIS A 36 17.006 3.746 -0.049 1.00 0.00 C ATOM 341 O HIS A 36 17.906 3.804 -0.862 1.00 0.00 O ATOM 342 CB HIS A 36 18.526 3.934 1.947 1.00 0.00 C ATOM 343 CG HIS A 36 18.607 4.387 3.379 1.00 0.00 C ATOM 344 ND1 HIS A 36 18.349 3.741 4.561 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 19.008 5.668 3.728 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 18.587 4.602 5.629 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 18.981 5.749 5.072 1.00 0.00 N flip ATOM 0 H HIS A 36 15.492 4.542 2.643 1.00 0.00 H new ATOM 0 HA HIS A 36 17.095 5.426 1.230 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.644 2.852 1.891 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.339 4.374 1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 36 19.290 6.457 3.046 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.477 4.388 6.682 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.231 6.585 5.600 1.00 0.00 H new ATOM 355 N LEU A 37 15.863 3.186 -0.357 1.00 0.00 N ATOM 356 CA LEU A 37 15.682 2.619 -1.726 1.00 0.00 C ATOM 357 C LEU A 37 16.188 3.635 -2.755 1.00 0.00 C ATOM 358 O LEU A 37 16.262 4.813 -2.465 1.00 0.00 O ATOM 359 CB LEU A 37 14.168 2.440 -1.910 1.00 0.00 C ATOM 360 CG LEU A 37 13.612 1.354 -0.980 1.00 0.00 C ATOM 361 CD1 LEU A 37 12.089 1.313 -1.130 1.00 0.00 C ATOM 362 CD2 LEU A 37 14.174 -0.013 -1.371 1.00 0.00 C ATOM 0 H LEU A 37 15.062 3.098 0.268 1.00 0.00 H new ATOM 0 HA LEU A 37 16.223 1.681 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.662 3.385 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.955 2.177 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 37 13.895 1.582 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.679 0.545 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.670 2.282 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.831 1.083 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.772 -0.776 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.890 -0.243 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.261 0.004 -1.290 1.00 0.00 H new ATOM 374 N PRO A 38 16.487 3.165 -3.934 1.00 0.00 N ATOM 375 CA PRO A 38 16.934 4.075 -5.010 1.00 0.00 C ATOM 376 C PRO A 38 15.713 4.848 -5.523 1.00 0.00 C ATOM 377 O PRO A 38 14.611 4.614 -5.071 1.00 0.00 O ATOM 378 CB PRO A 38 17.499 3.132 -6.070 1.00 0.00 C ATOM 379 CG PRO A 38 16.824 1.821 -5.832 1.00 0.00 C ATOM 380 CD PRO A 38 16.446 1.767 -4.372 1.00 0.00 C ATOM 0 HA PRO A 38 17.674 4.815 -4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.295 3.502 -7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.581 3.040 -5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.939 1.725 -6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.488 0.995 -6.087 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.454 1.336 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.143 1.152 -3.803 1.00 0.00 H new ATOM 388 N PRO A 39 15.934 5.749 -6.437 1.00 0.00 N ATOM 389 CA PRO A 39 14.808 6.553 -6.979 1.00 0.00 C ATOM 390 C PRO A 39 13.837 5.663 -7.761 1.00 0.00 C ATOM 391 O PRO A 39 12.669 5.579 -7.440 1.00 0.00 O ATOM 392 CB PRO A 39 15.500 7.571 -7.880 1.00 0.00 C ATOM 393 CG PRO A 39 16.800 6.933 -8.247 1.00 0.00 C ATOM 394 CD PRO A 39 17.215 6.106 -7.059 1.00 0.00 C ATOM 0 HA PRO A 39 14.203 7.029 -6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.902 7.787 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.656 8.517 -7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.691 6.310 -9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.552 7.688 -8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.777 5.222 -7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.851 6.671 -6.377 1.00 0.00 H new ATOM 402 N VAL A 40 14.306 4.988 -8.770 1.00 0.00 N ATOM 403 CA VAL A 40 13.402 4.093 -9.552 1.00 0.00 C ATOM 404 C VAL A 40 12.561 3.247 -8.599 1.00 0.00 C ATOM 405 O VAL A 40 11.396 2.989 -8.827 1.00 0.00 O ATOM 406 CB VAL A 40 14.344 3.185 -10.334 1.00 0.00 C ATOM 407 CG1 VAL A 40 15.073 2.256 -9.358 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.533 2.348 -11.328 1.00 0.00 C ATOM 0 H VAL A 40 15.274 5.015 -9.090 1.00 0.00 H new ATOM 0 HA VAL A 40 12.721 4.650 -10.195 1.00 0.00 H new ATOM 0 HB VAL A 40 15.071 3.788 -10.877 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.748 1.604 -9.912 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.646 2.852 -8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.344 1.650 -8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.204 1.698 -11.889 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.808 1.741 -10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.009 3.009 -12.018 1.00 0.00 H new ATOM 418 N ARG A 41 13.168 2.808 -7.538 1.00 0.00 N ATOM 419 CA ARG A 41 12.458 1.962 -6.544 1.00 0.00 C ATOM 420 C ARG A 41 11.345 2.751 -5.864 1.00 0.00 C ATOM 421 O ARG A 41 10.224 2.297 -5.761 1.00 0.00 O ATOM 422 CB ARG A 41 13.545 1.594 -5.544 1.00 0.00 C ATOM 423 CG ARG A 41 14.012 0.164 -5.799 1.00 0.00 C ATOM 424 CD ARG A 41 14.158 -0.572 -4.472 1.00 0.00 C ATOM 425 NE ARG A 41 12.843 -1.219 -4.275 1.00 0.00 N ATOM 426 CZ ARG A 41 12.764 -2.520 -4.233 1.00 0.00 C ATOM 427 NH1 ARG A 41 13.306 -3.176 -3.243 1.00 0.00 N ATOM 428 NH2 ARG A 41 12.156 -3.167 -5.189 1.00 0.00 N ATOM 0 H ARG A 41 14.144 3.003 -7.313 1.00 0.00 H new ATOM 0 HA ARG A 41 11.982 1.090 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.385 2.283 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.164 1.687 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.296 -0.355 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.964 0.171 -6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.963 -1.306 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.391 0.115 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 41 12.002 -0.651 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.792 -2.671 -2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.244 -4.194 -3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.743 -2.655 -5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.094 -4.185 -5.157 1.00 0.00 H new ATOM 442 N LEU A 42 11.642 3.927 -5.398 1.00 0.00 N ATOM 443 CA LEU A 42 10.590 4.736 -4.728 1.00 0.00 C ATOM 444 C LEU A 42 9.572 5.205 -5.765 1.00 0.00 C ATOM 445 O LEU A 42 8.485 5.637 -5.436 1.00 0.00 O ATOM 446 CB LEU A 42 11.325 5.923 -4.120 1.00 0.00 C ATOM 447 CG LEU A 42 12.306 5.418 -3.068 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.636 6.151 -3.235 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.738 5.695 -1.671 1.00 0.00 C ATOM 0 H LEU A 42 12.563 4.363 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 42 10.046 4.173 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.857 6.473 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.613 6.615 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 42 12.461 4.346 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.344 5.796 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.035 5.959 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.480 7.222 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.437 5.335 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.588 6.767 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.784 5.180 -1.557 1.00 0.00 H new ATOM 461 N ALA A 43 9.913 5.111 -7.022 1.00 0.00 N ATOM 462 CA ALA A 43 8.960 5.534 -8.085 1.00 0.00 C ATOM 463 C ALA A 43 7.942 4.419 -8.311 1.00 0.00 C ATOM 464 O ALA A 43 6.748 4.643 -8.296 1.00 0.00 O ATOM 465 CB ALA A 43 9.815 5.750 -9.333 1.00 0.00 C ATOM 0 H ALA A 43 10.810 4.760 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 43 8.409 6.438 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.179 6.064 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.560 6.521 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.318 4.819 -9.595 1.00 0.00 H new ATOM 471 N GLU A 44 8.403 3.210 -8.493 1.00 0.00 N ATOM 472 CA GLU A 44 7.451 2.084 -8.686 1.00 0.00 C ATOM 473 C GLU A 44 6.637 1.917 -7.404 1.00 0.00 C ATOM 474 O GLU A 44 5.434 1.729 -7.427 1.00 0.00 O ATOM 475 CB GLU A 44 8.329 0.856 -8.938 1.00 0.00 C ATOM 476 CG GLU A 44 9.007 0.985 -10.302 1.00 0.00 C ATOM 477 CD GLU A 44 9.273 -0.410 -10.873 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.373 -0.962 -11.484 1.00 0.00 O ATOM 479 OE2 GLU A 44 10.373 -0.904 -10.686 1.00 0.00 O ATOM 0 H GLU A 44 9.391 2.957 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 44 6.754 2.242 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.080 0.766 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.724 -0.050 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.373 1.554 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.943 1.534 -10.204 1.00 0.00 H new ATOM 486 N LEU A 45 7.293 2.015 -6.280 1.00 0.00 N ATOM 487 CA LEU A 45 6.582 1.894 -4.982 1.00 0.00 C ATOM 488 C LEU A 45 5.522 2.991 -4.890 1.00 0.00 C ATOM 489 O LEU A 45 4.363 2.727 -4.652 1.00 0.00 O ATOM 490 CB LEU A 45 7.676 2.084 -3.922 1.00 0.00 C ATOM 491 CG LEU A 45 7.074 2.590 -2.604 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.331 1.447 -1.901 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.202 3.087 -1.700 1.00 0.00 C ATOM 0 H LEU A 45 8.298 2.175 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 45 6.068 0.941 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.193 1.139 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.420 2.794 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 45 6.376 3.401 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.905 1.811 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.532 1.082 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.027 0.635 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.783 3.449 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.893 2.269 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.735 3.898 -2.196 1.00 0.00 H new ATOM 505 N HIS A 46 5.910 4.223 -5.086 1.00 0.00 N ATOM 506 CA HIS A 46 4.918 5.329 -5.016 1.00 0.00 C ATOM 507 C HIS A 46 3.747 5.033 -5.949 1.00 0.00 C ATOM 508 O HIS A 46 2.607 5.288 -5.626 1.00 0.00 O ATOM 509 CB HIS A 46 5.661 6.583 -5.471 1.00 0.00 C ATOM 510 CG HIS A 46 4.888 7.789 -5.014 1.00 0.00 C ATOM 511 ND1 HIS A 46 4.976 8.559 -3.882 1.00 0.00 N flip ATOM 512 CD2 HIS A 46 3.847 8.323 -5.755 1.00 0.00 C flip ATOM 513 CE1 HIS A 46 4.005 9.555 -3.915 1.00 0.00 C flip ATOM 514 NE2 HIS A 46 3.352 9.366 -5.064 1.00 0.00 N flip ATOM 0 H HIS A 46 6.868 4.508 -5.291 1.00 0.00 H new ATOM 0 HA HIS A 46 4.512 5.451 -4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.668 6.599 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.765 6.589 -6.556 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.651 8.422 -3.130 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.497 7.967 -6.713 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.820 10.316 -3.172 1.00 0.00 H new ATOM 522 N ALA A 47 4.019 4.490 -7.103 1.00 0.00 N ATOM 523 CA ALA A 47 2.914 4.170 -8.046 1.00 0.00 C ATOM 524 C ALA A 47 1.976 3.147 -7.400 1.00 0.00 C ATOM 525 O ALA A 47 0.764 3.250 -7.480 1.00 0.00 O ATOM 526 CB ALA A 47 3.604 3.568 -9.275 1.00 0.00 C ATOM 0 H ALA A 47 4.955 4.255 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 47 2.315 5.042 -8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.854 3.304 -10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.295 4.297 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.154 2.674 -8.982 1.00 0.00 H new ATOM 532 N ASP A 48 2.537 2.160 -6.755 1.00 0.00 N ATOM 533 CA ASP A 48 1.697 1.121 -6.097 1.00 0.00 C ATOM 534 C ASP A 48 0.962 1.705 -4.886 1.00 0.00 C ATOM 535 O ASP A 48 -0.093 1.237 -4.514 1.00 0.00 O ATOM 536 CB ASP A 48 2.680 0.047 -5.652 1.00 0.00 C ATOM 537 CG ASP A 48 2.365 -1.265 -6.371 1.00 0.00 C ATOM 538 OD1 ASP A 48 1.264 -1.763 -6.202 1.00 0.00 O ATOM 539 OD2 ASP A 48 3.230 -1.751 -7.081 1.00 0.00 O ATOM 0 H ASP A 48 3.544 2.029 -6.656 1.00 0.00 H new ATOM 0 HA ASP A 48 0.932 0.730 -6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.701 0.359 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.617 -0.094 -4.573 1.00 0.00 H new ATOM 544 N LEU A 49 1.502 2.723 -4.267 1.00 0.00 N ATOM 545 CA LEU A 49 0.811 3.319 -3.095 1.00 0.00 C ATOM 546 C LEU A 49 -0.330 4.191 -3.579 1.00 0.00 C ATOM 547 O LEU A 49 -1.368 4.275 -2.959 1.00 0.00 O ATOM 548 CB LEU A 49 1.865 4.168 -2.401 1.00 0.00 C ATOM 549 CG LEU A 49 2.994 3.268 -1.924 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.027 4.113 -1.189 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.423 2.207 -0.982 1.00 0.00 C ATOM 0 H LEU A 49 2.386 3.162 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 49 0.395 2.567 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.250 4.923 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.425 4.698 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 49 3.468 2.778 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.840 3.475 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.423 4.872 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.558 4.598 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.227 1.557 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.956 2.694 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.679 1.612 -1.512 1.00 0.00 H new ATOM 563 N LYS A 50 -0.146 4.834 -4.695 1.00 0.00 N ATOM 564 CA LYS A 50 -1.226 5.689 -5.229 1.00 0.00 C ATOM 565 C LYS A 50 -2.367 4.793 -5.696 1.00 0.00 C ATOM 566 O LYS A 50 -3.518 5.025 -5.393 1.00 0.00 O ATOM 567 CB LYS A 50 -0.606 6.445 -6.401 1.00 0.00 C ATOM 568 CG LYS A 50 0.432 7.442 -5.879 1.00 0.00 C ATOM 569 CD LYS A 50 -0.213 8.368 -4.845 1.00 0.00 C ATOM 570 CE LYS A 50 -1.470 9.006 -5.438 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.296 10.470 -5.224 1.00 0.00 N ATOM 0 H LYS A 50 0.705 4.802 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.628 6.384 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.137 5.744 -7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.381 6.970 -6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.269 6.908 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.834 8.028 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.468 7.805 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.493 9.143 -4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.570 8.771 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.370 8.639 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.120 10.977 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.211 10.664 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.436 10.792 -5.711 1.00 0.00 H new ATOM 585 N ILE A 51 -2.049 3.749 -6.413 1.00 0.00 N ATOM 586 CA ILE A 51 -3.116 2.821 -6.868 1.00 0.00 C ATOM 587 C ILE A 51 -3.768 2.184 -5.640 1.00 0.00 C ATOM 588 O ILE A 51 -4.977 2.073 -5.546 1.00 0.00 O ATOM 589 CB ILE A 51 -2.400 1.768 -7.711 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.840 2.427 -8.973 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.385 0.666 -8.103 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.926 3.283 -9.628 1.00 0.00 C ATOM 0 H ILE A 51 -1.102 3.502 -6.700 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.899 3.317 -7.442 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.585 1.332 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.978 3.045 -8.721 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.493 1.665 -9.671 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.871 -0.084 -8.704 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.785 0.198 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.202 1.097 -8.681 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.526 3.752 -10.527 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.775 2.653 -9.894 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.251 4.054 -8.930 1.00 0.00 H new ATOM 604 N GLN A 52 -2.971 1.787 -4.681 1.00 0.00 N ATOM 605 CA GLN A 52 -3.541 1.181 -3.450 1.00 0.00 C ATOM 606 C GLN A 52 -4.311 2.255 -2.680 1.00 0.00 C ATOM 607 O GLN A 52 -5.213 1.964 -1.918 1.00 0.00 O ATOM 608 CB GLN A 52 -2.335 0.686 -2.641 1.00 0.00 C ATOM 609 CG GLN A 52 -2.825 0.048 -1.337 1.00 0.00 C ATOM 610 CD GLN A 52 -3.764 -1.119 -1.654 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.732 -1.410 -0.825 1.00 0.00 O flip ATOM 612 NE2 GLN A 52 -3.616 -1.775 -2.667 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.954 1.858 -4.701 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.232 0.364 -3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.766 -0.039 -3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.664 1.517 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.976 -0.305 -0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.344 0.790 -0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.861 -1.549 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.247 -2.551 -2.869 1.00 0.00 H new ATOM 621 N GLU A 53 -3.972 3.504 -2.887 1.00 0.00 N ATOM 622 CA GLU A 53 -4.699 4.594 -2.182 1.00 0.00 C ATOM 623 C GLU A 53 -6.103 4.718 -2.772 1.00 0.00 C ATOM 624 O GLU A 53 -7.091 4.535 -2.091 1.00 0.00 O ATOM 625 CB GLU A 53 -3.882 5.861 -2.441 1.00 0.00 C ATOM 626 CG GLU A 53 -4.238 6.919 -1.396 1.00 0.00 C ATOM 627 CD GLU A 53 -4.333 8.290 -2.067 1.00 0.00 C ATOM 628 OE1 GLU A 53 -5.389 8.601 -2.593 1.00 0.00 O ATOM 629 OE2 GLU A 53 -3.346 9.008 -2.047 1.00 0.00 O ATOM 0 H GLU A 53 -3.226 3.811 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.807 4.410 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.817 5.635 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.086 6.240 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.186 6.670 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.482 6.938 -0.611 1.00 0.00 H new ATOM 636 N ARG A 54 -6.199 5.004 -4.044 1.00 0.00 N ATOM 637 CA ARG A 54 -7.541 5.111 -4.680 1.00 0.00 C ATOM 638 C ARG A 54 -8.331 3.834 -4.394 1.00 0.00 C ATOM 639 O ARG A 54 -9.527 3.860 -4.189 1.00 0.00 O ATOM 640 CB ARG A 54 -7.264 5.245 -6.179 1.00 0.00 C ATOM 641 CG ARG A 54 -8.590 5.368 -6.935 1.00 0.00 C ATOM 642 CD ARG A 54 -8.393 4.928 -8.388 1.00 0.00 C ATOM 643 NE ARG A 54 -8.970 3.557 -8.456 1.00 0.00 N ATOM 644 CZ ARG A 54 -10.262 3.387 -8.364 1.00 0.00 C ATOM 645 NH1 ARG A 54 -11.074 4.279 -8.863 1.00 0.00 N ATOM 646 NH2 ARG A 54 -10.740 2.325 -7.775 1.00 0.00 N ATOM 0 H ARG A 54 -5.408 5.167 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.122 5.953 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.643 6.121 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.709 4.378 -6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.352 4.751 -6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.946 6.398 -6.901 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.899 5.604 -9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.338 4.926 -8.660 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.357 2.751 -8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.700 5.108 -9.324 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.083 4.147 -8.792 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.105 1.628 -7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.749 2.192 -7.703 1.00 0.00 H new ATOM 660 N ASP A 55 -7.657 2.715 -4.372 1.00 0.00 N ATOM 661 CA ASP A 55 -8.350 1.426 -4.094 1.00 0.00 C ATOM 662 C ASP A 55 -8.755 1.344 -2.619 1.00 0.00 C ATOM 663 O ASP A 55 -9.731 0.710 -2.267 1.00 0.00 O ATOM 664 CB ASP A 55 -7.309 0.353 -4.417 1.00 0.00 C ATOM 665 CG ASP A 55 -6.998 0.377 -5.914 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.235 1.403 -6.531 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.533 -0.631 -6.421 1.00 0.00 O ATOM 0 H ASP A 55 -6.653 2.639 -4.535 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.263 1.312 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.399 0.530 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.682 -0.629 -4.128 1.00 0.00 H new ATOM 672 N GLU A 56 -8.002 1.967 -1.752 1.00 0.00 N ATOM 673 CA GLU A 56 -8.330 1.909 -0.298 1.00 0.00 C ATOM 674 C GLU A 56 -9.473 2.860 0.057 1.00 0.00 C ATOM 675 O GLU A 56 -10.252 2.584 0.943 1.00 0.00 O ATOM 676 CB GLU A 56 -7.047 2.318 0.425 1.00 0.00 C ATOM 677 CG GLU A 56 -6.044 1.165 0.385 1.00 0.00 C ATOM 678 CD GLU A 56 -5.999 0.486 1.756 1.00 0.00 C ATOM 679 OE1 GLU A 56 -7.057 0.265 2.320 1.00 0.00 O ATOM 680 OE2 GLU A 56 -4.906 0.202 2.218 1.00 0.00 O ATOM 0 H GLU A 56 -7.174 2.514 -1.988 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.664 0.913 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.618 3.202 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.269 2.584 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.331 0.445 -0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.055 1.537 0.118 1.00 0.00 H new ATOM 687 N LEU A 57 -9.598 3.966 -0.622 1.00 0.00 N ATOM 688 CA LEU A 57 -10.722 4.888 -0.302 1.00 0.00 C ATOM 689 C LEU A 57 -11.957 4.380 -1.026 1.00 0.00 C ATOM 690 O LEU A 57 -13.022 4.235 -0.455 1.00 0.00 O ATOM 691 CB LEU A 57 -10.312 6.260 -0.835 1.00 0.00 C ATOM 692 CG LEU A 57 -8.858 6.551 -0.469 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.081 6.862 -1.745 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.799 7.755 0.475 1.00 0.00 C ATOM 0 H LEU A 57 -8.980 4.268 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.938 4.945 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.436 6.290 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.961 7.030 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.420 5.685 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.041 7.072 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.128 6.005 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.519 7.732 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.761 7.962 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.230 8.626 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.364 7.535 1.381 1.00 0.00 H new ATOM 706 N ALA A 58 -11.806 4.071 -2.282 1.00 0.00 N ATOM 707 CA ALA A 58 -12.954 3.531 -3.046 1.00 0.00 C ATOM 708 C ALA A 58 -13.467 2.295 -2.316 1.00 0.00 C ATOM 709 O ALA A 58 -14.652 2.146 -2.044 1.00 0.00 O ATOM 710 CB ALA A 58 -12.385 3.158 -4.414 1.00 0.00 C ATOM 0 H ALA A 58 -10.938 4.170 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.780 4.234 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.179 2.749 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.970 4.046 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.600 2.412 -4.290 1.00 0.00 H new ATOM 716 N TRP A 59 -12.577 1.413 -1.954 1.00 0.00 N ATOM 717 CA TRP A 59 -13.032 0.224 -1.214 1.00 0.00 C ATOM 718 C TRP A 59 -13.563 0.674 0.145 1.00 0.00 C ATOM 719 O TRP A 59 -14.564 0.198 0.625 1.00 0.00 O ATOM 720 CB TRP A 59 -11.819 -0.677 -1.035 1.00 0.00 C ATOM 721 CG TRP A 59 -12.192 -1.680 -0.008 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.933 -2.783 -0.239 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.917 -1.648 1.414 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.133 -3.442 0.956 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.508 -2.786 2.009 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.206 -0.751 2.236 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.401 -3.027 3.379 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.096 -0.990 3.611 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.690 -2.126 4.182 1.00 0.00 C ATOM 0 H TRP A 59 -11.575 1.469 -2.138 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.824 -0.308 -1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.554 -1.163 -1.974 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.950 -0.100 -0.718 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.308 -3.098 -1.201 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.672 -4.302 1.054 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.744 0.124 1.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.862 -3.900 3.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.552 -0.297 4.235 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.599 -2.306 5.243 1.00 0.00 H new ATOM 740 N LYS A 60 -12.903 1.598 0.773 1.00 0.00 N ATOM 741 CA LYS A 60 -13.409 2.060 2.086 1.00 0.00 C ATOM 742 C LYS A 60 -14.874 2.429 1.910 1.00 0.00 C ATOM 743 O LYS A 60 -15.681 2.266 2.806 1.00 0.00 O ATOM 744 CB LYS A 60 -12.562 3.270 2.455 1.00 0.00 C ATOM 745 CG LYS A 60 -11.556 2.863 3.528 1.00 0.00 C ATOM 746 CD LYS A 60 -10.253 3.625 3.309 1.00 0.00 C ATOM 747 CE LYS A 60 -10.097 4.670 4.412 1.00 0.00 C ATOM 748 NZ LYS A 60 -9.791 5.942 3.698 1.00 0.00 N ATOM 0 H LYS A 60 -12.049 2.047 0.441 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.342 1.309 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.042 3.648 1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.197 4.077 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.956 3.079 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.375 1.789 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.408 2.937 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.259 4.107 2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.008 4.759 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.296 4.401 5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.243 6.736 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.762 6.088 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.155 5.890 2.725 1.00 0.00 H new ATOM 762 N LYS A 61 -15.240 2.867 0.732 1.00 0.00 N ATOM 763 CA LYS A 61 -16.665 3.174 0.483 1.00 0.00 C ATOM 764 C LYS A 61 -17.381 1.835 0.442 1.00 0.00 C ATOM 765 O LYS A 61 -18.439 1.655 1.009 1.00 0.00 O ATOM 766 CB LYS A 61 -16.710 3.872 -0.878 1.00 0.00 C ATOM 767 CG LYS A 61 -17.865 4.876 -0.894 1.00 0.00 C ATOM 768 CD LYS A 61 -19.184 4.140 -0.649 1.00 0.00 C ATOM 769 CE LYS A 61 -20.350 4.994 -1.157 1.00 0.00 C ATOM 770 NZ LYS A 61 -20.653 5.945 -0.049 1.00 0.00 N ATOM 0 H LYS A 61 -14.613 3.022 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.131 3.811 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.766 4.383 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.841 3.137 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.712 5.635 -0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.898 5.394 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.175 3.177 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.306 3.935 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.080 5.526 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -21.216 4.376 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.443 6.562 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.915 5.412 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.813 6.526 0.149 1.00 0.00 H new ATOM 784 N LEU A 62 -16.769 0.879 -0.205 1.00 0.00 N ATOM 785 CA LEU A 62 -17.369 -0.482 -0.259 1.00 0.00 C ATOM 786 C LEU A 62 -17.596 -1.005 1.165 1.00 0.00 C ATOM 787 O LEU A 62 -18.710 -1.083 1.640 1.00 0.00 O ATOM 788 CB LEU A 62 -16.331 -1.357 -0.975 1.00 0.00 C ATOM 789 CG LEU A 62 -16.151 -0.927 -2.423 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.689 -2.137 -3.232 1.00 0.00 C ATOM 791 CD2 LEU A 62 -17.465 -0.393 -2.994 1.00 0.00 C ATOM 0 H LEU A 62 -15.882 0.983 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.330 -0.485 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.376 -1.293 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.645 -2.400 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.409 -0.130 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.554 -1.848 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -14.743 -2.503 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.439 -2.925 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.315 -0.091 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.225 -1.173 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.793 0.466 -2.409 1.00 0.00 H new ATOM 803 N LYS A 63 -16.539 -1.370 1.842 1.00 0.00 N ATOM 804 CA LYS A 63 -16.663 -1.896 3.232 1.00 0.00 C ATOM 805 C LYS A 63 -17.636 -1.051 4.062 1.00 0.00 C ATOM 806 O LYS A 63 -18.515 -1.572 4.718 1.00 0.00 O ATOM 807 CB LYS A 63 -15.248 -1.789 3.802 1.00 0.00 C ATOM 808 CG LYS A 63 -15.130 -2.654 5.058 1.00 0.00 C ATOM 809 CD LYS A 63 -15.490 -1.820 6.289 1.00 0.00 C ATOM 810 CE LYS A 63 -15.307 -2.665 7.552 1.00 0.00 C ATOM 811 NZ LYS A 63 -16.687 -3.027 7.979 1.00 0.00 N ATOM 0 H LYS A 63 -15.584 -1.325 1.486 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.053 -2.914 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.520 -2.112 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.020 -0.750 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.794 -3.515 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.115 -3.041 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.858 -0.933 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.521 -1.473 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.711 -3.555 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.788 -2.105 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.643 -3.608 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.229 -2.161 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.155 -3.566 7.222 1.00 0.00 H new ATOM 825 N LEU A 64 -17.480 0.245 4.053 1.00 0.00 N ATOM 826 CA LEU A 64 -18.394 1.108 4.857 1.00 0.00 C ATOM 827 C LEU A 64 -19.855 0.867 4.454 1.00 0.00 C ATOM 828 O LEU A 64 -20.746 0.877 5.281 1.00 0.00 O ATOM 829 CB LEU A 64 -17.968 2.540 4.534 1.00 0.00 C ATOM 830 CG LEU A 64 -16.599 2.814 5.163 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.051 4.146 4.646 1.00 0.00 C ATOM 832 CD2 LEU A 64 -16.743 2.881 6.685 1.00 0.00 C ATOM 0 H LEU A 64 -16.762 0.743 3.526 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.330 0.896 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.920 2.683 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -18.705 3.246 4.917 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.912 2.012 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.077 4.338 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.948 4.101 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.738 4.950 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.769 3.076 7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.432 3.683 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.130 1.932 7.056 1.00 0.00 H new ATOM 844 N ASP A 65 -20.106 0.656 3.191 1.00 0.00 N ATOM 845 CA ASP A 65 -21.507 0.418 2.732 1.00 0.00 C ATOM 846 C ASP A 65 -21.840 -1.078 2.764 1.00 0.00 C ATOM 847 O ASP A 65 -22.966 -1.477 2.536 1.00 0.00 O ATOM 848 CB ASP A 65 -21.541 0.938 1.295 1.00 0.00 C ATOM 849 CG ASP A 65 -22.402 2.199 1.227 1.00 0.00 C ATOM 850 OD1 ASP A 65 -23.405 2.246 1.921 1.00 0.00 O ATOM 851 OD2 ASP A 65 -22.045 3.097 0.484 1.00 0.00 O ATOM 0 H ASP A 65 -19.401 0.638 2.454 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.237 0.915 3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.530 1.157 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.944 0.174 0.630 1.00 0.00 H new ATOM 856 N GLY A 66 -20.874 -1.909 3.044 1.00 0.00 N ATOM 857 CA GLY A 66 -21.139 -3.377 3.089 1.00 0.00 C ATOM 858 C GLY A 66 -21.007 -3.972 1.685 1.00 0.00 C ATOM 859 O GLY A 66 -21.861 -4.705 1.226 1.00 0.00 O ATOM 0 H GLY A 66 -19.912 -1.636 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.436 -3.862 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.139 -3.563 3.480 1.00 0.00 H new ATOM 863 N LEU A 67 -19.943 -3.661 0.995 1.00 0.00 N ATOM 864 CA LEU A 67 -19.752 -4.202 -0.380 1.00 0.00 C ATOM 865 C LEU A 67 -18.816 -5.406 -0.357 1.00 0.00 C ATOM 866 O LEU A 67 -19.033 -6.388 -1.039 1.00 0.00 O ATOM 867 CB LEU A 67 -19.107 -3.056 -1.150 1.00 0.00 C ATOM 868 CG LEU A 67 -20.178 -2.036 -1.580 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.740 -2.440 -2.945 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.321 -1.984 -0.556 1.00 0.00 C ATOM 0 H LEU A 67 -19.195 -3.052 1.327 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.688 -4.538 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.357 -2.567 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.590 -3.443 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.718 -1.050 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.499 -1.721 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.935 -2.456 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.187 -3.432 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.066 -1.257 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.784 -2.968 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.925 -1.690 0.416 1.00 0.00 H new ATOM 882 N ASP A 68 -17.770 -5.338 0.416 1.00 0.00 N ATOM 883 CA ASP A 68 -16.820 -6.480 0.471 1.00 0.00 C ATOM 884 C ASP A 68 -17.333 -7.555 1.438 1.00 0.00 C ATOM 885 O ASP A 68 -16.576 -8.146 2.181 1.00 0.00 O ATOM 886 CB ASP A 68 -15.509 -5.884 0.977 1.00 0.00 C ATOM 887 CG ASP A 68 -14.500 -7.004 1.239 1.00 0.00 C ATOM 888 OD1 ASP A 68 -14.158 -7.699 0.295 1.00 0.00 O ATOM 889 OD2 ASP A 68 -14.092 -7.153 2.379 1.00 0.00 O ATOM 0 H ASP A 68 -17.533 -4.544 1.010 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.700 -6.961 -0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.109 -5.185 0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.685 -5.318 1.892 1.00 0.00 H new ATOM 894 N GLU A 69 -18.614 -7.817 1.437 1.00 0.00 N ATOM 895 CA GLU A 69 -19.159 -8.855 2.357 1.00 0.00 C ATOM 896 C GLU A 69 -18.542 -10.217 2.033 1.00 0.00 C ATOM 897 O GLU A 69 -18.676 -11.165 2.781 1.00 0.00 O ATOM 898 CB GLU A 69 -20.666 -8.874 2.088 1.00 0.00 C ATOM 899 CG GLU A 69 -21.286 -7.549 2.533 1.00 0.00 C ATOM 900 CD GLU A 69 -21.741 -7.661 3.989 1.00 0.00 C ATOM 901 OE1 GLU A 69 -21.121 -8.410 4.726 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.700 -6.996 4.343 1.00 0.00 O ATOM 0 H GLU A 69 -19.303 -7.358 0.841 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.935 -8.641 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.854 -9.036 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -21.130 -9.702 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.560 -6.743 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -22.133 -7.299 1.894 1.00 0.00 H new ATOM 909 N ASP A 70 -17.864 -10.321 0.922 1.00 0.00 N ATOM 910 CA ASP A 70 -17.239 -11.623 0.553 1.00 0.00 C ATOM 911 C ASP A 70 -15.747 -11.607 0.890 1.00 0.00 C ATOM 912 O ASP A 70 -15.116 -12.639 1.011 1.00 0.00 O ATOM 913 CB ASP A 70 -17.448 -11.751 -0.957 1.00 0.00 C ATOM 914 CG ASP A 70 -18.641 -12.670 -1.231 1.00 0.00 C ATOM 915 OD1 ASP A 70 -18.963 -13.466 -0.364 1.00 0.00 O ATOM 916 OD2 ASP A 70 -19.211 -12.562 -2.305 1.00 0.00 O ATOM 0 H ASP A 70 -17.716 -9.563 0.256 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.678 -12.460 1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.624 -10.769 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.550 -12.153 -1.426 1.00 0.00 H new ATOM 921 N GLY A 71 -15.178 -10.443 1.045 1.00 0.00 N ATOM 922 CA GLY A 71 -13.726 -10.361 1.376 1.00 0.00 C ATOM 923 C GLY A 71 -12.907 -10.381 0.085 1.00 0.00 C ATOM 924 O GLY A 71 -11.717 -10.623 0.099 1.00 0.00 O ATOM 0 H GLY A 71 -15.655 -9.546 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.521 -9.448 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.440 -11.197 2.014 1.00 0.00 H new ATOM 928 N GLU A 72 -13.533 -10.127 -1.031 1.00 0.00 N ATOM 929 CA GLU A 72 -12.785 -10.131 -2.321 1.00 0.00 C ATOM 930 C GLU A 72 -12.223 -8.736 -2.604 1.00 0.00 C ATOM 931 O GLU A 72 -11.047 -8.571 -2.858 1.00 0.00 O ATOM 932 CB GLU A 72 -13.818 -10.520 -3.379 1.00 0.00 C ATOM 933 CG GLU A 72 -13.173 -11.456 -4.402 1.00 0.00 C ATOM 934 CD GLU A 72 -12.293 -10.643 -5.353 1.00 0.00 C ATOM 935 OE1 GLU A 72 -12.539 -9.455 -5.487 1.00 0.00 O ATOM 936 OE2 GLU A 72 -11.387 -11.220 -5.931 1.00 0.00 O ATOM 0 H GLU A 72 -14.528 -9.917 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.940 -10.819 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.670 -11.011 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.199 -9.628 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.575 -12.212 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.943 -11.984 -4.964 1.00 0.00 H new ATOM 943 N LYS A 73 -13.051 -7.729 -2.555 1.00 0.00 N ATOM 944 CA LYS A 73 -12.552 -6.349 -2.815 1.00 0.00 C ATOM 945 C LYS A 73 -11.469 -5.993 -1.794 1.00 0.00 C ATOM 946 O LYS A 73 -10.347 -5.683 -2.145 1.00 0.00 O ATOM 947 CB LYS A 73 -13.775 -5.445 -2.649 1.00 0.00 C ATOM 948 CG LYS A 73 -14.959 -6.042 -3.413 1.00 0.00 C ATOM 949 CD LYS A 73 -15.407 -5.069 -4.506 1.00 0.00 C ATOM 950 CE LYS A 73 -15.976 -5.857 -5.689 1.00 0.00 C ATOM 951 NZ LYS A 73 -17.397 -5.422 -5.792 1.00 0.00 N ATOM 0 H LYS A 73 -14.047 -7.801 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.108 -6.242 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.024 -5.343 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.555 -4.445 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.675 -6.997 -3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.784 -6.241 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.161 -4.387 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.565 -4.459 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.429 -5.641 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.903 -6.931 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.856 -5.919 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.894 -5.646 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.435 -4.396 -5.960 1.00 0.00 H new ATOM 965 N GLU A 74 -11.792 -6.048 -0.531 1.00 0.00 N ATOM 966 CA GLU A 74 -10.778 -5.727 0.513 1.00 0.00 C ATOM 967 C GLU A 74 -9.585 -6.677 0.385 1.00 0.00 C ATOM 968 O GLU A 74 -8.469 -6.343 0.733 1.00 0.00 O ATOM 969 CB GLU A 74 -11.503 -5.946 1.843 1.00 0.00 C ATOM 970 CG GLU A 74 -10.481 -6.123 2.967 1.00 0.00 C ATOM 971 CD GLU A 74 -11.146 -5.832 4.313 1.00 0.00 C ATOM 972 OE1 GLU A 74 -12.198 -6.395 4.566 1.00 0.00 O ATOM 973 OE2 GLU A 74 -10.591 -5.053 5.070 1.00 0.00 O ATOM 0 H GLU A 74 -12.714 -6.301 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.390 -4.712 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.151 -5.096 2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.142 -6.826 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.086 -7.139 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.637 -5.451 2.814 1.00 0.00 H new ATOM 980 N ALA A 75 -9.816 -7.862 -0.110 1.00 0.00 N ATOM 981 CA ALA A 75 -8.699 -8.839 -0.262 1.00 0.00 C ATOM 982 C ALA A 75 -7.679 -8.317 -1.276 1.00 0.00 C ATOM 983 O ALA A 75 -6.482 -8.403 -1.071 1.00 0.00 O ATOM 984 CB ALA A 75 -9.357 -10.121 -0.773 1.00 0.00 C ATOM 0 H ALA A 75 -10.730 -8.197 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.164 -9.004 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.597 -10.890 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.095 -10.465 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.849 -9.923 -1.725 1.00 0.00 H new ATOM 990 N ARG A 76 -8.140 -7.767 -2.368 1.00 0.00 N ATOM 991 CA ARG A 76 -7.188 -7.237 -3.383 1.00 0.00 C ATOM 992 C ARG A 76 -6.274 -6.201 -2.732 1.00 0.00 C ATOM 993 O ARG A 76 -5.105 -6.099 -3.049 1.00 0.00 O ATOM 994 CB ARG A 76 -8.060 -6.586 -4.457 1.00 0.00 C ATOM 995 CG ARG A 76 -7.178 -6.171 -5.636 1.00 0.00 C ATOM 996 CD ARG A 76 -8.054 -5.635 -6.768 1.00 0.00 C ATOM 997 NE ARG A 76 -8.240 -6.791 -7.688 1.00 0.00 N ATOM 998 CZ ARG A 76 -7.669 -6.793 -8.861 1.00 0.00 C ATOM 999 NH1 ARG A 76 -6.446 -7.230 -8.994 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -8.322 -6.357 -9.904 1.00 0.00 N ATOM 0 H ARG A 76 -9.128 -7.663 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.552 -8.015 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.829 -7.283 -4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.574 -5.716 -4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.467 -5.408 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.596 -7.024 -5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.010 -5.273 -6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.575 -4.798 -7.276 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.815 -7.583 -7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.935 -7.571 -8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.002 -7.231 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.278 -6.015 -9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.877 -6.358 -10.822 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.796 -5.435 -1.813 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.953 -4.414 -1.132 1.00 0.00 C ATOM 1016 C LEU A 77 -4.870 -5.112 -0.315 1.00 0.00 C ATOM 1017 O LEU A 77 -3.746 -4.663 -0.237 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.903 -3.651 -0.208 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.992 -2.977 -1.040 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.086 -2.433 -0.117 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.399 -1.830 -1.853 1.00 0.00 C ATOM 0 H LEU A 77 -7.768 -5.473 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.459 -3.747 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.352 -4.334 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.351 -2.903 0.362 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.420 -3.713 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.861 -1.953 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.523 -3.253 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.654 -1.705 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.185 -1.357 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.959 -1.095 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.629 -2.217 -2.520 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.209 -6.212 0.292 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.211 -6.961 1.107 1.00 0.00 C ATOM 1035 C ILE A 78 -3.104 -7.513 0.201 1.00 0.00 C ATOM 1036 O ILE A 78 -1.930 -7.380 0.487 1.00 0.00 O ATOM 1037 CB ILE A 78 -5.003 -8.101 1.751 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.922 -7.530 2.835 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.039 -9.108 2.381 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.874 -8.621 3.327 1.00 0.00 C ATOM 0 H ILE A 78 -6.140 -6.629 0.260 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.726 -6.333 1.854 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.600 -8.602 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.328 -7.149 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.491 -6.689 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.607 -9.918 2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.383 -9.514 1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.439 -8.610 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.527 -8.213 4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.477 -8.981 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.297 -9.448 3.740 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.468 -8.126 -0.893 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.432 -8.679 -1.815 1.00 0.00 C ATOM 1054 C ARG A 79 -1.568 -7.546 -2.379 1.00 0.00 C ATOM 1055 O ARG A 79 -0.376 -7.694 -2.550 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.217 -9.366 -2.933 1.00 0.00 C ATOM 1057 CG ARG A 79 -3.957 -10.579 -2.365 1.00 0.00 C ATOM 1058 CD ARG A 79 -4.120 -11.638 -3.458 1.00 0.00 C ATOM 1059 NE ARG A 79 -3.098 -12.674 -3.144 1.00 0.00 N ATOM 1060 CZ ARG A 79 -3.385 -13.939 -3.290 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -3.530 -14.441 -4.486 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -3.528 -14.701 -2.241 1.00 0.00 N ATOM 0 H ARG A 79 -4.434 -8.268 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.758 -9.371 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.927 -8.668 -3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.540 -9.679 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.404 -10.994 -1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.934 -10.278 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.125 -12.060 -3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.959 -11.212 -4.448 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.174 -12.395 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.419 -13.845 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.754 -15.429 -4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.416 -14.308 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.752 -15.689 -2.355 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.157 -6.415 -2.662 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.358 -5.277 -3.205 1.00 0.00 C ATOM 1078 C ASN A 80 -0.375 -4.788 -2.145 1.00 0.00 C ATOM 1079 O ASN A 80 0.792 -4.586 -2.411 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.374 -4.180 -3.522 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.967 -4.410 -4.912 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -3.213 -5.533 -5.304 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.206 -3.382 -5.679 1.00 0.00 N ATOM 0 H ASN A 80 -3.153 -6.230 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.783 -5.562 -4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.167 -4.179 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.893 -3.203 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.600 -3.521 -6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.999 -2.440 -5.348 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.840 -4.603 -0.941 1.00 0.00 N ATOM 1091 CA LEU A 81 0.066 -4.134 0.143 1.00 0.00 C ATOM 1092 C LEU A 81 1.182 -5.156 0.344 1.00 0.00 C ATOM 1093 O LEU A 81 2.310 -4.812 0.591 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.818 -4.032 1.386 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.643 -2.652 2.017 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.837 -2.420 2.326 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.136 -1.580 1.042 1.00 0.00 C ATOM 0 H LEU A 81 -1.809 -4.757 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 81 0.540 -3.179 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.862 -4.192 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.550 -4.809 2.102 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.221 -2.596 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.965 -1.436 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.188 -3.185 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.414 -2.474 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.012 -0.595 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.558 -1.634 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.190 -1.747 0.820 1.00 0.00 H new ATOM 1109 N ASN A 82 0.871 -6.411 0.223 1.00 0.00 N ATOM 1110 CA ASN A 82 1.913 -7.460 0.381 1.00 0.00 C ATOM 1111 C ASN A 82 2.844 -7.438 -0.835 1.00 0.00 C ATOM 1112 O ASN A 82 4.016 -7.750 -0.745 1.00 0.00 O ATOM 1113 CB ASN A 82 1.135 -8.773 0.445 1.00 0.00 C ATOM 1114 CG ASN A 82 1.032 -9.235 1.898 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.975 -9.114 2.655 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.083 -9.762 2.324 1.00 0.00 N ATOM 0 H ASN A 82 -0.066 -6.760 0.020 1.00 0.00 H new ATOM 0 HA ASN A 82 2.534 -7.316 1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.139 -8.638 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.635 -9.534 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.163 -10.072 3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.875 -9.864 1.689 1.00 0.00 H new ATOM 1123 N VAL A 83 2.328 -7.053 -1.973 1.00 0.00 N ATOM 1124 CA VAL A 83 3.173 -6.989 -3.200 1.00 0.00 C ATOM 1125 C VAL A 83 4.213 -5.880 -3.033 1.00 0.00 C ATOM 1126 O VAL A 83 5.392 -6.074 -3.256 1.00 0.00 O ATOM 1127 CB VAL A 83 2.186 -6.669 -4.328 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.909 -5.986 -5.490 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.549 -7.968 -4.824 1.00 0.00 C ATOM 0 H VAL A 83 1.354 -6.779 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 83 3.721 -7.909 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 83 1.417 -5.997 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.195 -5.765 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.363 -5.058 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.685 -6.647 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.846 -7.745 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.326 -8.635 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.020 -8.451 -4.002 1.00 0.00 H new ATOM 1139 N ILE A 84 3.781 -4.726 -2.611 1.00 0.00 N ATOM 1140 CA ILE A 84 4.727 -3.601 -2.388 1.00 0.00 C ATOM 1141 C ILE A 84 5.673 -3.986 -1.257 1.00 0.00 C ATOM 1142 O ILE A 84 6.876 -3.956 -1.393 1.00 0.00 O ATOM 1143 CB ILE A 84 3.823 -2.436 -1.985 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.065 -1.951 -3.218 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.656 -1.287 -1.412 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.743 -1.311 -2.784 1.00 0.00 C ATOM 0 H ILE A 84 2.804 -4.513 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 84 5.341 -3.351 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 84 3.122 -2.772 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.668 -1.229 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.873 -2.786 -3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.997 -0.466 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.199 -1.634 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.365 -0.942 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.201 -0.964 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.140 -2.047 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.947 -0.466 -2.127 1.00 0.00 H new ATOM 1158 N LEU A 85 5.123 -4.379 -0.148 1.00 0.00 N ATOM 1159 CA LEU A 85 5.962 -4.802 1.001 1.00 0.00 C ATOM 1160 C LEU A 85 6.835 -5.978 0.578 1.00 0.00 C ATOM 1161 O LEU A 85 7.858 -6.255 1.167 1.00 0.00 O ATOM 1162 CB LEU A 85 4.954 -5.220 2.067 1.00 0.00 C ATOM 1163 CG LEU A 85 4.156 -3.993 2.489 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.188 -4.369 3.607 1.00 0.00 C ATOM 1165 CD2 LEU A 85 5.115 -2.909 2.972 1.00 0.00 C ATOM 0 H LEU A 85 4.117 -4.426 0.014 1.00 0.00 H new ATOM 0 HA LEU A 85 6.632 -4.022 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.287 -5.989 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.469 -5.651 2.926 1.00 0.00 H new ATOM 0 HG LEU A 85 3.586 -3.617 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.619 -3.489 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.504 -5.140 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.749 -4.747 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.547 -2.029 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.687 -3.282 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.797 -2.641 2.165 1.00 0.00 H new ATOM 1177 N ALA A 86 6.437 -6.662 -0.456 1.00 0.00 N ATOM 1178 CA ALA A 86 7.245 -7.812 -0.946 1.00 0.00 C ATOM 1179 C ALA A 86 8.352 -7.289 -1.866 1.00 0.00 C ATOM 1180 O ALA A 86 9.413 -7.871 -1.976 1.00 0.00 O ATOM 1181 CB ALA A 86 6.262 -8.685 -1.726 1.00 0.00 C ATOM 0 H ALA A 86 5.585 -6.474 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 86 7.722 -8.371 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.784 -9.557 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.460 -9.011 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.840 -8.110 -2.551 1.00 0.00 H new ATOM 1187 N LYS A 87 8.107 -6.185 -2.518 1.00 0.00 N ATOM 1188 CA LYS A 87 9.133 -5.600 -3.426 1.00 0.00 C ATOM 1189 C LYS A 87 10.102 -4.731 -2.630 1.00 0.00 C ATOM 1190 O LYS A 87 11.184 -4.414 -3.080 1.00 0.00 O ATOM 1191 CB LYS A 87 8.346 -4.718 -4.391 1.00 0.00 C ATOM 1192 CG LYS A 87 9.295 -4.166 -5.451 1.00 0.00 C ATOM 1193 CD LYS A 87 8.514 -3.333 -6.465 1.00 0.00 C ATOM 1194 CE LYS A 87 8.670 -3.947 -7.858 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.319 -3.846 -8.475 1.00 0.00 N ATOM 0 H LYS A 87 7.234 -5.660 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 87 9.713 -6.370 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.550 -5.294 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.870 -3.900 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.064 -3.554 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.806 -4.986 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.460 -3.297 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.879 -2.306 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.414 -3.409 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.000 -4.984 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.345 -4.247 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.633 -4.373 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.034 -2.847 -8.525 1.00 0.00 H new ATOM 1209 N TYR A 88 9.709 -4.325 -1.459 1.00 0.00 N ATOM 1210 CA TYR A 88 10.590 -3.453 -0.636 1.00 0.00 C ATOM 1211 C TYR A 88 10.727 -4.025 0.771 1.00 0.00 C ATOM 1212 O TYR A 88 11.350 -3.433 1.629 1.00 0.00 O ATOM 1213 CB TYR A 88 9.864 -2.107 -0.576 1.00 0.00 C ATOM 1214 CG TYR A 88 9.306 -1.751 -1.929 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.177 -1.448 -2.971 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.921 -1.722 -2.135 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.675 -1.111 -4.232 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.410 -1.388 -3.398 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.288 -1.084 -4.448 1.00 0.00 C ATOM 1220 OH TYR A 88 7.788 -0.749 -5.689 1.00 0.00 O ATOM 0 H TYR A 88 8.812 -4.560 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 88 11.593 -3.369 -1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.058 -2.154 0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.552 -1.330 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.244 -1.473 -2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.248 -1.956 -1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.353 -0.872 -5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.343 -1.365 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 88 8.495 -0.333 -6.225 1.00 0.00 H new ATOM 1230 N GLY A 89 10.134 -5.160 1.021 1.00 0.00 N ATOM 1231 CA GLY A 89 10.217 -5.748 2.387 1.00 0.00 C ATOM 1232 C GLY A 89 9.976 -4.630 3.401 1.00 0.00 C ATOM 1233 O GLY A 89 10.547 -4.613 4.473 1.00 0.00 O ATOM 0 H GLY A 89 9.599 -5.703 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.475 -6.537 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.195 -6.203 2.547 1.00 0.00 H new ATOM 1237 N LEU A 90 9.141 -3.683 3.055 1.00 0.00 N ATOM 1238 CA LEU A 90 8.870 -2.550 3.977 1.00 0.00 C ATOM 1239 C LEU A 90 8.172 -3.046 5.248 1.00 0.00 C ATOM 1240 O LEU A 90 8.292 -2.456 6.303 1.00 0.00 O ATOM 1241 CB LEU A 90 7.955 -1.627 3.175 1.00 0.00 C ATOM 1242 CG LEU A 90 8.788 -0.765 2.226 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.865 -0.123 1.186 1.00 0.00 C ATOM 1244 CD2 LEU A 90 9.498 0.321 3.028 1.00 0.00 C ATOM 0 H LEU A 90 8.636 -3.650 2.169 1.00 0.00 H new ATOM 0 HA LEU A 90 9.779 -2.048 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.236 -2.217 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.383 -0.991 3.851 1.00 0.00 H new ATOM 0 HG LEU A 90 9.529 -1.382 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.455 0.493 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.357 -0.903 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.126 0.499 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.094 0.939 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.759 0.943 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.150 -0.141 3.769 1.00 0.00 H new ATOM 1256 N ASP A 91 7.447 -4.125 5.156 1.00 0.00 N ATOM 1257 CA ASP A 91 6.747 -4.658 6.361 1.00 0.00 C ATOM 1258 C ASP A 91 6.348 -6.118 6.131 1.00 0.00 C ATOM 1259 O ASP A 91 5.236 -6.521 6.411 1.00 0.00 O ATOM 1260 CB ASP A 91 5.507 -3.778 6.521 1.00 0.00 C ATOM 1261 CG ASP A 91 5.685 -2.857 7.730 1.00 0.00 C ATOM 1262 OD1 ASP A 91 5.892 -3.372 8.817 1.00 0.00 O ATOM 1263 OD2 ASP A 91 5.612 -1.653 7.549 1.00 0.00 O ATOM 0 H ASP A 91 7.308 -4.662 4.300 1.00 0.00 H new ATOM 0 HA ASP A 91 7.376 -4.636 7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.350 -3.186 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.621 -4.400 6.652 1.00 0.00 H new ATOM 1268 N GLY A 92 7.251 -6.912 5.624 1.00 0.00 N ATOM 1269 CA GLY A 92 6.931 -8.345 5.375 1.00 0.00 C ATOM 1270 C GLY A 92 8.147 -9.201 5.724 1.00 0.00 C ATOM 1271 O GLY A 92 9.276 -8.761 5.627 1.00 0.00 O ATOM 0 H GLY A 92 8.198 -6.629 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.074 -8.648 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.656 -8.492 4.331 1.00 0.00 H new ATOM 1275 N LYS A 93 7.932 -10.420 6.132 1.00 0.00 N ATOM 1276 CA LYS A 93 9.084 -11.296 6.488 1.00 0.00 C ATOM 1277 C LYS A 93 9.477 -12.175 5.298 1.00 0.00 C ATOM 1278 O LYS A 93 8.785 -13.112 4.950 1.00 0.00 O ATOM 1279 CB LYS A 93 8.584 -12.157 7.648 1.00 0.00 C ATOM 1280 CG LYS A 93 9.725 -13.047 8.146 1.00 0.00 C ATOM 1281 CD LYS A 93 9.207 -13.972 9.248 1.00 0.00 C ATOM 1282 CE LYS A 93 9.959 -15.304 9.195 1.00 0.00 C ATOM 1283 NZ LYS A 93 11.027 -15.183 10.226 1.00 0.00 N ATOM 0 H LYS A 93 7.012 -10.847 6.234 1.00 0.00 H new ATOM 0 HA LYS A 93 9.969 -10.719 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.223 -11.523 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.743 -12.771 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.127 -13.636 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.541 -12.432 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.343 -13.504 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.138 -14.141 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.295 -16.141 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.383 -15.479 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.587 -16.059 10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.647 -14.382 9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.594 -15.023 11.158 1.00 0.00 H new ATOM 1297 N LYS A 94 10.587 -11.884 4.677 1.00 0.00 N ATOM 1298 CA LYS A 94 11.033 -12.709 3.516 1.00 0.00 C ATOM 1299 C LYS A 94 12.453 -13.223 3.765 1.00 0.00 C ATOM 1300 O LYS A 94 12.964 -14.055 3.041 1.00 0.00 O ATOM 1301 CB LYS A 94 11.003 -11.758 2.317 1.00 0.00 C ATOM 1302 CG LYS A 94 12.029 -10.641 2.524 1.00 0.00 C ATOM 1303 CD LYS A 94 11.781 -9.525 1.505 1.00 0.00 C ATOM 1304 CE LYS A 94 12.224 -9.990 0.116 1.00 0.00 C ATOM 1305 NZ LYS A 94 13.254 -9.002 -0.307 1.00 0.00 N ATOM 0 H LYS A 94 11.205 -11.111 4.923 1.00 0.00 H new ATOM 0 HA LYS A 94 10.399 -13.581 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.225 -12.305 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.006 -11.333 2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.953 -10.246 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.039 -11.035 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.724 -9.260 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.330 -8.628 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.634 -10.999 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.386 -10.010 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.608 -9.253 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.832 -8.052 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.042 -9.011 0.371 1.00 0.00 H new ATOM 1319 N ASP A 95 13.087 -12.730 4.793 1.00 0.00 N ATOM 1320 CA ASP A 95 14.469 -13.171 5.114 1.00 0.00 C ATOM 1321 C ASP A 95 14.454 -14.602 5.658 1.00 0.00 C ATOM 1322 O ASP A 95 13.722 -14.917 6.575 1.00 0.00 O ATOM 1323 CB ASP A 95 14.930 -12.191 6.188 1.00 0.00 C ATOM 1324 CG ASP A 95 16.270 -11.574 5.780 1.00 0.00 C ATOM 1325 OD1 ASP A 95 16.927 -12.145 4.927 1.00 0.00 O ATOM 1326 OD2 ASP A 95 16.615 -10.541 6.328 1.00 0.00 O ATOM 0 H ASP A 95 12.700 -12.033 5.430 1.00 0.00 H new ATOM 0 HA ASP A 95 15.126 -13.176 4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.184 -11.408 6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.031 -12.705 7.144 1.00 0.00 H new ATOM 1331 N ALA A 96 15.254 -15.468 5.103 1.00 0.00 N ATOM 1332 CA ALA A 96 15.280 -16.875 5.597 1.00 0.00 C ATOM 1333 C ALA A 96 16.558 -17.128 6.400 1.00 0.00 C ATOM 1334 O ALA A 96 16.947 -18.256 6.626 1.00 0.00 O ATOM 1335 CB ALA A 96 15.259 -17.739 4.336 1.00 0.00 C ATOM 0 H ALA A 96 15.889 -15.265 4.331 1.00 0.00 H new ATOM 0 HA ALA A 96 14.441 -17.097 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.276 -18.792 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.353 -17.530 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 96 16.132 -17.512 3.725 1.00 0.00 H new ATOM 1341 N ARG A 97 17.213 -16.085 6.832 1.00 0.00 N ATOM 1342 CA ARG A 97 18.467 -16.267 7.617 1.00 0.00 C ATOM 1343 C ARG A 97 18.756 -15.015 8.451 1.00 0.00 C ATOM 1344 O ARG A 97 19.922 -14.705 8.634 1.00 0.00 O ATOM 1345 CB ARG A 97 19.559 -16.477 6.569 1.00 0.00 C ATOM 1346 CG ARG A 97 20.677 -17.337 7.162 1.00 0.00 C ATOM 1347 CD ARG A 97 21.760 -16.433 7.752 1.00 0.00 C ATOM 1348 NE ARG A 97 23.046 -17.008 7.269 1.00 0.00 N ATOM 1349 CZ ARG A 97 24.154 -16.333 7.405 1.00 0.00 C ATOM 1350 NH1 ARG A 97 24.766 -16.311 8.558 1.00 0.00 N ATOM 1351 NH2 ARG A 97 24.650 -15.681 6.389 1.00 0.00 N ATOM 1352 OXT ARG A 97 17.806 -14.389 8.893 1.00 0.00 O ATOM 0 H ARG A 97 16.935 -15.116 6.676 1.00 0.00 H new ATOM 0 HA ARG A 97 18.402 -17.103 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 97 19.142 -16.962 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 97 19.958 -15.515 6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 97 20.275 -17.992 7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 97 21.104 -17.978 6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 97 21.639 -15.402 7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 97 21.716 -16.423 8.841 1.00 0.00 H new ATOM 0 HE ARG A 97 23.060 -17.929 6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 97 24.378 -16.821 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 97 25.632 -15.784 8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 97 24.171 -15.699 5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 97 25.516 -15.153 6.495 1.00 0.00 H new TER 1366 ARG A 97