USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 TYR OH : rot 180:sc= 0 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=-0.46) USER MOD Single : A 17 TYR OH : rot -171:sc= -0.0564 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -69:sc= 0.752 USER MOD Single : A 25 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 26 ASN : amide:sc= 1.16 K(o=1.2,f=-1) 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= 0.673 K(o=0.67,f=-7.2!) USER MOD Single : A 45 THR OG1 : rot 73:sc= 0.0679 USER MOD Single : B 1 ASP N :NH3+ -174:sc=-0.000218 (180deg=-0.044) 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=-0.02) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot -157:sc= 1.23 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= 1.09 K(o=1.1,f=-0.66) 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= 0.686 K(o=0.69,f=-8.5!) USER MOD Single : B 45 THR OG1 : rot 75:sc= 0.384 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 3.132 9.753 -9.727 1.00 0.00 N ATOM 20 CA TYR A 2 2.749 8.484 -9.078 1.00 0.00 C ATOM 21 C TYR A 2 1.903 7.584 -9.971 1.00 0.00 C ATOM 22 O TYR A 2 2.001 6.364 -9.897 1.00 0.00 O ATOM 23 CB TYR A 2 1.909 8.718 -7.813 1.00 0.00 C ATOM 24 CG TYR A 2 2.341 9.870 -6.942 1.00 0.00 C ATOM 25 CD1 TYR A 2 3.643 9.905 -6.416 1.00 0.00 C ATOM 26 CD2 TYR A 2 1.448 10.935 -6.717 1.00 0.00 C ATOM 27 CE1 TYR A 2 4.065 11.029 -5.685 1.00 0.00 C ATOM 28 CE2 TYR A 2 1.867 12.058 -5.988 1.00 0.00 C ATOM 29 CZ TYR A 2 3.181 12.113 -5.471 1.00 0.00 C ATOM 30 OH TYR A 2 3.596 13.209 -4.777 1.00 0.00 O ATOM 0 HA TYR A 2 3.702 8.007 -8.849 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.874 8.882 -8.112 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.927 7.808 -7.214 1.00 0.00 H new ATOM 0 HD1 TYR A 2 4.315 9.074 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.441 10.887 -7.105 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.068 11.065 -5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.186 12.880 -5.822 1.00 0.00 H new ATOM 0 HH TYR A 2 2.864 13.859 -4.724 1.00 0.00 H new ATOM 40 N LEU A 3 1.041 8.197 -10.784 1.00 0.00 N ATOM 41 CA LEU A 3 -0.020 7.512 -11.520 1.00 0.00 C ATOM 42 C LEU A 3 0.572 6.494 -12.503 1.00 0.00 C ATOM 43 O LEU A 3 0.137 5.343 -12.559 1.00 0.00 O ATOM 44 CB LEU A 3 -0.930 8.529 -12.230 1.00 0.00 C ATOM 45 CG LEU A 3 -1.606 9.525 -11.270 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.574 10.407 -12.062 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.430 8.848 -10.166 1.00 0.00 C ATOM 0 H LEU A 3 1.062 9.203 -10.952 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.636 6.960 -10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.341 9.084 -12.960 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.700 7.991 -12.784 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.799 10.090 -10.804 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.056 11.115 -11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.024 10.953 -12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.332 9.782 -12.535 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.877 9.609 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.218 8.245 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.781 8.208 -9.568 1.00 0.00 H new ATOM 59 N ARG A 4 1.633 6.899 -13.212 1.00 0.00 N ATOM 60 CA ARG A 4 2.409 6.027 -14.101 1.00 0.00 C ATOM 61 C ARG A 4 3.094 4.898 -13.332 1.00 0.00 C ATOM 62 O ARG A 4 3.025 3.749 -13.763 1.00 0.00 O ATOM 63 CB ARG A 4 3.421 6.881 -14.884 1.00 0.00 C ATOM 64 CG ARG A 4 3.935 6.147 -16.131 1.00 0.00 C ATOM 65 CD ARG A 4 4.913 7.027 -16.917 1.00 0.00 C ATOM 66 NE ARG A 4 5.104 6.527 -18.293 1.00 0.00 N ATOM 67 CZ ARG A 4 5.942 7.001 -19.197 1.00 0.00 C ATOM 68 NH1 ARG A 4 6.797 7.945 -18.923 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.933 6.534 -20.413 1.00 0.00 N ATOM 0 H ARG A 4 1.982 7.857 -13.183 1.00 0.00 H new ATOM 0 HA ARG A 4 1.731 5.545 -14.806 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.953 7.820 -15.181 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.261 7.134 -14.238 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.429 5.221 -15.836 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.095 5.871 -16.768 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.538 8.050 -16.949 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.873 7.055 -16.402 1.00 0.00 H new ATOM 0 HE ARG A 4 4.529 5.733 -18.575 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.834 8.343 -17.984 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.429 8.286 -19.647 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.276 5.798 -20.672 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.583 6.904 -21.106 1.00 0.00 H new ATOM 83 N GLU A 5 3.700 5.197 -12.180 1.00 0.00 N ATOM 84 CA GLU A 5 4.364 4.181 -11.342 1.00 0.00 C ATOM 85 C GLU A 5 3.371 3.122 -10.820 1.00 0.00 C ATOM 86 O GLU A 5 3.675 1.926 -10.803 1.00 0.00 O ATOM 87 CB GLU A 5 5.120 4.880 -10.200 1.00 0.00 C ATOM 88 CG GLU A 5 5.896 3.903 -9.302 1.00 0.00 C ATOM 89 CD GLU A 5 6.842 4.593 -8.292 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.821 5.840 -8.137 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.652 3.876 -7.652 1.00 0.00 O ATOM 0 H GLU A 5 3.747 6.142 -11.799 1.00 0.00 H new ATOM 0 HA GLU A 5 5.083 3.636 -11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.815 5.605 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.409 5.438 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.184 3.286 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.481 3.233 -9.932 1.00 0.00 H new ATOM 98 N LEU A 6 2.162 3.561 -10.461 1.00 0.00 N ATOM 99 CA LEU A 6 1.041 2.742 -10.000 1.00 0.00 C ATOM 100 C LEU A 6 0.623 1.678 -11.030 1.00 0.00 C ATOM 101 O LEU A 6 0.644 0.480 -10.732 1.00 0.00 O ATOM 102 CB LEU A 6 -0.113 3.704 -9.614 1.00 0.00 C ATOM 103 CG LEU A 6 -0.458 3.647 -8.121 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.704 4.080 -7.220 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.629 4.578 -7.801 1.00 0.00 C ATOM 0 H LEU A 6 1.927 4.553 -10.486 1.00 0.00 H new ATOM 0 HA LEU A 6 1.337 2.162 -9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.166 4.724 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.999 3.454 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.703 2.604 -7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.397 4.018 -6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.558 3.424 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.984 5.107 -7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.858 4.522 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.361 5.602 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.503 4.274 -8.376 1.00 0.00 H new ATOM 117 N LEU A 7 0.303 2.096 -12.259 1.00 0.00 N ATOM 118 CA LEU A 7 -0.017 1.184 -13.364 1.00 0.00 C ATOM 119 C LEU A 7 1.164 0.284 -13.784 1.00 0.00 C ATOM 120 O LEU A 7 0.975 -0.915 -13.980 1.00 0.00 O ATOM 121 CB LEU A 7 -0.510 1.950 -14.606 1.00 0.00 C ATOM 122 CG LEU A 7 -1.992 2.373 -14.549 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.173 3.760 -13.949 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.592 2.403 -15.952 1.00 0.00 C ATOM 0 H LEU A 7 0.258 3.082 -12.517 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.809 0.545 -12.975 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.104 2.841 -14.736 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.357 1.326 -15.487 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.494 1.638 -13.920 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.233 4.013 -13.930 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.779 3.771 -12.933 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.636 4.491 -14.554 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.638 2.703 -15.894 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.043 3.116 -16.567 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.524 1.411 -16.398 1.00 0.00 H new ATOM 136 N LYS A 8 2.366 0.854 -13.947 1.00 0.00 N ATOM 137 CA LYS A 8 3.514 0.185 -14.584 1.00 0.00 C ATOM 138 C LYS A 8 4.140 -0.942 -13.753 1.00 0.00 C ATOM 139 O LYS A 8 4.981 -1.662 -14.272 1.00 0.00 O ATOM 140 CB LYS A 8 4.550 1.220 -15.055 1.00 0.00 C ATOM 141 CG LYS A 8 4.041 2.031 -16.266 1.00 0.00 C ATOM 142 CD LYS A 8 4.078 1.223 -17.573 1.00 0.00 C ATOM 143 CE LYS A 8 3.317 1.953 -18.682 1.00 0.00 C ATOM 144 NZ LYS A 8 3.411 1.227 -19.975 1.00 0.00 N ATOM 0 H LYS A 8 2.573 1.804 -13.637 1.00 0.00 H new ATOM 0 HA LYS A 8 3.117 -0.329 -15.460 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.784 1.899 -14.235 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.476 0.711 -15.322 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.020 2.360 -16.075 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.649 2.928 -16.380 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.112 1.064 -17.879 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.638 0.239 -17.411 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.270 2.058 -18.398 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.718 2.960 -18.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.885 1.748 -20.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.409 1.148 -20.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.005 0.275 -19.869 1.00 0.00 H new ATOM 158 N GLY A 9 3.710 -1.164 -12.521 1.00 0.00 N ATOM 159 CA GLY A 9 3.998 -2.322 -11.710 1.00 0.00 C ATOM 160 C GLY A 9 2.901 -3.353 -11.564 1.00 0.00 C ATOM 161 O GLY A 9 3.191 -4.550 -11.548 1.00 0.00 O ATOM 0 H GLY A 9 3.113 -0.494 -12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.874 -2.818 -12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.272 -1.977 -10.713 1.00 0.00 H new ATOM 165 N GLU A 10 1.637 -2.944 -11.511 1.00 0.00 N ATOM 166 CA GLU A 10 0.542 -3.934 -11.425 1.00 0.00 C ATOM 167 C GLU A 10 0.429 -4.833 -12.664 1.00 0.00 C ATOM 168 O GLU A 10 0.059 -6.003 -12.515 1.00 0.00 O ATOM 169 CB GLU A 10 -0.818 -3.289 -11.101 1.00 0.00 C ATOM 170 CG GLU A 10 -0.983 -2.948 -9.607 1.00 0.00 C ATOM 171 CD GLU A 10 -2.406 -3.153 -9.065 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.184 -4.037 -9.457 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.766 -2.954 -7.891 1.00 0.00 O ATOM 0 H GLU A 10 1.340 -1.968 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 10 0.818 -4.576 -10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.932 -2.379 -11.690 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.616 -3.967 -11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.294 -3.563 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.693 -1.909 -9.449 1.00 0.00 H new ATOM 180 N LEU A 11 0.806 -4.376 -13.871 1.00 0.00 N ATOM 181 CA LEU A 11 0.724 -5.248 -15.060 1.00 0.00 C ATOM 182 C LEU A 11 1.781 -6.370 -15.008 1.00 0.00 C ATOM 183 O LEU A 11 1.557 -7.487 -15.477 1.00 0.00 O ATOM 184 CB LEU A 11 0.762 -4.335 -16.310 1.00 0.00 C ATOM 185 CG LEU A 11 1.601 -4.825 -17.497 1.00 0.00 C ATOM 186 CD1 LEU A 11 0.923 -5.942 -18.297 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.871 -3.673 -18.465 1.00 0.00 C ATOM 0 H LEU A 11 1.161 -3.436 -14.049 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.214 -5.803 -15.099 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.261 -4.188 -16.655 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.140 -3.359 -16.007 1.00 0.00 H new ATOM 0 HG LEU A 11 2.522 -5.215 -17.065 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.569 -6.243 -19.122 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.743 -6.798 -17.646 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.026 -5.581 -18.693 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.467 -4.034 -19.303 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.924 -3.280 -18.836 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.414 -2.882 -17.947 1.00 0.00 H new ATOM 199 N GLN A 12 2.901 -6.102 -14.343 1.00 0.00 N ATOM 200 CA GLN A 12 4.014 -7.017 -14.139 1.00 0.00 C ATOM 201 C GLN A 12 3.616 -8.253 -13.305 1.00 0.00 C ATOM 202 O GLN A 12 4.250 -9.305 -13.400 1.00 0.00 O ATOM 203 CB GLN A 12 5.163 -6.231 -13.476 1.00 0.00 C ATOM 204 CG GLN A 12 6.522 -6.886 -13.774 1.00 0.00 C ATOM 205 CD GLN A 12 7.524 -6.702 -12.640 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.687 -7.552 -11.774 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.237 -5.600 -12.589 1.00 0.00 N ATOM 0 H GLN A 12 3.063 -5.193 -13.910 1.00 0.00 H new ATOM 0 HA GLN A 12 4.336 -7.409 -15.103 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.163 -5.203 -13.840 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.005 -6.188 -12.398 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.376 -7.951 -13.955 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.933 -6.460 -14.689 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.115 -4.880 -13.302 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.912 -5.464 -11.837 1.00 0.00 H new ATOM 216 N GLY A 13 2.532 -8.150 -12.528 1.00 0.00 N ATOM 217 CA GLY A 13 1.995 -9.239 -11.717 1.00 0.00 C ATOM 218 C GLY A 13 1.069 -10.136 -12.526 1.00 0.00 C ATOM 219 O GLY A 13 1.121 -11.354 -12.353 1.00 0.00 O ATOM 0 H GLY A 13 1.995 -7.287 -12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.816 -9.832 -11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.452 -8.827 -10.867 1.00 0.00 H new ATOM 223 N ILE A 14 0.284 -9.575 -13.465 1.00 0.00 N ATOM 224 CA ILE A 14 -0.690 -10.364 -14.253 1.00 0.00 C ATOM 225 C ILE A 14 -0.012 -11.549 -14.945 1.00 0.00 C ATOM 226 O ILE A 14 -0.474 -12.690 -14.847 1.00 0.00 O ATOM 227 CB ILE A 14 -1.421 -9.501 -15.308 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.122 -8.263 -14.717 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.437 -10.344 -16.108 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.237 -8.580 -13.723 1.00 0.00 C ATOM 0 H ILE A 14 0.303 -8.582 -13.698 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.430 -10.737 -13.544 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.641 -9.135 -15.975 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.377 -7.641 -14.221 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.538 -7.672 -15.533 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.936 -9.712 -16.842 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.916 -11.153 -16.620 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.178 -10.764 -15.427 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.674 -7.651 -13.358 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.006 -9.174 -14.216 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.827 -9.142 -12.884 1.00 0.00 H new ATOM 242 N LYS A 15 1.119 -11.278 -15.607 1.00 0.00 N ATOM 243 CA LYS A 15 1.841 -12.292 -16.386 1.00 0.00 C ATOM 244 C LYS A 15 2.500 -13.372 -15.530 1.00 0.00 C ATOM 245 O LYS A 15 2.638 -14.510 -15.979 1.00 0.00 O ATOM 246 CB LYS A 15 2.844 -11.652 -17.364 1.00 0.00 C ATOM 247 CG LYS A 15 3.844 -10.674 -16.720 1.00 0.00 C ATOM 248 CD LYS A 15 5.033 -10.381 -17.649 1.00 0.00 C ATOM 249 CE LYS A 15 6.232 -11.274 -17.307 1.00 0.00 C ATOM 250 NZ LYS A 15 7.339 -11.116 -18.282 1.00 0.00 N ATOM 0 H LYS A 15 1.557 -10.357 -15.619 1.00 0.00 H new ATOM 0 HA LYS A 15 1.080 -12.806 -16.973 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.403 -12.446 -17.860 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.288 -11.123 -18.138 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.335 -9.742 -16.476 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.210 -11.093 -15.782 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.738 -10.544 -18.686 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.319 -9.333 -17.560 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.592 -11.030 -16.307 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.913 -12.316 -17.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.129 -11.737 -18.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.004 -11.373 -19.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.661 -10.127 -18.284 1.00 0.00 H new ATOM 264 N GLN A 16 2.878 -13.039 -14.297 1.00 0.00 N ATOM 265 CA GLN A 16 3.538 -13.948 -13.376 1.00 0.00 C ATOM 266 C GLN A 16 2.545 -14.843 -12.626 1.00 0.00 C ATOM 267 O GLN A 16 2.778 -16.042 -12.470 1.00 0.00 O ATOM 268 CB GLN A 16 4.408 -13.128 -12.431 1.00 0.00 C ATOM 269 CG GLN A 16 5.664 -12.628 -13.163 1.00 0.00 C ATOM 270 CD GLN A 16 6.841 -12.372 -12.246 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.722 -11.888 -11.127 1.00 0.00 O ATOM 272 NE2 GLN A 16 8.033 -12.697 -12.659 1.00 0.00 N ATOM 0 H GLN A 16 2.728 -12.108 -13.907 1.00 0.00 H new ATOM 0 HA GLN A 16 4.168 -14.636 -13.940 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.841 -12.280 -12.047 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.696 -13.734 -11.572 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.953 -13.363 -13.914 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.422 -11.708 -13.695 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.159 -13.102 -13.587 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.841 -12.547 -12.055 1.00 0.00 H new ATOM 281 N TYR A 17 1.394 -14.295 -12.234 1.00 0.00 N ATOM 282 CA TYR A 17 0.292 -15.051 -11.639 1.00 0.00 C ATOM 283 C TYR A 17 -0.269 -16.125 -12.572 1.00 0.00 C ATOM 284 O TYR A 17 -0.523 -17.248 -12.131 1.00 0.00 O ATOM 285 CB TYR A 17 -0.842 -14.097 -11.252 1.00 0.00 C ATOM 286 CG TYR A 17 -0.612 -13.275 -9.998 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.249 -13.900 -8.788 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.811 -11.882 -10.031 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.045 -13.127 -7.628 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.612 -11.108 -8.874 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.224 -11.730 -7.672 1.00 0.00 C ATOM 292 OH TYR A 17 -0.114 -10.989 -6.537 1.00 0.00 O ATOM 0 H TYR A 17 1.199 -13.298 -12.323 1.00 0.00 H new ATOM 0 HA TYR A 17 0.699 -15.553 -10.761 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.018 -13.415 -12.084 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.753 -14.680 -11.120 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.127 -14.972 -8.750 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.118 -11.405 -10.950 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.249 -13.605 -6.705 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.757 -10.038 -8.907 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.399 -10.069 -6.718 1.00 0.00 H new ATOM 302 N ARG A 18 -0.439 -15.809 -13.866 1.00 0.00 N ATOM 303 CA ARG A 18 -0.953 -16.778 -14.852 1.00 0.00 C ATOM 304 C ARG A 18 -0.004 -17.966 -15.081 1.00 0.00 C ATOM 305 O ARG A 18 -0.446 -19.040 -15.478 1.00 0.00 O ATOM 306 CB ARG A 18 -1.328 -16.052 -16.160 1.00 0.00 C ATOM 307 CG ARG A 18 -2.842 -16.083 -16.433 1.00 0.00 C ATOM 308 CD ARG A 18 -3.298 -17.368 -17.148 1.00 0.00 C ATOM 309 NE ARG A 18 -3.626 -17.111 -18.567 1.00 0.00 N ATOM 310 CZ ARG A 18 -4.766 -16.636 -19.044 1.00 0.00 C ATOM 311 NH1 ARG A 18 -5.793 -16.397 -18.279 1.00 0.00 N ATOM 312 NH2 ARG A 18 -4.897 -16.377 -20.314 1.00 0.00 N ATOM 0 H ARG A 18 -0.228 -14.890 -14.255 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.859 -17.223 -14.440 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.992 -15.016 -16.107 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.801 -16.516 -16.994 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.378 -15.990 -15.488 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.114 -15.220 -17.040 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.511 -18.119 -17.086 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.171 -17.778 -16.640 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.898 -17.322 -19.249 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.735 -16.576 -17.276 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.655 -16.031 -18.683 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.117 -16.540 -20.951 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.780 -16.011 -20.672 1.00 0.00 H new ATOM 326 N GLU A 19 1.281 -17.786 -14.777 1.00 0.00 N ATOM 327 CA GLU A 19 2.323 -18.823 -14.775 1.00 0.00 C ATOM 328 C GLU A 19 2.300 -19.711 -13.512 1.00 0.00 C ATOM 329 O GLU A 19 2.777 -20.846 -13.538 1.00 0.00 O ATOM 330 CB GLU A 19 3.680 -18.106 -14.852 1.00 0.00 C ATOM 331 CG GLU A 19 4.653 -18.679 -15.892 1.00 0.00 C ATOM 332 CD GLU A 19 5.508 -19.844 -15.364 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.379 -19.618 -14.489 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.366 -20.989 -15.861 1.00 0.00 O ATOM 0 H GLU A 19 1.645 -16.871 -14.512 1.00 0.00 H new ATOM 0 HA GLU A 19 2.147 -19.484 -15.624 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.507 -17.054 -15.078 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.153 -18.147 -13.871 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.086 -19.020 -16.758 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.313 -17.883 -16.236 1.00 0.00 H new ATOM 341 N ALA A 20 1.782 -19.196 -12.393 1.00 0.00 N ATOM 342 CA ALA A 20 1.943 -19.787 -11.062 1.00 0.00 C ATOM 343 C ALA A 20 0.892 -20.843 -10.676 1.00 0.00 C ATOM 344 O ALA A 20 1.239 -21.788 -9.961 1.00 0.00 O ATOM 345 CB ALA A 20 1.963 -18.646 -10.041 1.00 0.00 C ATOM 0 H ALA A 20 1.228 -18.340 -12.387 1.00 0.00 H new ATOM 0 HA ALA A 20 2.880 -20.343 -11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.082 -19.057 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.795 -17.976 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.026 -18.091 -10.097 1.00 0.00 H new ATOM 351 N LEU A 21 -0.362 -20.756 -11.149 1.00 0.00 N ATOM 352 CA LEU A 21 -1.375 -21.806 -10.893 1.00 0.00 C ATOM 353 C LEU A 21 -0.916 -23.168 -11.425 1.00 0.00 C ATOM 354 O LEU A 21 -1.216 -24.187 -10.811 1.00 0.00 O ATOM 355 CB LEU A 21 -2.758 -21.383 -11.417 1.00 0.00 C ATOM 356 CG LEU A 21 -3.956 -22.169 -10.833 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.220 -21.309 -10.881 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.311 -23.447 -11.602 1.00 0.00 C ATOM 0 H LEU A 21 -0.703 -19.975 -11.709 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.481 -21.925 -9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.901 -20.324 -11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.767 -21.493 -12.501 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.641 -22.432 -9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.058 -21.870 -10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.066 -20.403 -10.295 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.438 -21.040 -11.915 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.161 -23.935 -11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.569 -23.193 -12.630 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.456 -24.123 -11.599 1.00 0.00 H new ATOM 370 N GLU A 22 -0.078 -23.189 -12.463 1.00 0.00 N ATOM 371 CA GLU A 22 0.549 -24.418 -12.982 1.00 0.00 C ATOM 372 C GLU A 22 1.341 -25.222 -11.930 1.00 0.00 C ATOM 373 O GLU A 22 1.490 -26.438 -12.071 1.00 0.00 O ATOM 374 CB GLU A 22 1.479 -24.062 -14.153 1.00 0.00 C ATOM 375 CG GLU A 22 0.981 -24.564 -15.516 1.00 0.00 C ATOM 376 CD GLU A 22 -0.280 -23.820 -15.998 1.00 0.00 C ATOM 377 OE1 GLU A 22 -1.410 -24.241 -15.652 1.00 0.00 O ATOM 378 OE2 GLU A 22 -0.151 -22.829 -16.759 1.00 0.00 O ATOM 0 H GLU A 22 0.190 -22.349 -12.975 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.270 -25.061 -13.304 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.595 -22.979 -14.196 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.467 -24.481 -13.961 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.774 -24.444 -16.255 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.766 -25.630 -15.450 1.00 0.00 H new ATOM 385 N TYR A 23 1.801 -24.558 -10.864 1.00 0.00 N ATOM 386 CA TYR A 23 2.595 -25.131 -9.770 1.00 0.00 C ATOM 387 C TYR A 23 1.877 -25.069 -8.410 1.00 0.00 C ATOM 388 O TYR A 23 2.182 -25.870 -7.523 1.00 0.00 O ATOM 389 CB TYR A 23 3.937 -24.387 -9.691 1.00 0.00 C ATOM 390 CG TYR A 23 4.871 -24.646 -10.860 1.00 0.00 C ATOM 391 CD1 TYR A 23 4.807 -23.845 -12.019 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.815 -25.690 -10.780 1.00 0.00 C ATOM 393 CE1 TYR A 23 5.682 -24.089 -13.094 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.697 -25.932 -11.851 1.00 0.00 C ATOM 395 CZ TYR A 23 6.632 -25.131 -13.014 1.00 0.00 C ATOM 396 OH TYR A 23 7.483 -25.355 -14.054 1.00 0.00 O ATOM 0 H TYR A 23 1.622 -23.562 -10.734 1.00 0.00 H new ATOM 0 HA TYR A 23 2.750 -26.187 -9.989 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.741 -23.317 -9.629 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.442 -24.673 -8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.086 -23.044 -12.082 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.862 -26.306 -9.894 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.627 -23.478 -13.983 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.423 -26.729 -11.784 1.00 0.00 H new ATOM 0 HH TYR A 23 8.073 -26.107 -13.838 1.00 0.00 H new ATOM 406 N THR A 24 0.905 -24.165 -8.240 1.00 0.00 N ATOM 407 CA THR A 24 0.189 -23.938 -6.967 1.00 0.00 C ATOM 408 C THR A 24 -1.234 -24.501 -6.934 1.00 0.00 C ATOM 409 O THR A 24 -1.727 -24.777 -5.841 1.00 0.00 O ATOM 410 CB THR A 24 0.132 -22.447 -6.603 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.383 -21.705 -7.675 1.00 0.00 O ATOM 412 CG2 THR A 24 1.499 -21.854 -6.264 1.00 0.00 C ATOM 0 H THR A 24 0.584 -23.557 -8.993 1.00 0.00 H new ATOM 0 HA THR A 24 0.778 -24.486 -6.232 1.00 0.00 H new ATOM 0 HB THR A 24 -0.506 -22.387 -5.721 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.262 -21.705 -8.413 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.386 -20.798 -6.016 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.924 -22.383 -5.411 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.163 -21.957 -7.122 1.00 0.00 H new ATOM 420 N HIS A 25 -1.887 -24.716 -8.087 1.00 0.00 N ATOM 421 CA HIS A 25 -3.228 -25.323 -8.263 1.00 0.00 C ATOM 422 C HIS A 25 -4.257 -24.998 -7.155 1.00 0.00 C ATOM 423 O HIS A 25 -4.901 -25.894 -6.603 1.00 0.00 O ATOM 424 CB HIS A 25 -3.076 -26.828 -8.567 1.00 0.00 C ATOM 425 CG HIS A 25 -2.726 -27.098 -10.011 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.630 -27.291 -11.042 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.470 -27.158 -10.546 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.934 -27.466 -12.183 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.615 -27.397 -11.900 1.00 0.00 N ATOM 0 H HIS A 25 -1.471 -24.456 -8.982 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.685 -24.841 -9.127 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.302 -27.248 -7.925 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.006 -27.340 -8.321 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.539 -27.041 -10.011 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.360 -27.634 -13.161 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.855 -27.503 -12.572 1.00 0.00 H new ATOM 438 N ASN A 26 -4.413 -23.713 -6.816 1.00 0.00 N ATOM 439 CA ASN A 26 -5.296 -23.242 -5.737 1.00 0.00 C ATOM 440 C ASN A 26 -6.339 -22.208 -6.213 1.00 0.00 C ATOM 441 O ASN A 26 -6.063 -21.438 -7.138 1.00 0.00 O ATOM 442 CB ASN A 26 -4.416 -22.702 -4.590 1.00 0.00 C ATOM 443 CG ASN A 26 -4.292 -23.731 -3.474 1.00 0.00 C ATOM 444 OD1 ASN A 26 -5.047 -23.728 -2.513 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.382 -24.666 -3.572 1.00 0.00 N ATOM 0 H ASN A 26 -3.921 -22.956 -7.291 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.890 -24.083 -5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.426 -22.452 -4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.848 -21.782 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.308 -25.383 -2.850 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.747 -24.678 -4.370 1.00 0.00 H new ATOM 452 N PRO A 27 -7.514 -22.122 -5.549 1.00 0.00 N ATOM 453 CA PRO A 27 -8.561 -21.147 -5.875 1.00 0.00 C ATOM 454 C PRO A 27 -8.169 -19.704 -5.524 1.00 0.00 C ATOM 455 O PRO A 27 -8.843 -18.765 -5.940 1.00 0.00 O ATOM 456 CB PRO A 27 -9.793 -21.595 -5.079 1.00 0.00 C ATOM 457 CG PRO A 27 -9.192 -22.271 -3.850 1.00 0.00 C ATOM 458 CD PRO A 27 -7.940 -22.940 -4.416 1.00 0.00 C ATOM 0 HA PRO A 27 -8.744 -21.128 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.424 -20.749 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.414 -22.283 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.949 -21.550 -3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.876 -22.997 -3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.155 -22.998 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.154 -23.961 -4.732 1.00 0.00 H new ATOM 466 N VAL A 28 -7.082 -19.505 -4.770 1.00 0.00 N ATOM 467 CA VAL A 28 -6.616 -18.178 -4.345 1.00 0.00 C ATOM 468 C VAL A 28 -6.196 -17.315 -5.526 1.00 0.00 C ATOM 469 O VAL A 28 -6.573 -16.151 -5.596 1.00 0.00 O ATOM 470 CB VAL A 28 -5.517 -18.313 -3.268 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.069 -18.336 -3.786 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.703 -17.239 -2.204 1.00 0.00 C ATOM 0 H VAL A 28 -6.494 -20.268 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.452 -17.650 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.655 -19.306 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.383 -18.434 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.938 -19.181 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.859 -17.409 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.925 -17.339 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.636 -16.254 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.681 -17.355 -1.737 1.00 0.00 H new ATOM 482 N LEU A 29 -5.492 -17.868 -6.516 1.00 0.00 N ATOM 483 CA LEU A 29 -5.035 -17.106 -7.673 1.00 0.00 C ATOM 484 C LEU A 29 -6.218 -16.644 -8.545 1.00 0.00 C ATOM 485 O LEU A 29 -6.176 -15.549 -9.107 1.00 0.00 O ATOM 486 CB LEU A 29 -4.024 -17.945 -8.463 1.00 0.00 C ATOM 487 CG LEU A 29 -2.794 -18.414 -7.662 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.950 -19.859 -7.181 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.533 -18.345 -8.523 1.00 0.00 C ATOM 0 H LEU A 29 -5.225 -18.852 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.537 -16.198 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.535 -18.822 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.681 -17.362 -9.317 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.710 -17.749 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.063 -20.154 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.827 -19.936 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.071 -20.518 -8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.675 -18.680 -7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.652 -18.988 -9.395 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.371 -17.318 -8.849 1.00 0.00 H new ATOM 501 N ALA A 30 -7.318 -17.411 -8.543 1.00 0.00 N ATOM 502 CA ALA A 30 -8.625 -17.021 -9.086 1.00 0.00 C ATOM 503 C ALA A 30 -9.345 -15.913 -8.272 1.00 0.00 C ATOM 504 O ALA A 30 -10.476 -15.550 -8.597 1.00 0.00 O ATOM 505 CB ALA A 30 -9.489 -18.282 -9.240 1.00 0.00 C ATOM 0 H ALA A 30 -7.321 -18.352 -8.149 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.458 -16.564 -10.061 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.464 -18.008 -9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.998 -18.979 -9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.619 -18.755 -8.267 1.00 0.00 H new ATOM 511 N LYS A 31 -8.690 -15.341 -7.249 1.00 0.00 N ATOM 512 CA LYS A 31 -9.075 -14.116 -6.540 1.00 0.00 C ATOM 513 C LYS A 31 -7.979 -13.048 -6.600 1.00 0.00 C ATOM 514 O LYS A 31 -8.300 -11.914 -6.935 1.00 0.00 O ATOM 515 CB LYS A 31 -9.502 -14.393 -5.082 1.00 0.00 C ATOM 516 CG LYS A 31 -10.462 -15.587 -4.931 1.00 0.00 C ATOM 517 CD LYS A 31 -11.195 -15.617 -3.583 1.00 0.00 C ATOM 518 CE LYS A 31 -12.415 -14.685 -3.597 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.224 -14.815 -2.358 1.00 0.00 N ATOM 0 H LYS A 31 -7.831 -15.745 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.946 -13.722 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.611 -14.577 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.980 -13.501 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.198 -15.555 -5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.899 -16.513 -5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.514 -16.635 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.513 -15.316 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.082 -13.653 -3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.037 -14.914 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.038 -14.170 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.563 -15.794 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.638 -14.572 -1.534 1.00 0.00 H new ATOM 533 N ILE A 32 -6.697 -13.391 -6.381 1.00 0.00 N ATOM 534 CA ILE A 32 -5.596 -12.407 -6.447 1.00 0.00 C ATOM 535 C ILE A 32 -5.507 -11.793 -7.842 1.00 0.00 C ATOM 536 O ILE A 32 -5.846 -10.624 -8.013 1.00 0.00 O ATOM 537 CB ILE A 32 -4.213 -12.926 -5.972 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.109 -13.189 -4.453 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.142 -11.864 -6.250 1.00 0.00 C ATOM 540 CD1 ILE A 32 -4.520 -14.602 -4.082 1.00 0.00 C ATOM 0 H ILE A 32 -6.396 -14.339 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.860 -11.637 -5.722 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.076 -13.862 -6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.084 -13.014 -4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.740 -12.478 -3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.171 -12.230 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.103 -11.658 -7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.389 -10.949 -5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.429 -14.736 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.554 -14.771 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.872 -15.315 -4.592 1.00 0.00 H new ATOM 552 N LEU A 33 -5.079 -12.569 -8.845 1.00 0.00 N ATOM 553 CA LEU A 33 -4.889 -12.042 -10.201 1.00 0.00 C ATOM 554 C LEU A 33 -6.226 -11.625 -10.825 1.00 0.00 C ATOM 555 O LEU A 33 -6.257 -10.742 -11.680 1.00 0.00 O ATOM 556 CB LEU A 33 -4.065 -13.033 -11.049 1.00 0.00 C ATOM 557 CG LEU A 33 -4.874 -14.035 -11.892 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.076 -13.571 -13.336 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.234 -15.422 -11.964 1.00 0.00 C ATOM 0 H LEU A 33 -4.859 -13.560 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.301 -11.125 -10.160 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.423 -12.461 -11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.411 -13.595 -10.382 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.830 -14.091 -11.371 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.653 -14.318 -13.881 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.613 -12.623 -13.342 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.106 -13.441 -13.816 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.856 -16.078 -12.573 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.243 -15.343 -12.411 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.147 -15.835 -10.959 1.00 0.00 H new ATOM 571 N GLU A 34 -7.333 -12.223 -10.365 1.00 0.00 N ATOM 572 CA GLU A 34 -8.668 -11.832 -10.803 1.00 0.00 C ATOM 573 C GLU A 34 -8.999 -10.386 -10.392 1.00 0.00 C ATOM 574 O GLU A 34 -9.592 -9.651 -11.182 1.00 0.00 O ATOM 575 CB GLU A 34 -9.725 -12.837 -10.318 1.00 0.00 C ATOM 576 CG GLU A 34 -11.087 -12.556 -10.972 1.00 0.00 C ATOM 577 CD GLU A 34 -12.119 -13.671 -10.713 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.119 -14.685 -11.456 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.985 -13.507 -9.818 1.00 0.00 O ATOM 0 H GLU A 34 -7.323 -12.984 -9.685 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.684 -11.854 -11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.405 -13.851 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.818 -12.778 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.478 -11.611 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.950 -12.437 -12.047 1.00 0.00 H new ATOM 586 N ASP A 35 -8.562 -9.933 -9.210 1.00 0.00 N ATOM 587 CA ASP A 35 -8.678 -8.534 -8.804 1.00 0.00 C ATOM 588 C ASP A 35 -7.712 -7.625 -9.560 1.00 0.00 C ATOM 589 O ASP A 35 -8.139 -6.590 -10.078 1.00 0.00 O ATOM 590 CB ASP A 35 -8.418 -8.404 -7.302 1.00 0.00 C ATOM 591 CG ASP A 35 -9.420 -9.104 -6.368 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.608 -9.278 -6.739 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.007 -9.423 -5.224 1.00 0.00 O ATOM 0 H ASP A 35 -8.119 -10.529 -8.511 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.692 -8.215 -9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.424 -8.799 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.400 -7.344 -7.050 1.00 0.00 H new ATOM 598 N GLU A 36 -6.438 -8.013 -9.704 1.00 0.00 N ATOM 599 CA GLU A 36 -5.473 -7.235 -10.484 1.00 0.00 C ATOM 600 C GLU A 36 -5.937 -6.962 -11.930 1.00 0.00 C ATOM 601 O GLU A 36 -5.529 -5.967 -12.532 1.00 0.00 O ATOM 602 CB GLU A 36 -4.110 -7.934 -10.513 1.00 0.00 C ATOM 603 CG GLU A 36 -3.525 -8.431 -9.190 1.00 0.00 C ATOM 604 CD GLU A 36 -3.406 -7.425 -8.054 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.700 -6.208 -8.191 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.989 -7.821 -6.945 1.00 0.00 O ATOM 0 H GLU A 36 -6.054 -8.862 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.390 -6.272 -9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.188 -8.789 -11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.392 -7.245 -10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.139 -9.261 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.531 -8.831 -9.391 1.00 0.00 H new ATOM 613 N GLU A 37 -6.820 -7.805 -12.479 1.00 0.00 N ATOM 614 CA GLU A 37 -7.343 -7.650 -13.841 1.00 0.00 C ATOM 615 C GLU A 37 -8.276 -6.430 -13.969 1.00 0.00 C ATOM 616 O GLU A 37 -8.302 -5.779 -15.017 1.00 0.00 O ATOM 617 CB GLU A 37 -8.064 -8.938 -14.275 1.00 0.00 C ATOM 618 CG GLU A 37 -8.174 -9.047 -15.801 1.00 0.00 C ATOM 619 CD GLU A 37 -8.956 -10.306 -16.221 1.00 0.00 C ATOM 620 OE1 GLU A 37 -10.203 -10.237 -16.346 1.00 0.00 O ATOM 621 OE2 GLU A 37 -8.331 -11.369 -16.454 1.00 0.00 O ATOM 0 H GLU A 37 -7.193 -8.618 -11.988 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.497 -7.472 -14.505 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.526 -9.803 -13.887 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.062 -8.960 -13.837 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.670 -8.160 -16.196 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.176 -9.074 -16.238 1.00 0.00 H new ATOM 628 N LYS A 38 -8.996 -6.077 -12.890 1.00 0.00 N ATOM 629 CA LYS A 38 -9.754 -4.815 -12.795 1.00 0.00 C ATOM 630 C LYS A 38 -8.870 -3.666 -12.359 1.00 0.00 C ATOM 631 O LYS A 38 -8.999 -2.590 -12.924 1.00 0.00 O ATOM 632 CB LYS A 38 -10.930 -4.857 -11.801 1.00 0.00 C ATOM 633 CG LYS A 38 -12.025 -5.879 -12.106 1.00 0.00 C ATOM 634 CD LYS A 38 -11.739 -7.220 -11.439 1.00 0.00 C ATOM 635 CE LYS A 38 -12.436 -7.435 -10.093 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.783 -8.039 -10.261 1.00 0.00 N ATOM 0 H LYS A 38 -9.069 -6.660 -12.056 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.142 -4.671 -13.803 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.533 -5.064 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.384 -3.867 -11.763 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.986 -5.498 -11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.105 -6.017 -13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.039 -8.018 -12.118 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.663 -7.314 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.823 -8.082 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.527 -6.481 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.224 -8.169 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.376 -7.410 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.693 -8.961 -10.734 1.00 0.00 H new ATOM 650 N HIS A 39 -7.998 -3.868 -11.367 1.00 0.00 N ATOM 651 CA HIS A 39 -7.293 -2.821 -10.638 1.00 0.00 C ATOM 652 C HIS A 39 -6.666 -1.744 -11.525 1.00 0.00 C ATOM 653 O HIS A 39 -6.862 -0.557 -11.283 1.00 0.00 O ATOM 654 CB HIS A 39 -6.213 -3.513 -9.824 1.00 0.00 C ATOM 655 CG HIS A 39 -6.628 -4.086 -8.505 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.710 -4.351 -7.487 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.886 -4.415 -8.093 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.456 -4.828 -6.468 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.756 -4.866 -6.800 1.00 0.00 N ATOM 0 H HIS A 39 -7.758 -4.804 -11.040 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.016 -2.288 -10.021 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.795 -4.318 -10.428 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.410 -2.798 -9.647 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.699 -4.214 -7.508 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.798 -4.337 -8.665 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.059 -5.138 -5.512 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.518 -5.176 -6.197 1.00 0.00 H new ATOM 667 N ILE A 40 -5.945 -2.153 -12.568 1.00 0.00 N ATOM 668 CA ILE A 40 -5.235 -1.219 -13.454 1.00 0.00 C ATOM 669 C ILE A 40 -6.216 -0.296 -14.191 1.00 0.00 C ATOM 670 O ILE A 40 -5.973 0.905 -14.277 1.00 0.00 O ATOM 671 CB ILE A 40 -4.328 -1.996 -14.438 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.385 -2.942 -13.662 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.491 -1.039 -15.303 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.482 -3.800 -14.548 1.00 0.00 C ATOM 0 H ILE A 40 -5.834 -3.134 -12.825 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.597 -0.580 -12.843 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.975 -2.579 -15.093 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.760 -2.347 -12.996 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.986 -3.599 -13.033 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.865 -1.617 -15.983 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.155 -0.395 -15.880 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.859 -0.426 -14.660 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.854 -4.433 -13.922 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.096 -4.425 -15.196 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.851 -3.154 -15.159 1.00 0.00 H new ATOM 686 N GLU A 41 -7.350 -0.831 -14.653 1.00 0.00 N ATOM 687 CA GLU A 41 -8.461 -0.043 -15.199 1.00 0.00 C ATOM 688 C GLU A 41 -9.210 0.740 -14.111 1.00 0.00 C ATOM 689 O GLU A 41 -9.536 1.905 -14.313 1.00 0.00 O ATOM 690 CB GLU A 41 -9.421 -0.960 -15.976 1.00 0.00 C ATOM 691 CG GLU A 41 -8.908 -1.292 -17.386 1.00 0.00 C ATOM 692 CD GLU A 41 -9.440 -0.307 -18.447 1.00 0.00 C ATOM 693 OE1 GLU A 41 -9.185 0.917 -18.343 1.00 0.00 O ATOM 694 OE2 GLU A 41 -10.121 -0.752 -19.405 1.00 0.00 O ATOM 0 H GLU A 41 -7.525 -1.836 -14.659 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.040 0.696 -15.881 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.565 -1.885 -15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.396 -0.479 -16.052 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.818 -1.272 -17.388 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.209 -2.306 -17.651 1.00 0.00 H new ATOM 701 N TRP A 42 -9.425 0.155 -12.931 1.00 0.00 N ATOM 702 CA TRP A 42 -10.024 0.799 -11.758 1.00 0.00 C ATOM 703 C TRP A 42 -9.377 2.140 -11.388 1.00 0.00 C ATOM 704 O TRP A 42 -10.105 3.120 -11.257 1.00 0.00 O ATOM 705 CB TRP A 42 -10.073 -0.227 -10.605 1.00 0.00 C ATOM 706 CG TRP A 42 -11.284 -1.100 -10.550 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.297 -1.096 -11.442 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.614 -2.139 -9.576 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.269 -1.977 -11.037 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.876 -2.704 -9.932 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.961 -2.684 -8.447 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.448 -3.775 -9.226 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.521 -3.764 -7.737 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.757 -4.313 -8.126 1.00 0.00 C ATOM 0 H TRP A 42 -9.177 -0.819 -12.759 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.046 1.093 -11.998 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.193 -0.866 -10.677 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.997 0.314 -9.662 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.337 -0.493 -12.337 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.173 -2.082 -11.498 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.019 -2.266 -8.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.404 -4.179 -9.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.997 -4.174 -6.886 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.174 -5.146 -7.580 1.00 0.00 H new ATOM 725 N LEU A 43 -8.045 2.249 -11.335 1.00 0.00 N ATOM 726 CA LEU A 43 -7.321 3.520 -11.126 1.00 0.00 C ATOM 727 C LEU A 43 -7.049 4.329 -12.417 1.00 0.00 C ATOM 728 O LEU A 43 -6.268 5.281 -12.394 1.00 0.00 O ATOM 729 CB LEU A 43 -6.096 3.275 -10.234 1.00 0.00 C ATOM 730 CG LEU A 43 -5.104 2.253 -10.809 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.790 2.939 -11.123 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.796 1.130 -9.830 1.00 0.00 C ATOM 0 H LEU A 43 -7.424 1.446 -11.437 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.982 4.199 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.578 4.221 -10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.433 2.930 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.570 1.835 -11.701 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.088 2.212 -11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.958 3.730 -11.854 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.377 3.370 -10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.090 0.435 -10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.360 1.548 -8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.716 0.602 -9.581 1.00 0.00 H new ATOM 744 N GLU A 44 -7.731 4.020 -13.525 1.00 0.00 N ATOM 745 CA GLU A 44 -7.687 4.764 -14.796 1.00 0.00 C ATOM 746 C GLU A 44 -9.055 5.339 -15.178 1.00 0.00 C ATOM 747 O GLU A 44 -9.153 6.497 -15.579 1.00 0.00 O ATOM 748 CB GLU A 44 -7.212 3.826 -15.916 1.00 0.00 C ATOM 749 CG GLU A 44 -6.003 4.397 -16.664 1.00 0.00 C ATOM 750 CD GLU A 44 -5.608 3.564 -17.905 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.618 2.311 -17.860 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.265 4.170 -18.949 1.00 0.00 O ATOM 0 H GLU A 44 -8.354 3.214 -13.566 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.997 5.597 -14.666 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.952 2.856 -15.492 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.028 3.658 -16.619 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.225 5.418 -16.975 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.153 4.449 -15.983 1.00 0.00 H new ATOM 759 N THR A 45 -10.125 4.569 -14.981 1.00 0.00 N ATOM 760 CA THR A 45 -11.521 5.004 -15.088 1.00 0.00 C ATOM 761 C THR A 45 -11.783 6.310 -14.322 1.00 0.00 C ATOM 762 O THR A 45 -12.530 7.170 -14.793 1.00 0.00 O ATOM 763 CB THR A 45 -12.454 3.881 -14.613 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.366 2.765 -15.476 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.926 4.278 -14.544 1.00 0.00 C ATOM 0 H THR A 45 -10.041 3.583 -14.732 1.00 0.00 H new ATOM 0 HA THR A 45 -11.728 5.216 -16.137 1.00 0.00 H new ATOM 0 HB THR A 45 -12.114 3.648 -13.604 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.510 2.309 -15.335 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.516 3.429 -14.200 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.047 5.109 -13.849 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.268 4.580 -15.534 1.00 0.00 H new ATOM 773 N ILE A 46 -11.116 6.489 -13.175 1.00 0.00 N ATOM 774 CA ILE A 46 -11.181 7.702 -12.340 1.00 0.00 C ATOM 775 C ILE A 46 -10.774 8.965 -13.093 1.00 0.00 C ATOM 776 O ILE A 46 -11.460 9.988 -13.032 1.00 0.00 O ATOM 777 CB ILE A 46 -10.269 7.592 -11.094 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.357 6.249 -10.366 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.555 8.733 -10.108 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.779 5.775 -10.024 1.00 0.00 C ATOM 0 H ILE A 46 -10.498 5.776 -12.789 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.227 7.779 -12.043 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.251 7.669 -11.477 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.878 5.489 -10.983 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.783 6.318 -9.442 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.903 8.636 -9.240 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.370 9.690 -10.596 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.596 8.684 -9.787 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.729 4.815 -9.510 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.261 6.508 -9.377 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.357 5.666 -10.942 1.00 0.00 H new ATOM 792 N LEU A 47 -9.621 8.897 -13.764 1.00 0.00 N ATOM 793 CA LEU A 47 -8.934 10.086 -14.278 1.00 0.00 C ATOM 794 C LEU A 47 -9.687 10.753 -15.448 1.00 0.00 C ATOM 795 O LEU A 47 -9.533 11.952 -15.688 1.00 0.00 O ATOM 796 CB LEU A 47 -7.448 9.772 -14.554 1.00 0.00 C ATOM 797 CG LEU A 47 -7.099 9.133 -15.917 1.00 0.00 C ATOM 798 CD1 LEU A 47 -6.833 10.173 -17.007 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.828 8.291 -15.793 1.00 0.00 C ATOM 0 H LEU A 47 -9.139 8.021 -13.966 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.942 10.854 -13.504 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.885 10.701 -14.463 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.093 9.105 -13.768 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.964 8.530 -16.195 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.593 9.667 -17.942 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.721 10.790 -17.146 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.995 10.804 -16.711 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.591 7.845 -16.759 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.001 8.925 -15.473 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.985 7.502 -15.058 1.00 0.00 H new ATOM 811 N GLY A 48 -10.527 9.979 -16.142 1.00 0.00 N ATOM 812 CA GLY A 48 -11.440 10.441 -17.193 1.00 0.00 C ATOM 813 C GLY A 48 -11.964 9.321 -18.106 1.00 0.00 C ATOM 814 O GLY A 48 -12.983 9.487 -18.776 1.00 0.00 O ATOM 0 H GLY A 48 -10.592 8.974 -15.981 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.289 10.943 -16.728 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.927 11.183 -17.804 1.00 0.00 H new ATOM 828 N ASP B 1 11.343 -18.248 -6.228 1.00 0.00 N ATOM 829 CA ASP B 1 11.704 -16.832 -6.018 1.00 0.00 C ATOM 830 C ASP B 1 10.665 -15.830 -6.556 1.00 0.00 C ATOM 831 O ASP B 1 10.507 -14.726 -6.032 1.00 0.00 O ATOM 832 CB ASP B 1 13.068 -16.582 -6.672 1.00 0.00 C ATOM 833 CG ASP B 1 13.693 -15.244 -6.240 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.023 -15.090 -5.038 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.894 -14.358 -7.104 1.00 0.00 O ATOM 0 H1 ASP B 1 12.038 -18.858 -5.751 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.397 -18.427 -5.834 1.00 0.00 H new ATOM 0 H3 ASP B 1 11.339 -18.458 -7.247 1.00 0.00 H new ATOM 0 HA ASP B 1 11.738 -16.661 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.746 -17.396 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.955 -16.593 -7.756 1.00 0.00 H new ATOM 840 N TYR B 2 9.910 -16.243 -7.576 1.00 0.00 N ATOM 841 CA TYR B 2 8.787 -15.488 -8.143 1.00 0.00 C ATOM 842 C TYR B 2 7.701 -15.136 -7.112 1.00 0.00 C ATOM 843 O TYR B 2 7.132 -14.049 -7.170 1.00 0.00 O ATOM 844 CB TYR B 2 8.180 -16.264 -9.319 1.00 0.00 C ATOM 845 CG TYR B 2 7.345 -17.482 -8.960 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.945 -18.753 -8.841 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.960 -17.337 -8.744 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.163 -19.873 -8.492 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.180 -18.452 -8.388 1.00 0.00 C ATOM 850 CZ TYR B 2 5.776 -19.724 -8.262 1.00 0.00 C ATOM 851 OH TYR B 2 5.015 -20.795 -7.910 1.00 0.00 O ATOM 0 H TYR B 2 10.066 -17.136 -8.044 1.00 0.00 H new ATOM 0 HA TYR B 2 9.191 -14.537 -8.491 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.558 -15.580 -9.896 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.991 -16.585 -9.973 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.004 -18.868 -9.017 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.496 -16.368 -8.852 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.624 -20.845 -8.400 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.121 -18.334 -8.211 1.00 0.00 H new ATOM 0 HH TYR B 2 4.085 -20.510 -7.791 1.00 0.00 H new ATOM 861 N LEU B 3 7.442 -16.024 -6.146 1.00 0.00 N ATOM 862 CA LEU B 3 6.510 -15.782 -5.031 1.00 0.00 C ATOM 863 C LEU B 3 7.004 -14.623 -4.167 1.00 0.00 C ATOM 864 O LEU B 3 6.248 -13.693 -3.907 1.00 0.00 O ATOM 865 CB LEU B 3 6.341 -17.035 -4.149 1.00 0.00 C ATOM 866 CG LEU B 3 5.598 -18.195 -4.826 1.00 0.00 C ATOM 867 CD1 LEU B 3 5.737 -19.473 -3.998 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.099 -17.905 -4.984 1.00 0.00 C ATOM 0 H LEU B 3 7.878 -16.945 -6.113 1.00 0.00 H new ATOM 0 HA LEU B 3 5.542 -15.532 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.327 -17.382 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU B 3 5.804 -16.756 -3.243 1.00 0.00 H new ATOM 0 HG LEU B 3 6.048 -18.317 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.205 -20.286 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.791 -19.733 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.314 -19.312 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.613 -18.753 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.654 -17.744 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.963 -17.012 -5.595 1.00 0.00 H new ATOM 880 N ARG B 4 8.280 -14.634 -3.769 1.00 0.00 N ATOM 881 CA ARG B 4 8.887 -13.516 -3.023 1.00 0.00 C ATOM 882 C ARG B 4 8.758 -12.197 -3.793 1.00 0.00 C ATOM 883 O ARG B 4 8.377 -11.185 -3.208 1.00 0.00 O ATOM 884 CB ARG B 4 10.354 -13.830 -2.679 1.00 0.00 C ATOM 885 CG ARG B 4 10.952 -12.771 -1.737 1.00 0.00 C ATOM 886 CD ARG B 4 12.453 -12.987 -1.533 1.00 0.00 C ATOM 887 NE ARG B 4 13.024 -11.920 -0.685 1.00 0.00 N ATOM 888 CZ ARG B 4 14.243 -11.413 -0.749 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.131 -11.838 -1.603 1.00 0.00 N ATOM 890 NH2 ARG B 4 14.596 -10.451 0.055 1.00 0.00 N ATOM 0 H ARG B 4 8.920 -15.408 -3.950 1.00 0.00 H new ATOM 0 HA ARG B 4 8.342 -13.395 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.417 -14.812 -2.210 1.00 0.00 H new ATOM 0 HB3 ARG B 4 10.942 -13.876 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG B 4 10.779 -11.777 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG B 4 10.443 -12.810 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG B 4 12.626 -13.958 -1.070 1.00 0.00 H new ATOM 0 HD3 ARG B 4 12.958 -13.000 -2.499 1.00 0.00 H new ATOM 0 HE ARG B 4 12.409 -11.531 0.030 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.895 -12.588 -2.253 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.062 -11.421 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG B 4 13.931 -10.086 0.737 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.538 -10.062 0.003 1.00 0.00 H new ATOM 904 N GLU B 5 9.024 -12.216 -5.100 1.00 0.00 N ATOM 905 CA GLU B 5 8.903 -11.037 -5.972 1.00 0.00 C ATOM 906 C GLU B 5 7.456 -10.500 -6.033 1.00 0.00 C ATOM 907 O GLU B 5 7.234 -9.292 -5.908 1.00 0.00 O ATOM 908 CB GLU B 5 9.465 -11.382 -7.359 1.00 0.00 C ATOM 909 CG GLU B 5 9.592 -10.162 -8.278 1.00 0.00 C ATOM 910 CD GLU B 5 10.428 -10.476 -9.538 1.00 0.00 C ATOM 911 OE1 GLU B 5 10.107 -11.432 -10.285 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.429 -9.764 -9.793 1.00 0.00 O ATOM 0 H GLU B 5 9.332 -13.055 -5.591 1.00 0.00 H new ATOM 0 HA GLU B 5 9.491 -10.221 -5.551 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.445 -11.845 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.818 -12.120 -7.833 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.599 -9.826 -8.576 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.055 -9.341 -7.730 1.00 0.00 H new ATOM 919 N LEU B 6 6.470 -11.400 -6.131 1.00 0.00 N ATOM 920 CA LEU B 6 5.031 -11.128 -6.012 1.00 0.00 C ATOM 921 C LEU B 6 4.669 -10.498 -4.657 1.00 0.00 C ATOM 922 O LEU B 6 4.241 -9.344 -4.597 1.00 0.00 O ATOM 923 CB LEU B 6 4.277 -12.466 -6.232 1.00 0.00 C ATOM 924 CG LEU B 6 3.588 -12.623 -7.592 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.462 -12.289 -8.798 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.132 -14.075 -7.757 1.00 0.00 C ATOM 0 H LEU B 6 6.663 -12.387 -6.304 1.00 0.00 H new ATOM 0 HA LEU B 6 4.736 -10.398 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.984 -13.286 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.525 -12.571 -5.450 1.00 0.00 H new ATOM 0 HG LEU B 6 2.764 -11.909 -7.580 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.888 -12.430 -9.714 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.792 -11.252 -8.732 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.332 -12.946 -8.810 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.641 -14.195 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.997 -14.736 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.433 -14.330 -6.960 1.00 0.00 H new ATOM 938 N LEU B 7 4.861 -11.248 -3.570 1.00 0.00 N ATOM 939 CA LEU B 7 4.477 -10.871 -2.207 1.00 0.00 C ATOM 940 C LEU B 7 5.107 -9.537 -1.762 1.00 0.00 C ATOM 941 O LEU B 7 4.407 -8.691 -1.205 1.00 0.00 O ATOM 942 CB LEU B 7 4.819 -12.008 -1.216 1.00 0.00 C ATOM 943 CG LEU B 7 3.740 -13.108 -1.088 1.00 0.00 C ATOM 944 CD1 LEU B 7 3.765 -14.134 -2.220 1.00 0.00 C ATOM 945 CD2 LEU B 7 3.938 -13.898 0.206 1.00 0.00 C ATOM 0 H LEU B 7 5.303 -12.166 -3.615 1.00 0.00 H new ATOM 0 HA LEU B 7 3.398 -10.718 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU B 7 5.755 -12.472 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU B 7 4.991 -11.572 -0.232 1.00 0.00 H new ATOM 0 HG LEU B 7 2.791 -12.572 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU B 7 2.979 -14.872 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU B 7 3.600 -13.630 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.734 -14.633 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.171 -14.669 0.283 1.00 0.00 H new ATOM 0 HD22 LEU B 7 4.923 -14.365 0.200 1.00 0.00 H new ATOM 0 HD23 LEU B 7 3.861 -13.224 1.059 1.00 0.00 H new ATOM 957 N LYS B 8 6.400 -9.304 -2.030 1.00 0.00 N ATOM 958 CA LYS B 8 7.087 -8.052 -1.690 1.00 0.00 C ATOM 959 C LYS B 8 6.618 -6.874 -2.553 1.00 0.00 C ATOM 960 O LYS B 8 6.469 -5.759 -2.054 1.00 0.00 O ATOM 961 CB LYS B 8 8.597 -8.303 -1.818 1.00 0.00 C ATOM 962 CG LYS B 8 9.428 -7.099 -1.366 1.00 0.00 C ATOM 963 CD LYS B 8 10.922 -7.436 -1.376 1.00 0.00 C ATOM 964 CE LYS B 8 11.687 -6.152 -1.060 1.00 0.00 C ATOM 965 NZ LYS B 8 13.156 -6.373 -1.006 1.00 0.00 N ATOM 0 H LYS B 8 7.002 -9.985 -2.492 1.00 0.00 H new ATOM 0 HA LYS B 8 6.843 -7.763 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS B 8 8.870 -9.174 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS B 8 8.837 -8.538 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.237 -6.252 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.125 -6.798 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.146 -8.206 -0.638 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.219 -7.830 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS B 8 11.462 -5.401 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.346 -5.753 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.634 -5.475 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 13.375 -7.070 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 13.488 -6.728 -1.925 1.00 0.00 H new ATOM 979 N GLY B 9 6.346 -7.116 -3.836 1.00 0.00 N ATOM 980 CA GLY B 9 5.971 -6.085 -4.799 1.00 0.00 C ATOM 981 C GLY B 9 4.567 -5.525 -4.615 1.00 0.00 C ATOM 982 O GLY B 9 4.346 -4.327 -4.787 1.00 0.00 O ATOM 0 H GLY B 9 6.381 -8.052 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.686 -5.265 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.054 -6.498 -5.804 1.00 0.00 H new ATOM 986 N GLU B 10 3.636 -6.367 -4.178 1.00 0.00 N ATOM 987 CA GLU B 10 2.306 -5.950 -3.723 1.00 0.00 C ATOM 988 C GLU B 10 2.403 -4.923 -2.582 1.00 0.00 C ATOM 989 O GLU B 10 1.715 -3.902 -2.604 1.00 0.00 O ATOM 990 CB GLU B 10 1.543 -7.190 -3.235 1.00 0.00 C ATOM 991 CG GLU B 10 1.247 -8.280 -4.273 1.00 0.00 C ATOM 992 CD GLU B 10 -0.168 -8.197 -4.774 1.00 0.00 C ATOM 993 OE1 GLU B 10 -1.212 -8.392 -4.115 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.591 -7.831 -5.897 1.00 0.00 O ATOM 0 H GLU B 10 3.783 -7.375 -4.128 1.00 0.00 H new ATOM 0 HA GLU B 10 1.781 -5.479 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.114 -7.641 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.595 -6.859 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU B 10 1.937 -8.182 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.420 -9.261 -3.831 1.00 0.00 H new ATOM 1001 N LEU B 11 3.310 -5.138 -1.621 1.00 0.00 N ATOM 1002 CA LEU B 11 3.544 -4.260 -0.463 1.00 0.00 C ATOM 1003 C LEU B 11 4.005 -2.860 -0.900 1.00 0.00 C ATOM 1004 O LEU B 11 3.583 -1.844 -0.345 1.00 0.00 O ATOM 1005 CB LEU B 11 4.468 -5.009 0.532 1.00 0.00 C ATOM 1006 CG LEU B 11 5.729 -4.275 1.025 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.434 -3.280 2.148 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.754 -5.277 1.554 1.00 0.00 C ATOM 0 H LEU B 11 3.922 -5.954 -1.626 1.00 0.00 H new ATOM 0 HA LEU B 11 2.620 -4.048 0.075 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.873 -5.279 1.405 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.784 -5.940 0.061 1.00 0.00 H new ATOM 0 HG LEU B 11 6.115 -3.730 0.164 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.360 -2.793 2.455 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.729 -2.528 1.792 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.003 -3.808 2.998 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.640 -4.744 1.899 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.321 -5.836 2.383 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.033 -5.967 0.758 1.00 0.00 H new ATOM 1020 N GLN B 12 4.796 -2.819 -1.970 1.00 0.00 N ATOM 1021 CA GLN B 12 5.294 -1.613 -2.620 1.00 0.00 C ATOM 1022 C GLN B 12 4.170 -0.791 -3.288 1.00 0.00 C ATOM 1023 O GLN B 12 4.356 0.399 -3.551 1.00 0.00 O ATOM 1024 CB GLN B 12 6.411 -2.014 -3.606 1.00 0.00 C ATOM 1025 CG GLN B 12 7.546 -0.982 -3.670 1.00 0.00 C ATOM 1026 CD GLN B 12 8.745 -1.483 -4.481 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.622 -2.134 -5.511 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.960 -1.219 -4.045 1.00 0.00 N ATOM 0 H GLN B 12 5.122 -3.670 -2.429 1.00 0.00 H new ATOM 0 HA GLN B 12 5.710 -0.944 -1.866 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.821 -2.980 -3.311 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.984 -2.140 -4.601 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.170 -0.060 -4.114 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.871 -0.740 -2.658 1.00 0.00 H new ATOM 0 HE21 GLN B 12 10.089 -0.679 -3.190 1.00 0.00 H new ATOM 0 HE22 GLN B 12 10.772 -1.555 -4.563 1.00 0.00 H new ATOM 1037 N GLY B 13 2.988 -1.392 -3.501 1.00 0.00 N ATOM 1038 CA GLY B 13 1.766 -0.710 -3.934 1.00 0.00 C ATOM 1039 C GLY B 13 0.814 -0.381 -2.777 1.00 0.00 C ATOM 1040 O GLY B 13 0.302 0.739 -2.732 1.00 0.00 O ATOM 0 H GLY B 13 2.857 -2.395 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY B 13 2.035 0.213 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.245 -1.337 -4.657 1.00 0.00 H new ATOM 1044 N ILE B 14 0.632 -1.288 -1.800 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.274 -1.086 -0.636 1.00 0.00 C ATOM 1046 C ILE B 14 -0.003 0.269 0.040 1.00 0.00 C ATOM 1047 O ILE B 14 -0.914 1.070 0.264 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.128 -2.223 0.408 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.641 -3.561 -0.153 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -0.903 -1.918 1.707 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.268 -4.781 0.695 1.00 0.00 C ATOM 0 H ILE B 14 1.109 -2.190 -1.789 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.294 -1.100 -1.020 1.00 0.00 H new ATOM 0 HB ILE B 14 0.936 -2.293 0.632 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.726 -3.513 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.244 -3.697 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.773 -2.741 2.410 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.522 -0.998 2.151 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -1.962 -1.799 1.479 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.667 -5.683 0.231 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.817 -4.858 0.764 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.688 -4.671 1.695 1.00 0.00 H new ATOM 1063 N LYS B 15 1.275 0.530 0.339 1.00 0.00 N ATOM 1064 CA LYS B 15 1.742 1.703 1.086 1.00 0.00 C ATOM 1065 C LYS B 15 1.694 3.017 0.292 1.00 0.00 C ATOM 1066 O LYS B 15 1.617 4.087 0.894 1.00 0.00 O ATOM 1067 CB LYS B 15 3.154 1.402 1.637 1.00 0.00 C ATOM 1068 CG LYS B 15 3.221 1.495 3.169 1.00 0.00 C ATOM 1069 CD LYS B 15 4.490 0.806 3.697 1.00 0.00 C ATOM 1070 CE LYS B 15 4.716 1.050 5.194 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.331 2.378 5.457 1.00 0.00 N ATOM 0 H LYS B 15 2.036 -0.089 0.059 1.00 0.00 H new ATOM 0 HA LYS B 15 1.048 1.874 1.909 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.457 0.403 1.323 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.867 2.103 1.202 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.214 2.541 3.476 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.338 1.028 3.606 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.419 -0.266 3.514 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.354 1.168 3.139 1.00 0.00 H new ATOM 0 HE2 LYS B 15 3.764 0.981 5.720 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.359 0.267 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.466 2.501 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.252 2.435 4.977 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 4.706 3.127 5.098 1.00 0.00 H new ATOM 1085 N GLN B 16 1.689 2.945 -1.042 1.00 0.00 N ATOM 1086 CA GLN B 16 1.511 4.093 -1.934 1.00 0.00 C ATOM 1087 C GLN B 16 0.041 4.454 -2.127 1.00 0.00 C ATOM 1088 O GLN B 16 -0.311 5.634 -2.144 1.00 0.00 O ATOM 1089 CB GLN B 16 2.143 3.778 -3.301 1.00 0.00 C ATOM 1090 CG GLN B 16 3.619 4.194 -3.413 1.00 0.00 C ATOM 1091 CD GLN B 16 3.861 5.019 -4.677 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.275 4.522 -5.716 1.00 0.00 O ATOM 1093 NE2 GLN B 16 3.579 6.306 -4.646 1.00 0.00 N ATOM 0 H GLN B 16 1.812 2.065 -1.543 1.00 0.00 H new ATOM 0 HA GLN B 16 2.002 4.949 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN B 16 2.061 2.708 -3.491 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.572 4.284 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.905 4.774 -2.536 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.251 3.306 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.233 6.732 -3.786 1.00 0.00 H new ATOM 0 HE22 GLN B 16 3.706 6.876 -5.482 1.00 0.00 H new ATOM 1102 N TYR B 17 -0.832 3.453 -2.219 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.262 3.667 -2.400 1.00 0.00 C ATOM 1104 C TYR B 17 -2.904 4.473 -1.270 1.00 0.00 C ATOM 1105 O TYR B 17 -3.817 5.259 -1.533 1.00 0.00 O ATOM 1106 CB TYR B 17 -2.964 2.313 -2.512 1.00 0.00 C ATOM 1107 CG TYR B 17 -2.897 1.638 -3.866 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.197 2.359 -5.039 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.586 0.266 -3.946 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.127 1.721 -6.287 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.532 -0.379 -5.196 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.803 0.351 -6.371 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.834 -0.277 -7.572 1.00 0.00 O ATOM 0 H TYR B 17 -0.565 2.470 -2.170 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.380 4.251 -3.313 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.532 1.640 -1.771 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.013 2.447 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.480 3.399 -4.978 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.388 -0.294 -3.044 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.322 2.283 -7.189 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.284 -1.429 -5.255 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.959 -1.239 -7.435 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.424 4.322 -0.026 1.00 0.00 N ATOM 1124 CA ARG B 18 -2.987 5.089 1.098 1.00 0.00 C ATOM 1125 C ARG B 18 -2.674 6.591 1.006 1.00 0.00 C ATOM 1126 O ARG B 18 -3.430 7.412 1.522 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.572 4.503 2.459 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.789 4.385 3.398 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.430 4.422 4.891 1.00 0.00 C ATOM 1130 NE ARG B 18 -2.501 3.349 5.306 1.00 0.00 N ATOM 1131 CZ ARG B 18 -2.809 2.126 5.701 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -4.024 1.657 5.651 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -1.885 1.339 6.171 1.00 0.00 N ATOM 0 H ARG B 18 -1.664 3.690 0.225 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.070 4.993 1.020 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.121 3.521 2.315 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.814 5.138 2.917 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.483 5.197 3.181 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.312 3.453 3.183 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.982 5.388 5.124 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -4.345 4.345 5.478 1.00 0.00 H new ATOM 0 HE ARG B 18 -1.508 3.579 5.285 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -4.782 2.241 5.296 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -4.217 0.706 5.966 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -0.921 1.666 6.235 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -2.125 0.395 6.475 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.583 6.953 0.326 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.162 8.342 0.083 1.00 0.00 C ATOM 1149 C GLU B 19 -1.964 9.017 -1.048 1.00 0.00 C ATOM 1150 O GLU B 19 -2.250 10.211 -1.005 1.00 0.00 O ATOM 1151 CB GLU B 19 0.329 8.311 -0.297 1.00 0.00 C ATOM 1152 CG GLU B 19 1.054 9.624 0.022 1.00 0.00 C ATOM 1153 CD GLU B 19 2.538 9.585 -0.400 1.00 0.00 C ATOM 1154 OE1 GLU B 19 3.260 8.614 -0.060 1.00 0.00 O ATOM 1155 OE2 GLU B 19 3.012 10.544 -1.057 1.00 0.00 O ATOM 0 H GLU B 19 -0.947 6.270 -0.084 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.342 8.925 0.986 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.817 7.494 0.234 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.423 8.100 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.554 10.447 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.987 9.824 1.091 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.341 8.241 -2.064 1.00 0.00 N ATOM 1163 CA ALA B 20 -2.926 8.686 -3.329 1.00 0.00 C ATOM 1164 C ALA B 20 -4.344 9.254 -3.193 1.00 0.00 C ATOM 1165 O ALA B 20 -4.727 10.124 -3.977 1.00 0.00 O ATOM 1166 CB ALA B 20 -2.904 7.501 -4.305 1.00 0.00 C ATOM 0 H ALA B 20 -2.241 7.227 -2.024 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.326 9.516 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.336 7.807 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.875 7.176 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.486 6.678 -3.891 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.106 8.830 -2.176 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.442 9.376 -1.895 1.00 0.00 C ATOM 1174 C LEU B 21 -6.410 10.879 -1.623 1.00 0.00 C ATOM 1175 O LEU B 21 -7.409 11.557 -1.848 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.076 8.668 -0.682 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.559 8.247 -0.680 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.148 8.368 0.723 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.468 9.108 -1.522 1.00 0.00 C ATOM 0 H LEU B 21 -4.815 8.100 -1.526 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.040 9.199 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.491 7.767 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.931 9.322 0.178 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.530 7.232 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.195 8.067 0.705 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -8.596 7.722 1.406 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.074 9.402 1.061 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.489 8.732 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -9.435 10.135 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -9.137 9.079 -2.560 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.270 11.417 -1.175 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.161 12.872 -0.998 1.00 0.00 C ATOM 1193 C GLU B 22 -5.353 13.649 -2.311 1.00 0.00 C ATOM 1194 O GLU B 22 -5.790 14.802 -2.289 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.823 13.245 -0.352 1.00 0.00 C ATOM 1196 CG GLU B 22 -3.928 13.398 1.172 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.670 14.694 1.569 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -5.926 14.712 1.576 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -3.999 15.709 1.882 1.00 0.00 O ATOM 0 H GLU B 22 -4.432 10.887 -0.934 1.00 0.00 H new ATOM 0 HA GLU B 22 -5.974 13.163 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.084 12.479 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.463 14.179 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.451 12.537 1.588 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -2.928 13.404 1.606 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.091 13.000 -3.450 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.215 13.567 -4.792 1.00 0.00 C ATOM 1208 C TYR B 23 -6.401 12.997 -5.591 1.00 0.00 C ATOM 1209 O TYR B 23 -7.056 13.758 -6.305 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.885 13.358 -5.531 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.656 13.657 -4.684 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.521 14.909 -4.050 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.693 12.651 -4.461 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.437 15.154 -3.187 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.604 12.895 -3.602 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.473 14.145 -2.960 1.00 0.00 C ATOM 1217 OH TYR B 23 0.576 14.372 -2.123 1.00 0.00 O ATOM 0 H TYR B 23 -4.775 12.030 -3.460 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.430 14.631 -4.694 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.832 12.326 -5.879 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -3.868 13.994 -6.416 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.253 15.683 -4.227 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.791 11.693 -4.949 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.341 16.112 -2.698 1.00 0.00 H new ATOM 0 HE2 TYR B 23 0.133 12.123 -3.434 1.00 0.00 H new ATOM 0 HH TYR B 23 1.141 13.572 -2.082 1.00 0.00 H new ATOM 1227 N THR B 24 -6.738 11.702 -5.462 1.00 0.00 N ATOM 1228 CA THR B 24 -7.929 11.137 -6.141 1.00 0.00 C ATOM 1229 C THR B 24 -9.240 11.541 -5.461 1.00 0.00 C ATOM 1230 O THR B 24 -10.264 11.671 -6.126 1.00 0.00 O ATOM 1231 CB THR B 24 -7.917 9.601 -6.257 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.179 9.001 -5.009 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.618 9.014 -6.800 1.00 0.00 C ATOM 0 H THR B 24 -6.213 11.030 -4.902 1.00 0.00 H new ATOM 0 HA THR B 24 -7.874 11.564 -7.143 1.00 0.00 H new ATOM 0 HB THR B 24 -8.702 9.378 -6.979 1.00 0.00 H new ATOM 0 HG1 THR B 24 -8.168 8.026 -5.106 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.701 7.928 -6.847 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.431 9.407 -7.799 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.793 9.287 -6.142 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.228 11.716 -4.138 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.394 11.819 -3.247 1.00 0.00 C ATOM 1243 C HIS B 25 -11.504 10.709 -3.432 1.00 0.00 C ATOM 1244 O HIS B 25 -12.648 10.918 -3.024 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.900 13.275 -3.159 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.250 13.962 -1.974 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.664 13.857 -0.654 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.002 14.521 -1.967 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.682 14.341 0.135 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.667 14.764 -0.645 1.00 0.00 N ATOM 0 H HIS B 25 -8.350 11.795 -3.624 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.038 11.563 -2.249 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.664 13.810 -4.079 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -11.985 13.289 -3.052 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.391 14.734 -2.832 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.705 14.383 1.214 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.800 15.190 -0.318 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.221 9.545 -4.059 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.203 8.519 -4.527 1.00 0.00 C ATOM 1261 C ASN B 26 -12.455 7.280 -3.615 1.00 0.00 C ATOM 1262 O ASN B 26 -11.560 6.860 -2.880 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.737 7.997 -5.905 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.408 8.713 -7.054 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.359 8.234 -7.652 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -11.938 9.881 -7.393 1.00 0.00 N ATOM 0 H ASN B 26 -10.259 9.275 -4.266 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.154 9.052 -4.535 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.657 8.116 -5.988 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.946 6.930 -5.975 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.365 10.399 -8.161 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.144 10.277 -6.890 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.614 6.587 -3.771 1.00 0.00 N ATOM 1274 CA PRO B 27 -13.918 5.295 -3.127 1.00 0.00 C ATOM 1275 C PRO B 27 -13.189 4.087 -3.746 1.00 0.00 C ATOM 1276 O PRO B 27 -13.196 3.002 -3.171 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.434 5.114 -3.289 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.719 5.804 -4.618 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.763 6.994 -4.582 1.00 0.00 C ATOM 0 HA PRO B 27 -13.580 5.324 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.715 4.061 -3.312 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.986 5.573 -2.469 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.520 5.149 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.759 6.121 -4.696 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.448 7.268 -5.589 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.250 7.869 -4.151 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.561 4.237 -4.915 1.00 0.00 N ATOM 1288 CA VAL B 28 -11.890 3.137 -5.646 1.00 0.00 C ATOM 1289 C VAL B 28 -10.743 2.507 -4.871 1.00 0.00 C ATOM 1290 O VAL B 28 -10.515 1.300 -4.930 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.408 3.651 -7.010 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -10.115 4.482 -6.964 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -11.260 2.479 -7.968 1.00 0.00 C ATOM 0 H VAL B 28 -12.498 5.135 -5.395 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.625 2.344 -5.783 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.173 4.343 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -9.852 4.802 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.268 5.358 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -9.307 3.876 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -10.918 2.842 -8.937 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -10.533 1.772 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.223 1.982 -8.086 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.040 3.323 -4.094 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.950 2.884 -3.240 1.00 0.00 C ATOM 1305 C LEU B 29 -9.474 1.947 -2.127 1.00 0.00 C ATOM 1306 O LEU B 29 -8.799 0.977 -1.790 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.222 4.149 -2.748 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.534 4.970 -3.864 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -7.056 6.315 -3.344 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.349 4.243 -4.493 1.00 0.00 C ATOM 0 H LEU B 29 -10.217 4.326 -4.041 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.222 2.273 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.939 4.789 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.471 3.858 -2.013 1.00 0.00 H new ATOM 0 HG LEU B 29 -8.295 5.113 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -6.577 6.868 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -7.907 6.884 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -6.340 6.160 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.908 4.869 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -5.602 4.034 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -6.689 3.306 -4.933 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.731 2.113 -1.689 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.462 1.170 -0.826 1.00 0.00 C ATOM 1324 C ALA B 30 -11.899 -0.141 -1.535 1.00 0.00 C ATOM 1325 O ALA B 30 -12.658 -0.931 -0.970 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.653 1.890 -0.175 1.00 0.00 C ATOM 0 H ALA B 30 -11.286 2.934 -1.933 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.765 0.840 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.195 1.193 0.464 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.290 2.725 0.425 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.320 2.264 -0.951 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.402 -0.400 -2.753 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.451 -1.686 -3.455 1.00 0.00 C ATOM 1334 C LYS B 31 -10.049 -2.136 -3.873 1.00 0.00 C ATOM 1335 O LYS B 31 -9.655 -3.249 -3.545 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.413 -1.605 -4.661 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.281 -2.865 -4.817 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.502 -2.842 -3.887 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.312 -4.133 -4.033 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.637 -4.031 -3.370 1.00 0.00 N ATOM 0 H LYS B 31 -10.931 0.320 -3.301 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.839 -2.441 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -13.060 -0.736 -4.546 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -11.834 -1.453 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.615 -2.949 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -12.679 -3.748 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.177 -2.725 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -15.130 -1.983 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -15.451 -4.357 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -14.753 -4.964 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.155 -4.924 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.504 -3.842 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.181 -3.255 -3.798 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.259 -1.253 -4.494 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.883 -1.553 -4.944 1.00 0.00 C ATOM 1356 C ILE B 32 -6.990 -1.909 -3.759 1.00 0.00 C ATOM 1357 O ILE B 32 -6.632 -3.076 -3.600 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.284 -0.407 -5.781 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.128 -0.047 -7.021 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.880 -0.811 -6.261 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.855 1.404 -7.419 1.00 0.00 C ATOM 0 H ILE B 32 -9.554 -0.299 -4.703 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.936 -2.423 -5.599 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.258 0.469 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -7.883 -0.714 -7.847 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.188 -0.183 -6.805 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.452 -0.003 -6.854 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.243 -1.005 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.949 -1.712 -6.871 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.451 1.659 -8.295 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.122 2.064 -6.594 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.797 1.524 -7.652 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.661 -0.934 -2.903 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.795 -1.179 -1.749 1.00 0.00 C ATOM 1375 C LEU B 33 -6.473 -2.092 -0.733 1.00 0.00 C ATOM 1376 O LEU B 33 -5.788 -2.863 -0.064 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.234 0.137 -1.183 1.00 0.00 C ATOM 1378 CG LEU B 33 -5.952 0.807 0.004 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.569 0.230 1.374 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.605 2.293 0.066 1.00 0.00 C ATOM 0 H LEU B 33 -6.982 0.030 -2.990 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.914 -1.735 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.203 -0.048 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.203 0.859 -1.999 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.011 0.625 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.117 0.755 2.156 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.819 -0.830 1.405 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.498 0.355 1.535 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.120 2.752 0.910 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.529 2.410 0.190 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.918 2.779 -0.858 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.809 -2.069 -0.678 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.557 -3.024 0.134 1.00 0.00 C ATOM 1394 C GLU B 34 -8.251 -4.477 -0.262 1.00 0.00 C ATOM 1395 O GLU B 34 -8.083 -5.306 0.629 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.066 -2.731 0.127 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.801 -3.644 1.125 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.266 -3.227 1.357 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.512 -2.304 2.173 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.182 -3.872 0.789 1.00 0.00 O ATOM 0 H GLU B 34 -8.389 -1.401 -1.185 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.218 -2.898 1.162 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.240 -1.686 0.385 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.466 -2.882 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.775 -4.670 0.757 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.271 -3.633 2.077 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.110 -4.804 -1.554 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.772 -6.162 -1.977 1.00 0.00 C ATOM 1409 C ASP B 35 -6.299 -6.522 -1.757 1.00 0.00 C ATOM 1410 O ASP B 35 -6.007 -7.581 -1.194 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.090 -6.354 -3.459 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.565 -6.235 -3.877 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.471 -6.548 -3.064 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.795 -5.891 -5.064 1.00 0.00 O ATOM 0 H ASP B 35 -8.226 -4.143 -2.322 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.377 -6.821 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.517 -5.621 -4.026 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.732 -7.339 -3.758 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.360 -5.643 -2.133 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.931 -5.863 -1.878 1.00 0.00 C ATOM 1421 C GLU B 36 -3.632 -6.110 -0.385 1.00 0.00 C ATOM 1422 O GLU B 36 -2.674 -6.808 -0.058 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.114 -4.649 -2.350 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.354 -4.099 -3.761 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.086 -5.060 -4.909 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.638 -6.213 -4.723 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.360 -4.711 -6.081 1.00 0.00 O ATOM 0 H GLU B 36 -5.567 -4.769 -2.617 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.647 -6.755 -2.436 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.292 -3.837 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.059 -4.912 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.390 -3.766 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.726 -3.218 -3.897 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.481 -5.602 0.519 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.335 -5.772 1.973 1.00 0.00 C ATOM 1436 C GLU B 37 -4.464 -7.248 2.394 1.00 0.00 C ATOM 1437 O GLU B 37 -3.834 -7.684 3.362 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.396 -4.923 2.698 1.00 0.00 C ATOM 1439 CG GLU B 37 -5.124 -4.667 4.185 1.00 0.00 C ATOM 1440 CD GLU B 37 -4.036 -3.602 4.414 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -2.829 -3.943 4.388 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -4.378 -2.418 4.653 1.00 0.00 O ATOM 0 H GLU B 37 -5.300 -5.054 0.258 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.336 -5.438 2.253 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.479 -3.962 2.190 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.362 -5.418 2.602 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -6.047 -4.348 4.670 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.820 -5.599 4.661 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.248 -8.033 1.637 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.371 -9.488 1.801 1.00 0.00 C ATOM 1451 C LYS B 38 -4.347 -10.237 0.979 1.00 0.00 C ATOM 1452 O LYS B 38 -3.754 -11.179 1.488 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.750 -10.013 1.369 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.927 -9.414 2.137 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.563 -8.223 1.411 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.746 -8.640 0.530 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.986 -8.821 1.329 1.00 0.00 N ATOM 0 H LYS B 38 -5.824 -7.666 0.880 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.217 -9.662 2.866 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.885 -9.810 0.307 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.767 -11.096 1.491 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.682 -10.184 2.294 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.588 -9.094 3.122 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -8.900 -7.491 2.145 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -7.810 -7.732 0.795 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.914 -7.884 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.506 -9.570 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.766 -9.103 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -10.833 -9.560 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.228 -7.927 1.801 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.155 -9.841 -0.281 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.479 -10.601 -1.316 1.00 0.00 C ATOM 1473 C HIS B 39 -2.156 -11.242 -0.891 1.00 0.00 C ATOM 1474 O HIS B 39 -1.949 -12.422 -1.152 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.223 -9.632 -2.451 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.333 -9.329 -3.408 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.122 -8.632 -4.600 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.646 -9.677 -3.307 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.332 -8.583 -5.191 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.252 -9.225 -4.454 1.00 0.00 N ATOM 0 H HIS B 39 -4.486 -8.936 -0.616 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.119 -11.440 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.900 -8.688 -2.012 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.384 -10.018 -3.031 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.244 -8.245 -4.947 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.116 -10.203 -2.489 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.534 -8.093 -6.132 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.233 -9.355 -4.703 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.275 -10.495 -0.222 1.00 0.00 N ATOM 1489 CA ILE B 40 0.028 -11.028 0.226 1.00 0.00 C ATOM 1490 C ILE B 40 -0.160 -12.230 1.161 1.00 0.00 C ATOM 1491 O ILE B 40 0.409 -13.298 0.931 1.00 0.00 O ATOM 1492 CB ILE B 40 0.873 -9.926 0.908 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.084 -8.736 -0.049 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.241 -10.477 1.357 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.819 -7.552 0.585 1.00 0.00 C ATOM 0 H ILE B 40 -1.434 -9.518 0.025 1.00 0.00 H new ATOM 0 HA ILE B 40 0.569 -11.370 -0.656 1.00 0.00 H new ATOM 0 HB ILE B 40 0.327 -9.586 1.788 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.647 -9.077 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.113 -8.397 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.815 -9.682 1.833 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.090 -11.291 2.066 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.786 -10.848 0.489 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.929 -6.756 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.248 -7.183 1.437 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.805 -7.873 0.921 1.00 0.00 H new ATOM 1507 N GLU B 41 -0.998 -12.080 2.188 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.335 -13.169 3.106 1.00 0.00 C ATOM 1509 C GLU B 41 -2.209 -14.246 2.459 1.00 0.00 C ATOM 1510 O GLU B 41 -1.994 -15.422 2.729 1.00 0.00 O ATOM 1511 CB GLU B 41 -1.964 -12.623 4.395 1.00 0.00 C ATOM 1512 CG GLU B 41 -0.880 -12.347 5.443 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.477 -11.791 6.748 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.024 -12.580 7.556 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -1.391 -10.563 6.987 1.00 0.00 O ATOM 0 H GLU B 41 -1.463 -11.199 2.407 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.399 -13.663 3.368 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.512 -11.706 4.180 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.684 -13.340 4.788 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.336 -13.268 5.655 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.158 -11.636 5.041 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.119 -13.894 1.547 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.848 -14.853 0.712 1.00 0.00 C ATOM 1524 C TRP B 42 -2.904 -15.824 -0.018 1.00 0.00 C ATOM 1525 O TRP B 42 -3.094 -17.037 0.090 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.766 -14.076 -0.247 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.127 -13.714 0.253 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.604 -13.912 1.502 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.209 -13.082 -0.496 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.920 -13.494 1.563 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.340 -12.952 0.364 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.337 -12.587 -1.813 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.537 -12.357 -0.063 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.524 -11.966 -2.246 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.626 -11.858 -1.377 1.00 0.00 C ATOM 0 H TRP B 42 -3.374 -12.923 1.365 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.466 -15.488 1.347 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.255 -13.156 -0.532 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.886 -14.669 -1.154 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -6.044 -14.332 2.325 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.509 -13.576 2.392 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.510 -12.687 -2.500 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.380 -12.283 0.608 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.589 -11.571 -3.249 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.539 -11.393 -1.718 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.850 -15.330 -0.684 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.835 -16.191 -1.313 1.00 0.00 C ATOM 1548 C LEU B 43 -0.091 -17.037 -0.264 1.00 0.00 C ATOM 1549 O LEU B 43 0.077 -18.245 -0.429 1.00 0.00 O ATOM 1550 CB LEU B 43 0.179 -15.340 -2.097 1.00 0.00 C ATOM 1551 CG LEU B 43 -0.425 -14.485 -3.219 1.00 0.00 C ATOM 1552 CD1 LEU B 43 0.574 -13.421 -3.651 1.00 0.00 C ATOM 1553 CD2 LEU B 43 -0.818 -15.274 -4.465 1.00 0.00 C ATOM 0 H LEU B 43 -1.677 -14.332 -0.802 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.352 -16.863 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.697 -14.683 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.930 -16.002 -2.529 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.333 -14.055 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU B 43 0.140 -12.817 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.815 -12.782 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU B 43 1.483 -13.901 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -1.236 -14.595 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.063 -15.766 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -1.562 -16.025 -4.200 1.00 0.00 H new ATOM 1565 N GLU B 44 0.344 -16.402 0.827 1.00 0.00 N ATOM 1566 CA GLU B 44 1.157 -17.051 1.867 1.00 0.00 C ATOM 1567 C GLU B 44 0.414 -18.152 2.655 1.00 0.00 C ATOM 1568 O GLU B 44 1.017 -19.174 2.990 1.00 0.00 O ATOM 1569 CB GLU B 44 1.747 -15.998 2.822 1.00 0.00 C ATOM 1570 CG GLU B 44 3.111 -16.448 3.361 1.00 0.00 C ATOM 1571 CD GLU B 44 3.657 -15.476 4.422 1.00 0.00 C ATOM 1572 OE1 GLU B 44 4.084 -14.350 4.071 1.00 0.00 O ATOM 1573 OE2 GLU B 44 3.682 -15.836 5.626 1.00 0.00 O ATOM 0 H GLU B 44 0.143 -15.420 1.018 1.00 0.00 H new ATOM 0 HA GLU B 44 1.964 -17.562 1.342 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.854 -15.047 2.300 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.061 -15.830 3.652 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.020 -17.444 3.794 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.821 -16.522 2.537 1.00 0.00 H new ATOM 1580 N THR B 45 -0.893 -18.004 2.910 1.00 0.00 N ATOM 1581 CA THR B 45 -1.723 -19.010 3.607 1.00 0.00 C ATOM 1582 C THR B 45 -1.775 -20.355 2.864 1.00 0.00 C ATOM 1583 O THR B 45 -1.938 -21.397 3.498 1.00 0.00 O ATOM 1584 CB THR B 45 -3.139 -18.451 3.867 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.070 -17.349 4.751 1.00 0.00 O ATOM 1586 CG2 THR B 45 -4.119 -19.428 4.522 1.00 0.00 C ATOM 0 H THR B 45 -1.416 -17.172 2.636 1.00 0.00 H new ATOM 0 HA THR B 45 -1.248 -19.214 4.566 1.00 0.00 H new ATOM 0 HB THR B 45 -3.506 -18.202 2.871 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.723 -16.567 4.273 1.00 0.00 H new ATOM 0 HG21 THR B 45 -5.083 -18.938 4.661 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.245 -20.301 3.882 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.728 -19.741 5.490 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.564 -20.379 1.543 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.469 -21.628 0.764 1.00 0.00 C ATOM 1596 C ILE B 46 -0.180 -22.404 1.078 1.00 0.00 C ATOM 1597 O ILE B 46 -0.187 -23.635 1.145 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.547 -21.328 -0.750 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.748 -20.441 -1.138 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.582 -22.624 -1.575 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -4.102 -20.842 -0.528 1.00 0.00 C ATOM 0 H ILE B 46 -1.454 -19.536 0.980 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.314 -22.254 1.053 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.640 -20.769 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.528 -19.415 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.844 -20.447 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.637 -22.379 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.678 -23.202 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.456 -23.211 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.873 -20.151 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.357 -21.854 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -4.036 -20.806 0.559 1.00 0.00 H new