USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=12 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 Single : A 2 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) 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) 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 -77:sc= 1 USER MOD Single : A 25 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.29) USER MOD Single : A 26 ASN : amide:sc=-0.00229 X(o=-0.0023,f=0.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : +bothHN:sc= 0.228 K(o=0.23,f=-7.7!) USER MOD Single : A 45 THR OG1 : rot 81:sc= 0.108 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 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= -0.139 X(o=-0.14,f=-0.032) USER MOD Single : B 17 TYR OH : rot 180:sc= -0.0281 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -79:sc= 0.143 USER MOD Single : B 25 HIS : no HD1:sc= 0.324 K(o=0.32,f=-1.1) USER MOD Single : B 26 ASN : amide:sc= -2.33 K(o=-2.3,f=-6.2!) 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= 0.219 K(o=0.22,f=-5.1!) USER MOD Single : B 45 THR OG1 : rot 71:sc= 0.0441 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.340 13.029 -11.815 1.00 0.00 C HETATM 2 O ACE A 0 2.783 13.226 -12.945 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.276 13.940 -11.247 1.00 0.00 C HETATM 0 H1 ACE A 0 0.384 13.358 -11.016 1.00 0.00 H new HETATM 0 H2 ACE A 0 1.648 14.411 -10.337 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.028 14.709 -11.978 1.00 0.00 H new ATOM 7 N ASP A 1 2.744 12.032 -11.031 1.00 0.00 N ATOM 8 CA ASP A 1 3.772 11.039 -11.410 1.00 0.00 C ATOM 9 C ASP A 1 3.543 9.656 -10.767 1.00 0.00 C ATOM 10 O ASP A 1 3.816 8.613 -11.366 1.00 0.00 O ATOM 11 CB ASP A 1 5.163 11.598 -11.031 1.00 0.00 C ATOM 12 CG ASP A 1 6.273 11.301 -12.059 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.233 10.257 -12.754 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.216 12.123 -12.168 1.00 0.00 O ATOM 0 H ASP A 1 2.365 11.880 -10.096 1.00 0.00 H new ATOM 0 HA ASP A 1 3.707 10.879 -12.486 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.084 12.677 -10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.457 11.183 -10.067 1.00 0.00 H new ATOM 19 N TYR A 2 2.968 9.641 -9.560 1.00 0.00 N ATOM 20 CA TYR A 2 2.677 8.430 -8.785 1.00 0.00 C ATOM 21 C TYR A 2 1.760 7.426 -9.499 1.00 0.00 C ATOM 22 O TYR A 2 1.933 6.222 -9.333 1.00 0.00 O ATOM 23 CB TYR A 2 2.072 8.813 -7.427 1.00 0.00 C ATOM 24 CG TYR A 2 0.611 9.226 -7.456 1.00 0.00 C ATOM 25 CD1 TYR A 2 -0.388 8.242 -7.323 1.00 0.00 C ATOM 26 CD2 TYR A 2 0.250 10.571 -7.675 1.00 0.00 C ATOM 27 CE1 TYR A 2 -1.741 8.591 -7.463 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.108 10.923 -7.807 1.00 0.00 C ATOM 29 CZ TYR A 2 -2.106 9.929 -7.715 1.00 0.00 C ATOM 30 OH TYR A 2 -3.411 10.236 -7.934 1.00 0.00 O ATOM 0 H TYR A 2 2.684 10.496 -9.081 1.00 0.00 H new ATOM 0 HA TYR A 2 3.633 7.922 -8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.179 7.966 -6.749 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.655 9.633 -7.007 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.113 7.219 -7.113 1.00 0.00 H new ATOM 0 HD2 TYR A 2 1.014 11.331 -7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -2.504 7.832 -7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.385 11.953 -7.978 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.499 11.199 -8.091 1.00 0.00 H new ATOM 40 N LEU A 3 0.794 7.903 -10.297 1.00 0.00 N ATOM 41 CA LEU A 3 -0.139 7.033 -11.042 1.00 0.00 C ATOM 42 C LEU A 3 0.650 6.171 -12.028 1.00 0.00 C ATOM 43 O LEU A 3 0.571 4.946 -11.979 1.00 0.00 O ATOM 44 CB LEU A 3 -1.257 7.811 -11.778 1.00 0.00 C ATOM 45 CG LEU A 3 -2.423 8.267 -10.878 1.00 0.00 C ATOM 46 CD1 LEU A 3 -3.339 9.258 -11.604 1.00 0.00 C ATOM 47 CD2 LEU A 3 -3.360 7.149 -10.357 1.00 0.00 C ATOM 0 H LEU A 3 0.634 8.899 -10.447 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.645 6.405 -10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.818 8.688 -12.253 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.655 7.182 -12.574 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.897 8.704 -10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.150 9.558 -10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.765 10.137 -11.896 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.755 8.785 -12.493 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.141 7.589 -9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.816 6.633 -11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.784 6.437 -9.766 1.00 0.00 H new ATOM 59 N ARG A 4 1.480 6.796 -12.870 1.00 0.00 N ATOM 60 CA ARG A 4 2.363 6.047 -13.791 1.00 0.00 C ATOM 61 C ARG A 4 3.275 5.073 -13.046 1.00 0.00 C ATOM 62 O ARG A 4 3.376 3.918 -13.454 1.00 0.00 O ATOM 63 CB ARG A 4 3.171 6.971 -14.719 1.00 0.00 C ATOM 64 CG ARG A 4 3.897 6.130 -15.792 1.00 0.00 C ATOM 65 CD ARG A 4 4.460 6.967 -16.945 1.00 0.00 C ATOM 66 NE ARG A 4 5.709 7.668 -16.588 1.00 0.00 N ATOM 67 CZ ARG A 4 6.363 8.519 -17.360 1.00 0.00 C ATOM 68 NH1 ARG A 4 5.906 8.888 -18.525 1.00 0.00 N ATOM 69 NH2 ARG A 4 7.505 9.017 -16.980 1.00 0.00 N ATOM 0 H ARG A 4 1.564 7.810 -12.938 1.00 0.00 H new ATOM 0 HA ARG A 4 1.703 5.457 -14.428 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.508 7.692 -15.196 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.896 7.541 -14.138 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.712 5.579 -15.321 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.204 5.391 -16.194 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.645 6.319 -17.802 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.714 7.699 -17.254 1.00 0.00 H new ATOM 0 HE ARG A 4 6.102 7.479 -15.666 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.019 8.518 -18.865 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.436 9.547 -19.096 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.903 8.751 -16.079 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.001 9.673 -17.583 1.00 0.00 H new ATOM 83 N GLU A 5 3.879 5.503 -11.937 1.00 0.00 N ATOM 84 CA GLU A 5 4.690 4.620 -11.078 1.00 0.00 C ATOM 85 C GLU A 5 3.902 3.383 -10.567 1.00 0.00 C ATOM 86 O GLU A 5 4.459 2.289 -10.460 1.00 0.00 O ATOM 87 CB GLU A 5 5.248 5.463 -9.923 1.00 0.00 C ATOM 88 CG GLU A 5 6.368 4.795 -9.119 1.00 0.00 C ATOM 89 CD GLU A 5 7.722 4.836 -9.857 1.00 0.00 C ATOM 90 OE1 GLU A 5 8.467 5.836 -9.708 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.059 3.867 -10.580 1.00 0.00 O ATOM 0 H GLU A 5 3.824 6.466 -11.605 1.00 0.00 H new ATOM 0 HA GLU A 5 5.508 4.205 -11.667 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.622 6.404 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.431 5.710 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.467 5.293 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.098 3.759 -8.916 1.00 0.00 H new ATOM 98 N LEU A 6 2.597 3.537 -10.308 1.00 0.00 N ATOM 99 CA LEU A 6 1.660 2.480 -9.902 1.00 0.00 C ATOM 100 C LEU A 6 1.298 1.512 -11.037 1.00 0.00 C ATOM 101 O LEU A 6 1.480 0.298 -10.903 1.00 0.00 O ATOM 102 CB LEU A 6 0.373 3.146 -9.355 1.00 0.00 C ATOM 103 CG LEU A 6 0.065 2.758 -7.912 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.118 3.304 -6.955 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.283 3.339 -7.491 1.00 0.00 C ATOM 0 H LEU A 6 2.143 4.448 -10.379 1.00 0.00 H new ATOM 0 HA LEU A 6 2.155 1.882 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.476 4.229 -9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.470 2.868 -9.988 1.00 0.00 H new ATOM 0 HG LEU A 6 0.054 1.669 -7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.870 3.010 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.095 2.901 -7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.143 4.392 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.495 3.057 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.252 4.426 -7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.066 2.950 -8.142 1.00 0.00 H new ATOM 117 N LEU A 7 0.771 2.040 -12.149 1.00 0.00 N ATOM 118 CA LEU A 7 0.332 1.242 -13.294 1.00 0.00 C ATOM 119 C LEU A 7 1.494 0.458 -13.917 1.00 0.00 C ATOM 120 O LEU A 7 1.331 -0.720 -14.248 1.00 0.00 O ATOM 121 CB LEU A 7 -0.352 2.112 -14.366 1.00 0.00 C ATOM 122 CG LEU A 7 -1.810 2.505 -14.044 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.916 3.894 -13.430 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.664 2.537 -15.307 1.00 0.00 C ATOM 0 H LEU A 7 0.637 3.043 -12.277 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.399 0.528 -12.914 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.233 3.021 -14.504 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.336 1.575 -15.315 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.160 1.750 -13.340 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.962 4.121 -13.223 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.347 3.926 -12.501 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.516 4.631 -14.126 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.685 2.817 -15.049 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.254 3.266 -16.005 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.664 1.551 -15.771 1.00 0.00 H new ATOM 136 N LYS A 8 2.681 1.078 -14.019 1.00 0.00 N ATOM 137 CA LYS A 8 3.940 0.454 -14.457 1.00 0.00 C ATOM 138 C LYS A 8 4.555 -0.468 -13.383 1.00 0.00 C ATOM 139 O LYS A 8 5.723 -0.359 -13.002 1.00 0.00 O ATOM 140 CB LYS A 8 4.890 1.559 -14.947 1.00 0.00 C ATOM 141 CG LYS A 8 6.147 0.990 -15.636 1.00 0.00 C ATOM 142 CD LYS A 8 7.438 1.534 -14.999 1.00 0.00 C ATOM 143 CE LYS A 8 8.526 0.456 -14.978 1.00 0.00 C ATOM 144 NZ LYS A 8 9.403 0.600 -13.786 1.00 0.00 N ATOM 0 H LYS A 8 2.794 2.065 -13.790 1.00 0.00 H new ATOM 0 HA LYS A 8 3.741 -0.220 -15.291 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.359 2.208 -15.644 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.191 2.177 -14.101 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.138 -0.098 -15.569 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.128 1.244 -16.696 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.789 2.401 -15.559 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.234 1.872 -13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.064 -0.531 -14.975 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.127 0.524 -15.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.130 -0.143 -13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.861 1.533 -13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.831 0.511 -12.922 1.00 0.00 H new ATOM 158 N GLY A 9 3.746 -1.405 -12.908 1.00 0.00 N ATOM 159 CA GLY A 9 4.210 -2.566 -12.154 1.00 0.00 C ATOM 160 C GLY A 9 3.178 -3.577 -11.691 1.00 0.00 C ATOM 161 O GLY A 9 3.494 -4.762 -11.599 1.00 0.00 O ATOM 0 H GLY A 9 2.734 -1.382 -13.036 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.940 -3.093 -12.769 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.738 -2.202 -11.273 1.00 0.00 H new ATOM 165 N GLU A 10 1.935 -3.162 -11.471 1.00 0.00 N ATOM 166 CA GLU A 10 0.852 -4.127 -11.204 1.00 0.00 C ATOM 167 C GLU A 10 0.679 -5.141 -12.341 1.00 0.00 C ATOM 168 O GLU A 10 0.393 -6.313 -12.080 1.00 0.00 O ATOM 169 CB GLU A 10 -0.468 -3.386 -10.975 1.00 0.00 C ATOM 170 CG GLU A 10 -0.594 -2.751 -9.586 1.00 0.00 C ATOM 171 CD GLU A 10 -1.672 -3.461 -8.780 1.00 0.00 C ATOM 172 OE1 GLU A 10 -2.896 -3.214 -8.765 1.00 0.00 O ATOM 173 OE2 GLU A 10 -1.489 -4.452 -8.056 1.00 0.00 O ATOM 0 H GLU A 10 1.646 -2.184 -11.470 1.00 0.00 H new ATOM 0 HA GLU A 10 1.131 -4.680 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.571 -2.607 -11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.294 -4.082 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.360 -2.811 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.839 -1.693 -9.682 1.00 0.00 H new ATOM 180 N LEU A 11 0.904 -4.736 -13.601 1.00 0.00 N ATOM 181 CA LEU A 11 0.727 -5.627 -14.744 1.00 0.00 C ATOM 182 C LEU A 11 1.705 -6.819 -14.731 1.00 0.00 C ATOM 183 O LEU A 11 1.382 -7.917 -15.189 1.00 0.00 O ATOM 184 CB LEU A 11 0.723 -4.753 -16.009 1.00 0.00 C ATOM 185 CG LEU A 11 2.080 -4.657 -16.709 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.279 -5.789 -17.723 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.225 -3.312 -17.413 1.00 0.00 C ATOM 0 H LEU A 11 1.209 -3.794 -13.848 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.232 -6.144 -14.704 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.008 -5.153 -16.711 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.392 -3.749 -15.742 1.00 0.00 H new ATOM 0 HG LEU A 11 2.846 -4.750 -15.939 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.254 -5.685 -18.198 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.226 -6.750 -17.211 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.498 -5.739 -18.482 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.196 -3.262 -17.905 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.435 -3.203 -18.156 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.147 -2.508 -16.681 1.00 0.00 H new ATOM 199 N GLN A 12 2.873 -6.608 -14.120 1.00 0.00 N ATOM 200 CA GLN A 12 3.939 -7.579 -13.928 1.00 0.00 C ATOM 201 C GLN A 12 3.496 -8.735 -13.013 1.00 0.00 C ATOM 202 O GLN A 12 4.001 -9.849 -13.137 1.00 0.00 O ATOM 203 CB GLN A 12 5.162 -6.846 -13.343 1.00 0.00 C ATOM 204 CG GLN A 12 6.482 -7.521 -13.726 1.00 0.00 C ATOM 205 CD GLN A 12 7.665 -6.966 -12.934 1.00 0.00 C ATOM 206 OE1 GLN A 12 8.040 -5.805 -13.046 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.302 -7.769 -12.107 1.00 0.00 N ATOM 0 H GLN A 12 3.108 -5.698 -13.724 1.00 0.00 H new ATOM 0 HA GLN A 12 4.198 -8.026 -14.888 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.168 -5.815 -13.696 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.076 -6.811 -12.257 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.403 -8.594 -13.553 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.663 -7.382 -14.792 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.001 -8.738 -12.004 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.097 -7.422 -11.570 1.00 0.00 H new ATOM 216 N GLY A 13 2.519 -8.485 -12.132 1.00 0.00 N ATOM 217 CA GLY A 13 1.926 -9.496 -11.261 1.00 0.00 C ATOM 218 C GLY A 13 0.812 -10.265 -11.966 1.00 0.00 C ATOM 219 O GLY A 13 0.805 -11.494 -11.908 1.00 0.00 O ATOM 0 H GLY A 13 2.115 -7.557 -12.006 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.698 -10.192 -10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.528 -9.017 -10.366 1.00 0.00 H new ATOM 223 N ILE A 14 -0.074 -9.578 -12.708 1.00 0.00 N ATOM 224 CA ILE A 14 -1.232 -10.228 -13.368 1.00 0.00 C ATOM 225 C ILE A 14 -0.777 -11.373 -14.281 1.00 0.00 C ATOM 226 O ILE A 14 -1.324 -12.477 -14.226 1.00 0.00 O ATOM 227 CB ILE A 14 -2.087 -9.221 -14.173 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.614 -8.071 -13.297 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.277 -9.958 -14.830 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.136 -6.883 -14.114 1.00 0.00 C ATOM 0 H ILE A 14 -0.015 -8.573 -12.869 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.855 -10.635 -12.572 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.444 -8.784 -14.937 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.415 -8.446 -12.659 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.816 -7.729 -12.638 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.878 -9.246 -15.396 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.901 -10.730 -15.501 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.892 -10.417 -14.056 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.493 -6.106 -13.438 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.331 -6.485 -14.732 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.955 -7.213 -14.753 1.00 0.00 H new ATOM 242 N LYS A 15 0.264 -11.125 -15.085 1.00 0.00 N ATOM 243 CA LYS A 15 0.763 -12.092 -16.068 1.00 0.00 C ATOM 244 C LYS A 15 1.680 -13.172 -15.468 1.00 0.00 C ATOM 245 O LYS A 15 1.874 -14.216 -16.091 1.00 0.00 O ATOM 246 CB LYS A 15 1.370 -11.338 -17.266 1.00 0.00 C ATOM 247 CG LYS A 15 1.222 -12.133 -18.579 1.00 0.00 C ATOM 248 CD LYS A 15 1.375 -11.220 -19.808 1.00 0.00 C ATOM 249 CE LYS A 15 0.881 -11.872 -21.109 1.00 0.00 C ATOM 250 NZ LYS A 15 1.750 -12.990 -21.563 1.00 0.00 N ATOM 0 H LYS A 15 0.784 -10.247 -15.072 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.082 -12.674 -16.436 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.881 -10.369 -17.371 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.426 -11.144 -17.076 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.973 -12.923 -18.615 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.247 -12.619 -18.604 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.821 -10.297 -19.638 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.424 -10.946 -19.921 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.133 -12.244 -20.961 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.832 -11.116 -21.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.368 -13.391 -22.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.712 -12.635 -21.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.778 -13.728 -20.830 1.00 0.00 H new ATOM 264 N GLN A 16 2.185 -12.973 -14.245 1.00 0.00 N ATOM 265 CA GLN A 16 2.918 -13.983 -13.476 1.00 0.00 C ATOM 266 C GLN A 16 1.991 -14.935 -12.716 1.00 0.00 C ATOM 267 O GLN A 16 2.264 -16.133 -12.641 1.00 0.00 O ATOM 268 CB GLN A 16 3.877 -13.300 -12.488 1.00 0.00 C ATOM 269 CG GLN A 16 5.262 -13.039 -13.102 1.00 0.00 C ATOM 270 CD GLN A 16 6.329 -12.878 -12.021 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.617 -11.793 -11.533 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.958 -13.960 -11.604 1.00 0.00 N ATOM 0 H GLN A 16 2.093 -12.085 -13.752 1.00 0.00 H new ATOM 0 HA GLN A 16 3.480 -14.580 -14.194 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.444 -12.355 -12.160 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.987 -13.925 -11.602 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.531 -13.865 -13.761 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.226 -12.139 -13.717 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.727 -14.870 -12.003 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.675 -13.887 -10.883 1.00 0.00 H new ATOM 281 N TYR A 17 0.869 -14.433 -12.201 1.00 0.00 N ATOM 282 CA TYR A 17 -0.127 -15.240 -11.502 1.00 0.00 C ATOM 283 C TYR A 17 -0.662 -16.397 -12.343 1.00 0.00 C ATOM 284 O TYR A 17 -0.902 -17.488 -11.819 1.00 0.00 O ATOM 285 CB TYR A 17 -1.280 -14.344 -11.033 1.00 0.00 C ATOM 286 CG TYR A 17 -0.959 -13.515 -9.798 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.298 -14.099 -8.697 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.273 -12.141 -9.762 1.00 0.00 C ATOM 289 CE1 TYR A 17 0.068 -13.311 -7.596 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.932 -11.364 -8.640 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.287 -11.953 -7.538 1.00 0.00 C ATOM 292 OH TYR A 17 -0.069 -11.233 -6.403 1.00 0.00 O ATOM 0 H TYR A 17 0.625 -13.444 -12.259 1.00 0.00 H new ATOM 0 HA TYR A 17 0.371 -15.690 -10.643 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.558 -13.673 -11.846 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.149 -14.968 -10.823 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.073 -15.155 -8.702 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.778 -11.683 -10.600 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.628 -13.752 -6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.167 -10.310 -8.625 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.373 -10.311 -6.537 1.00 0.00 H new ATOM 302 N ARG A 18 -0.789 -16.187 -13.658 1.00 0.00 N ATOM 303 CA ARG A 18 -1.250 -17.237 -14.567 1.00 0.00 C ATOM 304 C ARG A 18 -0.237 -18.386 -14.746 1.00 0.00 C ATOM 305 O ARG A 18 -0.653 -19.529 -14.933 1.00 0.00 O ATOM 306 CB ARG A 18 -1.729 -16.612 -15.878 1.00 0.00 C ATOM 307 CG ARG A 18 -2.448 -17.622 -16.788 1.00 0.00 C ATOM 308 CD ARG A 18 -3.174 -16.945 -17.963 1.00 0.00 C ATOM 309 NE ARG A 18 -2.393 -16.989 -19.217 1.00 0.00 N ATOM 310 CZ ARG A 18 -2.774 -16.505 -20.388 1.00 0.00 C ATOM 311 NH1 ARG A 18 -3.878 -15.826 -20.531 1.00 0.00 N ATOM 312 NH2 ARG A 18 -2.051 -16.703 -21.452 1.00 0.00 N ATOM 0 H ARG A 18 -0.579 -15.299 -14.114 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.106 -17.733 -14.109 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.403 -15.784 -15.657 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.875 -16.194 -16.410 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.722 -18.336 -17.177 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.168 -18.189 -16.198 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.135 -17.434 -18.121 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.383 -15.907 -17.706 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.476 -17.433 -19.176 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.479 -15.653 -19.725 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.141 -15.467 -21.449 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.183 -17.235 -21.387 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.352 -16.326 -22.351 1.00 0.00 H new ATOM 326 N GLU A 19 1.072 -18.134 -14.613 1.00 0.00 N ATOM 327 CA GLU A 19 2.093 -19.200 -14.515 1.00 0.00 C ATOM 328 C GLU A 19 2.035 -19.931 -13.162 1.00 0.00 C ATOM 329 O GLU A 19 2.285 -21.132 -13.079 1.00 0.00 O ATOM 330 CB GLU A 19 3.524 -18.641 -14.672 1.00 0.00 C ATOM 331 CG GLU A 19 4.262 -19.250 -15.870 1.00 0.00 C ATOM 332 CD GLU A 19 5.719 -18.747 -15.961 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.948 -17.513 -16.013 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.653 -19.586 -16.004 1.00 0.00 O ATOM 0 H GLU A 19 1.458 -17.191 -14.570 1.00 0.00 H new ATOM 0 HA GLU A 19 1.866 -19.893 -15.326 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.477 -17.558 -14.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.090 -18.838 -13.762 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.257 -20.337 -15.786 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.733 -18.999 -16.789 1.00 0.00 H new ATOM 341 N ALA A 20 1.738 -19.196 -12.090 1.00 0.00 N ATOM 342 CA ALA A 20 1.831 -19.677 -10.716 1.00 0.00 C ATOM 343 C ALA A 20 0.674 -20.613 -10.334 1.00 0.00 C ATOM 344 O ALA A 20 0.887 -21.522 -9.531 1.00 0.00 O ATOM 345 CB ALA A 20 1.938 -18.472 -9.774 1.00 0.00 C ATOM 0 H ALA A 20 1.419 -18.229 -12.157 1.00 0.00 H new ATOM 0 HA ALA A 20 2.730 -20.286 -10.621 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.008 -18.821 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.828 -17.894 -10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.054 -17.844 -9.885 1.00 0.00 H new ATOM 351 N LEU A 21 -0.513 -20.480 -10.947 1.00 0.00 N ATOM 352 CA LEU A 21 -1.615 -21.454 -10.813 1.00 0.00 C ATOM 353 C LEU A 21 -1.147 -22.869 -11.153 1.00 0.00 C ATOM 354 O LEU A 21 -1.465 -23.814 -10.444 1.00 0.00 O ATOM 355 CB LEU A 21 -2.798 -21.015 -11.693 1.00 0.00 C ATOM 356 CG LEU A 21 -4.147 -21.753 -11.640 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.127 -23.154 -12.251 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.707 -21.797 -10.222 1.00 0.00 C ATOM 0 H LEU A 21 -0.739 -19.691 -11.553 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.947 -21.477 -9.775 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.998 -19.969 -11.459 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.456 -21.051 -12.727 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.811 -21.161 -12.270 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.118 -23.600 -12.171 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.843 -23.089 -13.301 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.406 -23.773 -11.718 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.660 -22.326 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.005 -22.316 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.857 -20.780 -9.858 1.00 0.00 H new ATOM 370 N GLU A 22 -0.296 -23.020 -12.161 1.00 0.00 N ATOM 371 CA GLU A 22 0.257 -24.325 -12.563 1.00 0.00 C ATOM 372 C GLU A 22 1.163 -24.987 -11.506 1.00 0.00 C ATOM 373 O GLU A 22 1.439 -26.186 -11.568 1.00 0.00 O ATOM 374 CB GLU A 22 1.039 -24.132 -13.861 1.00 0.00 C ATOM 375 CG GLU A 22 0.369 -24.875 -15.029 1.00 0.00 C ATOM 376 CD GLU A 22 0.889 -24.413 -16.406 1.00 0.00 C ATOM 377 OE1 GLU A 22 2.114 -24.491 -16.664 1.00 0.00 O ATOM 378 OE2 GLU A 22 0.065 -23.994 -17.257 1.00 0.00 O ATOM 0 H GLU A 22 0.037 -22.242 -12.731 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.587 -25.004 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.107 -23.069 -14.093 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.058 -24.496 -13.732 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.543 -25.946 -14.920 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.709 -24.720 -14.982 1.00 0.00 H new ATOM 385 N TYR A 23 1.589 -24.196 -10.525 1.00 0.00 N ATOM 386 CA TYR A 23 2.518 -24.522 -9.442 1.00 0.00 C ATOM 387 C TYR A 23 1.841 -24.536 -8.060 1.00 0.00 C ATOM 388 O TYR A 23 2.490 -24.808 -7.046 1.00 0.00 O ATOM 389 CB TYR A 23 3.687 -23.515 -9.490 1.00 0.00 C ATOM 390 CG TYR A 23 4.986 -24.138 -9.949 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.584 -25.131 -9.154 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.582 -23.748 -11.165 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.771 -25.751 -9.584 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.776 -24.361 -11.594 1.00 0.00 C ATOM 395 CZ TYR A 23 7.370 -25.375 -10.805 1.00 0.00 C ATOM 396 OH TYR A 23 8.511 -26.001 -11.207 1.00 0.00 O ATOM 0 H TYR A 23 1.268 -23.230 -10.460 1.00 0.00 H new ATOM 0 HA TYR A 23 2.890 -25.536 -9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.426 -22.696 -10.161 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.828 -23.083 -8.499 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.133 -25.417 -8.215 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.123 -22.979 -11.769 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.226 -26.519 -8.976 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.237 -24.058 -12.523 1.00 0.00 H new ATOM 0 HH TYR A 23 8.801 -25.632 -12.068 1.00 0.00 H new ATOM 406 N THR A 24 0.533 -24.259 -8.011 1.00 0.00 N ATOM 407 CA THR A 24 -0.237 -24.050 -6.771 1.00 0.00 C ATOM 408 C THR A 24 -1.627 -24.691 -6.823 1.00 0.00 C ATOM 409 O THR A 24 -2.030 -25.369 -5.881 1.00 0.00 O ATOM 410 CB THR A 24 -0.416 -22.549 -6.505 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.977 -21.939 -7.633 1.00 0.00 O ATOM 412 CG2 THR A 24 0.868 -21.779 -6.193 1.00 0.00 C ATOM 0 H THR A 24 -0.037 -24.171 -8.852 1.00 0.00 H new ATOM 0 HA THR A 24 0.334 -24.525 -5.973 1.00 0.00 H new ATOM 0 HB THR A 24 -1.050 -22.505 -5.620 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.288 -21.825 -8.320 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.630 -20.729 -6.021 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.335 -22.196 -5.300 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.556 -21.862 -7.035 1.00 0.00 H new ATOM 420 N HIS A 25 -2.334 -24.528 -7.945 1.00 0.00 N ATOM 421 CA HIS A 25 -3.702 -24.981 -8.245 1.00 0.00 C ATOM 422 C HIS A 25 -4.736 -24.673 -7.133 1.00 0.00 C ATOM 423 O HIS A 25 -5.600 -25.498 -6.823 1.00 0.00 O ATOM 424 CB HIS A 25 -3.665 -26.461 -8.689 1.00 0.00 C ATOM 425 CG HIS A 25 -3.345 -26.646 -10.150 1.00 0.00 C ATOM 426 ND1 HIS A 25 -4.275 -26.731 -11.172 1.00 0.00 N ATOM 427 CD2 HIS A 25 -2.104 -26.805 -10.700 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.610 -26.942 -12.324 1.00 0.00 C ATOM 429 NE2 HIS A 25 -2.288 -27.002 -12.060 1.00 0.00 N ATOM 0 H HIS A 25 -1.930 -24.032 -8.740 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.078 -24.388 -9.079 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.922 -26.992 -8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.631 -26.919 -8.477 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.160 -26.782 -10.175 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.061 -27.046 -13.300 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.550 -27.165 -12.745 1.00 0.00 H new ATOM 438 N ASN A 26 -4.656 -23.488 -6.516 1.00 0.00 N ATOM 439 CA ASN A 26 -5.458 -23.114 -5.339 1.00 0.00 C ATOM 440 C ASN A 26 -6.577 -22.094 -5.655 1.00 0.00 C ATOM 441 O ASN A 26 -6.437 -21.285 -6.576 1.00 0.00 O ATOM 442 CB ASN A 26 -4.502 -22.625 -4.228 1.00 0.00 C ATOM 443 CG ASN A 26 -4.208 -23.713 -3.200 1.00 0.00 C ATOM 444 OD1 ASN A 26 -3.767 -24.806 -3.513 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.472 -23.475 -1.935 1.00 0.00 N ATOM 0 H ASN A 26 -4.023 -22.749 -6.823 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.996 -23.996 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.567 -22.290 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.942 -21.763 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.307 -24.198 -1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.841 -22.567 -1.653 1.00 0.00 H new ATOM 452 N PRO A 27 -7.658 -22.051 -4.840 1.00 0.00 N ATOM 453 CA PRO A 27 -8.781 -21.114 -5.004 1.00 0.00 C ATOM 454 C PRO A 27 -8.416 -19.650 -4.702 1.00 0.00 C ATOM 455 O PRO A 27 -9.233 -18.748 -4.888 1.00 0.00 O ATOM 456 CB PRO A 27 -9.862 -21.614 -4.035 1.00 0.00 C ATOM 457 CG PRO A 27 -9.055 -22.268 -2.917 1.00 0.00 C ATOM 458 CD PRO A 27 -7.897 -22.905 -3.679 1.00 0.00 C ATOM 0 HA PRO A 27 -9.109 -21.102 -6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.477 -20.795 -3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.535 -22.325 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.708 -21.538 -2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.641 -23.009 -2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.007 -22.970 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.145 -23.921 -3.987 1.00 0.00 H new ATOM 466 N VAL A 28 -7.192 -19.398 -4.231 1.00 0.00 N ATOM 467 CA VAL A 28 -6.717 -18.082 -3.811 1.00 0.00 C ATOM 468 C VAL A 28 -6.301 -17.251 -5.020 1.00 0.00 C ATOM 469 O VAL A 28 -6.574 -16.058 -5.072 1.00 0.00 O ATOM 470 CB VAL A 28 -5.546 -18.251 -2.837 1.00 0.00 C ATOM 471 CG1 VAL A 28 -5.296 -16.949 -2.106 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.740 -19.319 -1.745 1.00 0.00 C ATOM 0 H VAL A 28 -6.486 -20.127 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.525 -17.553 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.718 -18.567 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.463 -17.074 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.055 -16.167 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.190 -16.667 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.854 -19.357 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.609 -19.065 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.894 -20.292 -2.211 1.00 0.00 H new ATOM 482 N LEU A 29 -5.718 -17.864 -6.051 1.00 0.00 N ATOM 483 CA LEU A 29 -5.359 -17.165 -7.283 1.00 0.00 C ATOM 484 C LEU A 29 -6.607 -16.663 -8.036 1.00 0.00 C ATOM 485 O LEU A 29 -6.594 -15.557 -8.573 1.00 0.00 O ATOM 486 CB LEU A 29 -4.499 -18.094 -8.144 1.00 0.00 C ATOM 487 CG LEU A 29 -3.188 -18.547 -7.473 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.314 -19.957 -6.897 1.00 0.00 C ATOM 489 CD2 LEU A 29 -2.048 -18.533 -8.490 1.00 0.00 C ATOM 0 H LEU A 29 -5.482 -18.856 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.780 -16.274 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.085 -18.976 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.259 -17.586 -9.078 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.978 -17.852 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.372 -20.245 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.108 -19.976 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.552 -20.657 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.125 -18.855 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.284 -19.211 -9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.920 -17.523 -8.880 1.00 0.00 H new ATOM 501 N ALA A 30 -7.714 -17.413 -7.956 1.00 0.00 N ATOM 502 CA ALA A 30 -9.062 -17.017 -8.391 1.00 0.00 C ATOM 503 C ALA A 30 -9.692 -15.857 -7.577 1.00 0.00 C ATOM 504 O ALA A 30 -10.841 -15.478 -7.820 1.00 0.00 O ATOM 505 CB ALA A 30 -9.952 -18.268 -8.374 1.00 0.00 C ATOM 0 H ALA A 30 -7.694 -18.356 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.978 -16.610 -9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.960 -18.002 -8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.542 -19.016 -9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.987 -18.676 -7.364 1.00 0.00 H new ATOM 511 N LYS A 31 -8.944 -15.274 -6.631 1.00 0.00 N ATOM 512 CA LYS A 31 -9.257 -14.060 -5.873 1.00 0.00 C ATOM 513 C LYS A 31 -8.168 -13.005 -6.053 1.00 0.00 C ATOM 514 O LYS A 31 -8.486 -11.858 -6.346 1.00 0.00 O ATOM 515 CB LYS A 31 -9.446 -14.406 -4.379 1.00 0.00 C ATOM 516 CG LYS A 31 -10.618 -15.356 -4.084 1.00 0.00 C ATOM 517 CD LYS A 31 -11.957 -14.608 -3.985 1.00 0.00 C ATOM 518 CE LYS A 31 -13.076 -15.381 -4.689 1.00 0.00 C ATOM 519 NZ LYS A 31 -14.407 -14.784 -4.403 1.00 0.00 N ATOM 0 H LYS A 31 -8.043 -15.667 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.188 -13.642 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.527 -14.857 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.596 -13.481 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.681 -16.109 -4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.429 -15.885 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.217 -14.460 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.858 -13.619 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.899 -15.382 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.064 -16.421 -4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.145 -15.329 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.584 -14.805 -3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.425 -13.799 -4.737 1.00 0.00 H new ATOM 533 N ILE A 32 -6.893 -13.395 -5.972 1.00 0.00 N ATOM 534 CA ILE A 32 -5.753 -12.476 -6.100 1.00 0.00 C ATOM 535 C ILE A 32 -5.702 -11.894 -7.512 1.00 0.00 C ATOM 536 O ILE A 32 -6.036 -10.727 -7.704 1.00 0.00 O ATOM 537 CB ILE A 32 -4.412 -13.143 -5.716 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.397 -13.676 -4.268 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.265 -12.126 -5.878 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.301 -14.729 -4.078 1.00 0.00 C ATOM 0 H ILE A 32 -6.618 -14.365 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.904 -11.662 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.282 -13.995 -6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.236 -12.850 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.368 -14.110 -4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.320 -12.597 -5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.219 -11.791 -6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.443 -11.270 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.314 -15.086 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.478 -15.565 -4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.329 -14.286 -4.296 1.00 0.00 H new ATOM 552 N LEU A 33 -5.334 -12.701 -8.513 1.00 0.00 N ATOM 553 CA LEU A 33 -5.202 -12.223 -9.892 1.00 0.00 C ATOM 554 C LEU A 33 -6.548 -11.763 -10.458 1.00 0.00 C ATOM 555 O LEU A 33 -6.586 -10.876 -11.304 1.00 0.00 O ATOM 556 CB LEU A 33 -4.499 -13.284 -10.759 1.00 0.00 C ATOM 557 CG LEU A 33 -5.411 -14.270 -11.515 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.811 -13.807 -12.918 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.773 -15.655 -11.645 1.00 0.00 C ATOM 0 H LEU A 33 -5.122 -13.691 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.567 -11.337 -9.902 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.875 -12.769 -11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.831 -13.860 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.310 -14.315 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.452 -14.558 -13.380 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.350 -12.862 -12.849 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.916 -13.671 -13.525 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.450 -16.318 -12.184 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.833 -15.573 -12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.581 -16.062 -10.652 1.00 0.00 H new ATOM 571 N GLU A 34 -7.647 -12.337 -9.958 1.00 0.00 N ATOM 572 CA GLU A 34 -9.004 -11.927 -10.313 1.00 0.00 C ATOM 573 C GLU A 34 -9.241 -10.450 -9.971 1.00 0.00 C ATOM 574 O GLU A 34 -9.806 -9.711 -10.779 1.00 0.00 O ATOM 575 CB GLU A 34 -10.007 -12.847 -9.604 1.00 0.00 C ATOM 576 CG GLU A 34 -11.485 -12.454 -9.766 1.00 0.00 C ATOM 577 CD GLU A 34 -11.979 -12.452 -11.227 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.784 -13.463 -11.947 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.618 -11.453 -11.641 1.00 0.00 O ATOM 0 H GLU A 34 -7.616 -13.107 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.144 -12.023 -11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.874 -13.861 -9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.768 -12.868 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.099 -13.144 -9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.635 -11.461 -9.342 1.00 0.00 H new ATOM 586 N ASP A 35 -8.767 -9.988 -8.810 1.00 0.00 N ATOM 587 CA ASP A 35 -8.821 -8.573 -8.461 1.00 0.00 C ATOM 588 C ASP A 35 -7.803 -7.733 -9.225 1.00 0.00 C ATOM 589 O ASP A 35 -8.162 -6.687 -9.770 1.00 0.00 O ATOM 590 CB ASP A 35 -8.587 -8.436 -6.957 1.00 0.00 C ATOM 591 CG ASP A 35 -9.665 -9.031 -6.038 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.843 -9.170 -6.455 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.312 -9.311 -4.866 1.00 0.00 O ATOM 0 H ASP A 35 -8.341 -10.579 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.804 -8.195 -8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.635 -8.908 -6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.486 -7.376 -6.723 1.00 0.00 H new ATOM 598 N GLU A 36 -6.559 -8.193 -9.349 1.00 0.00 N ATOM 599 CA GLU A 36 -5.534 -7.470 -10.103 1.00 0.00 C ATOM 600 C GLU A 36 -5.923 -7.218 -11.565 1.00 0.00 C ATOM 601 O GLU A 36 -5.500 -6.221 -12.148 1.00 0.00 O ATOM 602 CB GLU A 36 -4.206 -8.225 -10.064 1.00 0.00 C ATOM 603 CG GLU A 36 -3.662 -8.536 -8.673 1.00 0.00 C ATOM 604 CD GLU A 36 -3.227 -7.331 -7.862 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.562 -6.157 -8.153 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.543 -7.505 -6.827 1.00 0.00 O ATOM 0 H GLU A 36 -6.235 -9.067 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.434 -6.499 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.327 -9.164 -10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.461 -7.640 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.428 -9.073 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.812 -9.210 -8.776 1.00 0.00 H new ATOM 613 N GLU A 37 -6.776 -8.071 -12.141 1.00 0.00 N ATOM 614 CA GLU A 37 -7.223 -7.951 -13.539 1.00 0.00 C ATOM 615 C GLU A 37 -8.090 -6.698 -13.754 1.00 0.00 C ATOM 616 O GLU A 37 -8.187 -6.164 -14.862 1.00 0.00 O ATOM 617 CB GLU A 37 -7.982 -9.227 -13.938 1.00 0.00 C ATOM 618 CG GLU A 37 -8.149 -9.363 -15.459 1.00 0.00 C ATOM 619 CD GLU A 37 -8.629 -10.768 -15.884 1.00 0.00 C ATOM 620 OE1 GLU A 37 -9.531 -11.348 -15.233 1.00 0.00 O ATOM 621 OE2 GLU A 37 -8.125 -11.292 -16.908 1.00 0.00 O ATOM 0 H GLU A 37 -7.180 -8.869 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.347 -7.838 -14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.449 -10.097 -13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.965 -9.223 -13.467 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.863 -8.618 -15.810 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.198 -9.146 -15.945 1.00 0.00 H new ATOM 628 N LYS A 38 -8.678 -6.212 -12.658 1.00 0.00 N ATOM 629 CA LYS A 38 -9.514 -5.012 -12.569 1.00 0.00 C ATOM 630 C LYS A 38 -8.736 -3.826 -12.036 1.00 0.00 C ATOM 631 O LYS A 38 -8.865 -2.743 -12.590 1.00 0.00 O ATOM 632 CB LYS A 38 -10.717 -5.292 -11.654 1.00 0.00 C ATOM 633 CG LYS A 38 -11.480 -6.544 -12.096 1.00 0.00 C ATOM 634 CD LYS A 38 -12.729 -6.820 -11.259 1.00 0.00 C ATOM 635 CE LYS A 38 -12.379 -7.499 -9.929 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.320 -8.608 -9.619 1.00 0.00 N ATOM 0 H LYS A 38 -8.577 -6.674 -11.754 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.856 -4.764 -13.574 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.373 -5.418 -10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.389 -4.434 -11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.769 -6.434 -13.141 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.815 -7.406 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.251 -5.883 -11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.413 -7.454 -11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.361 -7.886 -9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.405 -6.763 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.055 -9.045 -8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.288 -8.234 -9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.276 -9.322 -10.374 1.00 0.00 H new ATOM 650 N HIS A 39 -7.906 -4.027 -11.012 1.00 0.00 N ATOM 651 CA HIS A 39 -7.215 -3.001 -10.247 1.00 0.00 C ATOM 652 C HIS A 39 -6.548 -1.900 -11.076 1.00 0.00 C ATOM 653 O HIS A 39 -6.810 -0.729 -10.826 1.00 0.00 O ATOM 654 CB HIS A 39 -6.176 -3.727 -9.414 1.00 0.00 C ATOM 655 CG HIS A 39 -6.644 -4.303 -8.115 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.756 -4.603 -7.087 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.924 -4.561 -7.710 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.522 -5.015 -6.067 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.824 -4.984 -6.406 1.00 0.00 N ATOM 0 H HIS A 39 -7.689 -4.966 -10.679 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.956 -2.467 -9.652 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.761 -4.536 -10.016 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.361 -3.034 -9.206 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.739 -4.526 -7.105 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.827 -4.455 -8.294 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.146 -5.329 -5.105 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.605 -5.232 -5.798 1.00 0.00 H new ATOM 667 N ILE A 40 -5.721 -2.248 -12.065 1.00 0.00 N ATOM 668 CA ILE A 40 -5.009 -1.245 -12.883 1.00 0.00 C ATOM 669 C ILE A 40 -5.999 -0.322 -13.598 1.00 0.00 C ATOM 670 O ILE A 40 -5.863 0.897 -13.553 1.00 0.00 O ATOM 671 CB ILE A 40 -4.080 -1.906 -13.918 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.106 -2.854 -13.208 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.271 -0.857 -14.702 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.141 -3.549 -14.168 1.00 0.00 C ATOM 0 H ILE A 40 -5.524 -3.215 -12.324 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.396 -0.656 -12.200 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.705 -2.458 -14.620 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.534 -2.292 -12.470 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.674 -3.608 -12.663 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.626 -1.359 -15.423 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.954 -0.190 -15.228 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.659 -0.278 -14.010 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.478 -4.206 -13.605 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.707 -4.137 -14.890 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.549 -2.800 -14.694 1.00 0.00 H new ATOM 686 N GLU A 41 -7.016 -0.906 -14.231 1.00 0.00 N ATOM 687 CA GLU A 41 -8.075 -0.144 -14.891 1.00 0.00 C ATOM 688 C GLU A 41 -8.957 0.596 -13.881 1.00 0.00 C ATOM 689 O GLU A 41 -9.350 1.737 -14.120 1.00 0.00 O ATOM 690 CB GLU A 41 -8.898 -1.069 -15.804 1.00 0.00 C ATOM 691 CG GLU A 41 -8.927 -0.514 -17.231 1.00 0.00 C ATOM 692 CD GLU A 41 -9.665 -1.471 -18.185 1.00 0.00 C ATOM 693 OE1 GLU A 41 -9.012 -2.362 -18.782 1.00 0.00 O ATOM 694 OE2 GLU A 41 -10.902 -1.337 -18.355 1.00 0.00 O ATOM 0 H GLU A 41 -7.129 -1.917 -14.301 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.611 0.623 -15.512 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.466 -2.070 -15.804 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.914 -1.160 -15.421 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.418 0.459 -17.236 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.908 -0.358 -17.584 1.00 0.00 H new ATOM 701 N TRP A 42 -9.202 -0.002 -12.714 1.00 0.00 N ATOM 702 CA TRP A 42 -9.861 0.647 -11.587 1.00 0.00 C ATOM 703 C TRP A 42 -9.204 1.987 -11.182 1.00 0.00 C ATOM 704 O TRP A 42 -9.943 2.905 -10.867 1.00 0.00 O ATOM 705 CB TRP A 42 -9.985 -0.383 -10.441 1.00 0.00 C ATOM 706 CG TRP A 42 -11.177 -1.288 -10.433 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.106 -1.389 -11.409 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.558 -2.264 -9.411 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.056 -2.322 -11.043 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.764 -2.906 -9.824 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.004 -2.682 -8.179 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.385 -3.905 -9.057 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.615 -3.687 -7.404 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.801 -4.300 -7.840 1.00 0.00 C ATOM 0 H TRP A 42 -8.942 -0.970 -12.525 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.865 0.956 -11.877 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.092 -1.008 -10.456 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.975 0.164 -9.498 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.106 -0.828 -12.332 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -13.875 -2.553 -11.605 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.094 -2.221 -7.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.301 -4.365 -9.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.168 -3.988 -6.468 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.263 -5.072 -7.243 1.00 0.00 H new ATOM 725 N LEU A 43 -7.885 2.193 -11.299 1.00 0.00 N ATOM 726 CA LEU A 43 -7.207 3.487 -11.024 1.00 0.00 C ATOM 727 C LEU A 43 -6.829 4.349 -12.270 1.00 0.00 C ATOM 728 O LEU A 43 -5.838 5.064 -12.273 1.00 0.00 O ATOM 729 CB LEU A 43 -6.046 3.259 -10.041 1.00 0.00 C ATOM 730 CG LEU A 43 -4.815 2.634 -10.710 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.625 3.561 -10.593 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.387 1.343 -10.048 1.00 0.00 C ATOM 0 H LEU A 43 -7.240 1.459 -11.592 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.950 4.129 -10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.765 4.211 -9.591 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.383 2.611 -9.232 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.106 2.453 -11.745 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.759 3.104 -11.072 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.852 4.508 -11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.405 3.740 -9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.512 0.944 -10.561 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.140 1.534 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.201 0.620 -10.102 1.00 0.00 H new ATOM 744 N GLU A 44 -7.622 4.329 -13.338 1.00 0.00 N ATOM 745 CA GLU A 44 -7.469 4.901 -14.655 1.00 0.00 C ATOM 746 C GLU A 44 -8.853 5.244 -15.234 1.00 0.00 C ATOM 747 O GLU A 44 -9.060 6.368 -15.692 1.00 0.00 O ATOM 748 CB GLU A 44 -6.800 3.876 -15.576 1.00 0.00 C ATOM 749 CG GLU A 44 -5.642 4.542 -16.328 1.00 0.00 C ATOM 750 CD GLU A 44 -5.162 3.752 -17.563 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.343 2.513 -17.640 1.00 0.00 O ATOM 752 OE2 GLU A 44 -4.602 4.388 -18.491 1.00 0.00 O ATOM 0 H GLU A 44 -8.513 3.837 -13.279 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.860 5.803 -14.585 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.431 3.033 -14.992 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.527 3.479 -16.284 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.952 5.538 -16.644 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.804 4.671 -15.643 1.00 0.00 H new ATOM 759 N THR A 45 -9.827 4.318 -15.148 1.00 0.00 N ATOM 760 CA THR A 45 -11.209 4.525 -15.610 1.00 0.00 C ATOM 761 C THR A 45 -11.856 5.749 -14.951 1.00 0.00 C ATOM 762 O THR A 45 -12.587 6.513 -15.579 1.00 0.00 O ATOM 763 CB THR A 45 -12.052 3.259 -15.382 1.00 0.00 C ATOM 764 OG1 THR A 45 -11.573 2.231 -16.223 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.540 3.426 -15.694 1.00 0.00 C ATOM 0 H THR A 45 -9.671 3.392 -14.749 1.00 0.00 H new ATOM 0 HA THR A 45 -11.172 4.724 -16.681 1.00 0.00 H new ATOM 0 HB THR A 45 -11.956 3.030 -14.321 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.784 1.816 -15.816 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.059 2.486 -15.506 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.960 4.206 -15.058 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.663 3.705 -16.740 1.00 0.00 H new ATOM 773 N ILE A 46 -11.516 5.962 -13.681 1.00 0.00 N ATOM 774 CA ILE A 46 -11.893 7.113 -12.851 1.00 0.00 C ATOM 775 C ILE A 46 -11.291 8.436 -13.295 1.00 0.00 C ATOM 776 O ILE A 46 -11.971 9.463 -13.320 1.00 0.00 O ATOM 777 CB ILE A 46 -11.369 6.837 -11.441 1.00 0.00 C ATOM 778 CG1 ILE A 46 -11.920 5.548 -10.862 1.00 0.00 C ATOM 779 CG2 ILE A 46 -11.583 7.970 -10.448 1.00 0.00 C ATOM 780 CD1 ILE A 46 -13.426 5.261 -11.058 1.00 0.00 C ATOM 0 H ILE A 46 -10.935 5.298 -13.170 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.976 7.215 -12.921 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.293 6.741 -11.584 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.361 4.719 -11.296 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.714 5.546 -9.792 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.180 7.684 -9.477 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.073 8.866 -10.803 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.650 8.173 -10.352 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.678 4.308 -10.593 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.011 6.056 -10.596 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.652 5.216 -12.123 1.00 0.00 H new ATOM 792 N LEU A 47 -9.989 8.408 -13.581 1.00 0.00 N ATOM 793 CA LEU A 47 -9.164 9.599 -13.775 1.00 0.00 C ATOM 794 C LEU A 47 -9.663 10.462 -14.944 1.00 0.00 C ATOM 795 O LEU A 47 -9.528 11.687 -14.940 1.00 0.00 O ATOM 796 CB LEU A 47 -7.721 9.179 -14.062 1.00 0.00 C ATOM 797 CG LEU A 47 -7.060 8.207 -13.075 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.652 7.991 -13.621 1.00 0.00 C ATOM 799 CD2 LEU A 47 -7.022 8.722 -11.636 1.00 0.00 C ATOM 0 H LEU A 47 -9.468 7.537 -13.686 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.224 10.190 -12.861 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.693 8.725 -15.052 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.110 10.081 -14.107 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.636 7.284 -13.008 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.110 7.305 -12.970 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.712 7.568 -14.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.127 8.945 -13.660 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.541 7.981 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.459 9.655 -11.598 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.039 8.898 -11.285 1.00 0.00 H new ATOM 811 N GLY A 48 -10.254 9.789 -15.933 1.00 0.00 N ATOM 812 CA GLY A 48 -10.910 10.375 -17.100 1.00 0.00 C ATOM 813 C GLY A 48 -11.594 9.337 -18.005 1.00 0.00 C ATOM 814 O GLY A 48 -12.498 9.677 -18.767 1.00 0.00 O ATOM 0 H GLY A 48 -10.289 8.770 -15.941 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.653 11.098 -16.764 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.172 10.924 -17.684 1.00 0.00 H new HETATM 818 N NH2 A 49 -11.222 8.062 -17.926 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.413 -19.924 -4.710 1.00 0.00 C HETATM 823 O ACE B 0 9.800 -19.266 -3.873 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.087 -21.382 -4.923 1.00 0.00 C HETATM 0 H1 ACE B 0 9.770 -21.537 -5.954 1.00 0.00 H new HETATM 0 H2 ACE B 0 10.972 -21.986 -4.721 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.284 -21.678 -4.248 1.00 0.00 H new ATOM 828 N ASP B 1 11.378 -19.409 -5.469 1.00 0.00 N ATOM 829 CA ASP B 1 11.865 -18.024 -5.338 1.00 0.00 C ATOM 830 C ASP B 1 10.845 -16.968 -5.813 1.00 0.00 C ATOM 831 O ASP B 1 10.836 -15.834 -5.328 1.00 0.00 O ATOM 832 CB ASP B 1 13.196 -17.874 -6.099 1.00 0.00 C ATOM 833 CG ASP B 1 14.252 -17.145 -5.251 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.832 -17.783 -4.338 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.521 -15.946 -5.500 1.00 0.00 O ATOM 0 H ASP B 1 11.852 -19.940 -6.200 1.00 0.00 H new ATOM 0 HA ASP B 1 12.017 -17.836 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.569 -18.859 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.027 -17.323 -7.024 1.00 0.00 H new ATOM 840 N TYR B 2 9.953 -17.358 -6.731 1.00 0.00 N ATOM 841 CA TYR B 2 8.894 -16.504 -7.281 1.00 0.00 C ATOM 842 C TYR B 2 7.963 -15.934 -6.206 1.00 0.00 C ATOM 843 O TYR B 2 7.546 -14.787 -6.310 1.00 0.00 O ATOM 844 CB TYR B 2 8.083 -17.273 -8.338 1.00 0.00 C ATOM 845 CG TYR B 2 7.131 -18.336 -7.809 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.599 -19.631 -7.514 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.770 -18.022 -7.610 1.00 0.00 C ATOM 848 CE1 TYR B 2 6.718 -20.605 -7.002 1.00 0.00 C ATOM 849 CE2 TYR B 2 4.885 -18.993 -7.102 1.00 0.00 C ATOM 850 CZ TYR B 2 5.357 -20.287 -6.792 1.00 0.00 C ATOM 851 OH TYR B 2 4.503 -21.216 -6.283 1.00 0.00 O ATOM 0 H TYR B 2 9.948 -18.300 -7.122 1.00 0.00 H new ATOM 0 HA TYR B 2 9.390 -15.653 -7.748 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.505 -16.553 -8.918 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.781 -17.750 -9.026 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.637 -19.879 -7.681 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.405 -17.034 -7.848 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.083 -21.595 -6.770 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.844 -18.747 -6.949 1.00 0.00 H new ATOM 0 HH TYR B 2 3.607 -20.828 -6.203 1.00 0.00 H new ATOM 861 N LEU B 3 7.685 -16.712 -5.155 1.00 0.00 N ATOM 862 CA LEU B 3 6.824 -16.347 -4.020 1.00 0.00 C ATOM 863 C LEU B 3 7.345 -15.089 -3.326 1.00 0.00 C ATOM 864 O LEU B 3 6.617 -14.107 -3.200 1.00 0.00 O ATOM 865 CB LEU B 3 6.785 -17.505 -3.001 1.00 0.00 C ATOM 866 CG LEU B 3 6.106 -18.790 -3.503 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.397 -19.962 -2.560 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.588 -18.621 -3.609 1.00 0.00 C ATOM 0 H LEU B 3 8.069 -17.653 -5.066 1.00 0.00 H new ATOM 0 HA LEU B 3 5.822 -16.152 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.807 -17.744 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.266 -17.164 -2.106 1.00 0.00 H new ATOM 0 HG LEU B 3 6.514 -18.995 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.907 -20.861 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.473 -20.130 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.019 -19.731 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.143 -19.549 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.180 -18.377 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.359 -17.816 -4.308 1.00 0.00 H new ATOM 880 N ARG B 4 8.624 -15.094 -2.925 1.00 0.00 N ATOM 881 CA ARG B 4 9.287 -13.934 -2.315 1.00 0.00 C ATOM 882 C ARG B 4 9.255 -12.727 -3.246 1.00 0.00 C ATOM 883 O ARG B 4 8.919 -11.633 -2.804 1.00 0.00 O ATOM 884 CB ARG B 4 10.715 -14.320 -1.892 1.00 0.00 C ATOM 885 CG ARG B 4 11.469 -13.129 -1.275 1.00 0.00 C ATOM 886 CD ARG B 4 12.699 -13.561 -0.469 1.00 0.00 C ATOM 887 NE ARG B 4 12.310 -14.142 0.833 1.00 0.00 N ATOM 888 CZ ARG B 4 13.100 -14.379 1.864 1.00 0.00 C ATOM 889 NH1 ARG B 4 14.385 -14.169 1.819 1.00 0.00 N ATOM 890 NH2 ARG B 4 12.603 -14.834 2.979 1.00 0.00 N ATOM 0 H ARG B 4 9.231 -15.909 -3.016 1.00 0.00 H new ATOM 0 HA ARG B 4 8.743 -13.637 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.673 -15.136 -1.171 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.264 -14.688 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.780 -12.450 -2.069 1.00 0.00 H new ATOM 0 HG3 ARG B 4 10.792 -12.572 -0.627 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.272 -14.292 -1.039 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.350 -12.702 -0.307 1.00 0.00 H new ATOM 0 HE ARG B 4 11.326 -14.386 0.947 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.813 -13.809 0.966 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.963 -14.364 2.637 1.00 0.00 H new ATOM 0 HH21 ARG B 4 11.601 -15.008 3.057 1.00 0.00 H new ATOM 0 HH22 ARG B 4 13.216 -15.016 3.774 1.00 0.00 H new ATOM 904 N GLU B 5 9.535 -12.928 -4.531 1.00 0.00 N ATOM 905 CA GLU B 5 9.518 -11.850 -5.531 1.00 0.00 C ATOM 906 C GLU B 5 8.112 -11.230 -5.713 1.00 0.00 C ATOM 907 O GLU B 5 7.973 -10.018 -5.892 1.00 0.00 O ATOM 908 CB GLU B 5 10.082 -12.412 -6.843 1.00 0.00 C ATOM 909 CG GLU B 5 10.392 -11.352 -7.904 1.00 0.00 C ATOM 910 CD GLU B 5 11.525 -10.395 -7.475 1.00 0.00 C ATOM 911 OE1 GLU B 5 12.706 -10.818 -7.448 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.248 -9.209 -7.175 1.00 0.00 O ATOM 0 H GLU B 5 9.781 -13.841 -4.914 1.00 0.00 H new ATOM 0 HA GLU B 5 10.143 -11.026 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.994 -12.967 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.367 -13.124 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU B 5 10.672 -11.846 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.491 -10.774 -8.108 1.00 0.00 H new ATOM 919 N LEU B 6 7.065 -12.052 -5.604 1.00 0.00 N ATOM 920 CA LEU B 6 5.648 -11.676 -5.612 1.00 0.00 C ATOM 921 C LEU B 6 5.247 -10.847 -4.379 1.00 0.00 C ATOM 922 O LEU B 6 4.714 -9.743 -4.499 1.00 0.00 O ATOM 923 CB LEU B 6 4.829 -12.987 -5.689 1.00 0.00 C ATOM 924 CG LEU B 6 4.095 -13.174 -7.018 1.00 0.00 C ATOM 925 CD1 LEU B 6 5.040 -13.261 -8.217 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.304 -14.479 -6.982 1.00 0.00 C ATOM 0 H LEU B 6 7.191 -13.059 -5.502 1.00 0.00 H new ATOM 0 HA LEU B 6 5.447 -11.035 -6.471 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.498 -13.833 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.102 -12.999 -4.877 1.00 0.00 H new ATOM 0 HG LEU B 6 3.454 -12.301 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.459 -13.393 -9.130 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.623 -12.343 -8.288 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.713 -14.109 -8.089 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.780 -14.613 -7.929 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.987 -15.314 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.579 -14.443 -6.169 1.00 0.00 H new ATOM 938 N LEU B 7 5.520 -11.392 -3.192 1.00 0.00 N ATOM 939 CA LEU B 7 5.223 -10.799 -1.882 1.00 0.00 C ATOM 940 C LEU B 7 5.917 -9.436 -1.680 1.00 0.00 C ATOM 941 O LEU B 7 5.288 -8.471 -1.238 1.00 0.00 O ATOM 942 CB LEU B 7 5.675 -11.781 -0.780 1.00 0.00 C ATOM 943 CG LEU B 7 4.919 -13.125 -0.733 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.754 -14.190 -0.023 1.00 0.00 C ATOM 945 CD2 LEU B 7 3.609 -13.015 0.032 1.00 0.00 C ATOM 0 H LEU B 7 5.975 -12.301 -3.112 1.00 0.00 H new ATOM 0 HA LEU B 7 4.149 -10.621 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.737 -11.987 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.566 -11.289 0.187 1.00 0.00 H new ATOM 0 HG LEU B 7 4.725 -13.398 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.202 -15.130 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU B 7 6.693 -14.333 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.963 -13.868 0.997 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.110 -13.984 0.040 1.00 0.00 H new ATOM 0 HD22 LEU B 7 3.811 -12.702 1.056 1.00 0.00 H new ATOM 0 HD23 LEU B 7 2.966 -12.280 -0.452 1.00 0.00 H new ATOM 957 N LYS B 8 7.211 -9.355 -2.019 1.00 0.00 N ATOM 958 CA LYS B 8 8.108 -8.194 -1.843 1.00 0.00 C ATOM 959 C LYS B 8 7.869 -7.094 -2.891 1.00 0.00 C ATOM 960 O LYS B 8 8.774 -6.713 -3.638 1.00 0.00 O ATOM 961 CB LYS B 8 9.577 -8.678 -1.831 1.00 0.00 C ATOM 962 CG LYS B 8 9.923 -9.562 -0.619 1.00 0.00 C ATOM 963 CD LYS B 8 10.260 -8.724 0.621 1.00 0.00 C ATOM 964 CE LYS B 8 10.310 -9.609 1.870 1.00 0.00 C ATOM 965 NZ LYS B 8 10.697 -8.826 3.073 1.00 0.00 N ATOM 0 H LYS B 8 7.693 -10.144 -2.450 1.00 0.00 H new ATOM 0 HA LYS B 8 7.881 -7.730 -0.883 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.775 -9.236 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.237 -7.811 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.082 -10.218 -0.396 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.770 -10.202 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.220 -8.227 0.481 1.00 0.00 H new ATOM 0 HD3 LYS B 8 9.513 -7.942 0.752 1.00 0.00 H new ATOM 0 HE2 LYS B 8 9.335 -10.069 2.031 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.023 -10.419 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 10.722 -9.453 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.638 -8.408 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 10.002 -8.069 3.233 1.00 0.00 H new ATOM 979 N GLY B 9 6.640 -6.580 -2.960 1.00 0.00 N ATOM 980 CA GLY B 9 6.286 -5.486 -3.857 1.00 0.00 C ATOM 981 C GLY B 9 4.857 -4.970 -3.782 1.00 0.00 C ATOM 982 O GLY B 9 4.622 -3.770 -3.900 1.00 0.00 O ATOM 0 H GLY B 9 5.861 -6.914 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.959 -4.652 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.476 -5.811 -4.880 1.00 0.00 H new ATOM 986 N GLU B 10 3.904 -5.848 -3.499 1.00 0.00 N ATOM 987 CA GLU B 10 2.505 -5.483 -3.237 1.00 0.00 C ATOM 988 C GLU B 10 2.363 -4.476 -2.079 1.00 0.00 C ATOM 989 O GLU B 10 1.541 -3.561 -2.145 1.00 0.00 O ATOM 990 CB GLU B 10 1.753 -6.779 -2.911 1.00 0.00 C ATOM 991 CG GLU B 10 1.536 -7.733 -4.095 1.00 0.00 C ATOM 992 CD GLU B 10 0.131 -7.581 -4.650 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.262 -6.712 -5.446 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.875 -8.220 -4.288 1.00 0.00 O ATOM 0 H GLU B 10 4.077 -6.852 -3.442 1.00 0.00 H new ATOM 0 HA GLU B 10 2.091 -4.990 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.302 -7.311 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.780 -6.519 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.267 -7.524 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.697 -8.762 -3.775 1.00 0.00 H new ATOM 1001 N LEU B 11 3.214 -4.580 -1.050 1.00 0.00 N ATOM 1002 CA LEU B 11 3.282 -3.672 0.091 1.00 0.00 C ATOM 1003 C LEU B 11 3.679 -2.241 -0.301 1.00 0.00 C ATOM 1004 O LEU B 11 3.191 -1.274 0.284 1.00 0.00 O ATOM 1005 CB LEU B 11 4.131 -4.367 1.174 1.00 0.00 C ATOM 1006 CG LEU B 11 5.590 -3.906 1.241 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.754 -2.687 2.155 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.499 -5.024 1.742 1.00 0.00 C ATOM 0 H LEU B 11 3.900 -5.332 -0.992 1.00 0.00 H new ATOM 0 HA LEU B 11 2.298 -3.490 0.523 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.666 -4.197 2.145 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.112 -5.442 0.996 1.00 0.00 H new ATOM 0 HG LEU B 11 5.878 -3.631 0.226 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.802 -2.388 2.178 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.150 -1.863 1.775 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.427 -2.942 3.163 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.528 -4.667 1.779 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.185 -5.329 2.740 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.435 -5.876 1.065 1.00 0.00 H new ATOM 1020 N GLN B 12 4.474 -2.106 -1.362 1.00 0.00 N ATOM 1021 CA GLN B 12 4.854 -0.834 -1.962 1.00 0.00 C ATOM 1022 C GLN B 12 3.640 -0.109 -2.580 1.00 0.00 C ATOM 1023 O GLN B 12 3.662 1.110 -2.744 1.00 0.00 O ATOM 1024 CB GLN B 12 5.954 -1.076 -3.016 1.00 0.00 C ATOM 1025 CG GLN B 12 7.038 0.014 -2.998 1.00 0.00 C ATOM 1026 CD GLN B 12 7.658 0.233 -4.378 1.00 0.00 C ATOM 1027 OE1 GLN B 12 7.389 1.215 -5.057 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.495 -0.662 -4.861 1.00 0.00 N ATOM 0 H GLN B 12 4.883 -2.908 -1.841 1.00 0.00 H new ATOM 0 HA GLN B 12 5.243 -0.182 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.417 -2.047 -2.837 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.501 -1.117 -4.006 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.605 0.949 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.819 -0.264 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.732 -1.488 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.906 -0.530 -5.785 1.00 0.00 H new ATOM 1037 N GLY B 13 2.563 -0.852 -2.877 1.00 0.00 N ATOM 1038 CA GLY B 13 1.293 -0.331 -3.379 1.00 0.00 C ATOM 1039 C GLY B 13 0.347 0.075 -2.250 1.00 0.00 C ATOM 1040 O GLY B 13 -0.268 1.133 -2.342 1.00 0.00 O ATOM 0 H GLY B 13 2.557 -1.866 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.484 0.531 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.812 -1.087 -3.999 1.00 0.00 H new ATOM 1044 N ILE B 14 0.290 -0.688 -1.145 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.560 -0.379 0.034 1.00 0.00 C ATOM 1046 C ILE B 14 -0.348 1.069 0.502 1.00 0.00 C ATOM 1047 O ILE B 14 -1.301 1.837 0.655 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.277 -1.340 1.215 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.392 -2.827 0.840 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.203 -1.039 2.409 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -1.767 -3.252 0.344 1.00 0.00 C ATOM 0 H ILE B 14 0.834 -1.544 -1.037 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.594 -0.511 -0.283 1.00 0.00 H new ATOM 0 HB ILE B 14 0.761 -1.157 1.495 1.00 0.00 H new ATOM 0 HG12 ILE B 14 0.343 -3.051 0.067 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.133 -3.429 1.711 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.982 -1.729 3.224 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -1.041 -0.015 2.746 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.242 -1.160 2.103 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.754 -4.315 0.103 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -2.508 -3.065 1.121 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -2.024 -2.681 -0.548 1.00 0.00 H new ATOM 1063 N LYS B 15 0.923 1.451 0.685 1.00 0.00 N ATOM 1064 CA LYS B 15 1.322 2.771 1.193 1.00 0.00 C ATOM 1065 C LYS B 15 1.184 3.892 0.156 1.00 0.00 C ATOM 1066 O LYS B 15 1.012 5.050 0.530 1.00 0.00 O ATOM 1067 CB LYS B 15 2.745 2.699 1.779 1.00 0.00 C ATOM 1068 CG LYS B 15 2.775 1.891 3.096 1.00 0.00 C ATOM 1069 CD LYS B 15 3.861 0.805 3.122 1.00 0.00 C ATOM 1070 CE LYS B 15 5.293 1.323 3.318 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.606 1.583 4.751 1.00 0.00 N ATOM 0 H LYS B 15 1.716 0.842 0.481 1.00 0.00 H new ATOM 0 HA LYS B 15 0.625 3.036 1.988 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.416 2.239 1.053 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.116 3.708 1.961 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.936 2.575 3.929 1.00 0.00 H new ATOM 0 HG3 LYS B 15 1.802 1.425 3.250 1.00 0.00 H new ATOM 0 HD2 LYS B 15 3.632 0.103 3.924 1.00 0.00 H new ATOM 0 HD3 LYS B 15 3.818 0.247 2.187 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.999 0.594 2.920 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.427 2.241 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.582 1.931 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 4.950 2.298 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.504 0.702 5.294 1.00 0.00 H new ATOM 1085 N GLN B 16 1.201 3.558 -1.135 1.00 0.00 N ATOM 1086 CA GLN B 16 0.966 4.501 -2.227 1.00 0.00 C ATOM 1087 C GLN B 16 -0.520 4.794 -2.421 1.00 0.00 C ATOM 1088 O GLN B 16 -0.893 5.946 -2.618 1.00 0.00 O ATOM 1089 CB GLN B 16 1.563 3.943 -3.526 1.00 0.00 C ATOM 1090 CG GLN B 16 3.024 4.348 -3.778 1.00 0.00 C ATOM 1091 CD GLN B 16 3.141 5.634 -4.599 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.553 5.632 -5.751 1.00 0.00 O ATOM 1093 NE2 GLN B 16 2.779 6.781 -4.063 1.00 0.00 N ATOM 0 H GLN B 16 1.382 2.607 -1.456 1.00 0.00 H new ATOM 0 HA GLN B 16 1.453 5.441 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.499 2.855 -3.503 1.00 0.00 H new ATOM 0 HB3 GLN B 16 0.955 4.281 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.530 4.483 -2.822 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.537 3.540 -4.299 1.00 0.00 H new ATOM 0 HE21 GLN B 16 2.432 6.809 -3.104 1.00 0.00 H new ATOM 0 HE22 GLN B 16 2.845 7.641 -4.607 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.379 3.783 -2.312 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.824 3.937 -2.465 1.00 0.00 C ATOM 1104 C TYR B 17 -3.445 4.866 -1.428 1.00 0.00 C ATOM 1105 O TYR B 17 -4.314 5.678 -1.752 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.493 2.568 -2.373 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.476 1.804 -3.677 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.933 2.406 -4.866 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.982 0.491 -3.704 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.860 1.712 -6.084 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.881 -0.199 -4.923 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.312 0.411 -6.119 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.282 -0.297 -7.280 1.00 0.00 O ATOM 0 H TYR B 17 -1.089 2.825 -2.113 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.990 4.391 -3.442 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.991 1.977 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.526 2.697 -2.049 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.341 3.406 -4.840 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.679 0.010 -2.786 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -4.222 2.172 -6.992 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.473 -1.199 -4.944 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.869 -1.171 -7.119 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.969 4.771 -0.185 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.425 5.648 0.899 1.00 0.00 C ATOM 1125 C ARG B 18 -3.025 7.119 0.684 1.00 0.00 C ATOM 1126 O ARG B 18 -3.745 8.023 1.104 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.949 5.076 2.244 1.00 0.00 C ATOM 1128 CG ARG B 18 -4.145 4.677 3.119 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.675 3.967 4.397 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.639 4.137 5.502 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.770 5.205 6.273 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -4.040 6.274 6.107 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -5.648 5.225 7.233 1.00 0.00 N ATOM 0 H ARG B 18 -2.263 4.091 0.099 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.515 5.666 0.903 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.313 4.208 2.071 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.342 5.816 2.765 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.721 5.564 3.382 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.809 4.021 2.557 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.538 2.905 4.194 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.704 4.362 4.697 1.00 0.00 H new ATOM 0 HE ARG B 18 -5.266 3.355 5.690 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.342 6.304 5.364 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -4.168 7.079 6.720 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -6.243 4.413 7.397 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -5.741 6.053 7.822 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.920 7.358 -0.025 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.462 8.678 -0.492 1.00 0.00 C ATOM 1149 C GLU B 19 -2.204 9.158 -1.761 1.00 0.00 C ATOM 1150 O GLU B 19 -2.432 10.352 -1.950 1.00 0.00 O ATOM 1151 CB GLU B 19 0.046 8.581 -0.792 1.00 0.00 C ATOM 1152 CG GLU B 19 0.847 9.810 -0.349 1.00 0.00 C ATOM 1153 CD GLU B 19 1.041 9.842 1.181 1.00 0.00 C ATOM 1154 OE1 GLU B 19 1.926 9.119 1.703 1.00 0.00 O ATOM 1155 OE2 GLU B 19 0.322 10.603 1.874 1.00 0.00 O ATOM 0 H GLU B 19 -1.289 6.607 -0.304 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.673 9.406 0.292 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.449 7.698 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.185 8.436 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.820 9.806 -0.839 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.332 10.715 -0.670 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.596 8.235 -2.640 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.239 8.494 -3.927 1.00 0.00 C ATOM 1164 C ALA B 20 -4.681 9.017 -3.802 1.00 0.00 C ATOM 1165 O ALA B 20 -5.112 9.823 -4.628 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.204 7.197 -4.741 1.00 0.00 C ATOM 0 H ALA B 20 -2.467 7.239 -2.464 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.687 9.290 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.678 7.362 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.169 6.890 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.740 6.415 -4.203 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.422 8.618 -2.759 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.751 9.173 -2.452 1.00 0.00 C ATOM 1174 C LEU B 21 -6.705 10.682 -2.184 1.00 0.00 C ATOM 1175 O LEU B 21 -7.703 11.366 -2.384 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.403 8.414 -1.288 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.903 8.727 -1.086 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.740 7.451 -1.100 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.160 9.427 0.249 1.00 0.00 C ATOM 0 H LEU B 21 -5.117 7.900 -2.102 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.371 9.035 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.287 7.343 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.867 8.652 -0.369 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.189 9.380 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.791 7.703 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.617 6.945 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.412 6.792 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.226 9.630 0.354 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.831 8.785 1.066 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.607 10.366 0.280 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.557 11.231 -1.784 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.427 12.681 -1.584 1.00 0.00 C ATOM 1193 C GLU B 22 -5.456 13.499 -2.888 1.00 0.00 C ATOM 1194 O GLU B 22 -5.841 14.670 -2.875 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.161 12.994 -0.779 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.487 13.546 0.615 1.00 0.00 C ATOM 1197 CD GLU B 22 -5.079 14.971 0.554 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -6.301 15.121 0.293 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -4.324 15.949 0.780 1.00 0.00 O ATOM 0 H GLU B 22 -4.707 10.700 -1.592 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.309 12.989 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.562 12.089 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.555 13.719 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.194 12.881 1.111 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -3.581 13.556 1.221 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.101 12.886 -4.020 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.232 13.466 -5.359 1.00 0.00 C ATOM 1208 C TYR B 23 -6.507 13.019 -6.082 1.00 0.00 C ATOM 1209 O TYR B 23 -7.247 13.856 -6.604 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.993 13.079 -6.172 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.791 13.926 -5.818 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.747 15.262 -6.260 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.761 13.412 -5.007 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.679 16.094 -5.884 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.687 14.241 -4.630 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.648 15.588 -5.064 1.00 0.00 C ATOM 1217 OH TYR B 23 0.374 16.407 -4.690 1.00 0.00 O ATOM 0 H TYR B 23 -4.704 11.947 -4.031 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.308 14.549 -5.257 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.759 12.029 -5.998 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.210 13.185 -7.235 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.535 15.648 -6.889 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.795 12.385 -4.675 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.647 17.119 -6.222 1.00 0.00 H new ATOM 0 HE2 TYR B 23 0.106 13.850 -4.010 1.00 0.00 H new ATOM 0 HH TYR B 23 1.002 15.909 -4.126 1.00 0.00 H new ATOM 1227 N THR B 24 -6.788 11.716 -6.104 1.00 0.00 N ATOM 1228 CA THR B 24 -7.958 11.141 -6.792 1.00 0.00 C ATOM 1229 C THR B 24 -9.285 11.492 -6.095 1.00 0.00 C ATOM 1230 O THR B 24 -10.238 11.935 -6.738 1.00 0.00 O ATOM 1231 CB THR B 24 -7.803 9.616 -6.925 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.644 9.067 -5.649 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.629 9.173 -7.803 1.00 0.00 C ATOM 0 H THR B 24 -6.207 11.017 -5.641 1.00 0.00 H new ATOM 0 HA THR B 24 -7.997 11.586 -7.786 1.00 0.00 H new ATOM 0 HB THR B 24 -8.706 9.258 -7.418 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.721 9.200 -5.348 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.594 8.084 -7.842 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.759 9.568 -8.811 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.697 9.551 -7.383 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.325 11.391 -4.763 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.502 11.556 -3.886 1.00 0.00 C ATOM 1243 C HIS B 25 -11.654 10.537 -4.125 1.00 0.00 C ATOM 1244 O HIS B 25 -12.813 10.831 -3.824 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.930 13.043 -3.814 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.210 13.778 -2.709 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.671 13.944 -1.414 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -8.941 14.285 -2.763 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.695 14.532 -0.693 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.630 14.745 -1.492 1.00 0.00 N ATOM 0 H HIS B 25 -8.484 11.178 -4.227 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.187 11.278 -2.880 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.724 13.528 -4.768 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.006 13.105 -3.651 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.301 14.321 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.756 14.790 0.354 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.747 15.171 -1.210 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.374 9.340 -4.665 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.397 8.408 -5.194 1.00 0.00 C ATOM 1261 C ASN B 26 -12.603 7.127 -4.353 1.00 0.00 C ATOM 1262 O ASN B 26 -11.644 6.628 -3.761 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.017 8.055 -6.645 1.00 0.00 C ATOM 1264 CG ASN B 26 -11.852 9.282 -7.518 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -10.803 9.548 -8.069 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.869 10.080 -7.686 1.00 0.00 N ATOM 0 H ASN B 26 -10.422 8.983 -4.750 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.358 8.920 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.088 7.486 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.786 7.411 -7.072 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.775 10.910 -8.272 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.759 9.874 -7.232 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.814 6.520 -4.364 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.107 5.279 -3.628 1.00 0.00 C ATOM 1275 C PRO B 27 -13.385 4.049 -4.200 1.00 0.00 C ATOM 1276 O PRO B 27 -13.282 3.017 -3.537 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.629 5.105 -3.713 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.989 5.782 -5.033 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.010 6.954 -5.086 1.00 0.00 C ATOM 0 HA PRO B 27 -13.749 5.358 -2.601 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.914 4.053 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.135 5.575 -2.869 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.862 5.109 -5.881 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.026 6.119 -5.046 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.769 7.214 -6.117 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.442 7.843 -4.626 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.870 4.144 -5.428 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.156 3.041 -6.087 1.00 0.00 C ATOM 1289 C VAL B 28 -10.822 2.731 -5.411 1.00 0.00 C ATOM 1290 O VAL B 28 -10.499 1.561 -5.211 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.994 3.334 -7.588 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -10.743 4.153 -7.916 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -11.959 2.034 -8.369 1.00 0.00 C ATOM 0 H VAL B 28 -12.935 4.988 -5.997 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.759 2.139 -5.983 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.856 3.935 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -10.691 4.323 -8.991 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.790 5.111 -7.399 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -9.856 3.608 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -11.844 2.251 -9.431 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -11.119 1.428 -8.029 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.889 1.488 -8.209 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.072 3.766 -5.001 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.804 3.636 -4.294 1.00 0.00 C ATOM 1305 C LEU B 29 -8.981 2.781 -3.034 1.00 0.00 C ATOM 1306 O LEU B 29 -8.139 1.928 -2.755 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.312 5.056 -3.960 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.538 5.820 -5.053 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -6.157 5.220 -5.246 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -8.194 5.870 -6.429 1.00 0.00 C ATOM 0 H LEU B 29 -10.344 4.736 -5.159 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.062 3.130 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.179 5.655 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.673 4.991 -3.079 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.511 6.841 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -5.626 5.772 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -5.600 5.280 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -6.252 4.176 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -7.560 6.432 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -8.326 4.856 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -9.166 6.358 -6.351 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.114 2.943 -2.336 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.473 2.118 -1.188 1.00 0.00 C ATOM 1324 C ALA B 30 -10.601 0.630 -1.560 1.00 0.00 C ATOM 1325 O ALA B 30 -9.933 -0.193 -0.947 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.756 2.655 -0.540 1.00 0.00 C ATOM 0 H ALA B 30 -10.808 3.657 -2.559 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.664 2.179 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.018 2.034 0.317 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.595 3.681 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.568 2.632 -1.267 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.392 0.260 -2.578 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.593 -1.148 -2.984 1.00 0.00 C ATOM 1334 C LYS B 31 -10.342 -1.813 -3.553 1.00 0.00 C ATOM 1335 O LYS B 31 -10.100 -2.988 -3.283 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.767 -1.231 -3.979 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.504 -2.573 -3.867 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.701 -2.641 -4.829 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.647 -3.794 -4.463 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.580 -3.421 -3.364 1.00 0.00 N ATOM 0 H LYS B 31 -11.914 0.927 -3.147 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.828 -1.710 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -13.464 -0.415 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.394 -1.103 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -12.814 -3.388 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.850 -2.715 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -15.246 -1.698 -4.801 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.343 -2.772 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.221 -4.086 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -15.061 -4.663 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.201 -4.227 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.034 -3.167 -2.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.158 -2.608 -3.660 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.515 -1.050 -4.266 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.209 -1.510 -4.750 1.00 0.00 C ATOM 1356 C ILE B 32 -7.329 -1.836 -3.547 1.00 0.00 C ATOM 1357 O ILE B 32 -6.990 -3.000 -3.339 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.553 -0.469 -5.675 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.344 -0.217 -6.974 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.173 -0.996 -6.080 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.973 1.135 -7.594 1.00 0.00 C ATOM 0 H ILE B 32 -9.731 -0.088 -4.527 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.340 -2.410 -5.350 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.511 0.469 -5.121 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.141 -1.016 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.413 -0.242 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.687 -0.275 -6.737 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.564 -1.143 -5.188 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.285 -1.946 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.546 1.285 -8.509 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.200 1.934 -6.888 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.908 1.149 -7.827 1.00 0.00 H new ATOM 1373 N LEU B 33 -7.013 -0.834 -2.719 1.00 0.00 N ATOM 1374 CA LEU B 33 -6.117 -1.012 -1.576 1.00 0.00 C ATOM 1375 C LEU B 33 -6.659 -2.013 -0.552 1.00 0.00 C ATOM 1376 O LEU B 33 -5.880 -2.724 0.078 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.704 0.356 -1.007 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.621 1.023 0.032 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.404 0.499 1.460 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -6.422 2.540 0.092 1.00 0.00 C ATOM 0 H LEU B 33 -7.369 0.116 -2.823 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.195 -1.484 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.718 0.244 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.595 1.045 -1.845 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.626 0.773 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -7.082 1.011 2.142 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.602 -0.573 1.488 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.374 0.686 1.764 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -7.091 2.965 0.840 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -5.389 2.761 0.362 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.644 2.975 -0.883 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.983 -2.115 -0.431 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.643 -3.104 0.421 1.00 0.00 C ATOM 1394 C GLU B 34 -8.306 -4.531 -0.022 1.00 0.00 C ATOM 1395 O GLU B 34 -8.026 -5.381 0.823 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.165 -2.886 0.441 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.920 -3.923 1.287 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.445 -3.691 1.267 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.910 -2.572 1.594 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.194 -4.647 0.952 1.00 0.00 O ATOM 0 H GLU B 34 -8.634 -1.507 -0.927 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.267 -2.970 1.435 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.377 -1.889 0.828 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.542 -2.918 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.701 -4.923 0.913 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.561 -3.881 2.315 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.298 -4.809 -1.330 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.949 -6.151 -1.791 1.00 0.00 C ATOM 1409 C ASP B 35 -6.461 -6.465 -1.640 1.00 0.00 C ATOM 1410 O ASP B 35 -6.096 -7.523 -1.125 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.328 -6.332 -3.252 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.811 -6.169 -3.608 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.692 -6.471 -2.763 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -10.069 -5.791 -4.776 1.00 0.00 O ATOM 0 H ASP B 35 -8.523 -4.142 -2.068 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.511 -6.838 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.756 -5.616 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -8.011 -7.327 -3.564 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.596 -5.525 -2.022 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.148 -5.644 -1.854 1.00 0.00 C ATOM 1421 C GLU B 36 -3.750 -5.934 -0.406 1.00 0.00 C ATOM 1422 O GLU B 36 -2.753 -6.615 -0.177 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.477 -4.329 -2.277 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.764 -3.821 -3.687 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.163 -4.675 -4.786 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.708 -5.826 -4.572 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.182 -4.262 -5.968 1.00 0.00 O ATOM 0 H GLU B 36 -5.884 -4.651 -2.461 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.821 -6.478 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.777 -3.554 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.399 -4.452 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.843 -3.770 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -3.381 -2.805 -3.781 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.541 -5.470 0.567 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.252 -5.653 1.998 1.00 0.00 C ATOM 1436 C GLU B 37 -4.272 -7.143 2.374 1.00 0.00 C ATOM 1437 O GLU B 37 -3.531 -7.592 3.252 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.268 -4.840 2.822 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.857 -4.561 4.275 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.058 -5.744 5.248 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.138 -6.383 5.233 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -4.161 -5.991 6.093 1.00 0.00 O ATOM 0 H GLU B 37 -5.403 -4.955 0.386 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.250 -5.287 2.221 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.439 -3.888 2.320 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.218 -5.374 2.826 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -3.806 -4.272 4.291 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -5.428 -3.708 4.641 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.084 -7.915 1.644 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.252 -9.362 1.768 1.00 0.00 C ATOM 1451 C LYS B 38 -4.290 -10.110 0.868 1.00 0.00 C ATOM 1452 O LYS B 38 -3.711 -11.090 1.316 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.695 -9.747 1.406 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.718 -8.904 2.173 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.167 -9.320 1.909 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.698 -8.715 0.602 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.048 -8.116 0.775 1.00 0.00 N ATOM 0 H LYS B 38 -5.674 -7.522 0.910 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.039 -9.639 2.800 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.848 -9.618 0.335 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.856 -10.802 1.626 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.514 -8.981 3.241 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.593 -7.856 1.900 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.231 -10.407 1.860 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -9.795 -9.001 2.740 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.005 -7.952 0.248 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.740 -9.488 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.370 -7.719 -0.131 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.716 -8.849 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.004 -7.360 1.488 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.085 -9.643 -0.366 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.335 -10.314 -1.414 1.00 0.00 C ATOM 1473 C HIS B 39 -1.968 -10.857 -0.981 1.00 0.00 C ATOM 1474 O HIS B 39 -1.681 -12.018 -1.260 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.173 -9.312 -2.546 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.341 -9.069 -3.455 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.233 -8.332 -4.635 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.622 -9.516 -3.312 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.462 -8.348 -5.179 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.311 -9.060 -4.413 1.00 0.00 N ATOM 0 H HIS B 39 -4.458 -8.743 -0.669 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.893 -11.201 -1.714 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.890 -8.356 -2.105 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.335 -9.639 -3.162 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.399 -7.878 -5.006 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.016 -10.108 -2.499 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.732 -7.858 -6.103 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.296 -9.232 -4.614 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.139 -10.073 -0.278 1.00 0.00 N ATOM 1489 CA ILE B 40 0.180 -10.555 0.183 1.00 0.00 C ATOM 1490 C ILE B 40 0.043 -11.764 1.119 1.00 0.00 C ATOM 1491 O ILE B 40 0.674 -12.798 0.909 1.00 0.00 O ATOM 1492 CB ILE B 40 0.990 -9.439 0.881 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.983 -8.128 0.074 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.452 -9.879 1.077 1.00 0.00 C ATOM 1495 CD1 ILE B 40 0.241 -6.997 0.788 1.00 0.00 C ATOM 0 H ILE B 40 -1.351 -9.110 -0.016 1.00 0.00 H new ATOM 0 HA ILE B 40 0.725 -10.865 -0.709 1.00 0.00 H new ATOM 0 HB ILE B 40 0.512 -9.262 1.844 1.00 0.00 H new ATOM 0 HG12 ILE B 40 2.011 -7.819 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.518 -8.306 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE B 40 3.009 -9.082 1.570 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.482 -10.777 1.693 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.902 -10.090 0.107 1.00 0.00 H new ATOM 0 HD11 ILE B 40 0.269 -6.098 0.172 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -0.795 -7.290 0.955 1.00 0.00 H new ATOM 0 HD13 ILE B 40 0.720 -6.795 1.746 1.00 0.00 H new ATOM 1507 N GLU B 41 -0.817 -11.670 2.135 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.056 -12.784 3.059 1.00 0.00 C ATOM 1509 C GLU B 41 -1.770 -13.960 2.370 1.00 0.00 C ATOM 1510 O GLU B 41 -1.440 -15.121 2.622 1.00 0.00 O ATOM 1511 CB GLU B 41 -1.849 -12.292 4.278 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.744 -13.277 5.450 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.834 -13.012 6.504 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -3.996 -13.440 6.299 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.536 -12.391 7.553 1.00 0.00 O ATOM 0 H GLU B 41 -1.362 -10.832 2.340 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.089 -13.157 3.395 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -1.475 -11.316 4.587 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.896 -12.161 4.004 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.835 -14.298 5.079 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.760 -13.192 5.912 1.00 0.00 H new ATOM 1522 N TRP B 42 -2.691 -13.666 1.447 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.363 -14.650 0.599 1.00 0.00 C ATOM 1524 C TRP B 42 -2.360 -15.550 -0.145 1.00 0.00 C ATOM 1525 O TRP B 42 -2.515 -16.769 -0.107 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.345 -13.907 -0.328 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.702 -13.595 0.227 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.136 -13.827 1.488 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -6.835 -12.987 -0.470 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.462 -13.468 1.600 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -7.948 -12.942 0.421 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.031 -12.461 -1.765 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.195 -12.424 0.041 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.265 -11.900 -2.145 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.350 -11.893 -1.251 1.00 0.00 C ATOM 0 H TRP B 42 -2.997 -12.710 1.266 1.00 0.00 H new ATOM 0 HA TRP B 42 -3.939 -15.343 1.213 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -3.880 -12.969 -0.632 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.477 -14.505 -1.230 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.533 -14.233 2.287 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.016 -13.578 2.450 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.220 -12.489 -2.477 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.025 -12.433 0.732 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.379 -11.472 -3.130 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.300 -11.481 -1.556 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.281 -15.004 -0.723 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.211 -15.809 -1.342 1.00 0.00 C ATOM 1548 C LEU B 43 0.417 -16.807 -0.373 1.00 0.00 C ATOM 1549 O LEU B 43 0.608 -17.974 -0.709 1.00 0.00 O ATOM 1550 CB LEU B 43 0.918 -14.915 -1.870 1.00 0.00 C ATOM 1551 CG LEU B 43 0.482 -13.998 -3.001 1.00 0.00 C ATOM 1552 CD1 LEU B 43 1.556 -12.951 -3.270 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.224 -14.780 -4.282 1.00 0.00 C ATOM 0 H LEU B 43 -1.123 -13.998 -0.776 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.694 -16.352 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.306 -14.310 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.737 -15.544 -2.217 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.445 -13.514 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU B 43 1.234 -12.299 -4.082 1.00 0.00 H new ATOM 0 HD12 LEU B 43 1.718 -12.357 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.485 -13.447 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.086 -14.094 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.137 -15.293 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.564 -15.513 -4.108 1.00 0.00 H new ATOM 1565 N GLU B 44 0.743 -16.348 0.833 1.00 0.00 N ATOM 1566 CA GLU B 44 1.369 -17.214 1.839 1.00 0.00 C ATOM 1567 C GLU B 44 0.445 -18.365 2.283 1.00 0.00 C ATOM 1568 O GLU B 44 0.922 -19.474 2.514 1.00 0.00 O ATOM 1569 CB GLU B 44 1.864 -16.413 3.055 1.00 0.00 C ATOM 1570 CG GLU B 44 3.237 -16.927 3.526 1.00 0.00 C ATOM 1571 CD GLU B 44 3.365 -16.924 5.060 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.778 -15.890 5.642 1.00 0.00 O ATOM 1573 OE2 GLU B 44 3.072 -17.965 5.699 1.00 0.00 O ATOM 0 H GLU B 44 0.587 -15.388 1.140 1.00 0.00 H new ATOM 0 HA GLU B 44 2.236 -17.663 1.355 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.935 -15.357 2.796 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.142 -16.494 3.868 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.392 -17.939 3.152 1.00 0.00 H new ATOM 0 HG3 GLU B 44 4.023 -16.305 3.097 1.00 0.00 H new ATOM 1580 N THR B 45 -0.874 -18.146 2.331 1.00 0.00 N ATOM 1581 CA THR B 45 -1.891 -19.181 2.621 1.00 0.00 C ATOM 1582 C THR B 45 -1.889 -20.343 1.610 1.00 0.00 C ATOM 1583 O THR B 45 -2.310 -21.451 1.946 1.00 0.00 O ATOM 1584 CB THR B 45 -3.287 -18.530 2.712 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.274 -17.571 3.749 1.00 0.00 O ATOM 1586 CG2 THR B 45 -4.435 -19.491 3.033 1.00 0.00 C ATOM 0 H THR B 45 -1.280 -17.225 2.166 1.00 0.00 H new ATOM 0 HA THR B 45 -1.629 -19.625 3.581 1.00 0.00 H new ATOM 0 HB THR B 45 -3.471 -18.115 1.721 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.734 -16.801 3.475 1.00 0.00 H new ATOM 0 HG21 THR B 45 -5.373 -18.937 3.075 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.499 -20.254 2.257 1.00 0.00 H new ATOM 0 HG23 THR B 45 -4.252 -19.968 3.996 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.387 -20.133 0.386 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.315 -21.162 -0.668 1.00 0.00 C ATOM 1596 C ILE B 46 -0.302 -22.275 -0.332 1.00 0.00 C ATOM 1597 O ILE B 46 -0.593 -23.451 -0.558 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.973 -20.511 -2.030 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.009 -19.433 -2.429 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.901 -21.573 -3.131 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.611 -18.578 -3.641 1.00 0.00 C ATOM 0 H ILE B 46 -1.013 -19.231 0.092 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.297 -21.632 -0.730 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.001 -20.030 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.959 -19.923 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.175 -18.775 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.660 -21.096 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.129 -22.301 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.863 -22.078 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.396 -17.851 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.679 -18.055 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -1.475 -19.221 -4.511 1.00 0.00 H new ATOM 1613 N LEU B 47 0.876 -21.917 0.206 1.00 0.00 N ATOM 1614 CA LEU B 47 2.027 -22.811 0.451 1.00 0.00 C ATOM 1615 C LEU B 47 2.319 -23.812 -0.700 1.00 0.00 C ATOM 1616 O LEU B 47 2.487 -25.015 -0.478 1.00 0.00 O ATOM 1617 CB LEU B 47 1.889 -23.477 1.840 1.00 0.00 C ATOM 1618 CG LEU B 47 2.169 -22.506 3.007 1.00 0.00 C ATOM 1619 CD1 LEU B 47 0.972 -22.401 3.951 1.00 0.00 C ATOM 1620 CD2 LEU B 47 3.385 -22.953 3.821 1.00 0.00 C ATOM 0 H LEU B 47 1.063 -20.957 0.495 1.00 0.00 H new ATOM 0 HA LEU B 47 2.923 -22.191 0.463 1.00 0.00 H new ATOM 0 HB2 LEU B 47 0.882 -23.881 1.945 1.00 0.00 H new ATOM 0 HB3 LEU B 47 2.578 -24.319 1.903 1.00 0.00 H new ATOM 0 HG LEU B 47 2.363 -21.532 2.557 1.00 0.00 H new ATOM 0 HD11 LEU B 47 1.206 -21.709 4.760 1.00 0.00 H new ATOM 0 HD12 LEU B 47 0.105 -22.036 3.400 1.00 0.00 H new ATOM 0 HD13 LEU B 47 0.750 -23.384 4.367 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.556 -22.249 4.635 1.00 0.00 H new ATOM 0 HD22 LEU B 47 3.203 -23.946 4.232 1.00 0.00 H new ATOM 0 HD23 LEU B 47 4.263 -22.983 3.176 1.00 0.00 H new ATOM 1632 N GLY B 48 2.374 -23.317 -1.942 1.00 0.00 N ATOM 1633 CA GLY B 48 2.682 -24.127 -3.132 1.00 0.00 C ATOM 1634 C GLY B 48 4.181 -24.183 -3.458 1.00 0.00 C ATOM 1635 O GLY B 48 4.944 -23.264 -3.156 1.00 0.00 O ATOM 0 H GLY B 48 2.205 -22.334 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY B 48 2.313 -25.141 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY B 48 2.146 -23.719 -3.989 1.00 0.00 H new HETATM 1639 N NH2 B 49 4.631 -25.258 -4.091 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.240 -4.537 -7.660 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.967 -7.231 -5.235 1.00 0.00 ZN