USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=17 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+ -173:sc= 2.05 (180deg=1.89) 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 -174:sc= -0.077 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -100:sc= -0.467 USER MOD Single : A 25 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.829 K(o=0.83,f=-0.59) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.15) USER MOD Single : A 39 HIS : +bothHN:sc= 0.0874 K(o=0.087,f=-6.4!) USER MOD Single : A 45 THR OG1 : rot 81:sc= 0.0444 USER MOD Single : B 1 ASP N :NH3+ -176:sc= 0 (180deg=-0.0317) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0434) 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 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot -163:sc= 0.782 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -130:sc= 0.0218 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.16) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 171:sc= 0.17 (180deg=0.143) USER MOD Single : B 39 HIS : +bothHN:sc= -0.081 K(o=-0.081,f=-4.9!) USER MOD Single : B 45 THR OG1 : rot 76:sc= 0.0922 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 3.379 10.517 -11.013 1.00 0.00 N ATOM 20 CA TYR A 2 2.925 9.540 -10.016 1.00 0.00 C ATOM 21 C TYR A 2 1.850 8.569 -10.526 1.00 0.00 C ATOM 22 O TYR A 2 1.902 7.378 -10.225 1.00 0.00 O ATOM 23 CB TYR A 2 2.401 10.333 -8.808 1.00 0.00 C ATOM 24 CG TYR A 2 2.058 9.508 -7.582 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.759 8.985 -7.409 1.00 0.00 C ATOM 26 CD2 TYR A 2 3.036 9.303 -6.591 1.00 0.00 C ATOM 27 CE1 TYR A 2 0.441 8.249 -6.249 1.00 0.00 C ATOM 28 CE2 TYR A 2 2.721 8.573 -5.431 1.00 0.00 C ATOM 29 CZ TYR A 2 1.428 8.037 -5.259 1.00 0.00 C ATOM 30 OH TYR A 2 1.160 7.327 -4.131 1.00 0.00 O ATOM 0 HA TYR A 2 3.771 8.905 -9.755 1.00 0.00 H new ATOM 0 HB2 TYR A 2 3.151 11.072 -8.528 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.511 10.882 -9.115 1.00 0.00 H new ATOM 0 HD1 TYR A 2 0.007 9.149 -8.166 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.029 9.707 -6.721 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.553 7.849 -6.117 1.00 0.00 H new ATOM 0 HE2 TYR A 2 3.472 8.422 -4.669 1.00 0.00 H new ATOM 0 HH TYR A 2 1.963 7.288 -3.571 1.00 0.00 H new ATOM 40 N LEU A 3 0.890 9.060 -11.319 1.00 0.00 N ATOM 41 CA LEU A 3 -0.223 8.252 -11.836 1.00 0.00 C ATOM 42 C LEU A 3 0.256 7.202 -12.847 1.00 0.00 C ATOM 43 O LEU A 3 -0.164 6.043 -12.791 1.00 0.00 O ATOM 44 CB LEU A 3 -1.292 9.155 -12.473 1.00 0.00 C ATOM 45 CG LEU A 3 -1.965 10.119 -11.481 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.888 11.068 -12.244 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.800 9.394 -10.421 1.00 0.00 C ATOM 0 H LEU A 3 0.863 10.034 -11.622 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.662 7.721 -10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.833 9.735 -13.274 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.057 8.528 -12.931 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.165 10.657 -10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.366 11.752 -11.543 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.306 11.638 -12.968 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.651 10.491 -12.766 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.250 10.125 -9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.586 8.817 -10.909 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.159 8.723 -9.849 1.00 0.00 H new ATOM 59 N ARG A 4 1.183 7.593 -13.736 1.00 0.00 N ATOM 60 CA ARG A 4 1.879 6.662 -14.636 1.00 0.00 C ATOM 61 C ARG A 4 2.699 5.664 -13.833 1.00 0.00 C ATOM 62 O ARG A 4 2.588 4.470 -14.085 1.00 0.00 O ATOM 63 CB ARG A 4 2.757 7.416 -15.650 1.00 0.00 C ATOM 64 CG ARG A 4 3.325 6.458 -16.714 1.00 0.00 C ATOM 65 CD ARG A 4 4.252 7.189 -17.692 1.00 0.00 C ATOM 66 NE ARG A 4 4.722 6.289 -18.767 1.00 0.00 N ATOM 67 CZ ARG A 4 4.118 6.033 -19.916 1.00 0.00 C ATOM 68 NH1 ARG A 4 2.973 6.568 -20.236 1.00 0.00 N ATOM 69 NH2 ARG A 4 4.658 5.220 -20.778 1.00 0.00 N ATOM 0 H ARG A 4 1.471 8.565 -13.850 1.00 0.00 H new ATOM 0 HA ARG A 4 1.129 6.111 -15.203 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.170 8.196 -16.135 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.576 7.912 -15.129 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.873 5.653 -16.225 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.505 5.997 -17.264 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.725 8.037 -18.130 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.109 7.591 -17.152 1.00 0.00 H new ATOM 0 HE ARG A 4 5.610 5.813 -18.605 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.511 7.209 -19.591 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.539 6.346 -21.132 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.552 4.776 -20.569 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.187 5.027 -21.662 1.00 0.00 H new ATOM 83 N GLU A 5 3.473 6.120 -12.846 1.00 0.00 N ATOM 84 CA GLU A 5 4.267 5.207 -12.014 1.00 0.00 C ATOM 85 C GLU A 5 3.403 4.150 -11.280 1.00 0.00 C ATOM 86 O GLU A 5 3.788 2.981 -11.201 1.00 0.00 O ATOM 87 CB GLU A 5 5.125 6.032 -11.047 1.00 0.00 C ATOM 88 CG GLU A 5 6.166 5.206 -10.286 1.00 0.00 C ATOM 89 CD GLU A 5 7.309 4.686 -11.187 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.111 3.690 -11.926 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.424 5.260 -11.145 1.00 0.00 O ATOM 0 H GLU A 5 3.568 7.106 -12.603 1.00 0.00 H new ATOM 0 HA GLU A 5 4.920 4.627 -12.666 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.635 6.816 -11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.472 6.527 -10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.590 5.815 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.672 4.358 -9.812 1.00 0.00 H new ATOM 98 N LEU A 6 2.205 4.531 -10.818 1.00 0.00 N ATOM 99 CA LEU A 6 1.208 3.636 -10.213 1.00 0.00 C ATOM 100 C LEU A 6 0.783 2.496 -11.161 1.00 0.00 C ATOM 101 O LEU A 6 0.842 1.316 -10.804 1.00 0.00 O ATOM 102 CB LEU A 6 -0.008 4.487 -9.759 1.00 0.00 C ATOM 103 CG LEU A 6 -0.378 4.293 -8.281 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.722 4.824 -7.357 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.658 5.057 -7.937 1.00 0.00 C ATOM 0 H LEU A 6 1.892 5.501 -10.856 1.00 0.00 H new ATOM 0 HA LEU A 6 1.656 3.144 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.211 5.540 -9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.869 4.233 -10.377 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.513 3.222 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.429 4.672 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.652 4.290 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.869 5.888 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.901 4.905 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.509 6.120 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.478 4.691 -8.555 1.00 0.00 H new ATOM 117 N LEU A 7 0.403 2.847 -12.393 1.00 0.00 N ATOM 118 CA LEU A 7 0.042 1.916 -13.469 1.00 0.00 C ATOM 119 C LEU A 7 1.213 1.028 -13.923 1.00 0.00 C ATOM 120 O LEU A 7 1.026 -0.167 -14.164 1.00 0.00 O ATOM 121 CB LEU A 7 -0.474 2.718 -14.677 1.00 0.00 C ATOM 122 CG LEU A 7 -1.809 3.442 -14.439 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.996 4.520 -15.502 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.991 2.473 -14.514 1.00 0.00 C ATOM 0 H LEU A 7 0.335 3.823 -12.680 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.727 1.254 -13.072 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.279 3.455 -14.956 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.588 2.042 -15.524 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.780 3.882 -13.442 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.942 5.035 -15.335 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.177 5.237 -15.441 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.003 4.060 -16.490 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.919 3.017 -14.341 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.020 2.010 -15.500 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.877 1.700 -13.754 1.00 0.00 H new ATOM 136 N LYS A 8 2.422 1.602 -14.022 1.00 0.00 N ATOM 137 CA LYS A 8 3.657 0.964 -14.522 1.00 0.00 C ATOM 138 C LYS A 8 4.261 -0.090 -13.573 1.00 0.00 C ATOM 139 O LYS A 8 5.422 -0.466 -13.736 1.00 0.00 O ATOM 140 CB LYS A 8 4.671 2.071 -14.877 1.00 0.00 C ATOM 141 CG LYS A 8 5.708 1.661 -15.945 1.00 0.00 C ATOM 142 CD LYS A 8 7.056 2.380 -15.769 1.00 0.00 C ATOM 143 CE LYS A 8 8.064 1.624 -14.884 1.00 0.00 C ATOM 144 NZ LYS A 8 7.617 1.432 -13.480 1.00 0.00 N ATOM 0 H LYS A 8 2.576 2.571 -13.743 1.00 0.00 H new ATOM 0 HA LYS A 8 3.395 0.392 -15.412 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.127 2.946 -15.232 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.198 2.370 -13.971 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.866 0.584 -15.897 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.310 1.881 -16.936 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.501 2.540 -16.751 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.876 3.364 -15.336 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.260 0.648 -15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.008 2.168 -14.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.393 1.024 -12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.344 2.350 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.801 0.788 -13.461 1.00 0.00 H new ATOM 158 N GLY A 9 3.510 -0.562 -12.576 1.00 0.00 N ATOM 159 CA GLY A 9 3.859 -1.729 -11.774 1.00 0.00 C ATOM 160 C GLY A 9 2.817 -2.823 -11.606 1.00 0.00 C ATOM 161 O GLY A 9 3.185 -3.996 -11.606 1.00 0.00 O ATOM 0 H GLY A 9 2.626 -0.133 -12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.748 -2.181 -12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.137 -1.379 -10.780 1.00 0.00 H new ATOM 165 N GLU A 10 1.529 -2.509 -11.518 1.00 0.00 N ATOM 166 CA GLU A 10 0.523 -3.587 -11.378 1.00 0.00 C ATOM 167 C GLU A 10 0.415 -4.529 -12.593 1.00 0.00 C ATOM 168 O GLU A 10 0.067 -5.698 -12.403 1.00 0.00 O ATOM 169 CB GLU A 10 -0.862 -3.048 -10.964 1.00 0.00 C ATOM 170 CG GLU A 10 -1.008 -2.917 -9.435 1.00 0.00 C ATOM 171 CD GLU A 10 -2.448 -3.117 -8.951 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.204 -4.028 -9.318 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.809 -2.895 -7.782 1.00 0.00 O ATOM 0 H GLU A 10 1.155 -1.560 -11.539 1.00 0.00 H new ATOM 0 HA GLU A 10 0.905 -4.204 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.023 -2.074 -11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.637 -3.714 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.363 -3.649 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.660 -1.931 -9.126 1.00 0.00 H new ATOM 180 N LEU A 11 0.785 -4.115 -13.815 1.00 0.00 N ATOM 181 CA LEU A 11 0.768 -5.034 -14.972 1.00 0.00 C ATOM 182 C LEU A 11 1.871 -6.105 -14.846 1.00 0.00 C ATOM 183 O LEU A 11 1.720 -7.237 -15.305 1.00 0.00 O ATOM 184 CB LEU A 11 0.812 -4.163 -16.256 1.00 0.00 C ATOM 185 CG LEU A 11 1.657 -4.690 -17.424 1.00 0.00 C ATOM 186 CD1 LEU A 11 0.993 -5.853 -18.168 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.907 -3.591 -18.458 1.00 0.00 C ATOM 0 H LEU A 11 1.095 -3.167 -14.029 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.146 -5.626 -15.017 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.210 -4.029 -16.610 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.187 -3.176 -15.984 1.00 0.00 H new ATOM 0 HG LEU A 11 2.587 -5.033 -16.970 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.640 -6.181 -18.982 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.831 -6.681 -17.478 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.036 -5.526 -18.574 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.508 -3.990 -19.275 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.954 -3.235 -18.849 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.438 -2.763 -17.988 1.00 0.00 H new ATOM 199 N GLN A 12 2.944 -5.772 -14.131 1.00 0.00 N ATOM 200 CA GLN A 12 4.111 -6.607 -13.882 1.00 0.00 C ATOM 201 C GLN A 12 3.793 -7.824 -12.984 1.00 0.00 C ATOM 202 O GLN A 12 4.594 -8.758 -12.900 1.00 0.00 O ATOM 203 CB GLN A 12 5.217 -5.697 -13.306 1.00 0.00 C ATOM 204 CG GLN A 12 6.620 -6.283 -13.504 1.00 0.00 C ATOM 205 CD GLN A 12 7.717 -5.304 -13.087 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.953 -5.049 -11.912 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.437 -4.723 -14.027 1.00 0.00 N ATOM 0 H GLN A 12 3.024 -4.858 -13.685 1.00 0.00 H new ATOM 0 HA GLN A 12 4.457 -7.054 -14.814 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.164 -4.719 -13.784 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.038 -5.542 -12.242 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.714 -7.201 -12.923 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.755 -6.553 -14.551 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.252 -4.926 -15.009 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.179 -4.071 -13.772 1.00 0.00 H new ATOM 216 N GLY A 13 2.609 -7.848 -12.354 1.00 0.00 N ATOM 217 CA GLY A 13 2.135 -8.949 -11.515 1.00 0.00 C ATOM 218 C GLY A 13 1.086 -9.821 -12.204 1.00 0.00 C ATOM 219 O GLY A 13 1.075 -11.031 -11.971 1.00 0.00 O ATOM 0 H GLY A 13 1.940 -7.080 -12.418 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.983 -9.570 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.713 -8.542 -10.596 1.00 0.00 H new ATOM 223 N ILE A 14 0.244 -9.258 -13.091 1.00 0.00 N ATOM 224 CA ILE A 14 -0.876 -10.029 -13.687 1.00 0.00 C ATOM 225 C ILE A 14 -0.369 -11.273 -14.432 1.00 0.00 C ATOM 226 O ILE A 14 -0.898 -12.373 -14.255 1.00 0.00 O ATOM 227 CB ILE A 14 -1.755 -9.157 -14.614 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.401 -7.996 -13.829 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.866 -9.998 -15.282 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.074 -6.958 -14.732 1.00 0.00 C ATOM 0 H ILE A 14 0.310 -8.291 -13.409 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.502 -10.360 -12.859 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.104 -8.750 -15.387 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.140 -8.400 -13.138 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.637 -7.504 -13.227 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.468 -9.359 -15.928 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.414 -10.792 -15.877 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.501 -10.438 -14.513 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.508 -6.169 -14.118 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.333 -6.527 -15.406 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.860 -7.438 -15.315 1.00 0.00 H new ATOM 242 N LYS A 15 0.686 -11.113 -15.242 1.00 0.00 N ATOM 243 CA LYS A 15 1.219 -12.207 -16.071 1.00 0.00 C ATOM 244 C LYS A 15 1.972 -13.280 -15.274 1.00 0.00 C ATOM 245 O LYS A 15 1.933 -14.454 -15.641 1.00 0.00 O ATOM 246 CB LYS A 15 2.051 -11.662 -17.248 1.00 0.00 C ATOM 247 CG LYS A 15 1.132 -11.220 -18.402 1.00 0.00 C ATOM 248 CD LYS A 15 1.924 -10.863 -19.669 1.00 0.00 C ATOM 249 CE LYS A 15 0.964 -10.664 -20.852 1.00 0.00 C ATOM 250 NZ LYS A 15 1.695 -10.420 -22.123 1.00 0.00 N ATOM 0 H LYS A 15 1.191 -10.232 -15.342 1.00 0.00 H new ATOM 0 HA LYS A 15 0.352 -12.722 -16.484 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.655 -10.819 -16.914 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.741 -12.429 -17.599 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.427 -12.019 -18.629 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.545 -10.357 -18.087 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.502 -9.954 -19.502 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.636 -11.656 -19.898 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.333 -11.546 -20.960 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.303 -9.822 -20.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.012 -10.291 -22.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.278 -9.564 -22.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.307 -11.234 -22.333 1.00 0.00 H new ATOM 264 N GLN A 16 2.591 -12.909 -14.153 1.00 0.00 N ATOM 265 CA GLN A 16 3.277 -13.825 -13.239 1.00 0.00 C ATOM 266 C GLN A 16 2.303 -14.698 -12.445 1.00 0.00 C ATOM 267 O GLN A 16 2.562 -15.881 -12.223 1.00 0.00 O ATOM 268 CB GLN A 16 4.144 -12.992 -12.282 1.00 0.00 C ATOM 269 CG GLN A 16 5.501 -12.582 -12.871 1.00 0.00 C ATOM 270 CD GLN A 16 6.525 -13.713 -12.776 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.706 -14.510 -13.688 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.224 -13.840 -11.665 1.00 0.00 N ATOM 0 H GLN A 16 2.631 -11.937 -13.847 1.00 0.00 H new ATOM 0 HA GLN A 16 3.893 -14.505 -13.828 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.595 -12.094 -11.999 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.313 -13.564 -11.369 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.373 -12.294 -13.915 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.877 -11.706 -12.343 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.084 -13.184 -10.897 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.904 -14.594 -11.574 1.00 0.00 H new ATOM 281 N TYR A 17 1.150 -14.148 -12.068 1.00 0.00 N ATOM 282 CA TYR A 17 0.088 -14.910 -11.419 1.00 0.00 C ATOM 283 C TYR A 17 -0.520 -15.990 -12.315 1.00 0.00 C ATOM 284 O TYR A 17 -0.856 -17.070 -11.824 1.00 0.00 O ATOM 285 CB TYR A 17 -1.012 -13.953 -10.962 1.00 0.00 C ATOM 286 CG TYR A 17 -0.742 -13.227 -9.658 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.419 -13.965 -8.504 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.865 -11.825 -9.579 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.220 -13.310 -7.278 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.657 -11.164 -8.353 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.337 -11.908 -7.197 1.00 0.00 C ATOM 292 OH TYR A 17 -0.224 -11.292 -5.989 1.00 0.00 O ATOM 0 H TYR A 17 0.927 -13.162 -12.204 1.00 0.00 H new ATOM 0 HA TYR A 17 0.540 -15.423 -10.570 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.173 -13.211 -11.744 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.940 -14.515 -10.860 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.324 -15.039 -8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.119 -11.256 -10.461 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.023 -13.882 -6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.742 -10.089 -8.297 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.418 -10.337 -6.089 1.00 0.00 H new ATOM 302 N ARG A 18 -0.641 -15.734 -13.624 1.00 0.00 N ATOM 303 CA ARG A 18 -1.194 -16.722 -14.569 1.00 0.00 C ATOM 304 C ARG A 18 -0.302 -17.958 -14.742 1.00 0.00 C ATOM 305 O ARG A 18 -0.804 -19.027 -15.087 1.00 0.00 O ATOM 306 CB ARG A 18 -1.570 -16.068 -15.913 1.00 0.00 C ATOM 307 CG ARG A 18 -3.097 -15.927 -16.025 1.00 0.00 C ATOM 308 CD ARG A 18 -3.542 -15.249 -17.331 1.00 0.00 C ATOM 309 NE ARG A 18 -4.063 -16.211 -18.327 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.280 -16.734 -18.366 1.00 0.00 C ATOM 311 NH1 ARG A 18 -6.165 -16.508 -17.435 1.00 0.00 N ATOM 312 NH2 ARG A 18 -5.638 -17.506 -19.353 1.00 0.00 N ATOM 0 H ARG A 18 -0.364 -14.852 -14.056 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.116 -17.095 -14.124 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.100 -15.088 -15.993 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.192 -16.671 -16.738 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.553 -16.915 -15.961 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.466 -15.349 -15.178 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.312 -14.511 -17.108 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.698 -14.709 -17.761 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.417 -16.502 -19.061 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.930 -15.911 -16.642 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.092 -16.928 -17.500 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.979 -17.712 -20.104 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.577 -17.904 -19.374 1.00 0.00 H new ATOM 326 N GLU A 19 0.991 -17.847 -14.436 1.00 0.00 N ATOM 327 CA GLU A 19 1.916 -18.987 -14.348 1.00 0.00 C ATOM 328 C GLU A 19 1.662 -19.902 -13.127 1.00 0.00 C ATOM 329 O GLU A 19 1.970 -21.094 -13.170 1.00 0.00 O ATOM 330 CB GLU A 19 3.357 -18.456 -14.263 1.00 0.00 C ATOM 331 CG GLU A 19 4.240 -18.833 -15.464 1.00 0.00 C ATOM 332 CD GLU A 19 3.908 -17.988 -16.712 1.00 0.00 C ATOM 333 OE1 GLU A 19 2.917 -18.297 -17.416 1.00 0.00 O ATOM 334 OE2 GLU A 19 4.660 -17.028 -17.015 1.00 0.00 O ATOM 0 H GLU A 19 1.436 -16.951 -14.239 1.00 0.00 H new ATOM 0 HA GLU A 19 1.752 -19.589 -15.242 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.327 -17.370 -14.175 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.820 -18.837 -13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.289 -18.695 -15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.106 -19.890 -15.695 1.00 0.00 H new ATOM 341 N ALA A 20 1.160 -19.353 -12.013 1.00 0.00 N ATOM 342 CA ALA A 20 1.299 -19.970 -10.688 1.00 0.00 C ATOM 343 C ALA A 20 0.343 -21.145 -10.382 1.00 0.00 C ATOM 344 O ALA A 20 0.784 -22.115 -9.760 1.00 0.00 O ATOM 345 CB ALA A 20 1.190 -18.859 -9.635 1.00 0.00 C ATOM 0 H ALA A 20 0.648 -18.471 -12.005 1.00 0.00 H new ATOM 0 HA ALA A 20 2.278 -20.449 -10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.290 -19.291 -8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.982 -18.127 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.220 -18.369 -9.722 1.00 0.00 H new ATOM 351 N LEU A 21 -0.915 -21.138 -10.856 1.00 0.00 N ATOM 352 CA LEU A 21 -1.837 -22.290 -10.693 1.00 0.00 C ATOM 353 C LEU A 21 -1.262 -23.584 -11.270 1.00 0.00 C ATOM 354 O LEU A 21 -1.570 -24.672 -10.788 1.00 0.00 O ATOM 355 CB LEU A 21 -3.205 -22.037 -11.347 1.00 0.00 C ATOM 356 CG LEU A 21 -4.456 -22.208 -10.483 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.713 -22.257 -11.340 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.438 -23.550 -9.795 1.00 0.00 C ATOM 0 H LEU A 21 -1.323 -20.349 -11.357 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.964 -22.401 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.205 -21.019 -11.738 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.295 -22.707 -12.202 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.460 -21.369 -9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.586 -22.379 -10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.805 -21.329 -11.905 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.650 -23.098 -12.031 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.334 -23.658 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.412 -24.342 -10.543 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.555 -23.621 -9.160 1.00 0.00 H new ATOM 370 N GLU A 22 -0.417 -23.467 -12.292 1.00 0.00 N ATOM 371 CA GLU A 22 0.184 -24.628 -12.962 1.00 0.00 C ATOM 372 C GLU A 22 1.104 -25.435 -12.030 1.00 0.00 C ATOM 373 O GLU A 22 1.272 -26.643 -12.216 1.00 0.00 O ATOM 374 CB GLU A 22 0.946 -24.120 -14.200 1.00 0.00 C ATOM 375 CG GLU A 22 0.538 -24.837 -15.496 1.00 0.00 C ATOM 376 CD GLU A 22 0.727 -23.934 -16.734 1.00 0.00 C ATOM 377 OE1 GLU A 22 1.868 -23.814 -17.244 1.00 0.00 O ATOM 378 OE2 GLU A 22 -0.275 -23.355 -17.223 1.00 0.00 O ATOM 0 H GLU A 22 -0.128 -22.570 -12.681 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.607 -25.317 -13.260 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.771 -23.050 -14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.016 -24.252 -14.040 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.132 -25.743 -15.613 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.505 -25.146 -15.427 1.00 0.00 H new ATOM 385 N TYR A 23 1.619 -24.781 -10.985 1.00 0.00 N ATOM 386 CA TYR A 23 2.312 -25.407 -9.857 1.00 0.00 C ATOM 387 C TYR A 23 1.386 -25.665 -8.653 1.00 0.00 C ATOM 388 O TYR A 23 1.538 -26.695 -7.991 1.00 0.00 O ATOM 389 CB TYR A 23 3.509 -24.532 -9.441 1.00 0.00 C ATOM 390 CG TYR A 23 4.795 -24.867 -10.178 1.00 0.00 C ATOM 391 CD1 TYR A 23 4.950 -24.529 -11.538 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.830 -25.546 -9.504 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.132 -24.877 -12.225 1.00 0.00 C ATOM 394 CE2 TYR A 23 7.014 -25.891 -10.184 1.00 0.00 C ATOM 395 CZ TYR A 23 7.168 -25.560 -11.548 1.00 0.00 C ATOM 396 OH TYR A 23 8.313 -25.905 -12.200 1.00 0.00 O ATOM 0 H TYR A 23 1.563 -23.766 -10.899 1.00 0.00 H new ATOM 0 HA TYR A 23 2.662 -26.384 -10.189 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.261 -23.485 -9.618 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.675 -24.644 -8.370 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.162 -24.002 -12.055 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.715 -25.803 -8.461 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.245 -24.622 -13.268 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.805 -26.409 -9.662 1.00 0.00 H new ATOM 0 HH TYR A 23 8.916 -26.367 -11.581 1.00 0.00 H new ATOM 406 N THR A 24 0.424 -24.780 -8.353 1.00 0.00 N ATOM 407 CA THR A 24 -0.282 -24.794 -7.053 1.00 0.00 C ATOM 408 C THR A 24 -1.655 -25.470 -7.024 1.00 0.00 C ATOM 409 O THR A 24 -2.070 -25.877 -5.939 1.00 0.00 O ATOM 410 CB THR A 24 -0.441 -23.381 -6.478 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.231 -22.624 -7.354 1.00 0.00 O ATOM 412 CG2 THR A 24 0.887 -22.652 -6.272 1.00 0.00 C ATOM 0 H THR A 24 0.114 -24.045 -8.988 1.00 0.00 H new ATOM 0 HA THR A 24 0.378 -25.410 -6.442 1.00 0.00 H new ATOM 0 HB THR A 24 -0.904 -23.489 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.655 -22.054 -7.905 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.698 -21.659 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.509 -23.218 -5.578 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.403 -22.558 -7.228 1.00 0.00 H new ATOM 420 N HIS A 25 -2.373 -25.619 -8.151 1.00 0.00 N ATOM 421 CA HIS A 25 -3.717 -26.260 -8.219 1.00 0.00 C ATOM 422 C HIS A 25 -4.691 -25.779 -7.102 1.00 0.00 C ATOM 423 O HIS A 25 -5.399 -26.567 -6.473 1.00 0.00 O ATOM 424 CB HIS A 25 -3.528 -27.763 -8.479 1.00 0.00 C ATOM 425 CG HIS A 25 -3.098 -27.987 -9.923 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.944 -28.280 -10.985 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.858 -27.739 -10.461 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.229 -28.214 -12.130 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.953 -27.911 -11.828 1.00 0.00 N ATOM 0 H HIS A 25 -2.039 -25.296 -9.059 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.294 -25.914 -9.076 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.778 -28.167 -7.800 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.458 -28.296 -8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.970 -27.460 -9.914 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.618 -28.378 -13.124 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.186 -27.823 -12.495 1.00 0.00 H new ATOM 438 N ASN A 26 -4.709 -24.452 -6.882 1.00 0.00 N ATOM 439 CA ASN A 26 -5.474 -23.670 -5.895 1.00 0.00 C ATOM 440 C ASN A 26 -6.451 -22.629 -6.509 1.00 0.00 C ATOM 441 O ASN A 26 -6.150 -22.045 -7.551 1.00 0.00 O ATOM 442 CB ASN A 26 -4.444 -22.915 -5.031 1.00 0.00 C ATOM 443 CG ASN A 26 -4.182 -23.664 -3.735 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.855 -23.452 -2.740 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.259 -24.594 -3.702 1.00 0.00 N ATOM 0 H ASN A 26 -4.127 -23.837 -7.451 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.095 -24.369 -5.334 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.512 -22.798 -5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.811 -21.913 -4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.109 -25.133 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.691 -24.779 -4.529 1.00 0.00 H new ATOM 452 N PRO A 27 -7.560 -22.278 -5.818 1.00 0.00 N ATOM 453 CA PRO A 27 -8.499 -21.221 -6.235 1.00 0.00 C ATOM 454 C PRO A 27 -7.993 -19.785 -5.983 1.00 0.00 C ATOM 455 O PRO A 27 -8.626 -18.816 -6.399 1.00 0.00 O ATOM 456 CB PRO A 27 -9.767 -21.491 -5.412 1.00 0.00 C ATOM 457 CG PRO A 27 -9.215 -22.054 -4.103 1.00 0.00 C ATOM 458 CD PRO A 27 -8.020 -22.883 -4.569 1.00 0.00 C ATOM 0 HA PRO A 27 -8.652 -21.262 -7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.343 -20.580 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.427 -22.201 -5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.915 -21.262 -3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.953 -22.665 -3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.228 -22.878 -3.820 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.306 -23.923 -4.724 1.00 0.00 H new ATOM 466 N VAL A 28 -6.872 -19.625 -5.273 1.00 0.00 N ATOM 467 CA VAL A 28 -6.378 -18.340 -4.753 1.00 0.00 C ATOM 468 C VAL A 28 -5.930 -17.370 -5.848 1.00 0.00 C ATOM 469 O VAL A 28 -6.342 -16.212 -5.848 1.00 0.00 O ATOM 470 CB VAL A 28 -5.283 -18.647 -3.718 1.00 0.00 C ATOM 471 CG1 VAL A 28 -3.952 -19.091 -4.331 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.062 -17.475 -2.779 1.00 0.00 C ATOM 0 H VAL A 28 -6.263 -20.408 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.195 -17.804 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.661 -19.498 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.233 -19.288 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.105 -19.999 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.569 -18.303 -4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.282 -17.726 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.758 -16.600 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.988 -17.255 -2.247 1.00 0.00 H new ATOM 482 N LEU A 29 -5.175 -17.836 -6.845 1.00 0.00 N ATOM 483 CA LEU A 29 -4.780 -17.055 -8.015 1.00 0.00 C ATOM 484 C LEU A 29 -6.001 -16.544 -8.798 1.00 0.00 C ATOM 485 O LEU A 29 -6.022 -15.388 -9.222 1.00 0.00 O ATOM 486 CB LEU A 29 -3.880 -17.928 -8.908 1.00 0.00 C ATOM 487 CG LEU A 29 -2.632 -18.567 -8.277 1.00 0.00 C ATOM 488 CD1 LEU A 29 -1.863 -17.629 -7.348 1.00 0.00 C ATOM 489 CD2 LEU A 29 -2.913 -19.922 -7.623 1.00 0.00 C ATOM 0 H LEU A 29 -4.814 -18.790 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.231 -16.174 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.494 -18.730 -9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.552 -17.317 -9.749 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.969 -18.762 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.996 -18.150 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.531 -16.754 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.512 -17.312 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.991 -20.319 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.654 -19.798 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.294 -20.616 -8.372 1.00 0.00 H new ATOM 501 N ALA A 30 -7.054 -17.368 -8.892 1.00 0.00 N ATOM 502 CA ALA A 30 -8.354 -17.034 -9.486 1.00 0.00 C ATOM 503 C ALA A 30 -9.200 -16.026 -8.662 1.00 0.00 C ATOM 504 O ALA A 30 -10.346 -15.744 -9.017 1.00 0.00 O ATOM 505 CB ALA A 30 -9.110 -18.345 -9.748 1.00 0.00 C ATOM 0 H ALA A 30 -7.021 -18.325 -8.541 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.169 -16.506 -10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.081 -18.123 -10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.533 -18.967 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.253 -18.877 -8.807 1.00 0.00 H new ATOM 511 N LYS A 31 -8.631 -15.454 -7.590 1.00 0.00 N ATOM 512 CA LYS A 31 -9.163 -14.341 -6.799 1.00 0.00 C ATOM 513 C LYS A 31 -8.158 -13.193 -6.676 1.00 0.00 C ATOM 514 O LYS A 31 -8.550 -12.037 -6.803 1.00 0.00 O ATOM 515 CB LYS A 31 -9.630 -14.879 -5.432 1.00 0.00 C ATOM 516 CG LYS A 31 -10.604 -13.923 -4.727 1.00 0.00 C ATOM 517 CD LYS A 31 -11.025 -14.415 -3.333 1.00 0.00 C ATOM 518 CE LYS A 31 -11.810 -15.734 -3.380 1.00 0.00 C ATOM 519 NZ LYS A 31 -12.279 -16.140 -2.028 1.00 0.00 N ATOM 0 H LYS A 31 -7.732 -15.778 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.023 -13.911 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.112 -15.847 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.762 -15.044 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.138 -12.942 -4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.493 -13.797 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.136 -14.548 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.636 -13.651 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.666 -15.625 -4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.179 -16.519 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.805 -17.034 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.460 -16.268 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.901 -15.402 -1.640 1.00 0.00 H new ATOM 533 N ILE A 32 -6.862 -13.496 -6.552 1.00 0.00 N ATOM 534 CA ILE A 32 -5.798 -12.483 -6.533 1.00 0.00 C ATOM 535 C ILE A 32 -5.686 -11.777 -7.886 1.00 0.00 C ATOM 536 O ILE A 32 -5.978 -10.588 -7.984 1.00 0.00 O ATOM 537 CB ILE A 32 -4.433 -13.059 -6.109 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.420 -13.691 -4.702 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.420 -11.903 -6.115 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.262 -14.687 -4.563 1.00 0.00 C ATOM 0 H ILE A 32 -6.519 -14.452 -6.462 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.083 -11.751 -5.777 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.190 -13.855 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.326 -12.909 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.367 -14.199 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.440 -12.277 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.359 -11.478 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.742 -11.133 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.273 -15.120 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.373 -15.480 -5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.316 -14.170 -4.724 1.00 0.00 H new ATOM 552 N LEU A 33 -5.295 -12.496 -8.943 1.00 0.00 N ATOM 553 CA LEU A 33 -5.102 -11.890 -10.266 1.00 0.00 C ATOM 554 C LEU A 33 -6.438 -11.482 -10.897 1.00 0.00 C ATOM 555 O LEU A 33 -6.479 -10.560 -11.704 1.00 0.00 O ATOM 556 CB LEU A 33 -4.233 -12.807 -11.150 1.00 0.00 C ATOM 557 CG LEU A 33 -4.986 -13.778 -12.080 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.152 -13.222 -13.496 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.268 -15.121 -12.219 1.00 0.00 C ATOM 0 H LEU A 33 -5.106 -13.498 -8.909 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.549 -10.957 -10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.588 -12.178 -11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.583 -13.392 -10.500 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.959 -13.910 -11.607 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.689 -13.945 -14.110 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.715 -12.290 -13.457 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.170 -13.035 -13.931 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.837 -15.771 -12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.273 -14.960 -12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.182 -15.591 -11.239 1.00 0.00 H new ATOM 571 N GLU A 34 -7.534 -12.122 -10.478 1.00 0.00 N ATOM 572 CA GLU A 34 -8.893 -11.693 -10.806 1.00 0.00 C ATOM 573 C GLU A 34 -9.140 -10.241 -10.361 1.00 0.00 C ATOM 574 O GLU A 34 -9.706 -9.455 -11.120 1.00 0.00 O ATOM 575 CB GLU A 34 -9.883 -12.691 -10.189 1.00 0.00 C ATOM 576 CG GLU A 34 -11.361 -12.274 -10.167 1.00 0.00 C ATOM 577 CD GLU A 34 -11.938 -11.904 -11.547 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.731 -12.655 -12.531 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.639 -10.866 -11.628 1.00 0.00 O ATOM 0 H GLU A 34 -7.500 -12.959 -9.897 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.039 -11.693 -11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.803 -13.631 -10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.571 -12.890 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.950 -13.090 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.475 -11.421 -9.498 1.00 0.00 H new ATOM 586 N ASP A 35 -8.657 -9.844 -9.179 1.00 0.00 N ATOM 587 CA ASP A 35 -8.632 -8.438 -8.776 1.00 0.00 C ATOM 588 C ASP A 35 -7.608 -7.589 -9.530 1.00 0.00 C ATOM 589 O ASP A 35 -7.976 -6.539 -10.058 1.00 0.00 O ATOM 590 CB ASP A 35 -8.369 -8.331 -7.275 1.00 0.00 C ATOM 591 CG ASP A 35 -9.420 -8.965 -6.353 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.605 -9.103 -6.753 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.035 -9.269 -5.198 1.00 0.00 O ATOM 0 H ASP A 35 -8.276 -10.483 -8.482 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.614 -8.038 -9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.405 -8.793 -7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.280 -7.276 -7.018 1.00 0.00 H new ATOM 598 N GLU A 36 -6.350 -8.025 -9.646 1.00 0.00 N ATOM 599 CA GLU A 36 -5.325 -7.270 -10.379 1.00 0.00 C ATOM 600 C GLU A 36 -5.713 -6.974 -11.841 1.00 0.00 C ATOM 601 O GLU A 36 -5.249 -5.985 -12.407 1.00 0.00 O ATOM 602 CB GLU A 36 -3.972 -8.000 -10.330 1.00 0.00 C ATOM 603 CG GLU A 36 -3.441 -8.420 -8.947 1.00 0.00 C ATOM 604 CD GLU A 36 -3.080 -7.280 -7.994 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.692 -6.186 -8.016 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.185 -7.443 -7.122 1.00 0.00 O ATOM 0 H GLU A 36 -6.015 -8.899 -9.241 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.241 -6.308 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.050 -8.896 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.226 -7.357 -10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.193 -9.045 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.556 -9.040 -9.092 1.00 0.00 H new ATOM 613 N GLU A 37 -6.612 -7.766 -12.441 1.00 0.00 N ATOM 614 CA GLU A 37 -7.086 -7.554 -13.820 1.00 0.00 C ATOM 615 C GLU A 37 -7.947 -6.282 -13.923 1.00 0.00 C ATOM 616 O GLU A 37 -7.884 -5.545 -14.911 1.00 0.00 O ATOM 617 CB GLU A 37 -7.887 -8.782 -14.296 1.00 0.00 C ATOM 618 CG GLU A 37 -8.060 -8.819 -15.822 1.00 0.00 C ATOM 619 CD GLU A 37 -9.051 -9.921 -16.245 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.649 -11.106 -16.343 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.238 -9.605 -16.507 1.00 0.00 O ATOM 0 H GLU A 37 -7.034 -8.575 -11.984 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.216 -7.423 -14.464 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.381 -9.690 -13.969 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.869 -8.777 -13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.417 -7.851 -16.174 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.094 -8.994 -16.296 1.00 0.00 H new ATOM 628 N LYS A 38 -8.727 -6.010 -12.870 1.00 0.00 N ATOM 629 CA LYS A 38 -9.612 -4.845 -12.728 1.00 0.00 C ATOM 630 C LYS A 38 -8.864 -3.636 -12.210 1.00 0.00 C ATOM 631 O LYS A 38 -9.086 -2.542 -12.711 1.00 0.00 O ATOM 632 CB LYS A 38 -10.760 -5.194 -11.764 1.00 0.00 C ATOM 633 CG LYS A 38 -11.589 -6.375 -12.283 1.00 0.00 C ATOM 634 CD LYS A 38 -12.713 -6.803 -11.333 1.00 0.00 C ATOM 635 CE LYS A 38 -12.138 -7.478 -10.080 1.00 0.00 C ATOM 636 NZ LYS A 38 -12.805 -8.770 -9.784 1.00 0.00 N ATOM 0 H LYS A 38 -8.761 -6.623 -12.056 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.008 -4.596 -13.713 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.352 -5.438 -10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.405 -4.325 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.022 -6.108 -13.247 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.928 -7.224 -12.455 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.303 -5.933 -11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.387 -7.490 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.070 -7.646 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.249 -6.810 -9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.445 -9.149 -8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.832 -8.622 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.607 -9.446 -10.549 1.00 0.00 H new ATOM 650 N HIS A 39 -7.956 -3.829 -11.256 1.00 0.00 N ATOM 651 CA HIS A 39 -7.226 -2.792 -10.544 1.00 0.00 C ATOM 652 C HIS A 39 -6.578 -1.732 -11.439 1.00 0.00 C ATOM 653 O HIS A 39 -6.755 -0.542 -11.194 1.00 0.00 O ATOM 654 CB HIS A 39 -6.169 -3.513 -9.734 1.00 0.00 C ATOM 655 CG HIS A 39 -6.604 -4.062 -8.411 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.700 -4.275 -7.370 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.868 -4.391 -8.007 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.456 -4.704 -6.340 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.753 -4.777 -6.690 1.00 0.00 N ATOM 0 H HIS A 39 -7.698 -4.766 -10.945 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.929 -2.228 -9.932 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.781 -4.336 -10.334 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.341 -2.825 -9.563 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.690 -4.137 -7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.771 -4.356 -8.599 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.071 -4.956 -5.363 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.520 -5.068 -6.084 1.00 0.00 H new ATOM 667 N ILE A 40 -5.852 -2.143 -12.483 1.00 0.00 N ATOM 668 CA ILE A 40 -5.180 -1.196 -13.394 1.00 0.00 C ATOM 669 C ILE A 40 -6.184 -0.253 -14.060 1.00 0.00 C ATOM 670 O ILE A 40 -5.953 0.952 -14.105 1.00 0.00 O ATOM 671 CB ILE A 40 -4.336 -1.947 -14.448 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.244 -2.752 -13.723 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.680 -0.998 -15.473 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.377 -3.573 -14.671 1.00 0.00 C ATOM 0 H ILE A 40 -5.711 -3.124 -12.723 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.504 -0.585 -12.796 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.005 -2.604 -15.004 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.609 -2.067 -13.161 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.713 -3.419 -12.999 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.100 -1.580 -16.189 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.454 -0.441 -16.001 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.022 -0.301 -14.954 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.626 -4.117 -14.098 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.002 -4.281 -15.215 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.882 -2.908 -15.379 1.00 0.00 H new ATOM 686 N GLU A 41 -7.318 -0.774 -14.532 1.00 0.00 N ATOM 687 CA GLU A 41 -8.397 0.058 -15.076 1.00 0.00 C ATOM 688 C GLU A 41 -9.153 0.816 -13.976 1.00 0.00 C ATOM 689 O GLU A 41 -9.490 1.981 -14.158 1.00 0.00 O ATOM 690 CB GLU A 41 -9.335 -0.784 -15.954 1.00 0.00 C ATOM 691 CG GLU A 41 -8.641 -1.165 -17.274 1.00 0.00 C ATOM 692 CD GLU A 41 -9.553 -1.996 -18.200 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.649 -1.516 -18.581 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.164 -3.125 -18.589 1.00 0.00 O ATOM 0 H GLU A 41 -7.515 -1.775 -14.549 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.945 0.821 -15.710 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.631 -1.686 -15.419 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.246 -0.224 -16.164 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.331 -0.258 -17.793 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.736 -1.732 -17.055 1.00 0.00 H new ATOM 701 N TRP A 42 -9.342 0.221 -12.798 1.00 0.00 N ATOM 702 CA TRP A 42 -9.917 0.873 -11.612 1.00 0.00 C ATOM 703 C TRP A 42 -9.208 2.182 -11.188 1.00 0.00 C ATOM 704 O TRP A 42 -9.890 3.117 -10.780 1.00 0.00 O ATOM 705 CB TRP A 42 -9.982 -0.175 -10.482 1.00 0.00 C ATOM 706 CG TRP A 42 -11.169 -1.089 -10.458 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.150 -1.161 -11.386 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.496 -2.102 -9.456 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.074 -2.113 -11.011 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.716 -2.738 -9.836 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.879 -2.554 -8.267 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.291 -3.772 -9.082 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.444 -3.597 -7.508 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.645 -4.206 -7.911 1.00 0.00 C ATOM 0 H TRP A 42 -9.094 -0.755 -12.634 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.921 1.218 -11.861 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.084 -0.790 -10.541 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.944 0.354 -9.530 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.202 -0.564 -12.284 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -13.920 -2.329 -11.539 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.960 -2.092 -7.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.218 -4.229 -9.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.950 -3.932 -6.608 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.071 -5.005 -7.323 1.00 0.00 H new ATOM 725 N LEU A 43 -7.887 2.316 -11.371 1.00 0.00 N ATOM 726 CA LEU A 43 -7.112 3.565 -11.171 1.00 0.00 C ATOM 727 C LEU A 43 -6.807 4.351 -12.469 1.00 0.00 C ATOM 728 O LEU A 43 -5.930 5.214 -12.487 1.00 0.00 O ATOM 729 CB LEU A 43 -5.898 3.298 -10.263 1.00 0.00 C ATOM 730 CG LEU A 43 -4.894 2.288 -10.837 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.572 2.964 -11.166 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.573 1.187 -9.832 1.00 0.00 C ATOM 0 H LEU A 43 -7.302 1.537 -11.672 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.754 4.268 -10.640 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.383 4.240 -10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.252 2.933 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.360 1.872 -11.730 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.878 2.228 -11.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.739 3.750 -11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.151 3.400 -10.260 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.860 0.490 -10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.142 1.629 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.488 0.654 -9.572 1.00 0.00 H new ATOM 744 N GLU A 44 -7.575 4.115 -13.537 1.00 0.00 N ATOM 745 CA GLU A 44 -7.505 4.815 -14.828 1.00 0.00 C ATOM 746 C GLU A 44 -8.875 5.359 -15.249 1.00 0.00 C ATOM 747 O GLU A 44 -8.978 6.507 -15.679 1.00 0.00 O ATOM 748 CB GLU A 44 -6.989 3.823 -15.884 1.00 0.00 C ATOM 749 CG GLU A 44 -5.671 4.245 -16.551 1.00 0.00 C ATOM 750 CD GLU A 44 -5.807 5.288 -17.685 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.936 5.630 -18.106 1.00 0.00 O ATOM 752 OE2 GLU A 44 -4.757 5.756 -18.192 1.00 0.00 O ATOM 0 H GLU A 44 -8.298 3.396 -13.527 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.831 5.667 -14.736 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.851 2.849 -15.415 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.750 3.700 -16.654 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.009 4.650 -15.785 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.186 3.356 -16.954 1.00 0.00 H new ATOM 759 N THR A 45 -9.948 4.591 -15.031 1.00 0.00 N ATOM 760 CA THR A 45 -11.340 5.008 -15.222 1.00 0.00 C ATOM 761 C THR A 45 -11.662 6.322 -14.499 1.00 0.00 C ATOM 762 O THR A 45 -12.368 7.173 -15.041 1.00 0.00 O ATOM 763 CB THR A 45 -12.285 3.874 -14.797 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.139 2.792 -15.695 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.764 4.254 -14.796 1.00 0.00 C ATOM 0 H THR A 45 -9.867 3.628 -14.705 1.00 0.00 H new ATOM 0 HA THR A 45 -11.491 5.209 -16.283 1.00 0.00 H new ATOM 0 HB THR A 45 -12.004 3.625 -13.774 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.347 2.269 -15.451 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.360 3.396 -14.484 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.927 5.080 -14.104 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.062 4.557 -15.800 1.00 0.00 H new ATOM 773 N ILE A 46 -11.075 6.533 -13.312 1.00 0.00 N ATOM 774 CA ILE A 46 -11.172 7.789 -12.539 1.00 0.00 C ATOM 775 C ILE A 46 -10.698 9.012 -13.342 1.00 0.00 C ATOM 776 O ILE A 46 -11.275 10.097 -13.254 1.00 0.00 O ATOM 777 CB ILE A 46 -10.342 7.720 -11.228 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.372 6.366 -10.491 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.759 8.845 -10.262 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.769 5.792 -10.215 1.00 0.00 C ATOM 0 H ILE A 46 -10.507 5.823 -12.849 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.230 7.904 -12.305 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.310 7.849 -11.555 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.810 5.640 -11.079 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.851 6.478 -9.540 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.166 8.780 -9.350 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.591 9.812 -10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.816 8.740 -10.016 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.674 4.840 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.333 6.490 -9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.292 5.639 -11.159 1.00 0.00 H new ATOM 792 N LEU A 47 -9.621 8.828 -14.108 1.00 0.00 N ATOM 793 CA LEU A 47 -8.833 9.895 -14.722 1.00 0.00 C ATOM 794 C LEU A 47 -9.467 10.485 -15.998 1.00 0.00 C ATOM 795 O LEU A 47 -9.141 11.614 -16.377 1.00 0.00 O ATOM 796 CB LEU A 47 -7.405 9.384 -15.010 1.00 0.00 C ATOM 797 CG LEU A 47 -6.693 8.669 -13.840 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.282 8.260 -14.266 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.592 9.541 -12.587 1.00 0.00 C ATOM 0 H LEU A 47 -9.262 7.898 -14.325 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.803 10.715 -14.004 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.450 8.698 -15.856 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.793 10.231 -15.319 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.296 7.795 -13.592 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.784 7.756 -13.438 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.341 7.584 -15.119 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.714 9.148 -14.545 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.083 8.987 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.028 10.445 -12.817 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.593 9.813 -12.251 1.00 0.00 H new ATOM 811 N GLY A 48 -10.369 9.747 -16.658 1.00 0.00 N ATOM 812 CA GLY A 48 -11.025 10.183 -17.900 1.00 0.00 C ATOM 813 C GLY A 48 -11.980 9.168 -18.550 1.00 0.00 C ATOM 814 O GLY A 48 -12.264 9.261 -19.743 1.00 0.00 O ATOM 0 H GLY A 48 -10.667 8.824 -16.344 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.584 11.096 -17.692 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.252 10.441 -18.624 1.00 0.00 H new ATOM 828 N ASP B 1 11.023 -19.635 -5.775 1.00 0.00 N ATOM 829 CA ASP B 1 11.542 -18.263 -5.608 1.00 0.00 C ATOM 830 C ASP B 1 10.618 -17.172 -6.196 1.00 0.00 C ATOM 831 O ASP B 1 10.600 -16.031 -5.733 1.00 0.00 O ATOM 832 CB ASP B 1 12.954 -18.175 -6.219 1.00 0.00 C ATOM 833 CG ASP B 1 13.930 -17.354 -5.358 1.00 0.00 C ATOM 834 OD1 ASP B 1 13.619 -16.205 -4.964 1.00 0.00 O ATOM 835 OD2 ASP B 1 15.039 -17.854 -5.061 1.00 0.00 O ATOM 0 H1 ASP B 1 11.658 -20.307 -5.299 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.073 -19.700 -5.356 1.00 0.00 H new ATOM 0 H3 ASP B 1 10.971 -19.866 -6.788 1.00 0.00 H new ATOM 0 HA ASP B 1 11.582 -18.063 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.351 -19.182 -6.349 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.888 -17.728 -7.211 1.00 0.00 H new ATOM 840 N TYR B 2 9.790 -17.537 -7.180 1.00 0.00 N ATOM 841 CA TYR B 2 8.767 -16.665 -7.769 1.00 0.00 C ATOM 842 C TYR B 2 7.773 -16.109 -6.738 1.00 0.00 C ATOM 843 O TYR B 2 7.325 -14.971 -6.863 1.00 0.00 O ATOM 844 CB TYR B 2 8.021 -17.413 -8.881 1.00 0.00 C ATOM 845 CG TYR B 2 7.020 -18.470 -8.439 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.434 -19.799 -8.214 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.663 -18.121 -8.274 1.00 0.00 C ATOM 848 CE1 TYR B 2 6.496 -20.771 -7.814 1.00 0.00 C ATOM 849 CE2 TYR B 2 4.723 -19.092 -7.878 1.00 0.00 C ATOM 850 CZ TYR B 2 5.139 -20.422 -7.644 1.00 0.00 C ATOM 851 OH TYR B 2 4.242 -21.366 -7.252 1.00 0.00 O ATOM 0 H TYR B 2 9.812 -18.467 -7.599 1.00 0.00 H new ATOM 0 HA TYR B 2 9.289 -15.803 -8.185 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.494 -16.679 -9.491 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.759 -17.891 -9.524 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.470 -20.072 -8.348 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.344 -17.105 -8.452 1.00 0.00 H new ATOM 0 HE1 TYR B 2 6.816 -21.787 -7.637 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.685 -18.820 -7.753 1.00 0.00 H new ATOM 0 HH TYR B 2 3.352 -20.962 -7.181 1.00 0.00 H new ATOM 861 N LEU B 3 7.459 -16.890 -5.702 1.00 0.00 N ATOM 862 CA LEU B 3 6.606 -16.484 -4.575 1.00 0.00 C ATOM 863 C LEU B 3 7.257 -15.350 -3.776 1.00 0.00 C ATOM 864 O LEU B 3 6.634 -14.311 -3.571 1.00 0.00 O ATOM 865 CB LEU B 3 6.332 -17.690 -3.655 1.00 0.00 C ATOM 866 CG LEU B 3 5.529 -18.820 -4.323 1.00 0.00 C ATOM 867 CD1 LEU B 3 5.634 -20.103 -3.502 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.049 -18.449 -4.455 1.00 0.00 C ATOM 0 H LEU B 3 7.798 -17.848 -5.618 1.00 0.00 H new ATOM 0 HA LEU B 3 5.661 -16.120 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.284 -18.092 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU B 3 5.790 -17.346 -2.774 1.00 0.00 H new ATOM 0 HG LEU B 3 5.951 -18.973 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.061 -20.893 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.679 -20.404 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.237 -19.929 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.510 -19.268 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.630 -18.265 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.952 -17.549 -5.063 1.00 0.00 H new ATOM 880 N ARG B 4 8.531 -15.505 -3.387 1.00 0.00 N ATOM 881 CA ARG B 4 9.313 -14.440 -2.733 1.00 0.00 C ATOM 882 C ARG B 4 9.349 -13.177 -3.593 1.00 0.00 C ATOM 883 O ARG B 4 9.099 -12.084 -3.090 1.00 0.00 O ATOM 884 CB ARG B 4 10.727 -14.954 -2.400 1.00 0.00 C ATOM 885 CG ARG B 4 11.591 -13.881 -1.715 1.00 0.00 C ATOM 886 CD ARG B 4 12.949 -14.417 -1.245 1.00 0.00 C ATOM 887 NE ARG B 4 13.826 -14.823 -2.365 1.00 0.00 N ATOM 888 CZ ARG B 4 15.145 -14.821 -2.383 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.872 -14.426 -1.373 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.759 -15.237 -3.447 1.00 0.00 N ATOM 0 H ARG B 4 9.051 -16.373 -3.516 1.00 0.00 H new ATOM 0 HA ARG B 4 8.826 -14.168 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.651 -15.826 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.217 -15.282 -3.317 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.752 -13.055 -2.408 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.050 -13.478 -0.859 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.452 -13.651 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG B 4 12.789 -15.271 -0.587 1.00 0.00 H new ATOM 0 HE ARG B 4 13.360 -15.139 -3.216 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.422 -14.099 -0.518 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.890 -14.445 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.222 -15.559 -4.253 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.779 -15.242 -3.478 1.00 0.00 H new ATOM 904 N GLU B 5 9.593 -13.331 -4.892 1.00 0.00 N ATOM 905 CA GLU B 5 9.606 -12.226 -5.859 1.00 0.00 C ATOM 906 C GLU B 5 8.248 -11.486 -5.930 1.00 0.00 C ATOM 907 O GLU B 5 8.207 -10.260 -6.053 1.00 0.00 O ATOM 908 CB GLU B 5 10.029 -12.795 -7.222 1.00 0.00 C ATOM 909 CG GLU B 5 10.425 -11.745 -8.261 1.00 0.00 C ATOM 910 CD GLU B 5 11.799 -11.112 -7.958 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.861 -10.096 -7.224 1.00 0.00 O ATOM 912 OE2 GLU B 5 12.832 -11.622 -8.462 1.00 0.00 O ATOM 0 H GLU B 5 9.791 -14.239 -5.313 1.00 0.00 H new ATOM 0 HA GLU B 5 10.322 -11.470 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.870 -13.472 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.208 -13.390 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU B 5 10.449 -12.205 -9.249 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.666 -10.963 -8.292 1.00 0.00 H new ATOM 919 N LEU B 6 7.138 -12.220 -5.789 1.00 0.00 N ATOM 920 CA LEU B 6 5.764 -11.709 -5.699 1.00 0.00 C ATOM 921 C LEU B 6 5.494 -10.917 -4.407 1.00 0.00 C ATOM 922 O LEU B 6 5.073 -9.759 -4.464 1.00 0.00 O ATOM 923 CB LEU B 6 4.799 -12.913 -5.825 1.00 0.00 C ATOM 924 CG LEU B 6 3.956 -12.894 -7.100 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.779 -12.876 -8.392 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.074 -14.141 -7.147 1.00 0.00 C ATOM 0 H LEU B 6 7.175 -13.238 -5.732 1.00 0.00 H new ATOM 0 HA LEU B 6 5.605 -10.998 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.378 -13.836 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.135 -12.927 -4.961 1.00 0.00 H new ATOM 0 HG LEU B 6 3.378 -11.971 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.108 -12.863 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.408 -11.986 -8.410 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.407 -13.766 -8.436 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.473 -14.127 -8.056 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.702 -15.032 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.417 -14.155 -6.278 1.00 0.00 H new ATOM 938 N LEU B 7 5.748 -11.528 -3.245 1.00 0.00 N ATOM 939 CA LEU B 7 5.585 -10.898 -1.925 1.00 0.00 C ATOM 940 C LEU B 7 6.397 -9.597 -1.776 1.00 0.00 C ATOM 941 O LEU B 7 5.883 -8.613 -1.236 1.00 0.00 O ATOM 942 CB LEU B 7 5.962 -11.876 -0.786 1.00 0.00 C ATOM 943 CG LEU B 7 4.810 -12.787 -0.301 1.00 0.00 C ATOM 944 CD1 LEU B 7 4.946 -14.219 -0.805 1.00 0.00 C ATOM 945 CD2 LEU B 7 4.781 -12.867 1.225 1.00 0.00 C ATOM 0 H LEU B 7 6.079 -12.491 -3.192 1.00 0.00 H new ATOM 0 HA LEU B 7 4.529 -10.640 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.785 -12.505 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.330 -11.298 0.062 1.00 0.00 H new ATOM 0 HG LEU B 7 3.899 -12.337 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.112 -14.816 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.940 -14.223 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.883 -14.644 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.962 -13.514 1.540 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.725 -13.275 1.586 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.635 -11.869 1.639 1.00 0.00 H new ATOM 957 N LYS B 8 7.642 -9.573 -2.272 1.00 0.00 N ATOM 958 CA LYS B 8 8.613 -8.458 -2.186 1.00 0.00 C ATOM 959 C LYS B 8 8.274 -7.246 -3.086 1.00 0.00 C ATOM 960 O LYS B 8 9.167 -6.645 -3.689 1.00 0.00 O ATOM 961 CB LYS B 8 10.031 -9.019 -2.457 1.00 0.00 C ATOM 962 CG LYS B 8 10.562 -9.929 -1.331 1.00 0.00 C ATOM 963 CD LYS B 8 11.105 -9.170 -0.104 1.00 0.00 C ATOM 964 CE LYS B 8 12.624 -8.919 -0.143 1.00 0.00 C ATOM 965 NZ LYS B 8 13.037 -7.934 -1.179 1.00 0.00 N ATOM 0 H LYS B 8 8.026 -10.374 -2.774 1.00 0.00 H new ATOM 0 HA LYS B 8 8.562 -8.047 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS B 8 10.018 -9.581 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.721 -8.187 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.760 -10.592 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS B 8 11.355 -10.560 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.591 -8.212 -0.026 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.864 -9.736 0.796 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.951 -8.565 0.835 1.00 0.00 H new ATOM 0 HE3 LYS B 8 13.136 -9.864 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.057 -7.749 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 12.831 -8.317 -2.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.512 -7.047 -1.043 1.00 0.00 H new ATOM 979 N GLY B 9 6.998 -6.862 -3.187 1.00 0.00 N ATOM 980 CA GLY B 9 6.587 -5.671 -3.933 1.00 0.00 C ATOM 981 C GLY B 9 5.119 -5.259 -3.889 1.00 0.00 C ATOM 982 O GLY B 9 4.809 -4.083 -4.051 1.00 0.00 O ATOM 0 H GLY B 9 6.224 -7.367 -2.755 1.00 0.00 H new ATOM 0 HA2 GLY B 9 7.179 -4.831 -3.570 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.858 -5.824 -4.978 1.00 0.00 H new ATOM 986 N GLU B 10 4.210 -6.180 -3.598 1.00 0.00 N ATOM 987 CA GLU B 10 2.784 -5.876 -3.372 1.00 0.00 C ATOM 988 C GLU B 10 2.586 -4.845 -2.240 1.00 0.00 C ATOM 989 O GLU B 10 1.742 -3.955 -2.334 1.00 0.00 O ATOM 990 CB GLU B 10 2.071 -7.192 -3.025 1.00 0.00 C ATOM 991 CG GLU B 10 1.853 -8.150 -4.209 1.00 0.00 C ATOM 992 CD GLU B 10 0.531 -7.867 -4.919 1.00 0.00 C ATOM 993 OE1 GLU B 10 0.271 -6.885 -5.642 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.547 -8.467 -4.735 1.00 0.00 O ATOM 0 H GLU B 10 4.433 -7.171 -3.509 1.00 0.00 H new ATOM 0 HA GLU B 10 2.365 -5.433 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.650 -7.710 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU B 10 1.102 -6.957 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.676 -8.050 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.863 -9.180 -3.852 1.00 0.00 H new ATOM 1001 N LEU B 11 3.427 -4.912 -1.201 1.00 0.00 N ATOM 1002 CA LEU B 11 3.460 -4.020 -0.040 1.00 0.00 C ATOM 1003 C LEU B 11 3.795 -2.570 -0.433 1.00 0.00 C ATOM 1004 O LEU B 11 3.239 -1.618 0.120 1.00 0.00 O ATOM 1005 CB LEU B 11 4.422 -4.695 0.976 1.00 0.00 C ATOM 1006 CG LEU B 11 5.386 -3.785 1.745 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.696 -2.990 2.853 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.498 -4.614 2.392 1.00 0.00 C ATOM 0 H LEU B 11 4.145 -5.634 -1.147 1.00 0.00 H new ATOM 0 HA LEU B 11 2.485 -3.898 0.432 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.818 -5.237 1.703 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.014 -5.436 0.439 1.00 0.00 H new ATOM 0 HG LEU B 11 5.788 -3.086 1.011 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.429 -2.364 3.362 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.919 -2.360 2.419 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.247 -3.678 3.569 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.175 -3.954 2.935 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.060 -5.333 3.084 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.052 -5.146 1.619 1.00 0.00 H new ATOM 1020 N GLN B 12 4.637 -2.406 -1.453 1.00 0.00 N ATOM 1021 CA GLN B 12 4.989 -1.122 -2.053 1.00 0.00 C ATOM 1022 C GLN B 12 3.760 -0.444 -2.686 1.00 0.00 C ATOM 1023 O GLN B 12 3.663 0.781 -2.689 1.00 0.00 O ATOM 1024 CB GLN B 12 6.120 -1.339 -3.078 1.00 0.00 C ATOM 1025 CG GLN B 12 6.887 -0.055 -3.408 1.00 0.00 C ATOM 1026 CD GLN B 12 8.016 -0.318 -4.404 1.00 0.00 C ATOM 1027 OE1 GLN B 12 9.118 -0.716 -4.050 1.00 0.00 O ATOM 1028 NE2 GLN B 12 7.792 -0.116 -5.687 1.00 0.00 N ATOM 0 H GLN B 12 5.109 -3.193 -1.899 1.00 0.00 H new ATOM 0 HA GLN B 12 5.346 -0.445 -1.277 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.817 -2.082 -2.689 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.697 -1.748 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.201 0.684 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.299 0.369 -2.493 1.00 0.00 H new ATOM 0 HE21 GLN B 12 6.879 0.216 -5.999 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.531 -0.291 -6.368 1.00 0.00 H new ATOM 1037 N GLY B 13 2.785 -1.237 -3.148 1.00 0.00 N ATOM 1038 CA GLY B 13 1.502 -0.755 -3.655 1.00 0.00 C ATOM 1039 C GLY B 13 0.543 -0.393 -2.521 1.00 0.00 C ATOM 1040 O GLY B 13 0.003 0.715 -2.524 1.00 0.00 O ATOM 0 H GLY B 13 2.872 -2.253 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.666 0.119 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.049 -1.521 -4.284 1.00 0.00 H new ATOM 1044 N ILE B 14 0.397 -1.266 -1.508 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.509 -1.040 -0.356 1.00 0.00 C ATOM 1046 C ILE B 14 -0.255 0.342 0.271 1.00 0.00 C ATOM 1047 O ILE B 14 -1.190 1.119 0.488 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.347 -2.130 0.738 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.686 -3.544 0.226 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.236 -1.824 1.965 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.292 -4.671 1.191 1.00 0.00 C ATOM 0 H ILE B 14 0.902 -2.151 -1.461 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.527 -1.091 -0.743 1.00 0.00 H new ATOM 0 HB ILE B 14 0.705 -2.110 1.022 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.757 -3.602 0.034 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.183 -3.704 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.102 -2.604 2.715 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.952 -0.861 2.389 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.281 -1.792 1.658 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.564 -5.633 0.757 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.784 -4.642 1.364 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.816 -4.539 2.138 1.00 0.00 H new ATOM 1063 N LYS B 15 1.018 0.659 0.548 1.00 0.00 N ATOM 1064 CA LYS B 15 1.412 1.885 1.255 1.00 0.00 C ATOM 1065 C LYS B 15 1.363 3.155 0.399 1.00 0.00 C ATOM 1066 O LYS B 15 1.126 4.235 0.937 1.00 0.00 O ATOM 1067 CB LYS B 15 2.785 1.691 1.922 1.00 0.00 C ATOM 1068 CG LYS B 15 2.616 0.958 3.266 1.00 0.00 C ATOM 1069 CD LYS B 15 3.942 0.601 3.955 1.00 0.00 C ATOM 1070 CE LYS B 15 4.831 1.825 4.220 1.00 0.00 C ATOM 1071 NZ LYS B 15 6.031 1.460 5.021 1.00 0.00 N ATOM 0 H LYS B 15 1.807 0.068 0.286 1.00 0.00 H new ATOM 0 HA LYS B 15 0.660 2.053 2.026 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.440 1.119 1.266 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.261 2.658 2.083 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.027 1.583 3.937 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.047 0.043 3.100 1.00 0.00 H new ATOM 0 HD2 LYS B 15 3.730 0.101 4.900 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.488 -0.109 3.334 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.144 2.262 3.272 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.257 2.586 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.611 2.308 5.183 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 5.731 1.066 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.590 0.751 4.505 1.00 0.00 H new ATOM 1085 N GLN B 16 1.521 3.043 -0.920 1.00 0.00 N ATOM 1086 CA GLN B 16 1.388 4.161 -1.852 1.00 0.00 C ATOM 1087 C GLN B 16 -0.073 4.525 -2.115 1.00 0.00 C ATOM 1088 O GLN B 16 -0.414 5.702 -2.242 1.00 0.00 O ATOM 1089 CB GLN B 16 2.091 3.810 -3.166 1.00 0.00 C ATOM 1090 CG GLN B 16 3.597 4.096 -3.082 1.00 0.00 C ATOM 1091 CD GLN B 16 4.246 4.111 -4.462 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.524 3.091 -5.079 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.512 5.282 -5.001 1.00 0.00 N ATOM 0 H GLN B 16 1.748 2.160 -1.377 1.00 0.00 H new ATOM 0 HA GLN B 16 1.857 5.034 -1.398 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.930 2.757 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.653 4.386 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.758 5.057 -2.594 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.077 3.339 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.285 6.139 -4.497 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.945 5.332 -5.923 1.00 0.00 H new ATOM 1102 N TYR B 17 -0.965 3.537 -2.119 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.393 3.789 -2.278 1.00 0.00 C ATOM 1104 C TYR B 17 -2.984 4.703 -1.204 1.00 0.00 C ATOM 1105 O TYR B 17 -3.921 5.457 -1.478 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.135 2.458 -2.300 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.145 1.780 -3.655 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.459 2.505 -4.824 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.809 0.418 -3.748 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.362 1.894 -6.086 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.720 -0.199 -5.007 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.974 0.538 -6.180 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.917 -0.092 -7.384 1.00 0.00 O ATOM 0 H TYR B 17 -0.722 2.552 -2.014 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.518 4.320 -3.222 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.678 1.787 -1.573 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.164 2.622 -1.980 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.776 3.535 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.619 -0.154 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.583 2.458 -6.980 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.455 -1.244 -5.076 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.898 -1.062 -7.245 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.414 4.684 0.006 1.00 0.00 N ATOM 1124 CA ARG B 18 -2.865 5.553 1.098 1.00 0.00 C ATOM 1125 C ARG B 18 -2.518 7.041 0.913 1.00 0.00 C ATOM 1126 O ARG B 18 -3.181 7.890 1.505 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.397 4.977 2.442 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.519 4.144 3.092 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.018 3.139 4.135 1.00 0.00 C ATOM 1130 NE ARG B 18 -2.240 3.772 5.218 1.00 0.00 N ATOM 1131 CZ ARG B 18 -1.654 3.147 6.224 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -1.764 1.858 6.395 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -0.937 3.808 7.086 1.00 0.00 N ATOM 0 H ARG B 18 -1.636 4.073 0.254 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.955 5.554 1.084 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.515 4.355 2.290 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.104 5.787 3.110 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.233 4.819 3.565 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.058 3.606 2.312 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.871 2.615 4.566 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.400 2.389 3.641 1.00 0.00 H new ATOM 0 HE ARG B 18 -2.146 4.787 5.187 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.315 1.302 5.741 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -1.299 1.406 7.182 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -0.824 4.817 6.988 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -0.488 3.317 7.859 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.556 7.378 0.047 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.319 8.751 -0.434 1.00 0.00 C ATOM 1149 C GLU B 19 -2.276 9.137 -1.581 1.00 0.00 C ATOM 1150 O GLU B 19 -2.678 10.293 -1.704 1.00 0.00 O ATOM 1151 CB GLU B 19 0.129 8.873 -0.951 1.00 0.00 C ATOM 1152 CG GLU B 19 1.056 9.714 -0.064 1.00 0.00 C ATOM 1153 CD GLU B 19 1.621 8.904 1.119 1.00 0.00 C ATOM 1154 OE1 GLU B 19 0.951 8.810 2.175 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.757 8.381 1.009 1.00 0.00 O ATOM 0 H GLU B 19 -0.908 6.696 -0.348 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.495 9.423 0.406 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.551 7.873 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.109 9.310 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.880 10.099 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.508 10.576 0.317 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.643 8.182 -2.439 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.388 8.422 -3.676 1.00 0.00 C ATOM 1164 C ALA B 20 -4.830 8.909 -3.430 1.00 0.00 C ATOM 1165 O ALA B 20 -5.313 9.781 -4.155 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.343 7.143 -4.522 1.00 0.00 C ATOM 0 H ALA B 20 -2.425 7.197 -2.289 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.912 9.239 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.893 7.301 -5.450 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.307 6.895 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.797 6.323 -3.966 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.496 8.425 -2.372 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.813 8.926 -1.953 1.00 0.00 C ATOM 1174 C LEU B 21 -6.798 10.414 -1.572 1.00 0.00 C ATOM 1175 O LEU B 21 -7.827 11.067 -1.713 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.393 8.029 -0.843 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.764 8.452 -0.270 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.585 7.224 0.127 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.616 9.309 0.994 1.00 0.00 C ATOM 0 H LEU B 21 -5.137 7.675 -1.782 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.479 8.869 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.483 7.015 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.676 7.992 -0.023 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.257 9.024 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.547 7.544 0.528 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.748 6.596 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.046 6.656 0.885 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.603 9.585 1.364 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.087 8.741 1.759 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.052 10.211 0.758 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.674 11.005 -1.155 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.652 12.456 -0.916 1.00 0.00 C ATOM 1193 C GLU B 22 -5.823 13.278 -2.209 1.00 0.00 C ATOM 1194 O GLU B 22 -6.402 14.367 -2.184 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.366 12.863 -0.195 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.474 12.641 1.320 1.00 0.00 C ATOM 1197 CD GLU B 22 -3.272 13.255 2.062 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -2.219 12.586 2.190 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -3.377 14.415 2.535 1.00 0.00 O ATOM 0 H GLU B 22 -4.793 10.522 -0.980 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.509 12.681 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.529 12.287 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.152 13.913 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.398 13.085 1.690 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.527 11.573 1.530 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.368 12.734 -3.339 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.534 13.314 -4.677 1.00 0.00 C ATOM 1208 C TYR B 23 -6.844 12.928 -5.392 1.00 0.00 C ATOM 1209 O TYR B 23 -7.372 13.750 -6.145 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.307 12.970 -5.538 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.229 14.033 -5.438 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.311 14.021 -4.370 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -3.200 15.082 -6.378 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.368 15.060 -4.241 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -2.258 16.121 -6.254 1.00 0.00 C ATOM 1216 CZ TYR B 23 -1.341 16.114 -5.181 1.00 0.00 C ATOM 1217 OH TYR B 23 -0.437 17.124 -5.041 1.00 0.00 O ATOM 0 H TYR B 23 -4.858 11.851 -3.351 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.610 14.392 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.900 12.009 -5.222 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.613 12.860 -6.578 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.330 13.216 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -3.904 15.089 -7.197 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.664 15.050 -3.422 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -2.237 16.922 -6.978 1.00 0.00 H new ATOM 0 HH TYR B 23 -0.550 17.768 -5.771 1.00 0.00 H new ATOM 1227 N THR B 24 -7.405 11.733 -5.161 1.00 0.00 N ATOM 1228 CA THR B 24 -8.651 11.288 -5.834 1.00 0.00 C ATOM 1229 C THR B 24 -9.916 11.471 -4.988 1.00 0.00 C ATOM 1230 O THR B 24 -11.006 11.633 -5.538 1.00 0.00 O ATOM 1231 CB THR B 24 -8.584 9.811 -6.253 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.578 8.990 -5.105 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.358 9.470 -7.100 1.00 0.00 C ATOM 0 H THR B 24 -7.019 11.048 -4.511 1.00 0.00 H new ATOM 0 HA THR B 24 -8.720 11.935 -6.709 1.00 0.00 H new ATOM 0 HB THR B 24 -9.466 9.630 -6.868 1.00 0.00 H new ATOM 0 HG1 THR B 24 -7.844 8.344 -5.169 1.00 0.00 H new ATOM 0 HG21 THR B 24 -7.377 8.411 -7.359 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.369 10.067 -8.012 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.452 9.689 -6.534 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.785 11.435 -3.655 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.849 11.302 -2.642 1.00 0.00 C ATOM 1243 C HIS B 25 -11.893 10.178 -2.900 1.00 0.00 C ATOM 1244 O HIS B 25 -12.972 10.188 -2.301 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.455 12.687 -2.335 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.668 13.389 -1.256 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.884 13.273 0.107 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.548 14.151 -1.436 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.913 13.958 0.744 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.092 14.504 -0.178 1.00 0.00 N ATOM 0 H HIS B 25 -8.865 11.503 -3.221 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.373 10.933 -1.734 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.462 13.295 -3.240 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.492 12.573 -2.019 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.103 14.426 -2.381 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.809 14.054 1.815 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.273 15.080 0.019 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.615 9.213 -3.788 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.623 8.290 -4.341 1.00 0.00 C ATOM 1261 C ASN B 26 -12.825 6.990 -3.524 1.00 0.00 C ATOM 1262 O ASN B 26 -11.888 6.514 -2.875 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.269 7.995 -5.820 1.00 0.00 C ATOM 1264 CG ASN B 26 -13.156 8.761 -6.796 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.528 9.907 -6.593 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -13.572 8.134 -7.872 1.00 0.00 N ATOM 0 H ASN B 26 -10.675 9.048 -4.148 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.590 8.789 -4.277 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.226 8.256 -6.000 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.367 6.926 -6.007 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -14.198 8.604 -8.526 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.269 7.177 -8.054 1.00 0.00 H new ATOM 1273 N PRO B 27 -14.012 6.345 -3.628 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.318 5.064 -2.970 1.00 0.00 C ATOM 1275 C PRO B 27 -13.573 3.869 -3.591 1.00 0.00 C ATOM 1276 O PRO B 27 -13.562 2.773 -3.030 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.836 4.890 -3.121 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.139 5.600 -4.438 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.168 6.778 -4.413 1.00 0.00 C ATOM 0 HA PRO B 27 -13.993 5.086 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.119 3.838 -3.156 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.378 5.338 -2.288 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.967 4.951 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.176 5.931 -4.491 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.869 7.056 -5.424 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.634 7.656 -3.966 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.948 4.064 -4.754 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.238 3.013 -5.498 1.00 0.00 C ATOM 1289 C VAL B 28 -10.860 2.700 -4.902 1.00 0.00 C ATOM 1290 O VAL B 28 -10.466 1.535 -4.873 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.201 3.390 -6.984 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.274 2.493 -7.784 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.602 3.295 -7.606 1.00 0.00 C ATOM 0 H VAL B 28 -12.919 4.973 -5.217 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.784 2.074 -5.406 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.830 4.414 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.283 2.801 -8.830 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.261 2.574 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.612 1.460 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.551 3.567 -8.660 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -13.973 2.275 -7.512 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.277 3.976 -7.088 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.156 3.674 -4.312 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.950 3.411 -3.523 1.00 0.00 C ATOM 1305 C LEU B 29 -9.254 2.478 -2.331 1.00 0.00 C ATOM 1306 O LEU B 29 -8.483 1.557 -2.063 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.344 4.764 -3.099 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.541 5.508 -4.188 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -6.193 4.827 -4.417 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -8.221 5.638 -5.554 1.00 0.00 C ATOM 0 H LEU B 29 -10.406 4.661 -4.369 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.211 2.878 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.152 5.413 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.691 4.596 -2.243 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.443 6.516 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -5.640 5.364 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -5.621 4.832 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -6.355 3.798 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -7.565 6.177 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -8.425 4.645 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -9.158 6.184 -5.444 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.438 2.620 -1.720 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.006 1.711 -0.711 1.00 0.00 C ATOM 1324 C ALA B 30 -11.509 0.350 -1.268 1.00 0.00 C ATOM 1325 O ALA B 30 -12.210 -0.387 -0.569 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.103 2.466 0.056 1.00 0.00 C ATOM 0 H ALA B 30 -11.055 3.406 -1.924 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.200 1.423 -0.037 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.538 1.809 0.810 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.671 3.341 0.542 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.880 2.784 -0.639 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.131 -0.012 -2.505 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.298 -1.335 -3.117 1.00 0.00 C ATOM 1334 C LYS B 31 -9.975 -1.888 -3.652 1.00 0.00 C ATOM 1335 O LYS B 31 -9.644 -3.038 -3.384 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.376 -1.277 -4.222 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.102 -2.619 -4.414 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.166 -2.850 -3.328 1.00 0.00 C ATOM 1339 CE LYS B 31 -14.831 -4.223 -3.497 1.00 0.00 C ATOM 1340 NZ LYS B 31 -15.933 -4.417 -2.516 1.00 0.00 N ATOM 0 H LYS B 31 -10.677 0.648 -3.136 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.633 -2.026 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -13.105 -0.507 -3.972 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -11.911 -0.982 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.574 -2.640 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -12.376 -3.432 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -13.706 -2.783 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.922 -2.066 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -15.223 -4.317 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -14.086 -5.008 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -16.362 -5.354 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -15.553 -4.351 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.655 -3.682 -2.655 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.171 -1.047 -4.305 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.837 -1.415 -4.812 1.00 0.00 C ATOM 1356 C ILE B 32 -6.915 -1.797 -3.651 1.00 0.00 C ATOM 1357 O ILE B 32 -6.505 -2.953 -3.551 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.237 -0.298 -5.690 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.130 0.117 -6.882 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.913 -0.811 -6.272 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.779 1.528 -7.369 1.00 0.00 C ATOM 0 H ILE B 32 -9.426 -0.079 -4.502 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.941 -2.289 -5.455 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.122 0.575 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.006 -0.594 -7.698 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.178 0.082 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.467 -0.038 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.230 -1.058 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.100 -1.701 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.422 1.794 -8.208 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -7.928 2.240 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.737 1.554 -7.688 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.638 -0.861 -2.735 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.763 -1.122 -1.585 1.00 0.00 C ATOM 1375 C LEU B 33 -6.402 -2.084 -0.580 1.00 0.00 C ATOM 1376 O LEU B 33 -5.696 -2.836 0.090 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.271 0.207 -0.985 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.074 0.846 0.162 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.637 0.343 1.542 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.892 2.365 0.172 1.00 0.00 C ATOM 0 H LEU B 33 -7.009 0.088 -2.768 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.873 -1.652 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.253 0.051 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.217 0.934 -1.795 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.112 0.566 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.237 0.827 2.313 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.778 -0.736 1.597 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.585 0.580 1.699 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.469 2.795 0.991 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.837 2.604 0.306 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.241 2.779 -0.774 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.736 -2.110 -0.531 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.485 -3.081 0.262 1.00 0.00 C ATOM 1394 C GLU B 34 -8.188 -4.523 -0.185 1.00 0.00 C ATOM 1395 O GLU B 34 -8.059 -5.409 0.661 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.983 -2.754 0.188 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.896 -3.642 1.047 1.00 0.00 C ATOM 1398 CD GLU B 34 -10.608 -3.568 2.563 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -10.183 -2.504 3.073 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -10.850 -4.579 3.268 1.00 0.00 O ATOM 0 H GLU B 34 -8.327 -1.455 -1.043 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.167 -3.011 1.302 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.126 -1.716 0.490 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.303 -2.831 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -11.933 -3.355 0.871 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.791 -4.676 0.719 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.014 -4.768 -1.490 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.620 -6.083 -1.985 1.00 0.00 C ATOM 1409 C ASP B 35 -6.129 -6.392 -1.845 1.00 0.00 C ATOM 1410 O ASP B 35 -5.797 -7.486 -1.394 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.039 -6.249 -3.440 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.543 -6.167 -3.736 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.370 -6.564 -2.872 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.868 -5.766 -4.880 1.00 0.00 O ATOM 0 H ASP B 35 -8.142 -4.067 -2.220 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.141 -6.798 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.534 -5.484 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.675 -7.214 -3.791 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.213 -5.461 -2.144 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.777 -5.699 -1.928 1.00 0.00 C ATOM 1421 C GLU B 36 -3.437 -6.067 -0.475 1.00 0.00 C ATOM 1422 O GLU B 36 -2.474 -6.794 -0.234 1.00 0.00 O ATOM 1423 CB GLU B 36 -2.973 -4.450 -2.297 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.169 -3.910 -3.709 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.855 -4.895 -4.826 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.131 -5.909 -4.666 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.318 -4.676 -5.966 1.00 0.00 O ATOM 0 H GLU B 36 -5.436 -4.545 -2.532 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.515 -6.543 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.227 -3.659 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.915 -4.672 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.203 -3.581 -3.815 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.540 -3.029 -3.835 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.248 -5.615 0.488 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.059 -5.931 1.910 1.00 0.00 C ATOM 1436 C GLU B 37 -4.268 -7.431 2.183 1.00 0.00 C ATOM 1437 O GLU B 37 -3.587 -8.027 3.024 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.007 -5.061 2.752 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.674 -5.061 4.255 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.755 -5.745 5.121 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.108 -6.921 4.868 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -6.244 -5.110 6.089 1.00 0.00 O ATOM 0 H GLU B 37 -5.055 -5.019 0.304 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.031 -5.705 2.194 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -4.972 -4.037 2.381 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.029 -5.415 2.615 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -3.721 -5.567 4.409 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.546 -4.032 4.592 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.157 -8.050 1.398 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.436 -9.488 1.392 1.00 0.00 C ATOM 1451 C LYS B 38 -4.428 -10.248 0.545 1.00 0.00 C ATOM 1452 O LYS B 38 -3.925 -11.262 1.006 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.856 -9.758 0.864 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.918 -9.029 1.693 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.359 -9.263 1.223 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.607 -8.565 -0.118 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.050 -8.427 -0.444 1.00 0.00 N ATOM 0 H LYS B 38 -5.725 -7.540 0.722 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.357 -9.840 2.421 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.924 -9.439 -0.176 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.053 -10.830 0.882 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.832 -9.347 2.732 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.710 -7.959 1.668 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.546 -10.332 1.123 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -10.057 -8.886 1.970 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.149 -7.576 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.114 -9.128 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.160 -7.818 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.452 -9.365 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.549 -8.001 0.363 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.103 -9.763 -0.658 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.322 -10.443 -1.686 1.00 0.00 C ATOM 1473 C HIS B 39 -2.026 -11.095 -1.186 1.00 0.00 C ATOM 1474 O HIS B 39 -1.786 -12.265 -1.481 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.033 -9.400 -2.767 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.158 -9.048 -3.701 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.000 -8.223 -4.818 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.458 -9.454 -3.620 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.217 -8.145 -5.380 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.104 -8.899 -4.700 1.00 0.00 N ATOM 0 H HIS B 39 -4.397 -8.832 -0.953 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.902 -11.285 -2.063 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.704 -8.485 -2.274 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.196 -9.758 -3.366 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.142 -7.775 -5.139 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.893 -10.085 -2.859 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.453 -7.559 -6.256 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.085 -9.034 -4.944 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.217 -10.376 -0.401 1.00 0.00 N ATOM 1489 CA ILE B 40 0.053 -10.909 0.137 1.00 0.00 C ATOM 1490 C ILE B 40 -0.184 -12.116 1.052 1.00 0.00 C ATOM 1491 O ILE B 40 0.436 -13.165 0.876 1.00 0.00 O ATOM 1492 CB ILE B 40 0.848 -9.820 0.897 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.088 -8.608 -0.019 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.200 -10.370 1.392 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.894 -7.475 0.624 1.00 0.00 C ATOM 0 H ILE B 40 -1.415 -9.416 -0.119 1.00 0.00 H new ATOM 0 HA ILE B 40 0.644 -11.236 -0.719 1.00 0.00 H new ATOM 0 HB ILE B 40 0.261 -9.512 1.762 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.609 -8.944 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.123 -8.214 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.740 -9.586 1.923 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.027 -11.210 2.064 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.791 -10.704 0.539 1.00 0.00 H new ATOM 0 HD11 ILE B 40 2.015 -6.663 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.366 -7.107 1.504 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.875 -7.848 0.919 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.096 -11.979 2.017 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.466 -13.067 2.926 1.00 0.00 C ATOM 1509 C GLU B 41 -2.162 -14.204 2.171 1.00 0.00 C ATOM 1510 O GLU B 41 -1.853 -15.375 2.394 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.359 -12.531 4.060 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.634 -11.573 5.025 1.00 0.00 C ATOM 1513 CD GLU B 41 -0.829 -12.293 6.131 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -0.197 -13.344 5.872 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -0.812 -11.795 7.284 1.00 0.00 O ATOM 0 H GLU B 41 -1.600 -11.109 2.191 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.555 -13.473 3.365 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.213 -12.013 3.623 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.753 -13.374 4.628 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.959 -10.938 4.452 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -2.369 -10.917 5.492 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.025 -13.869 1.209 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.687 -14.806 0.310 1.00 0.00 C ATOM 1524 C TRP B 42 -2.703 -15.762 -0.365 1.00 0.00 C ATOM 1525 O TRP B 42 -2.899 -16.966 -0.227 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.580 -14.023 -0.676 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.969 -13.702 -0.214 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.498 -13.973 1.002 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.028 -13.036 -0.967 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.823 -13.581 1.029 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.203 -12.992 -0.159 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.107 -12.450 -2.248 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.399 -12.409 -0.609 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.288 -11.829 -2.696 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.434 -11.810 -1.880 1.00 0.00 C ATOM 0 H TRP B 42 -3.289 -12.900 1.031 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.336 -15.462 0.889 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.078 -13.087 -0.921 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.652 -14.597 -1.600 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.966 -14.426 1.825 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.443 -13.711 1.828 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.245 -12.478 -2.897 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.281 -12.421 0.014 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.315 -11.365 -3.671 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.339 -11.336 -2.230 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.608 -15.299 -0.987 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.646 -16.233 -1.602 1.00 0.00 C ATOM 1548 C LEU B 43 0.364 -16.882 -0.627 1.00 0.00 C ATOM 1549 O LEU B 43 1.233 -17.628 -1.074 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.017 -15.646 -2.872 1.00 0.00 C ATOM 1551 CG LEU B 43 1.083 -14.609 -2.617 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.435 -15.130 -3.100 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.816 -13.317 -3.382 1.00 0.00 C ATOM 0 H LEU B 43 -1.368 -14.312 -1.078 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.238 -17.092 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.399 -16.460 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.802 -15.184 -3.471 1.00 0.00 H new ATOM 0 HG LEU B 43 1.091 -14.423 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.203 -14.380 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.684 -16.047 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.385 -15.336 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.614 -12.603 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.780 -13.528 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.137 -12.896 -3.063 1.00 0.00 H new ATOM 1565 N GLU B 44 0.245 -16.660 0.690 1.00 0.00 N ATOM 1566 CA GLU B 44 1.149 -17.232 1.705 1.00 0.00 C ATOM 1567 C GLU B 44 0.445 -18.199 2.680 1.00 0.00 C ATOM 1568 O GLU B 44 1.033 -19.224 3.031 1.00 0.00 O ATOM 1569 CB GLU B 44 1.891 -16.104 2.449 1.00 0.00 C ATOM 1570 CG GLU B 44 3.141 -16.638 3.175 1.00 0.00 C ATOM 1571 CD GLU B 44 3.964 -15.547 3.896 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.392 -14.555 4.405 1.00 0.00 O ATOM 1573 OE2 GLU B 44 5.205 -15.710 4.004 1.00 0.00 O ATOM 0 H GLU B 44 -0.488 -16.073 1.087 1.00 0.00 H new ATOM 0 HA GLU B 44 1.879 -17.844 1.176 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.183 -15.329 1.740 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.220 -15.639 3.171 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.833 -17.387 3.904 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.781 -17.142 2.451 1.00 0.00 H new ATOM 1580 N THR B 45 -0.828 -17.969 3.040 1.00 0.00 N ATOM 1581 CA THR B 45 -1.648 -18.888 3.869 1.00 0.00 C ATOM 1582 C THR B 45 -1.742 -20.309 3.281 1.00 0.00 C ATOM 1583 O THR B 45 -1.890 -21.294 4.005 1.00 0.00 O ATOM 1584 CB THR B 45 -3.055 -18.277 4.047 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.971 -17.085 4.805 1.00 0.00 O ATOM 1586 CG2 THR B 45 -4.083 -19.158 4.757 1.00 0.00 C ATOM 0 H THR B 45 -1.331 -17.127 2.762 1.00 0.00 H new ATOM 0 HA THR B 45 -1.156 -18.996 4.836 1.00 0.00 H new ATOM 0 HB THR B 45 -3.400 -18.127 3.024 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.626 -16.362 4.240 1.00 0.00 H new ATOM 0 HG21 THR B 45 -5.032 -18.627 4.825 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.223 -20.080 4.193 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.728 -19.396 5.760 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.614 -20.417 1.957 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.667 -21.651 1.156 1.00 0.00 C ATOM 1596 C ILE B 46 -0.439 -22.555 1.371 1.00 0.00 C ATOM 1597 O ILE B 46 -0.544 -23.782 1.308 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.742 -21.247 -0.337 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.854 -20.214 -0.621 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.888 -22.452 -1.278 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -4.303 -20.686 -0.444 1.00 0.00 C ATOM 0 H ILE B 46 -1.460 -19.594 1.374 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.542 -22.222 1.468 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.782 -20.776 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.695 -19.356 0.032 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.735 -19.861 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.935 -22.104 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -1.031 -23.114 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.802 -22.994 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.983 -19.866 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.499 -21.520 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -4.458 -21.007 0.586 1.00 0.00 H new