USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD Set 1.1: B 24 THR OG1 : rot -148:sc= -0.0344 USER MOD Set 1.2: B 26 ASN :FLIP amide:sc= -0.793 F(o=-4.4!,f=-0.83) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0116) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -80:sc= 0.594 USER MOD Single : A 25 HIS : no HD1:sc= 1.09 K(o=1.1,f=-3.8!) USER MOD Single : A 26 ASN : amide:sc= 0.816 K(o=0.82,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0.0402 (180deg=0.0392) USER MOD Single : A 45 THR OG1 : rot 73:sc= 0.949 USER MOD Single : B 2 TYR OH : rot 180:sc= -0.0805 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.0323 K(o=-0.032,f=-2.1!) USER MOD Single : B 17 TYR OH : rot 177:sc= 0.784 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 HIS : +bothHN:sc= 0.359 K(o=0.36,f=-5.2!) USER MOD Single : B 45 THR OG1 : rot 74:sc= 1.27 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.541 13.345 -12.368 1.00 0.00 C HETATM 2 O ACE A 0 2.775 13.370 -13.576 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.676 14.411 -11.739 1.00 0.00 C HETATM 0 H1 ACE A 0 0.804 13.947 -11.279 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.248 14.942 -10.978 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.351 15.115 -12.505 1.00 0.00 H new ATOM 7 N ASP A 1 3.009 12.408 -11.545 1.00 0.00 N ATOM 8 CA ASP A 1 3.908 11.313 -11.958 1.00 0.00 C ATOM 9 C ASP A 1 3.633 9.976 -11.252 1.00 0.00 C ATOM 10 O ASP A 1 3.785 8.908 -11.850 1.00 0.00 O ATOM 11 CB ASP A 1 5.358 11.750 -11.705 1.00 0.00 C ATOM 12 CG ASP A 1 6.378 10.782 -12.330 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.481 10.732 -13.580 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.103 10.094 -11.573 1.00 0.00 O ATOM 0 H ASP A 1 2.774 12.381 -10.553 1.00 0.00 H new ATOM 0 HA ASP A 1 3.725 11.130 -13.017 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.511 12.749 -12.114 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.533 11.815 -10.631 1.00 0.00 H new ATOM 19 N TYR A 2 3.156 10.033 -10.003 1.00 0.00 N ATOM 20 CA TYR A 2 2.842 8.850 -9.184 1.00 0.00 C ATOM 21 C TYR A 2 1.894 7.878 -9.879 1.00 0.00 C ATOM 22 O TYR A 2 2.029 6.674 -9.723 1.00 0.00 O ATOM 23 CB TYR A 2 2.142 9.228 -7.869 1.00 0.00 C ATOM 24 CG TYR A 2 2.656 10.441 -7.134 1.00 0.00 C ATOM 25 CD1 TYR A 2 3.990 10.494 -6.699 1.00 0.00 C ATOM 26 CD2 TYR A 2 1.768 11.494 -6.842 1.00 0.00 C ATOM 27 CE1 TYR A 2 4.440 11.607 -5.968 1.00 0.00 C ATOM 28 CE2 TYR A 2 2.212 12.605 -6.107 1.00 0.00 C ATOM 29 CZ TYR A 2 3.555 12.669 -5.668 1.00 0.00 C ATOM 30 OH TYR A 2 4.001 13.743 -4.958 1.00 0.00 O ATOM 0 H TYR A 2 2.974 10.914 -9.523 1.00 0.00 H new ATOM 0 HA TYR A 2 3.813 8.387 -9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 2 1.085 9.387 -8.083 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.206 8.373 -7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 2 4.667 9.683 -6.925 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.745 11.447 -7.184 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.466 11.652 -5.634 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.529 13.409 -5.877 1.00 0.00 H new ATOM 0 HH TYR A 2 3.269 14.383 -4.839 1.00 0.00 H new ATOM 40 N LEU A 3 0.919 8.410 -10.617 1.00 0.00 N ATOM 41 CA LEU A 3 -0.227 7.677 -11.161 1.00 0.00 C ATOM 42 C LEU A 3 0.194 6.654 -12.223 1.00 0.00 C ATOM 43 O LEU A 3 -0.373 5.564 -12.309 1.00 0.00 O ATOM 44 CB LEU A 3 -1.223 8.695 -11.737 1.00 0.00 C ATOM 45 CG LEU A 3 -1.803 9.649 -10.676 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.590 10.769 -11.352 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.727 8.924 -9.692 1.00 0.00 C ATOM 0 H LEU A 3 0.904 9.400 -10.862 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.697 7.106 -10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.726 9.282 -12.510 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.041 8.160 -12.220 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.959 10.057 -10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.996 11.438 -10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.930 11.329 -12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.407 10.341 -11.932 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.112 9.636 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.559 8.476 -10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.168 8.143 -9.176 1.00 0.00 H new ATOM 59 N ARG A 4 1.238 6.988 -12.992 1.00 0.00 N ATOM 60 CA ARG A 4 1.900 6.055 -13.908 1.00 0.00 C ATOM 61 C ARG A 4 2.808 5.082 -13.160 1.00 0.00 C ATOM 62 O ARG A 4 2.748 3.892 -13.442 1.00 0.00 O ATOM 63 CB ARG A 4 2.627 6.843 -15.006 1.00 0.00 C ATOM 64 CG ARG A 4 3.254 5.923 -16.070 1.00 0.00 C ATOM 65 CD ARG A 4 3.242 6.575 -17.458 1.00 0.00 C ATOM 66 NE ARG A 4 1.881 6.554 -18.037 1.00 0.00 N ATOM 67 CZ ARG A 4 1.315 7.464 -18.810 1.00 0.00 C ATOM 68 NH1 ARG A 4 1.943 8.536 -19.202 1.00 0.00 N ATOM 69 NH2 ARG A 4 0.085 7.309 -19.210 1.00 0.00 N ATOM 0 H ARG A 4 1.649 7.921 -12.995 1.00 0.00 H new ATOM 0 HA ARG A 4 1.150 5.431 -14.394 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.925 7.524 -15.487 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.407 7.456 -14.554 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.280 5.686 -15.788 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.707 4.981 -16.105 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.595 7.604 -17.384 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.931 6.048 -18.118 1.00 0.00 H new ATOM 0 HE ARG A 4 1.311 5.739 -17.812 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.908 8.697 -18.912 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.470 9.215 -19.799 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.443 6.484 -18.927 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.350 8.013 -19.807 1.00 0.00 H new ATOM 83 N GLU A 5 3.574 5.535 -12.163 1.00 0.00 N ATOM 84 CA GLU A 5 4.384 4.634 -11.316 1.00 0.00 C ATOM 85 C GLU A 5 3.525 3.567 -10.594 1.00 0.00 C ATOM 86 O GLU A 5 3.931 2.411 -10.457 1.00 0.00 O ATOM 87 CB GLU A 5 5.224 5.464 -10.333 1.00 0.00 C ATOM 88 CG GLU A 5 6.224 4.601 -9.555 1.00 0.00 C ATOM 89 CD GLU A 5 7.190 5.469 -8.725 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.815 5.905 -7.609 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.339 5.705 -9.173 1.00 0.00 O ATOM 0 H GLU A 5 3.655 6.522 -11.917 1.00 0.00 H new ATOM 0 HA GLU A 5 5.059 4.075 -11.963 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.763 6.237 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.563 5.973 -9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.684 3.922 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.793 3.984 -10.251 1.00 0.00 H new ATOM 98 N LEU A 6 2.304 3.947 -10.208 1.00 0.00 N ATOM 99 CA LEU A 6 1.258 3.130 -9.592 1.00 0.00 C ATOM 100 C LEU A 6 0.894 1.892 -10.432 1.00 0.00 C ATOM 101 O LEU A 6 0.848 0.776 -9.913 1.00 0.00 O ATOM 102 CB LEU A 6 0.027 4.047 -9.380 1.00 0.00 C ATOM 103 CG LEU A 6 -0.527 4.112 -7.954 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.496 4.569 -6.909 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.673 5.130 -7.891 1.00 0.00 C ATOM 0 H LEU A 6 1.998 4.913 -10.329 1.00 0.00 H new ATOM 0 HA LEU A 6 1.619 2.734 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.294 5.057 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.770 3.710 -10.043 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.840 3.094 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.027 4.589 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.337 3.876 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.853 5.568 -7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.065 5.174 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.302 6.114 -8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.467 4.827 -8.574 1.00 0.00 H new ATOM 117 N LEU A 7 0.663 2.086 -11.736 1.00 0.00 N ATOM 118 CA LEU A 7 0.259 1.063 -12.685 1.00 0.00 C ATOM 119 C LEU A 7 1.452 0.373 -13.389 1.00 0.00 C ATOM 120 O LEU A 7 1.323 -0.788 -13.778 1.00 0.00 O ATOM 121 CB LEU A 7 -0.850 1.663 -13.584 1.00 0.00 C ATOM 122 CG LEU A 7 -0.620 1.637 -15.095 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.934 1.899 -15.833 1.00 0.00 C ATOM 124 CD2 LEU A 7 0.384 2.675 -15.591 1.00 0.00 C ATOM 0 H LEU A 7 0.759 3.004 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.183 0.206 -12.178 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.778 1.131 -13.375 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.003 2.700 -13.284 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.218 0.645 -15.302 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.758 1.878 -16.908 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.659 1.129 -15.569 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.323 2.877 -15.548 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.490 2.591 -16.673 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.029 3.674 -15.338 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.350 2.502 -15.117 1.00 0.00 H new ATOM 136 N LYS A 8 2.635 1.013 -13.446 1.00 0.00 N ATOM 137 CA LYS A 8 3.942 0.492 -13.934 1.00 0.00 C ATOM 138 C LYS A 8 4.534 -0.663 -13.105 1.00 0.00 C ATOM 139 O LYS A 8 5.715 -0.992 -13.222 1.00 0.00 O ATOM 140 CB LYS A 8 4.935 1.668 -14.055 1.00 0.00 C ATOM 141 CG LYS A 8 4.767 2.432 -15.381 1.00 0.00 C ATOM 142 CD LYS A 8 5.674 1.883 -16.498 1.00 0.00 C ATOM 143 CE LYS A 8 7.160 2.238 -16.307 1.00 0.00 C ATOM 144 NZ LYS A 8 7.431 3.683 -16.536 1.00 0.00 N ATOM 0 H LYS A 8 2.717 1.980 -13.131 1.00 0.00 H new ATOM 0 HA LYS A 8 3.756 0.044 -14.910 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.788 2.354 -13.221 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.955 1.290 -13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.727 2.373 -15.701 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.992 3.486 -15.220 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.569 0.799 -16.541 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.335 2.274 -17.457 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.468 1.969 -15.297 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.764 1.644 -16.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.453 3.860 -16.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.100 3.952 -17.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.929 4.248 -15.821 1.00 0.00 H new ATOM 158 N GLY A 9 3.695 -1.304 -12.301 1.00 0.00 N ATOM 159 CA GLY A 9 3.995 -2.573 -11.653 1.00 0.00 C ATOM 160 C GLY A 9 2.886 -3.589 -11.452 1.00 0.00 C ATOM 161 O GLY A 9 3.178 -4.783 -11.497 1.00 0.00 O ATOM 0 H GLY A 9 2.766 -0.947 -12.077 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.781 -3.058 -12.232 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.414 -2.348 -10.672 1.00 0.00 H new ATOM 165 N GLU A 10 1.625 -3.188 -11.294 1.00 0.00 N ATOM 166 CA GLU A 10 0.559 -4.215 -11.167 1.00 0.00 C ATOM 167 C GLU A 10 0.429 -5.109 -12.409 1.00 0.00 C ATOM 168 O GLU A 10 0.107 -6.293 -12.275 1.00 0.00 O ATOM 169 CB GLU A 10 -0.812 -3.633 -10.772 1.00 0.00 C ATOM 170 CG GLU A 10 -0.872 -3.221 -9.290 1.00 0.00 C ATOM 171 CD GLU A 10 -2.244 -3.433 -8.631 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.235 -4.030 -9.085 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.437 -3.416 -7.405 1.00 0.00 O ATOM 0 H GLU A 10 1.314 -2.218 -11.251 1.00 0.00 H new ATOM 0 HA GLU A 10 0.891 -4.845 -10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.029 -2.766 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.588 -4.372 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.124 -3.789 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.600 -2.169 -9.206 1.00 0.00 H new ATOM 180 N LEU A 11 0.762 -4.614 -13.610 1.00 0.00 N ATOM 181 CA LEU A 11 0.706 -5.422 -14.818 1.00 0.00 C ATOM 182 C LEU A 11 1.776 -6.521 -14.925 1.00 0.00 C ATOM 183 O LEU A 11 1.604 -7.490 -15.665 1.00 0.00 O ATOM 184 CB LEU A 11 0.643 -4.454 -15.989 1.00 0.00 C ATOM 185 CG LEU A 11 1.927 -3.651 -16.208 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.917 -4.379 -17.119 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.559 -2.311 -16.832 1.00 0.00 C ATOM 0 H LEU A 11 1.073 -3.654 -13.762 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.192 -6.040 -14.806 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.418 -5.014 -16.897 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.183 -3.761 -15.829 1.00 0.00 H new ATOM 0 HG LEU A 11 2.413 -3.515 -15.242 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.812 -3.770 -17.244 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.189 -5.335 -16.671 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.457 -4.552 -18.092 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.463 -1.725 -16.995 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.058 -2.479 -17.786 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.891 -1.769 -16.162 1.00 0.00 H new ATOM 199 N GLN A 12 2.851 -6.404 -14.144 1.00 0.00 N ATOM 200 CA GLN A 12 3.918 -7.389 -14.024 1.00 0.00 C ATOM 201 C GLN A 12 3.453 -8.645 -13.258 1.00 0.00 C ATOM 202 O GLN A 12 3.988 -9.737 -13.454 1.00 0.00 O ATOM 203 CB GLN A 12 5.117 -6.696 -13.350 1.00 0.00 C ATOM 204 CG GLN A 12 6.424 -7.511 -13.439 1.00 0.00 C ATOM 205 CD GLN A 12 6.932 -7.988 -12.075 1.00 0.00 C ATOM 206 OE1 GLN A 12 6.278 -8.726 -11.351 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.118 -7.586 -11.665 1.00 0.00 N ATOM 0 H GLN A 12 3.005 -5.585 -13.555 1.00 0.00 H new ATOM 0 HA GLN A 12 4.213 -7.750 -15.009 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.272 -5.722 -13.814 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.881 -6.515 -12.301 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.262 -8.376 -14.082 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.193 -6.901 -13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.679 -6.970 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.475 -7.890 -10.759 1.00 0.00 H new ATOM 216 N GLY A 13 2.405 -8.505 -12.435 1.00 0.00 N ATOM 217 CA GLY A 13 1.845 -9.579 -11.621 1.00 0.00 C ATOM 218 C GLY A 13 0.862 -10.438 -12.406 1.00 0.00 C ATOM 219 O GLY A 13 0.866 -11.656 -12.233 1.00 0.00 O ATOM 0 H GLY A 13 1.915 -7.618 -12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.653 -10.206 -11.243 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.341 -9.152 -10.754 1.00 0.00 H new ATOM 223 N ILE A 14 0.085 -9.844 -13.330 1.00 0.00 N ATOM 224 CA ILE A 14 -0.923 -10.586 -14.124 1.00 0.00 C ATOM 225 C ILE A 14 -0.321 -11.829 -14.797 1.00 0.00 C ATOM 226 O ILE A 14 -0.889 -12.925 -14.758 1.00 0.00 O ATOM 227 CB ILE A 14 -1.557 -9.670 -15.197 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.136 -8.357 -14.630 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.635 -10.420 -15.998 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.220 -8.537 -13.565 1.00 0.00 C ATOM 0 H ILE A 14 0.133 -8.849 -13.549 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.695 -10.917 -13.429 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.739 -9.389 -15.861 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.321 -7.772 -14.203 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.549 -7.774 -15.453 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.064 -9.752 -16.745 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.186 -11.280 -16.495 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.420 -10.760 -15.322 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.565 -7.559 -13.228 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.058 -9.091 -13.989 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.811 -9.089 -12.719 1.00 0.00 H new ATOM 242 N LYS A 15 0.867 -11.651 -15.380 1.00 0.00 N ATOM 243 CA LYS A 15 1.545 -12.654 -16.208 1.00 0.00 C ATOM 244 C LYS A 15 2.312 -13.708 -15.401 1.00 0.00 C ATOM 245 O LYS A 15 2.660 -14.761 -15.933 1.00 0.00 O ATOM 246 CB LYS A 15 2.441 -11.940 -17.239 1.00 0.00 C ATOM 247 CG LYS A 15 2.512 -12.697 -18.575 1.00 0.00 C ATOM 248 CD LYS A 15 3.448 -11.981 -19.560 1.00 0.00 C ATOM 249 CE LYS A 15 3.367 -12.630 -20.948 1.00 0.00 C ATOM 250 NZ LYS A 15 4.320 -12.004 -21.902 1.00 0.00 N ATOM 0 H LYS A 15 1.398 -10.785 -15.288 1.00 0.00 H new ATOM 0 HA LYS A 15 0.777 -13.224 -16.731 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.059 -10.934 -17.414 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.446 -11.833 -16.831 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.866 -13.713 -18.404 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.514 -12.776 -19.007 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.176 -10.928 -19.628 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.473 -12.023 -19.192 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.582 -13.695 -20.865 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.352 -12.538 -21.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.238 -12.468 -22.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.099 -10.992 -22.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.291 -12.114 -21.545 1.00 0.00 H new ATOM 264 N GLN A 16 2.536 -13.452 -14.112 1.00 0.00 N ATOM 265 CA GLN A 16 3.111 -14.388 -13.156 1.00 0.00 C ATOM 266 C GLN A 16 2.031 -15.192 -12.433 1.00 0.00 C ATOM 267 O GLN A 16 2.169 -16.404 -12.287 1.00 0.00 O ATOM 268 CB GLN A 16 3.951 -13.570 -12.167 1.00 0.00 C ATOM 269 CG GLN A 16 5.271 -13.031 -12.750 1.00 0.00 C ATOM 270 CD GLN A 16 6.434 -14.010 -12.592 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.267 -13.884 -11.705 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.550 -15.019 -13.431 1.00 0.00 N ATOM 0 H GLN A 16 2.312 -12.550 -13.692 1.00 0.00 H new ATOM 0 HA GLN A 16 3.733 -15.118 -13.674 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.355 -12.730 -11.811 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.177 -14.191 -11.300 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.131 -12.808 -13.808 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.523 -12.092 -12.257 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.866 -15.142 -14.178 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.323 -15.677 -13.334 1.00 0.00 H new ATOM 281 N TYR A 17 0.913 -14.568 -12.064 1.00 0.00 N ATOM 282 CA TYR A 17 -0.210 -15.243 -11.415 1.00 0.00 C ATOM 283 C TYR A 17 -0.814 -16.367 -12.258 1.00 0.00 C ATOM 284 O TYR A 17 -1.113 -17.439 -11.726 1.00 0.00 O ATOM 285 CB TYR A 17 -1.304 -14.229 -11.081 1.00 0.00 C ATOM 286 CG TYR A 17 -1.074 -13.434 -9.810 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.875 -14.108 -8.589 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.109 -12.027 -9.836 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.692 -13.379 -7.402 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.923 -11.294 -8.650 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.723 -11.970 -7.429 1.00 0.00 C ATOM 292 OH TYR A 17 -0.656 -11.271 -6.267 1.00 0.00 O ATOM 0 H TYR A 17 0.760 -13.570 -12.209 1.00 0.00 H new ATOM 0 HA TYR A 17 0.190 -15.698 -10.509 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.400 -13.533 -11.915 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.254 -14.757 -10.995 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.863 -15.188 -8.565 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.279 -11.509 -10.768 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.528 -13.898 -6.469 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.933 -10.214 -8.675 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.688 -10.311 -6.461 1.00 0.00 H new ATOM 302 N ARG A 18 -0.954 -16.156 -13.576 1.00 0.00 N ATOM 303 CA ARG A 18 -1.472 -17.165 -14.500 1.00 0.00 C ATOM 304 C ARG A 18 -0.578 -18.412 -14.590 1.00 0.00 C ATOM 305 O ARG A 18 -1.044 -19.485 -14.964 1.00 0.00 O ATOM 306 CB ARG A 18 -1.722 -16.480 -15.856 1.00 0.00 C ATOM 307 CG ARG A 18 -0.457 -16.115 -16.657 1.00 0.00 C ATOM 308 CD ARG A 18 0.060 -17.249 -17.561 1.00 0.00 C ATOM 309 NE ARG A 18 -0.357 -17.067 -18.968 1.00 0.00 N ATOM 310 CZ ARG A 18 0.399 -16.687 -19.984 1.00 0.00 C ATOM 311 NH1 ARG A 18 1.663 -16.397 -19.846 1.00 0.00 N ATOM 312 NH2 ARG A 18 -0.107 -16.591 -21.180 1.00 0.00 N ATOM 0 H ARG A 18 -0.709 -15.275 -14.028 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.416 -17.560 -14.124 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.341 -17.137 -16.467 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.297 -15.570 -15.683 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.669 -15.241 -17.273 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.332 -15.831 -15.961 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.148 -17.289 -17.507 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.312 -18.205 -17.193 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.337 -17.256 -19.178 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.103 -16.460 -18.928 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.211 -16.108 -20.656 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.091 -16.809 -21.336 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.481 -16.297 -21.960 1.00 0.00 H new ATOM 326 N GLU A 19 0.701 -18.266 -14.233 1.00 0.00 N ATOM 327 CA GLU A 19 1.721 -19.321 -14.240 1.00 0.00 C ATOM 328 C GLU A 19 1.928 -19.949 -12.850 1.00 0.00 C ATOM 329 O GLU A 19 2.249 -21.127 -12.733 1.00 0.00 O ATOM 330 CB GLU A 19 3.028 -18.674 -14.719 1.00 0.00 C ATOM 331 CG GLU A 19 3.977 -19.671 -15.393 1.00 0.00 C ATOM 332 CD GLU A 19 5.141 -18.938 -16.087 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.171 -18.658 -15.427 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.036 -18.642 -17.303 1.00 0.00 O ATOM 0 H GLU A 19 1.071 -17.370 -13.917 1.00 0.00 H new ATOM 0 HA GLU A 19 1.400 -20.129 -14.897 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.795 -17.872 -15.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.534 -18.217 -13.869 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.370 -20.365 -14.650 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.428 -20.265 -16.124 1.00 0.00 H new ATOM 341 N ALA A 20 1.708 -19.179 -11.784 1.00 0.00 N ATOM 342 CA ALA A 20 1.852 -19.607 -10.393 1.00 0.00 C ATOM 343 C ALA A 20 0.837 -20.683 -9.992 1.00 0.00 C ATOM 344 O ALA A 20 1.172 -21.551 -9.182 1.00 0.00 O ATOM 345 CB ALA A 20 1.732 -18.371 -9.492 1.00 0.00 C ATOM 0 H ALA A 20 1.414 -18.206 -11.869 1.00 0.00 H new ATOM 0 HA ALA A 20 2.832 -20.070 -10.274 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.837 -18.670 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.516 -17.658 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.757 -17.906 -9.640 1.00 0.00 H new ATOM 351 N LEU A 21 -0.361 -20.687 -10.600 1.00 0.00 N ATOM 352 CA LEU A 21 -1.360 -21.752 -10.430 1.00 0.00 C ATOM 353 C LEU A 21 -0.772 -23.136 -10.709 1.00 0.00 C ATOM 354 O LEU A 21 -1.164 -24.092 -10.047 1.00 0.00 O ATOM 355 CB LEU A 21 -2.621 -21.451 -11.256 1.00 0.00 C ATOM 356 CG LEU A 21 -3.767 -22.478 -11.132 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.115 -21.780 -11.320 1.00 0.00 C ATOM 358 CD2 LEU A 21 -3.692 -23.584 -12.193 1.00 0.00 C ATOM 0 H LEU A 21 -0.665 -19.944 -11.229 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.665 -21.771 -9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.001 -20.473 -10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.336 -21.378 -12.306 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.667 -22.922 -10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.919 -22.511 -11.231 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.237 -21.012 -10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.151 -21.319 -12.307 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.523 -24.276 -12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.750 -23.140 -13.187 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.750 -24.123 -12.091 1.00 0.00 H new ATOM 370 N GLU A 22 0.217 -23.259 -11.600 1.00 0.00 N ATOM 371 CA GLU A 22 0.829 -24.573 -11.876 1.00 0.00 C ATOM 372 C GLU A 22 1.546 -25.202 -10.669 1.00 0.00 C ATOM 373 O GLU A 22 1.706 -26.422 -10.607 1.00 0.00 O ATOM 374 CB GLU A 22 1.816 -24.495 -13.044 1.00 0.00 C ATOM 375 CG GLU A 22 1.317 -25.228 -14.298 1.00 0.00 C ATOM 376 CD GLU A 22 1.220 -26.756 -14.093 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.185 -27.236 -13.566 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.166 -27.485 -14.477 1.00 0.00 O ATOM 0 H GLU A 22 0.608 -22.484 -12.136 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.013 -25.217 -12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.999 -23.449 -13.289 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.771 -24.922 -12.736 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.337 -24.839 -14.576 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.990 -25.019 -15.129 1.00 0.00 H new ATOM 385 N TYR A 23 1.942 -24.378 -9.700 1.00 0.00 N ATOM 386 CA TYR A 23 2.721 -24.775 -8.523 1.00 0.00 C ATOM 387 C TYR A 23 1.934 -24.582 -7.212 1.00 0.00 C ATOM 388 O TYR A 23 2.480 -24.761 -6.121 1.00 0.00 O ATOM 389 CB TYR A 23 4.024 -23.969 -8.542 1.00 0.00 C ATOM 390 CG TYR A 23 4.900 -24.211 -9.762 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.751 -25.334 -9.802 1.00 0.00 C ATOM 392 CD2 TYR A 23 4.859 -23.322 -10.856 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.562 -25.567 -10.930 1.00 0.00 C ATOM 394 CE2 TYR A 23 5.666 -23.554 -11.986 1.00 0.00 C ATOM 395 CZ TYR A 23 6.521 -24.677 -12.027 1.00 0.00 C ATOM 396 OH TYR A 23 7.302 -24.894 -13.122 1.00 0.00 O ATOM 0 H TYR A 23 1.723 -23.382 -9.711 1.00 0.00 H new ATOM 0 HA TYR A 23 2.943 -25.841 -8.564 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.780 -22.908 -8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.597 -24.208 -7.646 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.781 -26.017 -8.966 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.207 -22.461 -10.827 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.216 -26.426 -10.956 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.631 -22.872 -12.823 1.00 0.00 H new ATOM 0 HH TYR A 23 7.146 -24.185 -13.781 1.00 0.00 H new ATOM 406 N THR A 24 0.646 -24.232 -7.314 1.00 0.00 N ATOM 407 CA THR A 24 -0.231 -23.874 -6.180 1.00 0.00 C ATOM 408 C THR A 24 -1.653 -24.439 -6.280 1.00 0.00 C ATOM 409 O THR A 24 -2.266 -24.683 -5.243 1.00 0.00 O ATOM 410 CB THR A 24 -0.331 -22.348 -6.029 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.703 -21.775 -7.246 1.00 0.00 O ATOM 412 CG2 THR A 24 0.969 -21.667 -5.601 1.00 0.00 C ATOM 0 H THR A 24 0.166 -24.187 -8.213 1.00 0.00 H new ATOM 0 HA THR A 24 0.242 -24.327 -5.309 1.00 0.00 H new ATOM 0 HB THR A 24 -1.070 -22.192 -5.243 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.084 -21.698 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.807 -20.592 -5.519 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.285 -22.061 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.743 -21.862 -6.343 1.00 0.00 H new ATOM 420 N HIS A 25 -2.169 -24.685 -7.494 1.00 0.00 N ATOM 421 CA HIS A 25 -3.478 -25.281 -7.842 1.00 0.00 C ATOM 422 C HIS A 25 -4.619 -25.030 -6.826 1.00 0.00 C ATOM 423 O HIS A 25 -5.240 -25.967 -6.320 1.00 0.00 O ATOM 424 CB HIS A 25 -3.292 -26.769 -8.225 1.00 0.00 C ATOM 425 CG HIS A 25 -2.881 -26.980 -9.664 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.741 -27.146 -10.737 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.604 -27.059 -10.145 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.998 -27.318 -11.849 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.694 -27.270 -11.513 1.00 0.00 N ATOM 0 H HIS A 25 -1.638 -24.454 -8.334 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.842 -24.742 -8.717 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.539 -27.211 -7.573 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.225 -27.302 -8.041 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.695 -26.973 -9.568 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.385 -27.469 -12.846 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.908 -27.371 -12.155 1.00 0.00 H new ATOM 438 N ASN A 26 -4.896 -23.759 -6.513 1.00 0.00 N ATOM 439 CA ASN A 26 -5.913 -23.344 -5.529 1.00 0.00 C ATOM 440 C ASN A 26 -6.983 -22.399 -6.130 1.00 0.00 C ATOM 441 O ASN A 26 -6.706 -21.697 -7.106 1.00 0.00 O ATOM 442 CB ASN A 26 -5.185 -22.736 -4.308 1.00 0.00 C ATOM 443 CG ASN A 26 -5.104 -23.720 -3.147 1.00 0.00 C ATOM 444 OD1 ASN A 26 -5.907 -23.694 -2.227 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.154 -24.622 -3.146 1.00 0.00 N ATOM 0 H ASN A 26 -4.412 -22.971 -6.943 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.481 -24.217 -5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.179 -22.434 -4.599 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.708 -21.836 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.090 -25.294 -2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.479 -24.652 -3.910 1.00 0.00 H new ATOM 452 N PRO A 27 -8.189 -22.303 -5.527 1.00 0.00 N ATOM 453 CA PRO A 27 -9.261 -21.392 -5.962 1.00 0.00 C ATOM 454 C PRO A 27 -9.002 -19.917 -5.591 1.00 0.00 C ATOM 455 O PRO A 27 -9.868 -19.062 -5.772 1.00 0.00 O ATOM 456 CB PRO A 27 -10.525 -21.932 -5.276 1.00 0.00 C ATOM 457 CG PRO A 27 -9.989 -22.489 -3.961 1.00 0.00 C ATOM 458 CD PRO A 27 -8.641 -23.076 -4.372 1.00 0.00 C ATOM 0 HA PRO A 27 -9.342 -21.376 -7.049 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.262 -21.146 -5.111 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.010 -22.704 -5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.879 -21.710 -3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.651 -23.247 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.923 -23.009 -3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.738 -24.132 -4.625 1.00 0.00 H new ATOM 466 N VAL A 28 -7.821 -19.605 -5.049 1.00 0.00 N ATOM 467 CA VAL A 28 -7.466 -18.300 -4.481 1.00 0.00 C ATOM 468 C VAL A 28 -6.797 -17.413 -5.524 1.00 0.00 C ATOM 469 O VAL A 28 -7.061 -16.216 -5.570 1.00 0.00 O ATOM 470 CB VAL A 28 -6.580 -18.523 -3.246 1.00 0.00 C ATOM 471 CG1 VAL A 28 -6.311 -17.216 -2.524 1.00 0.00 C ATOM 472 CG2 VAL A 28 -7.215 -19.477 -2.219 1.00 0.00 C ATOM 0 H VAL A 28 -7.057 -20.279 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.367 -17.773 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.659 -18.961 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.682 -17.404 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.803 -16.526 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.255 -16.778 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.543 -19.596 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.164 -19.064 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.388 -20.448 -2.683 1.00 0.00 H new ATOM 482 N LEU A 29 -6.032 -17.991 -6.453 1.00 0.00 N ATOM 483 CA LEU A 29 -5.491 -17.277 -7.611 1.00 0.00 C ATOM 484 C LEU A 29 -6.618 -16.714 -8.502 1.00 0.00 C ATOM 485 O LEU A 29 -6.508 -15.598 -9.012 1.00 0.00 O ATOM 486 CB LEU A 29 -4.551 -18.229 -8.368 1.00 0.00 C ATOM 487 CG LEU A 29 -3.410 -18.797 -7.492 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.604 -20.291 -7.244 1.00 0.00 C ATOM 489 CD2 LEU A 29 -2.047 -18.569 -8.141 1.00 0.00 C ATOM 0 H LEU A 29 -5.769 -18.976 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.919 -16.408 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.134 -19.057 -8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.118 -17.700 -9.217 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.442 -18.267 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.788 -20.666 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.552 -20.455 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.610 -20.820 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.266 -18.979 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.019 -19.065 -9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.882 -17.500 -8.275 1.00 0.00 H new ATOM 501 N ALA A 30 -7.747 -17.433 -8.572 1.00 0.00 N ATOM 502 CA ALA A 30 -9.009 -17.006 -9.184 1.00 0.00 C ATOM 503 C ALA A 30 -9.749 -15.867 -8.436 1.00 0.00 C ATOM 504 O ALA A 30 -10.786 -15.401 -8.911 1.00 0.00 O ATOM 505 CB ALA A 30 -9.900 -18.248 -9.337 1.00 0.00 C ATOM 0 H ALA A 30 -7.806 -18.374 -8.184 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.771 -16.564 -10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.849 -17.962 -9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.400 -18.979 -9.973 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.085 -18.686 -8.356 1.00 0.00 H new ATOM 511 N LYS A 31 -9.218 -15.384 -7.303 1.00 0.00 N ATOM 512 CA LYS A 31 -9.588 -14.123 -6.646 1.00 0.00 C ATOM 513 C LYS A 31 -8.477 -13.090 -6.773 1.00 0.00 C ATOM 514 O LYS A 31 -8.752 -11.946 -7.124 1.00 0.00 O ATOM 515 CB LYS A 31 -9.902 -14.328 -5.148 1.00 0.00 C ATOM 516 CG LYS A 31 -10.867 -15.478 -4.822 1.00 0.00 C ATOM 517 CD LYS A 31 -11.169 -15.497 -3.313 1.00 0.00 C ATOM 518 CE LYS A 31 -11.885 -16.776 -2.857 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.229 -16.935 -3.476 1.00 0.00 N ATOM 0 H LYS A 31 -8.487 -15.884 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.484 -13.763 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.965 -14.503 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.322 -13.403 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.792 -15.358 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.429 -16.429 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.235 -15.394 -2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.785 -14.634 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.270 -17.640 -3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.989 -16.762 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.667 -17.814 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.828 -16.126 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.132 -16.977 -4.511 1.00 0.00 H new ATOM 533 N ILE A 32 -7.228 -13.503 -6.543 1.00 0.00 N ATOM 534 CA ILE A 32 -6.085 -12.586 -6.475 1.00 0.00 C ATOM 535 C ILE A 32 -5.891 -11.866 -7.806 1.00 0.00 C ATOM 536 O ILE A 32 -6.110 -10.659 -7.886 1.00 0.00 O ATOM 537 CB ILE A 32 -4.781 -13.289 -6.030 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.835 -13.968 -4.645 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.658 -12.243 -5.975 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.834 -15.131 -4.566 1.00 0.00 C ATOM 0 H ILE A 32 -6.980 -14.482 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.317 -11.847 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.614 -14.079 -6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.611 -13.237 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.843 -14.337 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.730 -12.722 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.524 -11.801 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.922 -11.463 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.891 -15.594 -3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.075 -15.871 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.825 -14.754 -4.732 1.00 0.00 H new ATOM 552 N LEU A 33 -5.533 -12.596 -8.868 1.00 0.00 N ATOM 553 CA LEU A 33 -5.301 -11.981 -10.176 1.00 0.00 C ATOM 554 C LEU A 33 -6.615 -11.514 -10.812 1.00 0.00 C ATOM 555 O LEU A 33 -6.600 -10.620 -11.652 1.00 0.00 O ATOM 556 CB LEU A 33 -4.460 -12.919 -11.059 1.00 0.00 C ATOM 557 CG LEU A 33 -5.248 -13.850 -12.002 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.265 -13.335 -13.441 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.712 -15.282 -12.032 1.00 0.00 C ATOM 0 H LEU A 33 -5.399 -13.607 -8.847 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.712 -11.071 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.786 -12.310 -11.662 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.838 -13.535 -10.410 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.256 -13.855 -11.588 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.832 -14.024 -14.067 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.732 -12.351 -13.470 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.243 -13.263 -13.814 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.313 -15.881 -12.716 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.676 -15.276 -12.370 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.764 -15.711 -11.031 1.00 0.00 H new ATOM 571 N GLU A 34 -7.753 -12.084 -10.389 1.00 0.00 N ATOM 572 CA GLU A 34 -9.063 -11.607 -10.823 1.00 0.00 C ATOM 573 C GLU A 34 -9.306 -10.162 -10.357 1.00 0.00 C ATOM 574 O GLU A 34 -9.837 -9.354 -11.121 1.00 0.00 O ATOM 575 CB GLU A 34 -10.176 -12.569 -10.383 1.00 0.00 C ATOM 576 CG GLU A 34 -11.515 -12.213 -11.042 1.00 0.00 C ATOM 577 CD GLU A 34 -12.604 -13.272 -10.770 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.734 -14.232 -11.570 1.00 0.00 O ATOM 579 OE2 GLU A 34 -13.381 -13.113 -9.797 1.00 0.00 O ATOM 0 H GLU A 34 -7.787 -12.876 -9.747 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.081 -11.591 -11.913 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.900 -13.591 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.282 -12.534 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.853 -11.245 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.372 -12.111 -12.118 1.00 0.00 H new ATOM 586 N ASP A 35 -8.847 -9.789 -9.156 1.00 0.00 N ATOM 587 CA ASP A 35 -8.814 -8.392 -8.733 1.00 0.00 C ATOM 588 C ASP A 35 -7.770 -7.560 -9.468 1.00 0.00 C ATOM 589 O ASP A 35 -8.115 -6.503 -9.997 1.00 0.00 O ATOM 590 CB ASP A 35 -8.564 -8.311 -7.229 1.00 0.00 C ATOM 591 CG ASP A 35 -9.650 -8.934 -6.342 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.848 -8.925 -6.729 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.279 -9.380 -5.228 1.00 0.00 O ATOM 0 H ASP A 35 -8.492 -10.444 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.787 -7.970 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.615 -8.801 -7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.452 -7.262 -6.953 1.00 0.00 H new ATOM 598 N GLU A 36 -6.522 -8.028 -9.576 1.00 0.00 N ATOM 599 CA GLU A 36 -5.488 -7.289 -10.311 1.00 0.00 C ATOM 600 C GLU A 36 -5.882 -6.980 -11.773 1.00 0.00 C ATOM 601 O GLU A 36 -5.414 -5.993 -12.343 1.00 0.00 O ATOM 602 CB GLU A 36 -4.157 -8.049 -10.283 1.00 0.00 C ATOM 603 CG GLU A 36 -3.634 -8.524 -8.920 1.00 0.00 C ATOM 604 CD GLU A 36 -3.292 -7.444 -7.894 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.786 -6.292 -7.935 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.516 -7.713 -6.942 1.00 0.00 O ATOM 0 H GLU A 36 -6.204 -8.907 -9.168 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.379 -6.333 -9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.256 -8.923 -10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.396 -7.409 -10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.383 -9.184 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.741 -9.125 -9.090 1.00 0.00 H new ATOM 613 N GLU A 37 -6.781 -7.773 -12.371 1.00 0.00 N ATOM 614 CA GLU A 37 -7.248 -7.581 -13.756 1.00 0.00 C ATOM 615 C GLU A 37 -8.113 -6.315 -13.887 1.00 0.00 C ATOM 616 O GLU A 37 -8.059 -5.608 -14.897 1.00 0.00 O ATOM 617 CB GLU A 37 -8.031 -8.827 -14.210 1.00 0.00 C ATOM 618 CG GLU A 37 -8.328 -8.833 -15.716 1.00 0.00 C ATOM 619 CD GLU A 37 -9.101 -10.102 -16.128 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.461 -11.135 -16.443 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.356 -10.070 -16.162 1.00 0.00 O ATOM 0 H GLU A 37 -7.210 -8.573 -11.906 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.380 -7.447 -14.401 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.461 -9.720 -13.954 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.970 -8.879 -13.660 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.909 -7.949 -15.978 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.393 -8.777 -16.274 1.00 0.00 H new ATOM 628 N LYS A 38 -8.881 -6.010 -12.835 1.00 0.00 N ATOM 629 CA LYS A 38 -9.714 -4.808 -12.695 1.00 0.00 C ATOM 630 C LYS A 38 -8.893 -3.623 -12.218 1.00 0.00 C ATOM 631 O LYS A 38 -9.046 -2.539 -12.770 1.00 0.00 O ATOM 632 CB LYS A 38 -10.863 -5.091 -11.708 1.00 0.00 C ATOM 633 CG LYS A 38 -11.749 -6.268 -12.156 1.00 0.00 C ATOM 634 CD LYS A 38 -12.809 -6.694 -11.129 1.00 0.00 C ATOM 635 CE LYS A 38 -12.133 -7.245 -9.866 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.068 -7.977 -8.974 1.00 0.00 N ATOM 0 H LYS A 38 -8.942 -6.621 -12.021 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.126 -4.556 -13.672 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.447 -5.307 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.477 -4.197 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.250 -5.996 -13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.111 -7.123 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.439 -5.842 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.461 -7.453 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.322 -7.912 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.684 -6.420 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.546 -8.353 -8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.810 -7.329 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.504 -8.763 -9.498 1.00 0.00 H new ATOM 650 N HIS A 39 -7.992 -3.825 -11.253 1.00 0.00 N ATOM 651 CA HIS A 39 -7.206 -2.798 -10.584 1.00 0.00 C ATOM 652 C HIS A 39 -6.528 -1.806 -11.534 1.00 0.00 C ATOM 653 O HIS A 39 -6.679 -0.600 -11.364 1.00 0.00 O ATOM 654 CB HIS A 39 -6.167 -3.521 -9.741 1.00 0.00 C ATOM 655 CG HIS A 39 -6.626 -4.021 -8.404 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.755 -4.217 -7.331 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.901 -4.324 -8.024 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.550 -4.604 -6.311 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.831 -4.684 -6.701 1.00 0.00 N ATOM 0 H HIS A 39 -7.784 -4.760 -10.903 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.878 -2.187 -9.982 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.793 -4.370 -10.313 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.325 -2.847 -9.583 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.787 -4.288 -8.640 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.201 -4.821 -5.312 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.618 -4.964 -6.115 1.00 0.00 H new ATOM 667 N ILE A 40 -5.815 -2.299 -12.547 1.00 0.00 N ATOM 668 CA ILE A 40 -5.030 -1.462 -13.465 1.00 0.00 C ATOM 669 C ILE A 40 -5.911 -0.464 -14.237 1.00 0.00 C ATOM 670 O ILE A 40 -5.495 0.675 -14.444 1.00 0.00 O ATOM 671 CB ILE A 40 -4.206 -2.376 -14.407 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.228 -3.280 -13.614 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.381 -1.585 -15.436 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.891 -4.582 -14.350 1.00 0.00 C ATOM 0 H ILE A 40 -5.763 -3.296 -12.758 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.341 -0.850 -12.884 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.945 -2.982 -14.931 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.308 -2.729 -13.420 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.666 -3.519 -12.645 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.825 -2.278 -16.067 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.049 -0.986 -16.055 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.683 -0.929 -14.916 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.203 -5.174 -13.746 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.805 -5.151 -14.520 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.425 -4.349 -15.307 1.00 0.00 H new ATOM 686 N GLU A 41 -7.145 -0.839 -14.590 1.00 0.00 N ATOM 687 CA GLU A 41 -8.145 0.097 -15.127 1.00 0.00 C ATOM 688 C GLU A 41 -8.897 0.864 -14.033 1.00 0.00 C ATOM 689 O GLU A 41 -9.178 2.049 -14.206 1.00 0.00 O ATOM 690 CB GLU A 41 -9.130 -0.633 -16.054 1.00 0.00 C ATOM 691 CG GLU A 41 -8.545 -0.775 -17.466 1.00 0.00 C ATOM 692 CD GLU A 41 -9.511 -1.513 -18.412 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.578 -0.953 -18.762 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.200 -2.654 -18.836 1.00 0.00 O ATOM 0 H GLU A 41 -7.481 -1.799 -14.513 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.596 0.840 -15.705 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.356 -1.619 -15.648 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.070 -0.083 -16.098 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.325 0.213 -17.870 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.600 -1.317 -17.416 1.00 0.00 H new ATOM 701 N TRP A 42 -9.175 0.247 -12.886 1.00 0.00 N ATOM 702 CA TRP A 42 -9.761 0.901 -11.706 1.00 0.00 C ATOM 703 C TRP A 42 -8.977 2.128 -11.189 1.00 0.00 C ATOM 704 O TRP A 42 -9.597 3.058 -10.678 1.00 0.00 O ATOM 705 CB TRP A 42 -9.948 -0.167 -10.618 1.00 0.00 C ATOM 706 CG TRP A 42 -11.201 -0.981 -10.653 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.161 -0.943 -11.606 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.642 -1.974 -9.677 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.180 -1.809 -11.266 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.915 -2.474 -10.086 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.090 -2.506 -8.492 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.610 -3.444 -9.346 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.771 -3.491 -7.750 1.00 0.00 C ATOM 714 CH2 TRP A 42 -13.031 -3.955 -8.172 1.00 0.00 C ATOM 0 H TRP A 42 -8.996 -0.747 -12.743 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.721 1.325 -12.001 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.101 -0.852 -10.671 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.897 0.329 -9.649 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.134 -0.330 -12.495 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.026 -1.942 -11.820 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.129 -2.152 -8.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.578 -3.793 -9.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.324 -3.892 -6.853 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.553 -4.703 -7.594 1.00 0.00 H new ATOM 725 N LEU A 43 -7.651 2.191 -11.385 1.00 0.00 N ATOM 726 CA LEU A 43 -6.804 3.371 -11.102 1.00 0.00 C ATOM 727 C LEU A 43 -6.381 4.181 -12.345 1.00 0.00 C ATOM 728 O LEU A 43 -5.469 5.001 -12.268 1.00 0.00 O ATOM 729 CB LEU A 43 -5.661 2.987 -10.151 1.00 0.00 C ATOM 730 CG LEU A 43 -4.669 1.979 -10.750 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.320 2.638 -11.005 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.427 0.812 -9.793 1.00 0.00 C ATOM 0 H LEU A 43 -7.119 1.403 -11.755 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.424 4.097 -10.577 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.120 3.889 -9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.085 2.567 -9.239 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.106 1.621 -11.682 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.632 1.907 -11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.446 3.466 -11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.915 3.014 -10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.721 0.114 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.018 1.189 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.369 0.300 -9.598 1.00 0.00 H new ATOM 744 N GLU A 44 -7.089 4.029 -13.467 1.00 0.00 N ATOM 745 CA GLU A 44 -6.961 4.859 -14.672 1.00 0.00 C ATOM 746 C GLU A 44 -8.297 5.491 -15.084 1.00 0.00 C ATOM 747 O GLU A 44 -8.338 6.633 -15.545 1.00 0.00 O ATOM 748 CB GLU A 44 -6.450 3.972 -15.816 1.00 0.00 C ATOM 749 CG GLU A 44 -5.114 4.482 -16.378 1.00 0.00 C ATOM 750 CD GLU A 44 -4.671 3.776 -17.679 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.168 2.674 -18.013 1.00 0.00 O ATOM 752 OE2 GLU A 44 -3.811 4.346 -18.397 1.00 0.00 O ATOM 0 H GLU A 44 -7.794 3.298 -13.567 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.267 5.671 -14.457 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.327 2.950 -15.457 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.193 3.943 -16.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.196 5.552 -16.567 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.339 4.350 -15.623 1.00 0.00 H new ATOM 759 N THR A 45 -9.400 4.772 -14.865 1.00 0.00 N ATOM 760 CA THR A 45 -10.775 5.222 -15.104 1.00 0.00 C ATOM 761 C THR A 45 -11.070 6.551 -14.400 1.00 0.00 C ATOM 762 O THR A 45 -11.645 7.461 -15.000 1.00 0.00 O ATOM 763 CB THR A 45 -11.782 4.145 -14.679 1.00 0.00 C ATOM 764 OG1 THR A 45 -11.568 2.952 -15.404 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.235 4.546 -14.928 1.00 0.00 C ATOM 0 H THR A 45 -9.359 3.820 -14.501 1.00 0.00 H new ATOM 0 HA THR A 45 -10.881 5.391 -16.176 1.00 0.00 H new ATOM 0 HB THR A 45 -11.621 4.011 -13.609 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.756 2.511 -15.076 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.895 3.741 -14.606 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.464 5.451 -14.365 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.384 4.733 -15.991 1.00 0.00 H new ATOM 773 N ILE A 46 -10.609 6.692 -13.149 1.00 0.00 N ATOM 774 CA ILE A 46 -10.726 7.929 -12.346 1.00 0.00 C ATOM 775 C ILE A 46 -10.035 9.128 -13.017 1.00 0.00 C ATOM 776 O ILE A 46 -10.515 10.262 -12.948 1.00 0.00 O ATOM 777 CB ILE A 46 -10.131 7.743 -10.923 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.379 6.365 -10.278 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.622 8.853 -9.977 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.852 5.953 -10.144 1.00 0.00 C ATOM 0 H ILE A 46 -10.134 5.938 -12.653 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.794 8.135 -12.272 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.053 7.809 -11.069 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.861 5.609 -10.868 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.927 6.361 -9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.193 8.703 -8.986 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.312 9.824 -10.363 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.709 8.820 -9.910 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.914 4.969 -9.679 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.378 6.680 -9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.311 5.916 -11.132 1.00 0.00 H new ATOM 792 N LEU A 47 -8.892 8.871 -13.658 1.00 0.00 N ATOM 793 CA LEU A 47 -7.964 9.880 -14.161 1.00 0.00 C ATOM 794 C LEU A 47 -8.399 10.496 -15.504 1.00 0.00 C ATOM 795 O LEU A 47 -8.007 11.618 -15.833 1.00 0.00 O ATOM 796 CB LEU A 47 -6.559 9.261 -14.305 1.00 0.00 C ATOM 797 CG LEU A 47 -6.065 8.416 -13.114 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.630 7.973 -13.391 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.132 9.163 -11.781 1.00 0.00 C ATOM 0 H LEU A 47 -8.578 7.919 -13.846 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.956 10.692 -13.433 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.550 8.635 -15.197 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.845 10.067 -14.474 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.728 7.556 -13.019 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.267 7.374 -12.556 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.603 7.378 -14.304 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.995 8.851 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.771 8.515 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.510 10.056 -11.833 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.163 9.451 -11.577 1.00 0.00 H new ATOM 811 N GLY A 48 -9.196 9.753 -16.278 1.00 0.00 N ATOM 812 CA GLY A 48 -9.685 10.139 -17.606 1.00 0.00 C ATOM 813 C GLY A 48 -10.137 8.959 -18.481 1.00 0.00 C ATOM 814 O GLY A 48 -10.827 9.156 -19.481 1.00 0.00 O ATOM 0 H GLY A 48 -9.530 8.834 -15.987 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.521 10.828 -17.486 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.896 10.682 -18.127 1.00 0.00 H new HETATM 818 N NH2 A 49 -9.785 7.724 -18.135 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.582 -19.326 -6.384 1.00 0.00 C HETATM 823 O ACE B 0 9.730 -18.721 -5.744 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.429 -20.803 -6.653 1.00 0.00 C HETATM 0 H1 ACE B 0 10.400 -20.976 -7.729 1.00 0.00 H new HETATM 0 H2 ACE B 0 11.273 -21.341 -6.222 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.503 -21.161 -6.203 1.00 0.00 H new ATOM 828 N ASP B 1 11.666 -18.736 -6.885 1.00 0.00 N ATOM 829 CA ASP B 1 12.031 -17.323 -6.660 1.00 0.00 C ATOM 830 C ASP B 1 10.948 -16.313 -7.084 1.00 0.00 C ATOM 831 O ASP B 1 10.811 -15.239 -6.495 1.00 0.00 O ATOM 832 CB ASP B 1 13.339 -17.044 -7.407 1.00 0.00 C ATOM 833 CG ASP B 1 13.965 -15.696 -7.008 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.387 -15.551 -5.835 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.074 -14.797 -7.876 1.00 0.00 O ATOM 0 H ASP B 1 12.336 -19.232 -7.473 1.00 0.00 H new ATOM 0 HA ASP B 1 12.144 -17.183 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP B 1 14.049 -17.846 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.150 -17.050 -8.480 1.00 0.00 H new ATOM 840 N TYR B 2 10.135 -16.690 -8.073 1.00 0.00 N ATOM 841 CA TYR B 2 8.968 -15.934 -8.542 1.00 0.00 C ATOM 842 C TYR B 2 7.964 -15.585 -7.428 1.00 0.00 C ATOM 843 O TYR B 2 7.341 -14.527 -7.465 1.00 0.00 O ATOM 844 CB TYR B 2 8.271 -16.715 -9.665 1.00 0.00 C ATOM 845 CG TYR B 2 7.460 -17.917 -9.221 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.074 -19.175 -9.064 1.00 0.00 C ATOM 847 CD2 TYR B 2 6.089 -17.759 -8.931 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.330 -20.262 -8.568 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.343 -18.843 -8.438 1.00 0.00 C ATOM 850 CZ TYR B 2 5.970 -20.091 -8.234 1.00 0.00 C ATOM 851 OH TYR B 2 5.282 -21.116 -7.672 1.00 0.00 O ATOM 0 H TYR B 2 10.274 -17.559 -8.588 1.00 0.00 H new ATOM 0 HA TYR B 2 9.340 -14.980 -8.915 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.612 -16.033 -10.203 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.028 -17.051 -10.373 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.114 -19.305 -9.324 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.612 -16.803 -9.088 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.800 -21.226 -8.443 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.293 -18.722 -8.216 1.00 0.00 H new ATOM 0 HH TYR B 2 4.358 -20.836 -7.502 1.00 0.00 H new ATOM 861 N LEU B 3 7.829 -16.449 -6.418 1.00 0.00 N ATOM 862 CA LEU B 3 6.999 -16.225 -5.222 1.00 0.00 C ATOM 863 C LEU B 3 7.502 -15.029 -4.404 1.00 0.00 C ATOM 864 O LEU B 3 6.741 -14.107 -4.109 1.00 0.00 O ATOM 865 CB LEU B 3 7.011 -17.480 -4.331 1.00 0.00 C ATOM 866 CG LEU B 3 6.370 -18.719 -4.972 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.739 -19.959 -4.162 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.847 -18.581 -5.039 1.00 0.00 C ATOM 0 H LEU B 3 8.306 -17.350 -6.406 1.00 0.00 H new ATOM 0 HA LEU B 3 5.985 -16.013 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.043 -17.714 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.488 -17.256 -3.401 1.00 0.00 H new ATOM 0 HG LEU B 3 6.748 -18.814 -5.990 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.284 -20.839 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.823 -20.076 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.374 -19.848 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.421 -19.473 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.448 -18.465 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.587 -17.707 -5.636 1.00 0.00 H new ATOM 880 N ARG B 4 8.799 -15.016 -4.071 1.00 0.00 N ATOM 881 CA ARG B 4 9.460 -13.906 -3.366 1.00 0.00 C ATOM 882 C ARG B 4 9.373 -12.610 -4.170 1.00 0.00 C ATOM 883 O ARG B 4 9.067 -11.561 -3.607 1.00 0.00 O ATOM 884 CB ARG B 4 10.910 -14.317 -3.051 1.00 0.00 C ATOM 885 CG ARG B 4 11.718 -13.228 -2.329 1.00 0.00 C ATOM 886 CD ARG B 4 13.073 -13.798 -1.895 1.00 0.00 C ATOM 887 NE ARG B 4 13.959 -12.753 -1.342 1.00 0.00 N ATOM 888 CZ ARG B 4 15.142 -12.946 -0.784 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.645 -14.138 -0.617 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.856 -11.934 -0.381 1.00 0.00 N ATOM 0 H ARG B 4 9.430 -15.788 -4.286 1.00 0.00 H new ATOM 0 HA ARG B 4 8.948 -13.703 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.898 -15.216 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.415 -14.575 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.866 -12.373 -2.989 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.168 -12.868 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG B 4 12.917 -14.575 -1.147 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.558 -14.271 -2.749 1.00 0.00 H new ATOM 0 HE ARG B 4 13.626 -11.790 -1.396 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.122 -14.959 -0.921 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.561 -14.249 -0.182 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.504 -10.984 -0.495 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.768 -12.092 0.048 1.00 0.00 H new ATOM 904 N GLU B 5 9.558 -12.698 -5.486 1.00 0.00 N ATOM 905 CA GLU B 5 9.371 -11.583 -6.423 1.00 0.00 C ATOM 906 C GLU B 5 7.931 -11.015 -6.375 1.00 0.00 C ATOM 907 O GLU B 5 7.738 -9.799 -6.426 1.00 0.00 O ATOM 908 CB GLU B 5 9.742 -12.073 -7.833 1.00 0.00 C ATOM 909 CG GLU B 5 9.916 -10.971 -8.881 1.00 0.00 C ATOM 910 CD GLU B 5 11.308 -10.311 -8.814 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.577 -9.536 -7.865 1.00 0.00 O ATOM 912 OE2 GLU B 5 12.141 -10.548 -9.725 1.00 0.00 O ATOM 0 H GLU B 5 9.848 -13.562 -5.944 1.00 0.00 H new ATOM 0 HA GLU B 5 10.022 -10.758 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.669 -12.642 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.969 -12.760 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.764 -11.391 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.149 -10.210 -8.735 1.00 0.00 H new ATOM 919 N LEU B 6 6.926 -11.886 -6.218 1.00 0.00 N ATOM 920 CA LEU B 6 5.508 -11.537 -6.063 1.00 0.00 C ATOM 921 C LEU B 6 5.214 -10.777 -4.758 1.00 0.00 C ATOM 922 O LEU B 6 4.628 -9.693 -4.792 1.00 0.00 O ATOM 923 CB LEU B 6 4.661 -12.830 -6.159 1.00 0.00 C ATOM 924 CG LEU B 6 3.622 -12.779 -7.283 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.273 -12.742 -8.668 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.734 -14.022 -7.245 1.00 0.00 C ATOM 0 H LEU B 6 7.085 -12.893 -6.195 1.00 0.00 H new ATOM 0 HA LEU B 6 5.239 -10.853 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.323 -13.681 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.153 -12.997 -5.209 1.00 0.00 H new ATOM 0 HG LEU B 6 3.044 -11.869 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.498 -12.706 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.905 -11.857 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.881 -13.636 -8.808 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.001 -13.970 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.349 -14.913 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.217 -14.071 -6.287 1.00 0.00 H new ATOM 938 N LEU B 7 5.634 -11.324 -3.610 1.00 0.00 N ATOM 939 CA LEU B 7 5.480 -10.682 -2.298 1.00 0.00 C ATOM 940 C LEU B 7 6.199 -9.322 -2.208 1.00 0.00 C ATOM 941 O LEU B 7 5.633 -8.360 -1.681 1.00 0.00 O ATOM 942 CB LEU B 7 5.969 -11.602 -1.157 1.00 0.00 C ATOM 943 CG LEU B 7 4.927 -12.631 -0.664 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.176 -14.022 -1.241 1.00 0.00 C ATOM 945 CD2 LEU B 7 4.968 -12.760 0.858 1.00 0.00 C ATOM 0 H LEU B 7 6.095 -12.233 -3.565 1.00 0.00 H new ATOM 0 HA LEU B 7 4.411 -10.501 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.856 -12.138 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.274 -10.982 -0.314 1.00 0.00 H new ATOM 0 HG LEU B 7 3.958 -12.261 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.419 -14.712 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.122 -13.980 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.164 -14.369 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.226 -13.490 1.181 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.960 -13.089 1.169 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.748 -11.793 1.311 1.00 0.00 H new ATOM 957 N LYS B 8 7.432 -9.226 -2.723 1.00 0.00 N ATOM 958 CA LYS B 8 8.280 -8.016 -2.733 1.00 0.00 C ATOM 959 C LYS B 8 7.821 -6.965 -3.762 1.00 0.00 C ATOM 960 O LYS B 8 8.582 -6.564 -4.648 1.00 0.00 O ATOM 961 CB LYS B 8 9.758 -8.423 -2.919 1.00 0.00 C ATOM 962 CG LYS B 8 10.388 -9.195 -1.742 1.00 0.00 C ATOM 963 CD LYS B 8 10.750 -8.316 -0.528 1.00 0.00 C ATOM 964 CE LYS B 8 9.637 -8.152 0.520 1.00 0.00 C ATOM 965 NZ LYS B 8 9.487 -9.361 1.375 1.00 0.00 N ATOM 0 H LYS B 8 7.890 -10.023 -3.165 1.00 0.00 H new ATOM 0 HA LYS B 8 8.175 -7.521 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.837 -9.036 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.345 -7.522 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.695 -9.972 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS B 8 11.289 -9.698 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.626 -8.743 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.036 -7.328 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS B 8 9.857 -7.289 1.149 1.00 0.00 H new ATOM 0 HE3 LYS B 8 8.693 -7.946 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 8.726 -9.205 2.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 9.251 -10.180 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 10.379 -9.544 1.878 1.00 0.00 H new ATOM 979 N GLY B 9 6.575 -6.500 -3.642 1.00 0.00 N ATOM 980 CA GLY B 9 6.072 -5.380 -4.437 1.00 0.00 C ATOM 981 C GLY B 9 4.632 -4.937 -4.214 1.00 0.00 C ATOM 982 O GLY B 9 4.316 -3.756 -4.349 1.00 0.00 O ATOM 0 H GLY B 9 5.890 -6.888 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.718 -4.522 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.182 -5.641 -5.490 1.00 0.00 H new ATOM 986 N GLU B 10 3.760 -5.852 -3.809 1.00 0.00 N ATOM 987 CA GLU B 10 2.356 -5.560 -3.475 1.00 0.00 C ATOM 988 C GLU B 10 2.224 -4.486 -2.373 1.00 0.00 C ATOM 989 O GLU B 10 1.360 -3.612 -2.441 1.00 0.00 O ATOM 990 CB GLU B 10 1.712 -6.878 -3.015 1.00 0.00 C ATOM 991 CG GLU B 10 1.560 -7.947 -4.109 1.00 0.00 C ATOM 992 CD GLU B 10 0.196 -7.847 -4.783 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.195 -6.930 -5.524 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.793 -8.560 -4.531 1.00 0.00 O ATOM 0 H GLU B 10 4.004 -6.836 -3.699 1.00 0.00 H new ATOM 0 HA GLU B 10 1.853 -5.157 -4.354 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.311 -7.293 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.727 -6.659 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.347 -7.826 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.683 -8.939 -3.673 1.00 0.00 H new ATOM 1001 N LEU B 11 3.136 -4.497 -1.396 1.00 0.00 N ATOM 1002 CA LEU B 11 3.220 -3.577 -0.263 1.00 0.00 C ATOM 1003 C LEU B 11 3.601 -2.152 -0.709 1.00 0.00 C ATOM 1004 O LEU B 11 3.092 -1.159 -0.186 1.00 0.00 O ATOM 1005 CB LEU B 11 4.205 -4.266 0.715 1.00 0.00 C ATOM 1006 CG LEU B 11 5.103 -3.360 1.559 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.332 -2.599 2.639 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.187 -4.194 2.245 1.00 0.00 C ATOM 0 H LEU B 11 3.881 -5.193 -1.376 1.00 0.00 H new ATOM 0 HA LEU B 11 2.267 -3.405 0.237 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.625 -4.892 1.393 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.846 -4.931 0.136 1.00 0.00 H new ATOM 0 HG LEU B 11 5.538 -2.632 0.874 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.021 -1.973 3.205 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.573 -1.972 2.171 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.851 -3.309 3.311 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.823 -3.542 2.844 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.720 -4.938 2.890 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.792 -4.696 1.490 1.00 0.00 H new ATOM 1020 N GLN B 12 4.436 -2.057 -1.741 1.00 0.00 N ATOM 1021 CA GLN B 12 4.810 -0.822 -2.423 1.00 0.00 C ATOM 1022 C GLN B 12 3.638 -0.187 -3.197 1.00 0.00 C ATOM 1023 O GLN B 12 3.653 1.020 -3.439 1.00 0.00 O ATOM 1024 CB GLN B 12 6.038 -1.088 -3.319 1.00 0.00 C ATOM 1025 CG GLN B 12 7.331 -0.596 -2.651 1.00 0.00 C ATOM 1026 CD GLN B 12 8.579 -1.142 -3.347 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.897 -2.323 -3.274 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.341 -0.320 -4.041 1.00 0.00 N ATOM 0 H GLN B 12 4.891 -2.877 -2.142 1.00 0.00 H new ATOM 0 HA GLN B 12 5.080 -0.081 -1.671 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.116 -2.155 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.907 -0.586 -4.278 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.355 0.494 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.337 -0.901 -1.604 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.093 0.667 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN B 12 10.179 -0.671 -4.505 1.00 0.00 H new ATOM 1037 N GLY B 13 2.587 -0.959 -3.511 1.00 0.00 N ATOM 1038 CA GLY B 13 1.301 -0.428 -3.970 1.00 0.00 C ATOM 1039 C GLY B 13 0.440 0.046 -2.796 1.00 0.00 C ATOM 1040 O GLY B 13 0.004 1.200 -2.784 1.00 0.00 O ATOM 0 H GLY B 13 2.609 -1.977 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.472 0.402 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.767 -1.197 -4.528 1.00 0.00 H new ATOM 1044 N ILE B 14 0.275 -0.797 -1.764 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.577 -0.526 -0.584 1.00 0.00 C ATOM 1046 C ILE B 14 -0.303 0.854 0.032 1.00 0.00 C ATOM 1047 O ILE B 14 -1.241 1.586 0.359 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.420 -1.647 0.478 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -1.031 -2.965 -0.042 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.079 -1.293 1.827 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.705 -4.207 0.800 1.00 0.00 C ATOM 0 H ILE B 14 0.737 -1.705 -1.721 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.610 -0.518 -0.932 1.00 0.00 H new ATOM 0 HB ILE B 14 0.651 -1.760 0.648 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.114 -2.852 -0.091 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.682 -3.133 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.936 -2.115 2.529 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.622 -0.389 2.229 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.146 -1.125 1.678 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.178 -5.082 0.355 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.375 -4.354 0.829 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.080 -4.068 1.814 1.00 0.00 H new ATOM 1063 N LYS B 15 0.974 1.236 0.172 1.00 0.00 N ATOM 1064 CA LYS B 15 1.383 2.415 0.923 1.00 0.00 C ATOM 1065 C LYS B 15 1.393 3.701 0.088 1.00 0.00 C ATOM 1066 O LYS B 15 1.397 4.799 0.643 1.00 0.00 O ATOM 1067 CB LYS B 15 2.726 2.070 1.573 1.00 0.00 C ATOM 1068 CG LYS B 15 3.159 3.099 2.619 1.00 0.00 C ATOM 1069 CD LYS B 15 4.217 2.495 3.545 1.00 0.00 C ATOM 1070 CE LYS B 15 3.575 1.663 4.667 1.00 0.00 C ATOM 1071 NZ LYS B 15 4.570 1.263 5.696 1.00 0.00 N ATOM 0 H LYS B 15 1.755 0.725 -0.240 1.00 0.00 H new ATOM 0 HA LYS B 15 0.651 2.653 1.695 1.00 0.00 H new ATOM 0 HB2 LYS B 15 2.656 1.089 2.042 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.491 2.000 0.800 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.560 3.984 2.125 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.296 3.422 3.202 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.893 1.866 2.966 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.819 3.293 3.981 1.00 0.00 H new ATOM 0 HE2 LYS B 15 2.778 2.240 5.137 1.00 0.00 H new ATOM 0 HE3 LYS B 15 3.115 0.772 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 4.099 0.704 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 5.317 0.691 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 4.991 2.114 6.121 1.00 0.00 H new ATOM 1085 N GLN B 16 1.316 3.572 -1.236 1.00 0.00 N ATOM 1086 CA GLN B 16 1.140 4.671 -2.176 1.00 0.00 C ATOM 1087 C GLN B 16 -0.341 4.971 -2.419 1.00 0.00 C ATOM 1088 O GLN B 16 -0.733 6.136 -2.500 1.00 0.00 O ATOM 1089 CB GLN B 16 1.834 4.281 -3.486 1.00 0.00 C ATOM 1090 CG GLN B 16 3.368 4.398 -3.449 1.00 0.00 C ATOM 1091 CD GLN B 16 3.886 5.837 -3.551 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.242 6.811 -3.181 1.00 0.00 O ATOM 1093 NE2 GLN B 16 5.077 6.038 -4.074 1.00 0.00 N ATOM 0 H GLN B 16 1.377 2.664 -1.697 1.00 0.00 H new ATOM 0 HA GLN B 16 1.580 5.579 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.565 3.254 -3.734 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.452 4.913 -4.288 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.734 3.956 -2.522 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.787 3.813 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN B 16 5.635 5.245 -4.391 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.442 6.986 -4.163 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.186 3.939 -2.452 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.631 4.076 -2.614 1.00 0.00 C ATOM 1104 C TYR B 17 -3.282 4.962 -1.554 1.00 0.00 C ATOM 1105 O TYR B 17 -4.137 5.789 -1.878 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.273 2.683 -2.590 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.035 1.811 -3.815 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -2.981 2.370 -5.110 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.910 0.416 -3.659 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -2.839 1.542 -6.235 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.759 -0.415 -4.785 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.756 0.147 -6.078 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.757 -0.658 -7.169 1.00 0.00 O ATOM 0 H TYR B 17 -0.879 2.970 -2.365 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.800 4.568 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.903 2.151 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.348 2.804 -2.459 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.049 3.440 -5.236 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.930 -0.018 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -2.793 1.977 -7.222 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.646 -1.482 -4.659 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.645 -1.590 -6.888 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.859 4.849 -0.291 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.418 5.655 0.786 1.00 0.00 C ATOM 1125 C ARG B 18 -3.076 7.150 0.677 1.00 0.00 C ATOM 1126 O ARG B 18 -3.838 7.984 1.161 1.00 0.00 O ATOM 1127 CB ARG B 18 -3.014 5.041 2.131 1.00 0.00 C ATOM 1128 CG ARG B 18 -1.503 4.915 2.380 1.00 0.00 C ATOM 1129 CD ARG B 18 -1.195 4.412 3.801 1.00 0.00 C ATOM 1130 NE ARG B 18 -0.787 5.507 4.707 1.00 0.00 N ATOM 1131 CZ ARG B 18 -1.536 6.217 5.535 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.823 6.045 5.647 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -0.990 7.134 6.282 1.00 0.00 N ATOM 0 H ARG B 18 -2.128 4.203 0.006 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.505 5.632 0.702 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.446 5.645 2.929 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -3.460 4.049 2.205 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.071 4.230 1.651 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -1.028 5.884 2.227 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.076 3.916 4.208 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -0.402 3.666 3.756 1.00 0.00 H new ATOM 0 HE ARG B 18 0.204 5.747 4.692 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.294 5.338 5.082 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.359 6.617 6.300 1.00 0.00 H new ATOM 0 HH21 ARG B 18 0.014 7.304 6.228 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -1.567 7.682 6.921 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.976 7.497 0.001 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.621 8.884 -0.337 1.00 0.00 C ATOM 1149 C GLU B 19 -2.351 9.373 -1.601 1.00 0.00 C ATOM 1150 O GLU B 19 -2.790 10.517 -1.674 1.00 0.00 O ATOM 1151 CB GLU B 19 -0.102 8.987 -0.558 1.00 0.00 C ATOM 1152 CG GLU B 19 0.404 10.408 -0.278 1.00 0.00 C ATOM 1153 CD GLU B 19 1.868 10.587 -0.722 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.786 10.067 -0.039 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.115 11.274 -1.744 1.00 0.00 O ATOM 0 H GLU B 19 -1.296 6.814 -0.333 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.929 9.516 0.496 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.412 8.280 0.094 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.139 8.708 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -0.226 11.128 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.318 10.622 0.787 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.529 8.497 -2.593 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.244 8.791 -3.836 1.00 0.00 C ATOM 1164 C ALA B 20 -4.706 9.197 -3.589 1.00 0.00 C ATOM 1165 O ALA B 20 -5.215 10.097 -4.257 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.122 7.590 -4.784 1.00 0.00 C ATOM 0 H ALA B 20 -2.172 7.542 -2.553 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.782 9.658 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.653 7.803 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.070 7.404 -5.002 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.556 6.708 -4.312 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.353 8.614 -2.572 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.690 9.017 -2.134 1.00 0.00 C ATOM 1174 C LEU B 21 -6.760 10.475 -1.666 1.00 0.00 C ATOM 1175 O LEU B 21 -7.797 11.106 -1.843 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.175 8.068 -1.027 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.611 8.319 -0.534 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.622 7.956 -1.610 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.934 7.462 0.682 1.00 0.00 C ATOM 0 H LEU B 21 -4.959 7.846 -2.029 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.348 8.948 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.107 7.043 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.497 8.149 -0.178 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.672 9.378 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.630 8.141 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.444 8.564 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.518 6.902 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.955 7.662 1.007 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.836 6.408 0.421 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.243 7.702 1.490 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.692 11.054 -1.110 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.734 12.464 -0.701 1.00 0.00 C ATOM 1193 C GLU B 22 -5.914 13.416 -1.900 1.00 0.00 C ATOM 1194 O GLU B 22 -6.556 14.461 -1.782 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.468 12.824 0.078 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.528 12.326 1.528 1.00 0.00 C ATOM 1197 CD GLU B 22 -3.286 12.771 2.327 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -3.262 13.925 2.822 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -2.335 11.967 2.480 1.00 0.00 O ATOM 0 H GLU B 22 -4.805 10.582 -0.935 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.605 12.590 -0.057 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.600 12.391 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.332 13.906 0.071 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.428 12.709 2.009 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.599 11.238 1.538 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.387 13.019 -3.060 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.501 13.738 -4.337 1.00 0.00 C ATOM 1208 C TYR B 23 -6.816 13.493 -5.114 1.00 0.00 C ATOM 1209 O TYR B 23 -7.128 14.271 -6.019 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.280 13.396 -5.213 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.089 14.313 -4.992 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.416 14.331 -3.753 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.666 15.170 -6.028 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.338 15.213 -3.544 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.582 16.046 -5.827 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.918 16.076 -4.582 1.00 0.00 C ATOM 1217 OH TYR B 23 0.118 16.938 -4.391 1.00 0.00 O ATOM 0 H TYR B 23 -4.849 12.157 -3.142 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.525 14.799 -4.090 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.977 12.368 -5.012 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.573 13.443 -6.262 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.728 13.666 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -3.176 15.155 -6.980 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.832 15.230 -2.590 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -1.258 16.696 -6.627 1.00 0.00 H new ATOM 0 HH TYR B 23 0.270 17.453 -5.211 1.00 0.00 H new ATOM 1227 N THR B 24 -7.602 12.459 -4.785 1.00 0.00 N ATOM 1228 CA THR B 24 -8.772 12.020 -5.593 1.00 0.00 C ATOM 1229 C THR B 24 -10.073 11.866 -4.802 1.00 0.00 C ATOM 1230 O THR B 24 -11.162 11.952 -5.371 1.00 0.00 O ATOM 1231 CB THR B 24 -8.487 10.671 -6.273 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.354 9.674 -5.285 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.217 10.661 -7.126 1.00 0.00 C ATOM 0 H THR B 24 -7.452 11.894 -3.949 1.00 0.00 H new ATOM 0 HA THR B 24 -8.915 12.822 -6.318 1.00 0.00 H new ATOM 0 HB THR B 24 -9.329 10.484 -6.940 1.00 0.00 H new ATOM 0 HG1 THR B 24 -7.715 8.995 -5.589 1.00 0.00 H new ATOM 0 HG21 THR B 24 -7.086 9.675 -7.572 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.303 11.407 -7.916 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.356 10.894 -6.499 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.966 11.619 -3.493 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.004 11.171 -2.556 1.00 0.00 C ATOM 1243 C HIS B 25 -11.962 10.057 -3.077 1.00 0.00 C ATOM 1244 O HIS B 25 -13.088 9.922 -2.592 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.693 12.389 -1.911 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.848 12.965 -0.799 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.903 12.591 0.534 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.827 13.865 -0.934 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.938 13.259 1.198 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.274 14.045 0.323 1.00 0.00 N ATOM 0 H HIS B 25 -9.071 11.738 -3.018 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.495 10.625 -1.762 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.873 13.152 -2.668 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.666 12.095 -1.518 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.511 14.345 -1.849 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.730 13.179 2.255 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.497 14.666 0.550 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.542 9.258 -4.069 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.351 8.210 -4.723 1.00 0.00 C ATOM 1261 C ASN B 26 -12.813 7.059 -3.784 1.00 0.00 C ATOM 1262 O ASN B 26 -12.041 6.634 -2.924 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.571 7.653 -5.947 1.00 0.00 C ATOM 1264 CG ASN B 26 -10.149 7.183 -5.737 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -9.824 6.644 -4.596 1.00 0.00 O flip ATOM 1266 ND2 ASN B 26 -9.302 7.282 -6.608 1.00 0.00 N flip ATOM 0 H ASN B 26 -10.599 9.323 -4.453 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.277 8.688 -5.042 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -12.141 6.817 -6.352 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.555 8.429 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -9.541 7.702 -7.506 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -8.354 6.945 -6.438 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.986 6.430 -4.009 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.373 5.182 -3.331 1.00 0.00 C ATOM 1275 C PRO B 27 -13.693 3.925 -3.912 1.00 0.00 C ATOM 1276 O PRO B 27 -13.847 2.826 -3.381 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.894 5.113 -3.501 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.122 5.774 -4.860 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.051 6.867 -4.905 1.00 0.00 C ATOM 0 HA PRO B 27 -14.055 5.195 -2.288 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.255 4.085 -3.488 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.413 5.643 -2.703 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.005 5.063 -5.678 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.126 6.191 -4.941 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.675 7.002 -5.919 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.460 7.826 -4.586 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.943 4.063 -5.011 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.384 2.941 -5.786 1.00 0.00 C ATOM 1289 C VAL B 28 -11.009 2.507 -5.301 1.00 0.00 C ATOM 1290 O VAL B 28 -10.766 1.302 -5.227 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.402 3.301 -7.277 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.760 2.227 -8.140 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.838 3.511 -7.783 1.00 0.00 C ATOM 0 H VAL B 28 -12.701 4.975 -5.398 1.00 0.00 H new ATOM 0 HA VAL B 28 -13.015 2.066 -5.629 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.828 4.224 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.798 2.530 -9.186 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.721 2.091 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.300 1.288 -8.014 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.817 3.765 -8.843 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.412 2.595 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.305 4.322 -7.225 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.142 3.421 -4.847 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.946 2.987 -4.139 1.00 0.00 C ATOM 1305 C LEU B 29 -9.273 2.227 -2.858 1.00 0.00 C ATOM 1306 O LEU B 29 -8.508 1.334 -2.507 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.018 4.134 -3.774 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.185 4.704 -4.934 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -6.489 6.001 -4.521 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.086 3.741 -5.381 1.00 0.00 C ATOM 0 H LEU B 29 -10.245 4.430 -4.955 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.441 2.328 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.615 4.940 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.338 3.794 -2.993 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.889 4.874 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -5.906 6.384 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -7.237 6.739 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -5.827 5.806 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.524 4.186 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -5.414 3.543 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -6.535 2.806 -5.714 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.390 2.540 -2.188 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.808 1.792 -1.008 1.00 0.00 C ATOM 1324 C ALA B 30 -10.900 0.291 -1.325 1.00 0.00 C ATOM 1325 O ALA B 30 -10.319 -0.501 -0.593 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.116 2.364 -0.452 1.00 0.00 C ATOM 0 H ALA B 30 -11.014 3.304 -2.446 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.057 1.900 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.416 1.796 0.429 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.969 3.408 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.895 2.295 -1.211 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.508 -0.104 -2.456 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.513 -1.496 -2.937 1.00 0.00 C ATOM 1334 C LYS B 31 -10.144 -1.989 -3.415 1.00 0.00 C ATOM 1335 O LYS B 31 -9.760 -3.100 -3.066 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.570 -1.691 -4.038 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.993 -1.504 -3.486 1.00 0.00 C ATOM 1338 CD LYS B 31 -15.075 -2.010 -4.459 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.105 -2.910 -3.756 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.945 -2.164 -2.781 1.00 0.00 N ATOM 0 H LYS B 31 -12.013 0.538 -3.067 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.772 -2.108 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.394 -0.979 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.472 -2.688 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.084 -2.035 -2.538 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.162 -0.448 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -15.585 -1.158 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.603 -2.564 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.748 -3.373 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -15.585 -3.717 -3.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.622 -2.816 -2.336 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.337 -1.743 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.464 -1.411 -3.275 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.390 -1.166 -4.151 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.038 -1.524 -4.651 1.00 0.00 C ATOM 1356 C ILE B 32 -7.130 -1.909 -3.483 1.00 0.00 C ATOM 1357 O ILE B 32 -6.720 -3.066 -3.387 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.420 -0.412 -5.528 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.198 -0.214 -6.850 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.959 -0.752 -5.873 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.894 1.131 -7.524 1.00 0.00 C ATOM 0 H ILE B 32 -9.691 -0.230 -4.423 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.140 -2.391 -5.303 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.472 0.509 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -7.950 -1.023 -7.537 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.267 -0.282 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.537 0.041 -6.491 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.380 -0.843 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.924 -1.695 -6.418 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.468 1.214 -8.447 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.168 1.945 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.830 1.191 -7.752 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.847 -0.970 -2.576 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.956 -1.227 -1.449 1.00 0.00 C ATOM 1375 C LEU B 33 -6.567 -2.171 -0.412 1.00 0.00 C ATOM 1376 O LEU B 33 -5.818 -2.850 0.289 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.403 0.090 -0.880 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.345 0.919 0.010 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.293 0.503 1.482 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.973 2.401 -0.055 1.00 0.00 C ATOM 0 H LEU B 33 -7.225 -0.023 -2.603 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.091 -1.780 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.508 -0.140 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.091 0.715 -1.716 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.349 0.740 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.978 1.123 2.060 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.584 -0.543 1.575 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.279 0.632 1.861 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.649 2.974 0.580 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.948 2.534 0.292 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.056 2.752 -1.083 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.900 -2.276 -0.348 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.535 -3.332 0.454 1.00 0.00 C ATOM 1394 C GLU B 34 -8.201 -4.731 -0.078 1.00 0.00 C ATOM 1395 O GLU B 34 -7.907 -5.619 0.720 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.056 -3.153 0.600 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.741 -4.262 1.410 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.220 -3.916 1.669 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -13.090 -4.277 0.838 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.530 -3.296 2.716 1.00 0.00 O ATOM 0 H GLU B 34 -8.550 -1.656 -0.831 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.110 -3.235 1.453 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.254 -2.193 1.078 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.504 -3.113 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.673 -5.207 0.871 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.223 -4.398 2.359 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.194 -4.950 -1.399 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.900 -6.275 -1.937 1.00 0.00 C ATOM 1409 C ASP B 35 -6.437 -6.663 -1.725 1.00 0.00 C ATOM 1410 O ASP B 35 -6.154 -7.767 -1.255 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.221 -6.347 -3.429 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.680 -6.080 -3.834 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.612 -6.437 -3.073 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.877 -5.577 -4.969 1.00 0.00 O ATOM 0 H ASP B 35 -8.386 -4.236 -2.102 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.532 -6.977 -1.394 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.587 -5.629 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.943 -7.337 -3.790 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.502 -5.737 -1.976 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.085 -5.962 -1.688 1.00 0.00 C ATOM 1421 C GLU B 36 -3.808 -6.334 -0.220 1.00 0.00 C ATOM 1422 O GLU B 36 -2.822 -7.013 0.069 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.277 -4.710 -2.030 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.446 -4.152 -3.444 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.211 -5.154 -4.569 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.553 -6.207 -4.400 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.652 -4.919 -5.717 1.00 0.00 O ATOM 0 H GLU B 36 -5.706 -4.823 -2.379 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.784 -6.809 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.545 -3.927 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.221 -4.933 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.455 -3.751 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.757 -3.317 -3.573 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.686 -5.929 0.703 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.552 -6.220 2.137 1.00 0.00 C ATOM 1436 C GLU B 37 -4.757 -7.719 2.428 1.00 0.00 C ATOM 1437 O GLU B 37 -4.154 -8.252 3.362 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.531 -5.335 2.932 1.00 0.00 C ATOM 1439 CG GLU B 37 -5.097 -5.019 4.373 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.353 -6.151 5.391 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.466 -6.731 5.408 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -4.466 -6.408 6.241 1.00 0.00 O ATOM 0 H GLU B 37 -5.518 -5.385 0.475 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.537 -5.983 2.457 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.667 -4.396 2.395 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.502 -5.829 2.961 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.033 -4.784 4.373 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -5.622 -4.124 4.707 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.530 -8.418 1.580 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.604 -9.886 1.565 1.00 0.00 C ATOM 1451 C LYS B 38 -4.516 -10.504 0.707 1.00 0.00 C ATOM 1452 O LYS B 38 -3.899 -11.462 1.153 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.950 -10.419 1.044 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.171 -10.035 1.882 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.851 -8.757 1.381 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.921 -9.025 0.315 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.239 -9.341 0.929 1.00 0.00 N ATOM 0 H LYS B 38 -6.125 -7.975 0.880 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.479 -10.172 2.609 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.098 -10.055 0.027 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.895 -11.506 0.988 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.890 -10.854 1.867 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.866 -9.897 2.919 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.308 -8.241 2.225 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -8.096 -8.088 0.969 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -10.019 -8.152 -0.330 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.605 -9.855 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.938 -9.516 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.150 -10.189 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.551 -8.539 1.513 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.282 -9.992 -0.508 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.527 -10.644 -1.571 1.00 0.00 C ATOM 1473 C HIS B 39 -2.188 -11.255 -1.140 1.00 0.00 C ATOM 1474 O HIS B 39 -1.907 -12.400 -1.489 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.294 -9.597 -2.652 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.424 -9.289 -3.593 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.250 -8.539 -4.755 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.729 -9.675 -3.495 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.464 -8.480 -5.328 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.366 -9.168 -4.605 1.00 0.00 N ATOM 0 H HIS B 39 -4.631 -9.074 -0.783 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.114 -11.494 -1.918 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -3.007 -8.668 -2.160 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.441 -9.918 -3.249 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.384 -8.123 -5.098 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.173 -10.261 -2.704 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.685 -7.952 -6.244 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.351 -9.292 -4.839 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.383 -10.524 -0.363 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.064 -10.998 0.091 1.00 0.00 C ATOM 1490 C ILE B 40 -0.204 -12.241 0.980 1.00 0.00 C ATOM 1491 O ILE B 40 0.503 -13.229 0.782 1.00 0.00 O ATOM 1492 CB ILE B 40 0.713 -9.867 0.813 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.909 -8.657 -0.127 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.088 -10.362 1.300 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.519 -7.419 0.548 1.00 0.00 C ATOM 0 H ILE B 40 -1.622 -9.590 -0.030 1.00 0.00 H new ATOM 0 HA ILE B 40 0.514 -11.285 -0.787 1.00 0.00 H new ATOM 0 HB ILE B 40 0.122 -9.562 1.677 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.551 -8.957 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.056 -8.384 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.611 -9.548 1.802 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.951 -11.190 1.996 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.677 -10.699 0.447 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.621 -6.618 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.869 -7.089 1.358 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.501 -7.670 0.950 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.150 -12.235 1.921 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.433 -13.403 2.761 1.00 0.00 C ATOM 1509 C GLU B 41 -2.221 -14.489 2.017 1.00 0.00 C ATOM 1510 O GLU B 41 -1.970 -15.668 2.237 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.126 -12.986 4.067 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.171 -12.180 4.965 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.779 -11.927 6.358 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -1.751 -12.845 7.215 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.269 -10.801 6.621 1.00 0.00 O ATOM 0 H GLU B 41 -1.739 -11.427 2.122 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.473 -13.851 3.019 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.009 -12.388 3.840 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.470 -13.873 4.599 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.229 -12.718 5.071 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.941 -11.227 4.489 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.101 -14.133 1.081 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.773 -15.055 0.161 1.00 0.00 C ATOM 1524 C TRP B 42 -2.805 -15.914 -0.662 1.00 0.00 C ATOM 1525 O TRP B 42 -3.004 -17.128 -0.733 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.726 -14.241 -0.733 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.110 -14.022 -0.216 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.577 -14.397 0.995 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.223 -13.363 -0.893 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.921 -14.076 1.088 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.369 -13.424 -0.046 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.365 -12.688 -2.125 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.600 -12.860 -0.417 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.586 -12.094 -2.497 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.706 -12.191 -1.651 1.00 0.00 C ATOM 0 H TRP B 42 -3.376 -13.161 0.936 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.340 -15.775 0.751 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.273 -13.266 -0.914 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.799 -14.743 -1.698 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.994 -14.873 1.769 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.508 -14.294 1.893 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.520 -12.626 -2.795 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.456 -12.939 0.237 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.663 -11.563 -3.434 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.647 -11.752 -1.948 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.741 -15.335 -1.235 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.751 -16.122 -1.984 1.00 0.00 C ATOM 1548 C LEU B 43 0.302 -16.798 -1.085 1.00 0.00 C ATOM 1549 O LEU B 43 0.773 -17.885 -1.420 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.183 -15.315 -3.158 1.00 0.00 C ATOM 1551 CG LEU B 43 0.733 -14.160 -2.749 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.205 -14.543 -2.863 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.508 -12.953 -3.651 1.00 0.00 C ATOM 0 H LEU B 43 -1.544 -14.335 -1.195 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.269 -16.971 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.372 -15.989 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -1.012 -14.915 -3.743 1.00 0.00 H new ATOM 0 HG LEU B 43 0.491 -13.923 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU B 43 2.825 -13.698 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.411 -15.392 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.432 -14.813 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.168 -12.142 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.723 -13.226 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.529 -12.627 -3.570 1.00 0.00 H new ATOM 1565 N GLU B 44 0.625 -16.229 0.083 1.00 0.00 N ATOM 1566 CA GLU B 44 1.511 -16.876 1.063 1.00 0.00 C ATOM 1567 C GLU B 44 0.843 -18.062 1.791 1.00 0.00 C ATOM 1568 O GLU B 44 1.521 -19.046 2.085 1.00 0.00 O ATOM 1569 CB GLU B 44 2.039 -15.838 2.070 1.00 0.00 C ATOM 1570 CG GLU B 44 3.242 -16.368 2.869 1.00 0.00 C ATOM 1571 CD GLU B 44 3.842 -15.335 3.849 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.111 -14.453 4.364 1.00 0.00 O ATOM 1573 OE2 GLU B 44 5.058 -15.429 4.149 1.00 0.00 O ATOM 0 H GLU B 44 0.283 -15.314 0.376 1.00 0.00 H new ATOM 0 HA GLU B 44 2.349 -17.295 0.506 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.328 -14.932 1.538 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.240 -15.562 2.758 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.934 -17.251 3.429 1.00 0.00 H new ATOM 0 HG3 GLU B 44 4.017 -16.687 2.172 1.00 0.00 H new ATOM 1580 N THR B 45 -0.477 -18.028 2.036 1.00 0.00 N ATOM 1581 CA THR B 45 -1.218 -19.108 2.730 1.00 0.00 C ATOM 1582 C THR B 45 -1.039 -20.471 2.051 1.00 0.00 C ATOM 1583 O THR B 45 -0.950 -21.497 2.729 1.00 0.00 O ATOM 1584 CB THR B 45 -2.716 -18.751 2.859 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.865 -17.683 3.768 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.600 -19.873 3.406 1.00 0.00 C ATOM 0 H THR B 45 -1.070 -17.246 1.758 1.00 0.00 H new ATOM 0 HA THR B 45 -0.792 -19.193 3.730 1.00 0.00 H new ATOM 0 HB THR B 45 -3.033 -18.521 1.842 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.569 -16.850 3.345 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.633 -19.529 3.460 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.540 -20.738 2.746 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.258 -20.153 4.402 1.00 0.00 H new ATOM 1594 N ILE B 46 -0.920 -20.495 0.719 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.735 -21.730 -0.060 1.00 0.00 C ATOM 1596 C ILE B 46 0.625 -22.405 0.221 1.00 0.00 C ATOM 1597 O ILE B 46 0.741 -23.630 0.151 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.896 -21.457 -1.576 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.043 -20.485 -1.950 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.086 -22.796 -2.309 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.430 -20.859 -1.413 1.00 0.00 C ATOM 0 H ILE B 46 -0.949 -19.653 0.144 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.514 -22.422 0.260 1.00 0.00 H new ATOM 0 HB ILE B 46 0.018 -20.953 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -1.787 -19.491 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.099 -20.419 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.200 -22.613 -3.377 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.215 -23.430 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.977 -23.295 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.157 -20.113 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -3.719 -21.836 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.401 -20.894 -0.324 1.00 0.00 H new ATOM 1613 N LEU B 47 1.650 -21.622 0.575 1.00 0.00 N ATOM 1614 CA LEU B 47 3.039 -22.074 0.754 1.00 0.00 C ATOM 1615 C LEU B 47 3.296 -22.827 2.077 1.00 0.00 C ATOM 1616 O LEU B 47 4.387 -23.365 2.274 1.00 0.00 O ATOM 1617 CB LEU B 47 3.985 -20.863 0.612 1.00 0.00 C ATOM 1618 CG LEU B 47 3.854 -20.091 -0.716 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.814 -18.902 -0.721 1.00 0.00 C ATOM 1620 CD2 LEU B 47 4.157 -20.980 -1.925 1.00 0.00 C ATOM 0 H LEU B 47 1.535 -20.624 0.751 1.00 0.00 H new ATOM 0 HA LEU B 47 3.239 -22.808 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.797 -20.175 1.436 1.00 0.00 H new ATOM 0 HB3 LEU B 47 5.013 -21.209 0.714 1.00 0.00 H new ATOM 0 HG LEU B 47 2.822 -19.747 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.717 -18.360 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.573 -18.236 0.108 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.838 -19.260 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU B 47 4.053 -20.397 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU B 47 5.176 -21.361 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU B 47 3.458 -21.816 -1.946 1.00 0.00 H new ATOM 1632 N GLY B 48 2.301 -22.894 2.970 1.00 0.00 N ATOM 1633 CA GLY B 48 2.368 -23.601 4.259 1.00 0.00 C ATOM 1634 C GLY B 48 1.053 -24.267 4.690 1.00 0.00 C ATOM 1635 O GLY B 48 0.895 -24.640 5.853 1.00 0.00 O ATOM 0 H GLY B 48 1.399 -22.445 2.813 1.00 0.00 H new ATOM 0 HA2 GLY B 48 3.145 -24.364 4.201 1.00 0.00 H new ATOM 0 HA3 GLY B 48 2.673 -22.894 5.031 1.00 0.00 H new HETATM 1639 N NH2 B 49 0.086 -24.424 3.792 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.792 -4.606 -7.448 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.901 -7.483 -5.355 1.00 0.00 ZN