USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot -89:sc= -1.82! USER MOD Set 1.2: A 46 ASN : amide:sc= -1.21 K(o=-8,f=-10!) USER MOD Set 1.3: A 51 GLN : amide:sc= -4.99! C(o=-8!,f=-12!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -150:sc= -2.06 USER MOD Single : A 20 SER OG : rot -56:sc= 0.477 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.0892 K(o=0.089,f=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0691) USER MOD Single : A 37 ASN : amide:sc= -8.08! C(o=-8.1!,f=-11!) USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= -0.056 (180deg=-0.394) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.409 F(o=-1.1,f=-0.41) USER MOD Single : A 45 MET CE :methyl 136:sc= -0.238 (180deg=-5.64!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0703 F(o=-0.58,f=-0.07) USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= -0.285 (180deg=-1.39!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.932 13.583 -3.830 1.00 0.00 N ATOM 2 CA ILE A 6 -0.139 14.129 -2.693 1.00 0.00 C ATOM 3 C ILE A 6 1.329 13.702 -2.874 1.00 0.00 C ATOM 4 O ILE A 6 1.596 12.572 -3.233 1.00 0.00 O ATOM 5 CB ILE A 6 -0.728 13.566 -1.368 1.00 0.00 C ATOM 6 CG1 ILE A 6 -1.934 14.429 -0.954 1.00 0.00 C ATOM 7 CG2 ILE A 6 0.307 13.555 -0.214 1.00 0.00 C ATOM 8 CD1 ILE A 6 -2.463 13.970 0.404 1.00 0.00 C ATOM 0 HA ILE A 6 -0.185 15.218 -2.662 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.025 12.533 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.641 15.478 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.721 14.353 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.157 13.153 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.157 12.933 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.649 14.572 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.316 14.586 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.774 12.927 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.677 14.069 1.153 1.00 0.00 H new ATOM 20 N PRO A 7 2.283 14.575 -2.614 1.00 0.00 N ATOM 21 CA PRO A 7 3.715 14.209 -2.752 1.00 0.00 C ATOM 22 C PRO A 7 4.022 12.883 -2.031 1.00 0.00 C ATOM 23 O PRO A 7 3.908 12.767 -0.828 1.00 0.00 O ATOM 24 CB PRO A 7 4.503 15.388 -2.143 1.00 0.00 C ATOM 25 CG PRO A 7 3.502 16.458 -1.777 1.00 0.00 C ATOM 26 CD PRO A 7 2.101 15.973 -2.186 1.00 0.00 C ATOM 0 HA PRO A 7 3.993 14.046 -3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.059 15.065 -1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.232 15.772 -2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.536 16.659 -0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.743 17.392 -2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.402 16.041 -1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.694 16.582 -2.993 1.00 0.00 H new ATOM 34 N ILE A 8 4.386 11.886 -2.783 1.00 0.00 N ATOM 35 CA ILE A 8 4.686 10.542 -2.225 1.00 0.00 C ATOM 36 C ILE A 8 5.639 10.610 -1.003 1.00 0.00 C ATOM 37 O ILE A 8 5.814 9.632 -0.308 1.00 0.00 O ATOM 38 CB ILE A 8 5.324 9.735 -3.361 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.347 8.260 -3.002 1.00 0.00 C ATOM 40 CG2 ILE A 8 6.731 10.236 -3.624 1.00 0.00 C ATOM 41 CD1 ILE A 8 5.987 7.466 -4.141 1.00 0.00 C ATOM 0 H ILE A 8 4.491 11.950 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 8 3.770 10.076 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 8 4.731 9.864 -4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.907 8.108 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.333 7.903 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.178 9.658 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.696 11.288 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.332 10.123 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.003 6.407 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.408 7.608 -5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.007 7.816 -4.300 1.00 0.00 H new ATOM 53 N TRP A 9 6.272 11.734 -0.741 1.00 0.00 N ATOM 54 CA TRP A 9 7.221 11.820 0.441 1.00 0.00 C ATOM 55 C TRP A 9 6.537 12.522 1.628 1.00 0.00 C ATOM 56 O TRP A 9 7.077 12.558 2.716 1.00 0.00 O ATOM 57 CB TRP A 9 8.495 12.608 0.043 1.00 0.00 C ATOM 58 CG TRP A 9 8.167 13.486 -1.108 1.00 0.00 C ATOM 59 CD1 TRP A 9 7.572 14.694 -1.028 1.00 0.00 C ATOM 60 CD2 TRP A 9 8.364 13.215 -2.515 1.00 0.00 C ATOM 61 NE1 TRP A 9 7.392 15.184 -2.306 1.00 0.00 N ATOM 62 CE2 TRP A 9 7.858 14.303 -3.258 1.00 0.00 C ATOM 63 CE3 TRP A 9 8.926 12.135 -3.209 1.00 0.00 C ATOM 64 CZ2 TRP A 9 7.899 14.316 -4.648 1.00 0.00 C ATOM 65 CZ3 TRP A 9 8.965 12.141 -4.608 1.00 0.00 C ATOM 66 CH2 TRP A 9 8.450 13.227 -5.325 1.00 0.00 C ATOM 0 H TRP A 9 6.179 12.592 -1.284 1.00 0.00 H new ATOM 0 HA TRP A 9 7.497 10.808 0.736 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.850 13.203 0.884 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.298 11.920 -0.222 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.284 15.195 -0.115 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.967 16.086 -2.519 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.330 11.296 -2.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.509 15.160 -5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.395 11.303 -5.137 1.00 0.00 H new ATOM 0 HH2 TRP A 9 8.479 13.222 -6.405 1.00 0.00 H new ATOM 77 N GLU A 10 5.367 13.086 1.432 1.00 0.00 N ATOM 78 CA GLU A 10 4.661 13.796 2.557 1.00 0.00 C ATOM 79 C GLU A 10 3.372 13.040 2.906 1.00 0.00 C ATOM 80 O GLU A 10 2.668 13.392 3.831 1.00 0.00 O ATOM 81 CB GLU A 10 4.328 15.241 2.110 1.00 0.00 C ATOM 82 CG GLU A 10 5.353 16.231 2.684 1.00 0.00 C ATOM 83 CD GLU A 10 5.081 16.439 4.177 1.00 0.00 C ATOM 84 OE1 GLU A 10 3.955 16.765 4.514 1.00 0.00 O ATOM 85 OE2 GLU A 10 6.004 16.270 4.957 1.00 0.00 O ATOM 0 H GLU A 10 4.868 13.087 0.543 1.00 0.00 H new ATOM 0 HA GLU A 10 5.301 13.830 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.326 15.300 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.326 15.510 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.364 15.851 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.291 17.183 2.156 1.00 0.00 H new ATOM 92 N ARG A 11 3.060 12.006 2.178 1.00 0.00 N ATOM 93 CA ARG A 11 1.817 11.236 2.476 1.00 0.00 C ATOM 94 C ARG A 11 2.059 10.314 3.676 1.00 0.00 C ATOM 95 O ARG A 11 3.109 10.343 4.289 1.00 0.00 O ATOM 96 CB ARG A 11 1.392 10.429 1.224 1.00 0.00 C ATOM 97 CG ARG A 11 2.060 9.035 1.153 1.00 0.00 C ATOM 98 CD ARG A 11 3.594 9.140 1.222 1.00 0.00 C ATOM 99 NE ARG A 11 4.051 8.883 2.619 1.00 0.00 N ATOM 100 CZ ARG A 11 5.317 8.699 2.870 1.00 0.00 C ATOM 101 NH1 ARG A 11 6.186 8.718 1.898 1.00 0.00 N ATOM 102 NH2 ARG A 11 5.713 8.492 4.095 1.00 0.00 N ATOM 0 H ARG A 11 3.609 11.660 1.391 1.00 0.00 H new ATOM 0 HA ARG A 11 1.008 11.921 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.309 10.308 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.648 10.995 0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.699 8.415 1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.770 8.538 0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.049 8.420 0.542 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.916 10.130 0.900 1.00 0.00 H new ATOM 0 HE ARG A 11 3.372 8.851 3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.876 8.877 0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.176 8.574 2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.033 8.474 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.703 8.348 4.293 1.00 0.00 H new ATOM 116 N TYR A 12 1.093 9.495 4.011 1.00 0.00 N ATOM 117 CA TYR A 12 1.239 8.552 5.166 1.00 0.00 C ATOM 118 C TYR A 12 1.052 7.121 4.654 1.00 0.00 C ATOM 119 O TYR A 12 1.402 6.161 5.311 1.00 0.00 O ATOM 120 CB TYR A 12 0.173 8.868 6.222 1.00 0.00 C ATOM 121 CG TYR A 12 -1.172 9.057 5.553 1.00 0.00 C ATOM 122 CD1 TYR A 12 -1.423 10.203 4.784 1.00 0.00 C ATOM 123 CD2 TYR A 12 -2.168 8.083 5.699 1.00 0.00 C ATOM 124 CE1 TYR A 12 -2.667 10.371 4.164 1.00 0.00 C ATOM 125 CE2 TYR A 12 -3.412 8.253 5.080 1.00 0.00 C ATOM 126 CZ TYR A 12 -3.661 9.396 4.311 1.00 0.00 C ATOM 127 OH TYR A 12 -4.886 9.562 3.699 1.00 0.00 O ATOM 0 H TYR A 12 0.197 9.438 3.527 1.00 0.00 H new ATOM 0 HA TYR A 12 2.226 8.659 5.616 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.117 8.058 6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.447 9.770 6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.657 10.956 4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.976 7.200 6.290 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.860 11.253 3.572 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.180 7.502 5.196 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.460 8.794 3.902 1.00 0.00 H new ATOM 137 N THR A 13 0.513 6.983 3.471 1.00 0.00 N ATOM 138 CA THR A 13 0.300 5.630 2.872 1.00 0.00 C ATOM 139 C THR A 13 0.489 5.745 1.355 1.00 0.00 C ATOM 140 O THR A 13 0.389 6.818 0.801 1.00 0.00 O ATOM 141 CB THR A 13 -1.129 5.147 3.186 1.00 0.00 C ATOM 142 OG1 THR A 13 -2.019 6.249 3.088 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.225 4.547 4.607 1.00 0.00 C ATOM 0 H THR A 13 0.207 7.760 2.886 1.00 0.00 H new ATOM 0 HA THR A 13 1.011 4.914 3.285 1.00 0.00 H new ATOM 0 HB THR A 13 -1.393 4.370 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.079 6.699 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.247 4.217 4.794 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.548 3.697 4.689 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.948 5.304 5.341 1.00 0.00 H new ATOM 151 N LEU A 14 0.786 4.656 0.681 1.00 0.00 N ATOM 152 CA LEU A 14 1.011 4.713 -0.806 1.00 0.00 C ATOM 153 C LEU A 14 -0.098 3.968 -1.558 1.00 0.00 C ATOM 154 O LEU A 14 -0.611 2.962 -1.109 1.00 0.00 O ATOM 155 CB LEU A 14 2.375 4.065 -1.127 1.00 0.00 C ATOM 156 CG LEU A 14 3.493 5.119 -1.094 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.784 5.537 0.349 1.00 0.00 C ATOM 158 CD2 LEU A 14 4.755 4.527 -1.714 1.00 0.00 C ATOM 0 H LEU A 14 0.883 3.729 1.095 1.00 0.00 H new ATOM 0 HA LEU A 14 0.999 5.755 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.589 3.277 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.339 3.595 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 14 3.175 5.996 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.578 6.284 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.883 5.959 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.099 4.666 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.553 5.269 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.062 3.649 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.553 4.239 -2.746 1.00 0.00 H new ATOM 170 N THR A 15 -0.453 4.464 -2.717 1.00 0.00 N ATOM 171 CA THR A 15 -1.509 3.806 -3.531 1.00 0.00 C ATOM 172 C THR A 15 -0.905 2.672 -4.333 1.00 0.00 C ATOM 173 O THR A 15 0.256 2.342 -4.196 1.00 0.00 O ATOM 174 CB THR A 15 -2.114 4.810 -4.506 1.00 0.00 C ATOM 175 OG1 THR A 15 -1.084 5.381 -5.294 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.835 5.905 -3.738 1.00 0.00 C ATOM 0 H THR A 15 -0.050 5.304 -3.133 1.00 0.00 H new ATOM 0 HA THR A 15 -2.279 3.425 -2.859 1.00 0.00 H new ATOM 0 HB THR A 15 -2.827 4.299 -5.153 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.335 6.293 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.265 6.619 -4.440 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.630 5.464 -3.136 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.128 6.418 -3.086 1.00 0.00 H new ATOM 184 N ILE A 16 -1.683 2.085 -5.190 1.00 0.00 N ATOM 185 CA ILE A 16 -1.157 0.991 -6.017 1.00 0.00 C ATOM 186 C ILE A 16 -0.077 1.564 -6.933 1.00 0.00 C ATOM 187 O ILE A 16 0.933 0.942 -7.191 1.00 0.00 O ATOM 188 CB ILE A 16 -2.282 0.418 -6.876 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.382 -0.207 -5.985 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.693 -0.619 -7.830 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.996 -1.622 -5.534 1.00 0.00 C ATOM 0 H ILE A 16 -2.662 2.321 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.747 0.204 -5.384 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.746 1.216 -7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.547 0.423 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.322 -0.242 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.487 -1.036 -8.449 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.947 -0.145 -8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.224 -1.418 -7.255 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.789 -2.034 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.856 -2.257 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.069 -1.581 -4.963 1.00 0.00 H new ATOM 203 N GLU A 17 -0.293 2.753 -7.429 1.00 0.00 N ATOM 204 CA GLU A 17 0.715 3.373 -8.332 1.00 0.00 C ATOM 205 C GLU A 17 1.952 3.753 -7.519 1.00 0.00 C ATOM 206 O GLU A 17 3.059 3.392 -7.865 1.00 0.00 O ATOM 207 CB GLU A 17 0.133 4.611 -9.035 1.00 0.00 C ATOM 208 CG GLU A 17 -0.626 5.496 -8.044 1.00 0.00 C ATOM 209 CD GLU A 17 -1.229 6.688 -8.791 1.00 0.00 C ATOM 210 OE1 GLU A 17 -1.143 6.704 -10.007 1.00 0.00 O ATOM 211 OE2 GLU A 17 -1.765 7.565 -8.134 1.00 0.00 O ATOM 0 H GLU A 17 -1.122 3.319 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 17 0.993 2.653 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.937 5.183 -9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.537 4.298 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.413 4.922 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.047 5.845 -7.261 1.00 0.00 H new ATOM 218 N GLU A 18 1.788 4.458 -6.429 1.00 0.00 N ATOM 219 CA GLU A 18 2.977 4.813 -5.618 1.00 0.00 C ATOM 220 C GLU A 18 3.581 3.515 -5.076 1.00 0.00 C ATOM 221 O GLU A 18 4.778 3.391 -4.928 1.00 0.00 O ATOM 222 CB GLU A 18 2.582 5.731 -4.450 1.00 0.00 C ATOM 223 CG GLU A 18 1.838 6.980 -4.951 1.00 0.00 C ATOM 224 CD GLU A 18 2.588 7.612 -6.126 1.00 0.00 C ATOM 225 OE1 GLU A 18 3.465 8.422 -5.877 1.00 0.00 O ATOM 226 OE2 GLU A 18 2.269 7.276 -7.255 1.00 0.00 O ATOM 0 H GLU A 18 0.894 4.796 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 18 3.700 5.346 -6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.949 5.183 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.475 6.032 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.828 6.710 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.742 7.703 -4.141 1.00 0.00 H new ATOM 233 N ALA A 19 2.758 2.537 -4.795 1.00 0.00 N ATOM 234 CA ALA A 19 3.289 1.241 -4.281 1.00 0.00 C ATOM 235 C ALA A 19 4.099 0.559 -5.380 1.00 0.00 C ATOM 236 O ALA A 19 5.240 0.206 -5.193 1.00 0.00 O ATOM 237 CB ALA A 19 2.135 0.326 -3.876 1.00 0.00 C ATOM 0 H ALA A 19 1.744 2.581 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 19 3.919 1.433 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.533 -0.617 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.546 0.807 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.501 0.135 -4.742 1.00 0.00 H new ATOM 243 N SER A 20 3.521 0.360 -6.527 1.00 0.00 N ATOM 244 CA SER A 20 4.281 -0.307 -7.616 1.00 0.00 C ATOM 245 C SER A 20 5.618 0.413 -7.827 1.00 0.00 C ATOM 246 O SER A 20 6.640 -0.206 -8.028 1.00 0.00 O ATOM 247 CB SER A 20 3.460 -0.262 -8.897 1.00 0.00 C ATOM 248 OG SER A 20 3.586 1.022 -9.492 1.00 0.00 O ATOM 0 H SER A 20 2.564 0.627 -6.758 1.00 0.00 H new ATOM 0 HA SER A 20 4.477 -1.345 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.803 -1.031 -9.589 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.413 -0.473 -8.679 1.00 0.00 H new ATOM 0 HG SER A 20 3.317 1.709 -8.847 1.00 0.00 H new ATOM 254 N LYS A 21 5.626 1.715 -7.781 1.00 0.00 N ATOM 255 CA LYS A 21 6.907 2.459 -7.971 1.00 0.00 C ATOM 256 C LYS A 21 7.764 2.316 -6.704 1.00 0.00 C ATOM 257 O LYS A 21 8.866 1.811 -6.732 1.00 0.00 O ATOM 258 CB LYS A 21 6.585 3.946 -8.234 1.00 0.00 C ATOM 259 CG LYS A 21 7.720 4.646 -9.021 1.00 0.00 C ATOM 260 CD LYS A 21 8.786 5.212 -8.062 1.00 0.00 C ATOM 261 CE LYS A 21 8.343 6.570 -7.500 1.00 0.00 C ATOM 262 NZ LYS A 21 9.485 7.199 -6.777 1.00 0.00 N ATOM 0 H LYS A 21 4.804 2.298 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 21 7.459 2.055 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.653 4.023 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.430 4.459 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.183 3.937 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.305 5.452 -9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.955 4.512 -7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.734 5.322 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.007 7.219 -8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.498 6.439 -6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.189 8.120 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.785 6.580 -5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.279 7.336 -7.435 1.00 0.00 H new ATOM 276 N TYR A 22 7.249 2.785 -5.604 1.00 0.00 N ATOM 277 CA TYR A 22 7.979 2.725 -4.297 1.00 0.00 C ATOM 278 C TYR A 22 8.141 1.263 -3.839 1.00 0.00 C ATOM 279 O TYR A 22 9.233 0.774 -3.629 1.00 0.00 O ATOM 280 CB TYR A 22 7.113 3.488 -3.287 1.00 0.00 C ATOM 281 CG TYR A 22 7.925 4.064 -2.153 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.552 5.307 -2.297 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.002 3.378 -0.939 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.268 5.857 -1.227 1.00 0.00 C ATOM 285 CE2 TYR A 22 8.708 3.925 0.134 1.00 0.00 C ATOM 286 CZ TYR A 22 9.345 5.166 -0.007 1.00 0.00 C ATOM 287 OH TYR A 22 10.044 5.709 1.051 1.00 0.00 O ATOM 0 H TYR A 22 6.328 3.220 -5.550 1.00 0.00 H new ATOM 0 HA TYR A 22 8.975 3.158 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.587 4.293 -3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.354 2.818 -2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.484 5.842 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.514 2.421 -0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.760 6.812 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.763 3.393 1.072 1.00 0.00 H new ATOM 0 HH TYR A 22 9.997 5.103 1.820 1.00 0.00 H new ATOM 297 N PHE A 23 7.040 0.580 -3.687 1.00 0.00 N ATOM 298 CA PHE A 23 7.045 -0.845 -3.247 1.00 0.00 C ATOM 299 C PHE A 23 7.048 -1.744 -4.478 1.00 0.00 C ATOM 300 O PHE A 23 6.067 -2.386 -4.767 1.00 0.00 O ATOM 301 CB PHE A 23 5.779 -1.128 -2.424 1.00 0.00 C ATOM 302 CG PHE A 23 5.961 -0.624 -1.015 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.608 0.689 -0.693 1.00 0.00 C ATOM 304 CD2 PHE A 23 6.484 -1.470 -0.033 1.00 0.00 C ATOM 305 CE1 PHE A 23 5.780 1.160 0.614 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.657 -1.004 1.274 1.00 0.00 C ATOM 307 CZ PHE A 23 6.305 0.313 1.599 1.00 0.00 C ATOM 0 H PHE A 23 6.109 0.962 -3.855 1.00 0.00 H new ATOM 0 HA PHE A 23 7.929 -1.039 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.919 -0.643 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.573 -2.198 -2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.202 1.341 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.755 -2.485 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.508 2.175 0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.061 -1.658 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.438 0.675 2.608 1.00 0.00 H new ATOM 317 N ARG A 24 8.123 -1.765 -5.216 1.00 0.00 N ATOM 318 CA ARG A 24 8.179 -2.610 -6.456 1.00 0.00 C ATOM 319 C ARG A 24 7.533 -3.978 -6.202 1.00 0.00 C ATOM 320 O ARG A 24 8.189 -4.941 -5.858 1.00 0.00 O ATOM 321 CB ARG A 24 9.642 -2.800 -6.902 1.00 0.00 C ATOM 322 CG ARG A 24 10.136 -1.567 -7.688 1.00 0.00 C ATOM 323 CD ARG A 24 10.619 -0.483 -6.719 1.00 0.00 C ATOM 324 NE ARG A 24 11.749 -1.007 -5.901 1.00 0.00 N ATOM 325 CZ ARG A 24 12.508 -0.178 -5.236 1.00 0.00 C ATOM 326 NH1 ARG A 24 12.278 1.105 -5.296 1.00 0.00 N ATOM 327 NH2 ARG A 24 13.496 -0.631 -4.513 1.00 0.00 N ATOM 0 H ARG A 24 8.971 -1.234 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 24 7.627 -2.101 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.276 -2.959 -6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.725 -3.691 -7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.946 -1.854 -8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.331 -1.177 -8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.938 0.399 -7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.801 -0.172 -6.069 1.00 0.00 H new ATOM 0 HE ARG A 24 11.929 -2.010 -5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.506 1.459 -5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.870 1.754 -4.777 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.676 -1.634 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.088 0.018 -3.994 1.00 0.00 H new ATOM 341 N ILE A 25 6.239 -4.055 -6.381 1.00 0.00 N ATOM 342 CA ILE A 25 5.495 -5.335 -6.171 1.00 0.00 C ATOM 343 C ILE A 25 4.522 -5.494 -7.353 1.00 0.00 C ATOM 344 O ILE A 25 4.247 -4.552 -8.069 1.00 0.00 O ATOM 345 CB ILE A 25 4.734 -5.255 -4.802 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.490 -6.044 -3.699 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.302 -5.808 -4.906 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.693 -5.244 -3.160 1.00 0.00 C ATOM 0 H ILE A 25 5.655 -3.270 -6.669 1.00 0.00 H new ATOM 0 HA ILE A 25 6.160 -6.198 -6.133 1.00 0.00 H new ATOM 0 HB ILE A 25 4.686 -4.199 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.807 -6.273 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.835 -6.996 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.812 -5.733 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.741 -5.231 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.337 -6.853 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.200 -5.825 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.387 -5.037 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.343 -4.304 -2.734 1.00 0.00 H new ATOM 360 N GLY A 26 3.993 -6.669 -7.558 1.00 0.00 N ATOM 361 CA GLY A 26 3.035 -6.862 -8.685 1.00 0.00 C ATOM 362 C GLY A 26 1.821 -5.953 -8.479 1.00 0.00 C ATOM 363 O GLY A 26 1.152 -6.014 -7.467 1.00 0.00 O ATOM 0 H GLY A 26 4.181 -7.500 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.520 -6.631 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.719 -7.904 -8.734 1.00 0.00 H new ATOM 367 N GLU A 27 1.534 -5.109 -9.428 1.00 0.00 N ATOM 368 CA GLU A 27 0.366 -4.193 -9.286 1.00 0.00 C ATOM 369 C GLU A 27 -0.876 -4.993 -8.883 1.00 0.00 C ATOM 370 O GLU A 27 -1.474 -4.757 -7.852 1.00 0.00 O ATOM 371 CB GLU A 27 0.103 -3.497 -10.624 1.00 0.00 C ATOM 372 CG GLU A 27 1.309 -2.630 -11.004 1.00 0.00 C ATOM 373 CD GLU A 27 2.427 -3.515 -11.562 1.00 0.00 C ATOM 374 OE1 GLU A 27 2.117 -4.422 -12.317 1.00 0.00 O ATOM 375 OE2 GLU A 27 3.573 -3.270 -11.224 1.00 0.00 O ATOM 0 H GLU A 27 2.058 -5.012 -10.298 1.00 0.00 H new ATOM 0 HA GLU A 27 0.583 -3.451 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.082 -4.239 -11.400 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.793 -2.880 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.016 -1.887 -11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.666 -2.084 -10.131 1.00 0.00 H new ATOM 382 N ASN A 28 -1.272 -5.930 -9.699 1.00 0.00 N ATOM 383 CA ASN A 28 -2.481 -6.745 -9.387 1.00 0.00 C ATOM 384 C ASN A 28 -2.270 -7.531 -8.093 1.00 0.00 C ATOM 385 O ASN A 28 -3.211 -7.965 -7.460 1.00 0.00 O ATOM 386 CB ASN A 28 -2.738 -7.725 -10.529 1.00 0.00 C ATOM 387 CG ASN A 28 -1.515 -8.624 -10.717 1.00 0.00 C ATOM 388 OD1 ASN A 28 -0.552 -8.236 -11.348 1.00 0.00 O ATOM 389 ND2 ASN A 28 -1.513 -9.819 -10.192 1.00 0.00 N ATOM 0 H ASN A 28 -0.807 -6.168 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.335 -6.078 -9.266 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.617 -8.331 -10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.947 -7.180 -11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.703 -10.427 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.322 -10.145 -9.662 1.00 0.00 H new ATOM 396 N LYS A 29 -1.046 -7.716 -7.692 1.00 0.00 N ATOM 397 CA LYS A 29 -0.785 -8.474 -6.437 1.00 0.00 C ATOM 398 C LYS A 29 -1.337 -7.667 -5.260 1.00 0.00 C ATOM 399 O LYS A 29 -1.846 -8.211 -4.305 1.00 0.00 O ATOM 400 CB LYS A 29 0.730 -8.676 -6.275 1.00 0.00 C ATOM 401 CG LYS A 29 1.024 -9.824 -5.292 1.00 0.00 C ATOM 402 CD LYS A 29 0.674 -9.414 -3.836 1.00 0.00 C ATOM 403 CE LYS A 29 1.718 -9.979 -2.863 1.00 0.00 C ATOM 404 NZ LYS A 29 1.738 -11.466 -2.957 1.00 0.00 N ATOM 0 H LYS A 29 -0.215 -7.376 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.270 -9.450 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.178 -8.896 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.188 -7.755 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.448 -10.705 -5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.077 -10.099 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.640 -8.328 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.317 -9.785 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.703 -9.577 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.483 -9.672 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.274 -11.857 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.764 -11.829 -2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.190 -11.751 -3.849 1.00 0.00 H new ATOM 418 N LEU A 30 -1.247 -6.370 -5.338 1.00 0.00 N ATOM 419 CA LEU A 30 -1.768 -5.503 -4.241 1.00 0.00 C ATOM 420 C LEU A 30 -3.299 -5.484 -4.276 1.00 0.00 C ATOM 421 O LEU A 30 -3.957 -5.788 -3.302 1.00 0.00 O ATOM 422 CB LEU A 30 -1.246 -4.083 -4.450 1.00 0.00 C ATOM 423 CG LEU A 30 0.280 -4.034 -4.225 1.00 0.00 C ATOM 424 CD1 LEU A 30 0.902 -2.904 -5.063 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.586 -3.780 -2.743 1.00 0.00 C ATOM 0 H LEU A 30 -0.831 -5.867 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.436 -5.892 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.482 -3.746 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.744 -3.400 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 30 0.704 -4.991 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.979 -2.878 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.702 -3.082 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.466 -1.950 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.665 -3.747 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.149 -2.829 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.161 -4.583 -2.141 1.00 0.00 H new ATOM 437 N ARG A 31 -3.867 -5.117 -5.391 1.00 0.00 N ATOM 438 CA ARG A 31 -5.353 -5.062 -5.497 1.00 0.00 C ATOM 439 C ARG A 31 -5.975 -6.333 -4.910 1.00 0.00 C ATOM 440 O ARG A 31 -6.913 -6.275 -4.139 1.00 0.00 O ATOM 441 CB ARG A 31 -5.745 -4.941 -6.971 1.00 0.00 C ATOM 442 CG ARG A 31 -7.230 -4.589 -7.078 1.00 0.00 C ATOM 443 CD ARG A 31 -7.608 -4.418 -8.550 1.00 0.00 C ATOM 444 NE ARG A 31 -8.930 -3.741 -8.646 1.00 0.00 N ATOM 445 CZ ARG A 31 -9.309 -3.216 -9.777 1.00 0.00 C ATOM 446 NH1 ARG A 31 -8.528 -3.285 -10.821 1.00 0.00 N ATOM 447 NH2 ARG A 31 -10.466 -2.620 -9.864 1.00 0.00 N ATOM 0 H ARG A 31 -3.364 -4.851 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.719 -4.200 -4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.143 -4.173 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.544 -5.879 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.835 -5.375 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.438 -3.671 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.848 -3.831 -9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.648 -5.390 -9.042 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.538 -3.688 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.623 -3.749 -10.751 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.823 -2.875 -11.707 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.074 -2.565 -9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.763 -2.209 -10.749 1.00 0.00 H new ATOM 461 N ARG A 32 -5.471 -7.480 -5.275 1.00 0.00 N ATOM 462 CA ARG A 32 -6.045 -8.751 -4.746 1.00 0.00 C ATOM 463 C ARG A 32 -5.761 -8.874 -3.248 1.00 0.00 C ATOM 464 O ARG A 32 -6.584 -9.344 -2.492 1.00 0.00 O ATOM 465 CB ARG A 32 -5.415 -9.939 -5.480 1.00 0.00 C ATOM 466 CG ARG A 32 -5.837 -9.927 -6.957 1.00 0.00 C ATOM 467 CD ARG A 32 -7.323 -10.297 -7.102 1.00 0.00 C ATOM 468 NE ARG A 32 -7.559 -10.857 -8.462 1.00 0.00 N ATOM 469 CZ ARG A 32 -8.660 -11.510 -8.716 1.00 0.00 C ATOM 470 NH1 ARG A 32 -9.546 -11.686 -7.774 1.00 0.00 N ATOM 471 NH2 ARG A 32 -8.873 -11.989 -9.911 1.00 0.00 N ATOM 0 H ARG A 32 -4.686 -7.593 -5.917 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.123 -8.747 -4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.329 -9.890 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.726 -10.873 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.660 -8.939 -7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.225 -10.631 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.604 -11.026 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.946 -9.417 -6.945 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.860 -10.730 -9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.378 -11.313 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.407 -12.196 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.179 -11.853 -10.646 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.733 -12.499 -10.110 1.00 0.00 H new ATOM 485 N LEU A 33 -4.604 -8.464 -2.813 1.00 0.00 N ATOM 486 CA LEU A 33 -4.272 -8.573 -1.363 1.00 0.00 C ATOM 487 C LEU A 33 -5.262 -7.737 -0.542 1.00 0.00 C ATOM 488 O LEU A 33 -5.636 -8.103 0.553 1.00 0.00 O ATOM 489 CB LEU A 33 -2.834 -8.063 -1.139 1.00 0.00 C ATOM 490 CG LEU A 33 -2.188 -8.779 0.065 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.586 -10.117 -0.384 1.00 0.00 C ATOM 492 CD2 LEU A 33 -1.077 -7.898 0.655 1.00 0.00 C ATOM 0 H LEU A 33 -3.873 -8.058 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.343 -9.613 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.237 -8.235 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.846 -6.987 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.952 -8.961 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.132 -10.617 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.372 -10.749 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.826 -9.937 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.623 -8.406 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.318 -7.712 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.501 -6.949 0.984 1.00 0.00 H new ATOM 504 N ALA A 34 -5.678 -6.616 -1.059 1.00 0.00 N ATOM 505 CA ALA A 34 -6.638 -5.749 -0.311 1.00 0.00 C ATOM 506 C ALA A 34 -8.071 -6.225 -0.558 1.00 0.00 C ATOM 507 O ALA A 34 -8.744 -6.695 0.337 1.00 0.00 O ATOM 508 CB ALA A 34 -6.501 -4.310 -0.804 1.00 0.00 C ATOM 0 H ALA A 34 -5.395 -6.259 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.417 -5.804 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.199 -3.672 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.482 -3.962 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.724 -4.268 -1.870 1.00 0.00 H new ATOM 514 N GLU A 35 -8.542 -6.093 -1.768 1.00 0.00 N ATOM 515 CA GLU A 35 -9.936 -6.520 -2.089 1.00 0.00 C ATOM 516 C GLU A 35 -10.237 -7.883 -1.453 1.00 0.00 C ATOM 517 O GLU A 35 -11.362 -8.169 -1.094 1.00 0.00 O ATOM 518 CB GLU A 35 -10.092 -6.616 -3.611 1.00 0.00 C ATOM 519 CG GLU A 35 -10.289 -5.217 -4.203 1.00 0.00 C ATOM 520 CD GLU A 35 -11.689 -4.705 -3.856 1.00 0.00 C ATOM 521 OE1 GLU A 35 -12.510 -5.510 -3.449 1.00 0.00 O ATOM 522 OE2 GLU A 35 -11.916 -3.515 -4.005 1.00 0.00 O ATOM 0 H GLU A 35 -8.019 -5.706 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.637 -5.787 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.210 -7.084 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.944 -7.249 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.534 -4.536 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.160 -5.247 -5.285 1.00 0.00 H new ATOM 529 N GLU A 36 -9.252 -8.732 -1.314 1.00 0.00 N ATOM 530 CA GLU A 36 -9.513 -10.073 -0.704 1.00 0.00 C ATOM 531 C GLU A 36 -9.482 -9.956 0.826 1.00 0.00 C ATOM 532 O GLU A 36 -10.038 -10.776 1.530 1.00 0.00 O ATOM 533 CB GLU A 36 -8.460 -11.079 -1.200 1.00 0.00 C ATOM 534 CG GLU A 36 -7.127 -10.890 -0.451 1.00 0.00 C ATOM 535 CD GLU A 36 -7.116 -11.735 0.826 1.00 0.00 C ATOM 536 OE1 GLU A 36 -8.175 -12.199 1.215 1.00 0.00 O ATOM 537 OE2 GLU A 36 -6.048 -11.910 1.387 1.00 0.00 O ATOM 0 H GLU A 36 -8.286 -8.559 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.498 -10.430 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.824 -12.096 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.302 -10.949 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.296 -11.178 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.987 -9.838 -0.201 1.00 0.00 H new ATOM 544 N ASN A 37 -8.849 -8.928 1.341 1.00 0.00 N ATOM 545 CA ASN A 37 -8.784 -8.724 2.827 1.00 0.00 C ATOM 546 C ASN A 37 -9.269 -7.309 3.151 1.00 0.00 C ATOM 547 O ASN A 37 -8.566 -6.523 3.754 1.00 0.00 O ATOM 548 CB ASN A 37 -7.339 -8.886 3.313 1.00 0.00 C ATOM 549 CG ASN A 37 -6.980 -10.371 3.370 1.00 0.00 C ATOM 550 OD1 ASN A 37 -7.848 -11.221 3.341 1.00 0.00 O ATOM 551 ND2 ASN A 37 -5.726 -10.723 3.455 1.00 0.00 N ATOM 0 H ASN A 37 -8.370 -8.215 0.792 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.413 -9.462 3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.658 -8.363 2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.224 -8.436 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.475 -11.711 3.497 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.997 -10.010 3.479 1.00 0.00 H new ATOM 558 N LYS A 38 -10.464 -6.981 2.745 1.00 0.00 N ATOM 559 CA LYS A 38 -11.012 -5.619 3.013 1.00 0.00 C ATOM 560 C LYS A 38 -10.711 -5.209 4.461 1.00 0.00 C ATOM 561 O LYS A 38 -10.555 -4.043 4.767 1.00 0.00 O ATOM 562 CB LYS A 38 -12.532 -5.646 2.775 1.00 0.00 C ATOM 563 CG LYS A 38 -13.041 -4.265 2.322 1.00 0.00 C ATOM 564 CD LYS A 38 -12.557 -3.946 0.886 1.00 0.00 C ATOM 565 CE LYS A 38 -13.582 -3.057 0.171 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.808 -3.851 -0.125 1.00 0.00 N ATOM 0 H LYS A 38 -11.091 -7.603 2.234 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.547 -4.893 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.773 -6.393 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.042 -5.944 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.130 -4.244 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.685 -3.498 3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.591 -3.443 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.414 -4.871 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.833 -2.199 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.157 -2.665 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.296 -3.442 -0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.543 -4.835 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.442 -3.831 0.699 1.00 0.00 H new ATOM 580 N ASN A 39 -10.637 -6.161 5.354 1.00 0.00 N ATOM 581 CA ASN A 39 -10.357 -5.842 6.783 1.00 0.00 C ATOM 582 C ASN A 39 -8.869 -6.041 7.073 1.00 0.00 C ATOM 583 O ASN A 39 -8.469 -6.240 8.202 1.00 0.00 O ATOM 584 CB ASN A 39 -11.174 -6.782 7.668 1.00 0.00 C ATOM 585 CG ASN A 39 -12.660 -6.633 7.339 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.305 -5.708 7.791 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.234 -7.512 6.564 1.00 0.00 N ATOM 0 H ASN A 39 -10.760 -7.153 5.152 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.628 -4.806 6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.858 -7.813 7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.999 -6.552 8.719 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.225 -7.423 6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.692 -8.288 6.185 1.00 0.00 H new ATOM 594 N ALA A 40 -8.046 -5.986 6.066 1.00 0.00 N ATOM 595 CA ALA A 40 -6.586 -6.168 6.292 1.00 0.00 C ATOM 596 C ALA A 40 -6.118 -5.160 7.352 1.00 0.00 C ATOM 597 O ALA A 40 -6.588 -4.044 7.413 1.00 0.00 O ATOM 598 CB ALA A 40 -5.840 -5.939 4.962 1.00 0.00 C ATOM 0 H ALA A 40 -8.320 -5.823 5.097 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.377 -7.178 6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.769 -6.070 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.189 -6.657 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.033 -4.927 4.606 1.00 0.00 H new ATOM 604 N ASN A 41 -5.202 -5.543 8.189 1.00 0.00 N ATOM 605 CA ASN A 41 -4.711 -4.598 9.229 1.00 0.00 C ATOM 606 C ASN A 41 -3.734 -3.600 8.597 1.00 0.00 C ATOM 607 O ASN A 41 -3.197 -2.743 9.270 1.00 0.00 O ATOM 608 CB ASN A 41 -3.998 -5.382 10.332 1.00 0.00 C ATOM 609 CG ASN A 41 -3.633 -4.436 11.477 1.00 0.00 C ATOM 610 OD1 ASN A 41 -4.497 -3.540 11.867 1.00 0.00 O flip ATOM 611 ND2 ASN A 41 -2.551 -4.514 12.023 1.00 0.00 N flip ATOM 0 H ASN A 41 -4.771 -6.467 8.201 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.556 -4.056 9.655 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.642 -6.182 10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.099 -5.853 9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.875 -5.215 11.718 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.318 -3.879 12.786 1.00 0.00 H new ATOM 618 N TRP A 42 -3.474 -3.726 7.313 1.00 0.00 N ATOM 619 CA TRP A 42 -2.496 -2.809 6.632 1.00 0.00 C ATOM 620 C TRP A 42 -3.152 -2.037 5.474 1.00 0.00 C ATOM 621 O TRP A 42 -2.571 -1.108 4.948 1.00 0.00 O ATOM 622 CB TRP A 42 -1.358 -3.657 6.065 1.00 0.00 C ATOM 623 CG TRP A 42 -1.953 -4.801 5.315 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.105 -6.055 5.800 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.492 -4.815 3.964 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.708 -6.837 4.832 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.966 -6.117 3.682 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.615 -3.832 2.964 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.544 -6.433 2.454 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.194 -4.148 1.726 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.659 -5.444 1.472 1.00 0.00 C ATOM 0 H TRP A 42 -3.898 -4.427 6.705 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.134 -2.086 7.363 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.730 -3.057 5.406 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.719 -4.022 6.870 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.805 -6.390 6.782 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.934 -7.824 4.952 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.262 -2.829 3.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.900 -7.434 2.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.282 -3.387 0.964 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.106 -5.680 0.518 1.00 0.00 H new ATOM 642 N LEU A 43 -4.332 -2.414 5.043 1.00 0.00 N ATOM 643 CA LEU A 43 -4.970 -1.697 3.895 1.00 0.00 C ATOM 644 C LEU A 43 -5.853 -0.553 4.405 1.00 0.00 C ATOM 645 O LEU A 43 -6.293 -0.538 5.537 1.00 0.00 O ATOM 646 CB LEU A 43 -5.780 -2.730 3.070 1.00 0.00 C ATOM 647 CG LEU A 43 -7.297 -2.759 3.429 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.530 -2.832 4.961 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.036 -1.533 2.816 1.00 0.00 C ATOM 0 H LEU A 43 -4.878 -3.182 5.434 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.212 -1.247 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.670 -2.503 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.358 -3.722 3.229 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.714 -3.667 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.600 -2.850 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.069 -3.737 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.084 -1.960 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.093 -1.576 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.601 -0.613 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.932 -1.551 1.731 1.00 0.00 H new ATOM 661 N ILE A 44 -6.093 0.420 3.568 1.00 0.00 N ATOM 662 CA ILE A 44 -6.927 1.587 3.961 1.00 0.00 C ATOM 663 C ILE A 44 -7.789 1.972 2.755 1.00 0.00 C ATOM 664 O ILE A 44 -7.416 1.742 1.624 1.00 0.00 O ATOM 665 CB ILE A 44 -5.980 2.747 4.354 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.696 2.701 5.867 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.594 4.108 3.990 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.384 3.428 6.167 1.00 0.00 C ATOM 0 H ILE A 44 -5.739 0.454 2.612 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.574 1.358 4.808 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.049 2.627 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.515 3.167 6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.635 1.666 6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.908 4.905 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.772 4.151 2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.539 4.234 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.186 3.394 7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.568 2.942 5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.462 4.467 5.845 1.00 0.00 H new ATOM 680 N MET A 45 -8.933 2.563 2.992 1.00 0.00 N ATOM 681 CA MET A 45 -9.826 2.978 1.866 1.00 0.00 C ATOM 682 C MET A 45 -10.218 4.439 2.051 1.00 0.00 C ATOM 683 O MET A 45 -11.102 4.769 2.816 1.00 0.00 O ATOM 684 CB MET A 45 -11.088 2.111 1.853 1.00 0.00 C ATOM 685 CG MET A 45 -10.720 0.624 1.632 1.00 0.00 C ATOM 686 SD MET A 45 -11.876 -0.126 0.452 1.00 0.00 S ATOM 687 CE MET A 45 -11.417 0.860 -1.001 1.00 0.00 C ATOM 0 H MET A 45 -9.289 2.777 3.923 1.00 0.00 H new ATOM 0 HA MET A 45 -9.297 2.852 0.921 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.624 2.223 2.796 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.760 2.447 1.063 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.700 0.544 1.256 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.754 0.087 2.580 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.333 0.209 -1.871 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.182 1.614 -1.185 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.460 1.350 -0.821 1.00 0.00 H new ATOM 697 N ASN A 46 -9.565 5.316 1.345 1.00 0.00 N ATOM 698 CA ASN A 46 -9.887 6.766 1.458 1.00 0.00 C ATOM 699 C ASN A 46 -10.998 7.097 0.462 1.00 0.00 C ATOM 700 O ASN A 46 -10.746 7.520 -0.649 1.00 0.00 O ATOM 701 CB ASN A 46 -8.635 7.587 1.137 1.00 0.00 C ATOM 702 CG ASN A 46 -7.423 6.957 1.826 1.00 0.00 C ATOM 703 OD1 ASN A 46 -7.448 6.705 3.014 1.00 0.00 O ATOM 704 ND2 ASN A 46 -6.354 6.689 1.125 1.00 0.00 N ATOM 0 H ASN A 46 -8.817 5.090 0.690 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.218 7.004 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.477 7.622 0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.765 8.615 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.541 6.268 1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.332 6.900 0.127 1.00 0.00 H new ATOM 711 N GLY A 47 -12.228 6.889 0.844 1.00 0.00 N ATOM 712 CA GLY A 47 -13.355 7.171 -0.087 1.00 0.00 C ATOM 713 C GLY A 47 -13.510 5.993 -1.037 1.00 0.00 C ATOM 714 O GLY A 47 -14.448 5.226 -0.950 1.00 0.00 O ATOM 0 H GLY A 47 -12.501 6.536 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.277 7.329 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.162 8.086 -0.648 1.00 0.00 H new ATOM 718 N ASN A 48 -12.595 5.848 -1.955 1.00 0.00 N ATOM 719 CA ASN A 48 -12.684 4.724 -2.928 1.00 0.00 C ATOM 720 C ASN A 48 -11.276 4.272 -3.351 1.00 0.00 C ATOM 721 O ASN A 48 -11.117 3.270 -4.019 1.00 0.00 O ATOM 722 CB ASN A 48 -13.471 5.212 -4.146 1.00 0.00 C ATOM 723 CG ASN A 48 -14.033 4.015 -4.921 1.00 0.00 C ATOM 724 OD1 ASN A 48 -14.646 3.063 -4.274 1.00 0.00 O flip ATOM 725 ND2 ASN A 48 -13.913 3.948 -6.129 1.00 0.00 N flip ATOM 0 H ASN A 48 -11.788 6.461 -2.073 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.188 3.872 -2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.285 5.863 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.824 5.804 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.434 4.692 -6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.292 3.148 -6.636 1.00 0.00 H new ATOM 732 N ARG A 49 -10.253 5.003 -2.978 1.00 0.00 N ATOM 733 CA ARG A 49 -8.864 4.614 -3.369 1.00 0.00 C ATOM 734 C ARG A 49 -8.229 3.751 -2.276 1.00 0.00 C ATOM 735 O ARG A 49 -8.232 4.102 -1.113 1.00 0.00 O ATOM 736 CB ARG A 49 -8.027 5.881 -3.549 1.00 0.00 C ATOM 737 CG ARG A 49 -8.495 6.634 -4.801 1.00 0.00 C ATOM 738 CD ARG A 49 -8.009 8.087 -4.745 1.00 0.00 C ATOM 739 NE ARG A 49 -8.725 8.902 -5.781 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.706 8.576 -7.047 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.905 7.642 -7.480 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.452 9.230 -7.895 1.00 0.00 N ATOM 0 H ARG A 49 -10.322 5.853 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.900 4.045 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.123 6.520 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.972 5.622 -3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.109 6.146 -5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.583 6.607 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.189 8.503 -3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.933 8.127 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.240 9.733 -5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.286 7.159 -6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.898 7.395 -8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.047 9.992 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.440 8.979 -8.884 1.00 0.00 H new ATOM 756 N ILE A 50 -7.671 2.629 -2.646 1.00 0.00 N ATOM 757 CA ILE A 50 -7.017 1.744 -1.638 1.00 0.00 C ATOM 758 C ILE A 50 -5.565 2.193 -1.439 1.00 0.00 C ATOM 759 O ILE A 50 -4.780 2.169 -2.367 1.00 0.00 O ATOM 760 CB ILE A 50 -7.032 0.300 -2.147 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.474 -0.208 -2.188 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.203 -0.589 -1.215 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.527 -1.518 -2.976 1.00 0.00 C ATOM 0 H ILE A 50 -7.640 2.286 -3.606 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.555 1.806 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.603 0.267 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.845 -0.364 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.121 0.536 -2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.218 -1.615 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.175 -0.228 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.626 -0.557 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.554 -1.883 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.172 -1.346 -3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.893 -2.260 -2.491 1.00 0.00 H new ATOM 775 N GLN A 51 -5.196 2.598 -0.240 1.00 0.00 N ATOM 776 CA GLN A 51 -3.781 3.043 0.011 1.00 0.00 C ATOM 777 C GLN A 51 -3.068 2.007 0.896 1.00 0.00 C ATOM 778 O GLN A 51 -3.662 1.388 1.756 1.00 0.00 O ATOM 779 CB GLN A 51 -3.781 4.451 0.666 1.00 0.00 C ATOM 780 CG GLN A 51 -2.668 5.320 0.040 1.00 0.00 C ATOM 781 CD GLN A 51 -2.708 6.744 0.605 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.567 7.074 1.398 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.801 7.612 0.221 1.00 0.00 N ATOM 0 H GLN A 51 -5.812 2.639 0.572 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.239 3.114 -0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.751 4.928 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.624 4.362 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.695 4.872 0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.789 5.350 -1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.080 7.335 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.818 8.563 0.589 1.00 0.00 H new ATOM 792 N ILE A 52 -1.797 1.795 0.652 1.00 0.00 N ATOM 793 CA ILE A 52 -1.019 0.775 1.426 1.00 0.00 C ATOM 794 C ILE A 52 -0.356 1.416 2.654 1.00 0.00 C ATOM 795 O ILE A 52 0.009 2.573 2.642 1.00 0.00 O ATOM 796 CB ILE A 52 0.085 0.202 0.526 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.477 -0.225 -0.848 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.751 -0.991 1.216 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.331 -1.496 -0.750 1.00 0.00 C ATOM 0 H ILE A 52 -1.259 2.291 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.702 -0.009 1.754 1.00 0.00 H new ATOM 0 HB ILE A 52 0.826 0.983 0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.078 0.585 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.348 -0.395 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.533 -1.393 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.189 -0.667 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.006 -1.763 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.706 -1.760 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.723 -2.314 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.172 -1.319 -0.079 1.00 0.00 H new ATOM 811 N LYS A 53 -0.184 0.659 3.711 1.00 0.00 N ATOM 812 CA LYS A 53 0.465 1.215 4.940 1.00 0.00 C ATOM 813 C LYS A 53 1.988 1.206 4.771 1.00 0.00 C ATOM 814 O LYS A 53 2.652 0.222 5.021 1.00 0.00 O ATOM 815 CB LYS A 53 0.055 0.376 6.168 1.00 0.00 C ATOM 816 CG LYS A 53 -1.225 0.958 6.804 1.00 0.00 C ATOM 817 CD LYS A 53 -0.871 2.125 7.749 1.00 0.00 C ATOM 818 CE LYS A 53 -0.555 1.593 9.152 1.00 0.00 C ATOM 819 NZ LYS A 53 -1.740 0.863 9.686 1.00 0.00 N ATOM 0 H LYS A 53 -0.465 -0.319 3.776 1.00 0.00 H new ATOM 0 HA LYS A 53 0.136 2.243 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.115 -0.659 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.863 0.369 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.901 1.306 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.750 0.180 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.013 2.672 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.702 2.828 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.308 0.928 9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.294 2.418 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.959 1.209 10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.557 1.025 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.532 -0.155 9.725 1.00 0.00 H new ATOM 833 N ARG A 54 2.535 2.312 4.353 1.00 0.00 N ATOM 834 CA ARG A 54 4.009 2.415 4.158 1.00 0.00 C ATOM 835 C ARG A 54 4.760 1.872 5.379 1.00 0.00 C ATOM 836 O ARG A 54 5.466 0.894 5.296 1.00 0.00 O ATOM 837 CB ARG A 54 4.377 3.888 3.976 1.00 0.00 C ATOM 838 CG ARG A 54 5.819 4.008 3.456 1.00 0.00 C ATOM 839 CD ARG A 54 6.395 5.377 3.826 1.00 0.00 C ATOM 840 NE ARG A 54 6.847 5.353 5.245 1.00 0.00 N ATOM 841 CZ ARG A 54 7.635 6.289 5.697 1.00 0.00 C ATOM 842 NH1 ARG A 54 8.023 7.253 4.909 1.00 0.00 N ATOM 843 NH2 ARG A 54 8.035 6.261 6.939 1.00 0.00 N ATOM 0 H ARG A 54 2.016 3.162 4.135 1.00 0.00 H new ATOM 0 HA ARG A 54 4.289 1.830 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.688 4.360 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.278 4.416 4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.436 3.217 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.837 3.877 2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.230 5.622 3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.641 6.152 3.685 1.00 0.00 H new ATOM 0 HE ARG A 54 6.540 4.603 5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.710 7.275 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.639 7.985 5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.731 5.507 7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.651 6.993 7.293 1.00 0.00 H new ATOM 857 N LYS A 55 4.642 2.526 6.503 1.00 0.00 N ATOM 858 CA LYS A 55 5.383 2.075 7.720 1.00 0.00 C ATOM 859 C LYS A 55 5.291 0.556 7.906 1.00 0.00 C ATOM 860 O LYS A 55 6.280 -0.144 7.832 1.00 0.00 O ATOM 861 CB LYS A 55 4.799 2.765 8.963 1.00 0.00 C ATOM 862 CG LYS A 55 4.690 4.300 8.738 1.00 0.00 C ATOM 863 CD LYS A 55 3.219 4.721 8.557 1.00 0.00 C ATOM 864 CE LYS A 55 2.532 4.820 9.925 1.00 0.00 C ATOM 865 NZ LYS A 55 1.156 5.366 9.753 1.00 0.00 N ATOM 0 H LYS A 55 4.063 3.356 6.633 1.00 0.00 H new ATOM 0 HA LYS A 55 6.431 2.344 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.814 2.354 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.431 2.563 9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.123 4.829 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.266 4.585 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.167 5.681 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.699 3.996 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.488 3.837 10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.110 5.464 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.691 5.433 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.209 6.312 9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.607 4.735 9.135 1.00 0.00 H new ATOM 879 N GLN A 56 4.124 0.042 8.175 1.00 0.00 N ATOM 880 CA GLN A 56 3.990 -1.429 8.401 1.00 0.00 C ATOM 881 C GLN A 56 4.578 -2.215 7.223 1.00 0.00 C ATOM 882 O GLN A 56 5.365 -3.122 7.405 1.00 0.00 O ATOM 883 CB GLN A 56 2.505 -1.783 8.568 1.00 0.00 C ATOM 884 CG GLN A 56 2.335 -3.290 8.811 1.00 0.00 C ATOM 885 CD GLN A 56 3.103 -3.709 10.067 1.00 0.00 C ATOM 886 OE1 GLN A 56 2.762 -3.310 11.163 1.00 0.00 O ATOM 887 NE2 GLN A 56 4.132 -4.504 9.953 1.00 0.00 N ATOM 0 H GLN A 56 3.257 0.574 8.249 1.00 0.00 H new ATOM 0 HA GLN A 56 4.540 -1.698 9.303 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.084 -1.224 9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.952 -1.488 7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.278 -3.531 8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.699 -3.849 7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.418 -4.839 9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.650 -4.790 10.784 1.00 0.00 H new ATOM 896 N PHE A 57 4.187 -1.896 6.022 1.00 0.00 N ATOM 897 CA PHE A 57 4.709 -2.651 4.846 1.00 0.00 C ATOM 898 C PHE A 57 6.238 -2.498 4.747 1.00 0.00 C ATOM 899 O PHE A 57 6.950 -3.453 4.519 1.00 0.00 O ATOM 900 CB PHE A 57 4.025 -2.122 3.566 1.00 0.00 C ATOM 901 CG PHE A 57 3.866 -3.244 2.554 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.995 -3.925 2.080 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.592 -3.605 2.094 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.853 -4.958 1.154 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.451 -4.642 1.164 1.00 0.00 C ATOM 906 CZ PHE A 57 3.582 -5.319 0.693 1.00 0.00 C ATOM 0 H PHE A 57 3.530 -1.147 5.802 1.00 0.00 H new ATOM 0 HA PHE A 57 4.485 -3.711 4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.049 -1.704 3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.618 -1.315 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.978 -3.649 2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.719 -3.083 2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.726 -5.481 0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.469 -4.920 0.810 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.474 -6.119 -0.025 1.00 0.00 H new ATOM 916 N GLU A 58 6.744 -1.307 4.908 1.00 0.00 N ATOM 917 CA GLU A 58 8.221 -1.088 4.810 1.00 0.00 C ATOM 918 C GLU A 58 8.974 -2.094 5.692 1.00 0.00 C ATOM 919 O GLU A 58 10.092 -2.471 5.397 1.00 0.00 O ATOM 920 CB GLU A 58 8.546 0.345 5.263 1.00 0.00 C ATOM 921 CG GLU A 58 9.904 0.786 4.702 1.00 0.00 C ATOM 922 CD GLU A 58 11.023 -0.035 5.344 1.00 0.00 C ATOM 923 OE1 GLU A 58 11.124 -0.013 6.560 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.761 -0.670 4.609 1.00 0.00 O ATOM 0 H GLU A 58 6.197 -0.469 5.105 1.00 0.00 H new ATOM 0 HA GLU A 58 8.536 -1.232 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.766 1.027 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.561 0.395 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.920 0.656 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.061 1.847 4.898 1.00 0.00 H new ATOM 931 N LYS A 59 8.386 -2.526 6.772 1.00 0.00 N ATOM 932 CA LYS A 59 9.096 -3.489 7.663 1.00 0.00 C ATOM 933 C LYS A 59 9.216 -4.845 6.981 1.00 0.00 C ATOM 934 O LYS A 59 9.865 -5.737 7.492 1.00 0.00 O ATOM 935 CB LYS A 59 8.303 -3.688 8.959 1.00 0.00 C ATOM 936 CG LYS A 59 8.012 -2.336 9.632 1.00 0.00 C ATOM 937 CD LYS A 59 9.231 -1.854 10.436 1.00 0.00 C ATOM 938 CE LYS A 59 9.506 -2.786 11.632 1.00 0.00 C ATOM 939 NZ LYS A 59 10.061 -1.987 12.759 1.00 0.00 N ATOM 0 H LYS A 59 7.450 -2.257 7.076 1.00 0.00 H new ATOM 0 HA LYS A 59 10.085 -3.084 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.366 -4.201 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.865 -4.326 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.754 -1.596 8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.150 -2.431 10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.107 -1.819 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.057 -0.839 10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.586 -3.282 11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.209 -3.568 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.248 -2.612 13.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.948 -1.534 12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.375 -1.256 13.037 1.00 0.00 H new ATOM 953 N ILE A 60 8.587 -5.025 5.846 1.00 0.00 N ATOM 954 CA ILE A 60 8.662 -6.349 5.152 1.00 0.00 C ATOM 955 C ILE A 60 8.933 -6.184 3.652 1.00 0.00 C ATOM 956 O ILE A 60 8.467 -6.967 2.855 1.00 0.00 O ATOM 957 CB ILE A 60 7.342 -7.098 5.343 1.00 0.00 C ATOM 958 CG1 ILE A 60 6.175 -6.189 4.951 1.00 0.00 C ATOM 959 CG2 ILE A 60 7.195 -7.512 6.809 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.870 -6.987 4.985 1.00 0.00 C ATOM 0 H ILE A 60 8.027 -4.317 5.371 1.00 0.00 H new ATOM 0 HA ILE A 60 9.487 -6.912 5.589 1.00 0.00 H new ATOM 0 HB ILE A 60 7.337 -7.987 4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.114 -5.343 5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.338 -5.781 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.254 -8.046 6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.024 -8.162 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.202 -6.624 7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.040 -6.339 4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.933 -7.818 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.706 -7.374 5.991 1.00 0.00 H new ATOM 972 N ILE A 61 9.678 -5.196 3.244 1.00 0.00 N ATOM 973 CA ILE A 61 9.944 -5.052 1.780 1.00 0.00 C ATOM 974 C ILE A 61 10.981 -6.099 1.346 1.00 0.00 C ATOM 975 O ILE A 61 10.968 -6.572 0.227 1.00 0.00 O ATOM 976 CB ILE A 61 10.464 -3.639 1.478 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.872 -3.521 -0.002 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.676 -3.351 2.357 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.718 -3.957 -0.911 1.00 0.00 C ATOM 0 H ILE A 61 10.108 -4.493 3.844 1.00 0.00 H new ATOM 0 HA ILE A 61 9.019 -5.210 1.226 1.00 0.00 H new ATOM 0 HB ILE A 61 9.671 -2.920 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.152 -2.492 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.749 -4.140 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 61 12.049 -2.349 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 61 11.389 -3.418 3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.459 -4.080 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.023 -3.868 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.458 -4.993 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.852 -3.320 -0.730 1.00 0.00 H new ATOM 991 N ASP A 62 11.883 -6.467 2.222 1.00 0.00 N ATOM 992 CA ASP A 62 12.926 -7.483 1.859 1.00 0.00 C ATOM 993 C ASP A 62 12.511 -8.875 2.355 1.00 0.00 C ATOM 994 O ASP A 62 13.180 -9.857 2.103 1.00 0.00 O ATOM 995 CB ASP A 62 14.253 -7.093 2.512 1.00 0.00 C ATOM 996 CG ASP A 62 14.826 -5.862 1.806 1.00 0.00 C ATOM 997 OD1 ASP A 62 15.351 -6.020 0.716 1.00 0.00 O ATOM 998 OD2 ASP A 62 14.729 -4.783 2.367 1.00 0.00 O ATOM 0 H ASP A 62 11.944 -6.109 3.175 1.00 0.00 H new ATOM 0 HA ASP A 62 13.033 -7.510 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.101 -6.881 3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.958 -7.922 2.451 1.00 0.00 H new ATOM 1003 N THR A 63 11.420 -8.966 3.064 1.00 0.00 N ATOM 1004 CA THR A 63 10.963 -10.290 3.590 1.00 0.00 C ATOM 1005 C THR A 63 10.108 -10.989 2.530 1.00 0.00 C ATOM 1006 O THR A 63 9.784 -12.154 2.647 1.00 0.00 O ATOM 1007 CB THR A 63 10.155 -10.037 4.887 1.00 0.00 C ATOM 1008 OG1 THR A 63 10.915 -10.475 6.002 1.00 0.00 O ATOM 1009 CG2 THR A 63 8.790 -10.752 4.899 1.00 0.00 C ATOM 0 H THR A 63 10.820 -8.177 3.305 1.00 0.00 H new ATOM 0 HA THR A 63 11.810 -10.937 3.816 1.00 0.00 H new ATOM 0 HB THR A 63 9.959 -8.966 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.409 -10.316 6.826 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.274 -10.535 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.188 -10.400 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.942 -11.828 4.810 1.00 0.00 H new ATOM 1017 N LEU A 64 9.720 -10.282 1.515 1.00 0.00 N ATOM 1018 CA LEU A 64 8.861 -10.906 0.478 1.00 0.00 C ATOM 1019 C LEU A 64 9.716 -11.836 -0.393 1.00 0.00 C ATOM 1020 O LEU A 64 10.250 -12.822 0.074 1.00 0.00 O ATOM 1021 CB LEU A 64 8.209 -9.818 -0.401 1.00 0.00 C ATOM 1022 CG LEU A 64 8.006 -8.506 0.380 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.441 -7.440 -0.562 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.030 -8.725 1.549 1.00 0.00 C ATOM 0 H LEU A 64 9.958 -9.303 1.357 1.00 0.00 H new ATOM 0 HA LEU A 64 8.072 -11.480 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.835 -9.630 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.248 -10.175 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 64 8.966 -8.178 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.296 -6.510 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.139 -7.272 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.485 -7.778 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.896 -7.789 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.068 -9.060 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.433 -9.481 2.223 1.00 0.00 H new