USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 THR OG1 : rot -31:sc= 2.06 USER MOD Set 1.2: A 35 SER OG : rot -58:sc= 1.18 USER MOD Set 1.3: A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.2) USER MOD Single : A 22 SER OG : rot -140:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -2.62! (180deg=-3.51!) USER MOD Single : A 32 SER OG : rot 92:sc= 1.22 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -5.85! C(o=-5.9!,f=-7.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -177:sc= -4.1! (180deg=-4.31!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -6.813 -26.783 -17.708 1.00 0.00 N ATOM 46 CA GLN A 5 -7.558 -27.465 -16.613 1.00 0.00 C ATOM 47 C GLN A 5 -7.418 -26.657 -15.321 1.00 0.00 C ATOM 48 O GLN A 5 -6.326 -26.333 -14.897 1.00 0.00 O ATOM 49 CB GLN A 5 -6.986 -28.868 -16.403 1.00 0.00 C ATOM 50 CG GLN A 5 -7.816 -29.606 -15.351 1.00 0.00 C ATOM 51 CD GLN A 5 -7.154 -30.946 -15.028 1.00 0.00 C ATOM 52 OE1 GLN A 5 -6.063 -30.984 -14.492 1.00 0.00 O ATOM 53 NE2 GLN A 5 -7.771 -32.055 -15.331 1.00 0.00 N ATOM 0 HA GLN A 5 -8.612 -27.540 -16.882 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.996 -29.421 -17.343 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.946 -28.804 -16.082 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.898 -29.002 -14.448 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.829 -29.768 -15.719 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.686 -32.023 -15.781 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.338 -32.954 -15.118 1.00 0.00 H new ATOM 62 N LYS A 6 -8.513 -26.330 -14.692 1.00 0.00 N ATOM 63 CA LYS A 6 -8.440 -25.544 -13.429 1.00 0.00 C ATOM 64 C LYS A 6 -9.221 -26.268 -12.330 1.00 0.00 C ATOM 65 O LYS A 6 -10.265 -26.839 -12.571 1.00 0.00 O ATOM 66 CB LYS A 6 -9.047 -24.157 -13.656 1.00 0.00 C ATOM 67 CG LYS A 6 -10.548 -24.295 -13.920 1.00 0.00 C ATOM 68 CD LYS A 6 -11.123 -22.933 -14.313 1.00 0.00 C ATOM 69 CE LYS A 6 -12.651 -22.988 -14.255 1.00 0.00 C ATOM 70 NZ LYS A 6 -13.206 -21.620 -14.462 1.00 0.00 N ATOM 0 H LYS A 6 -9.455 -26.573 -14.998 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.398 -25.441 -13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.877 -23.526 -12.783 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.561 -23.669 -14.501 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.723 -25.019 -14.716 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.052 -24.671 -13.030 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.750 -22.161 -13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.796 -22.664 -15.318 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.030 -23.665 -15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.975 -23.382 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.245 -21.657 -14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.854 -20.986 -13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.907 -21.261 -15.391 1.00 0.00 H new ATOM 84 N ILE A 7 -8.722 -26.248 -11.125 1.00 0.00 N ATOM 85 CA ILE A 7 -9.435 -26.934 -10.011 1.00 0.00 C ATOM 86 C ILE A 7 -9.813 -25.910 -8.940 1.00 0.00 C ATOM 87 O ILE A 7 -9.052 -25.015 -8.628 1.00 0.00 O ATOM 88 CB ILE A 7 -8.523 -27.999 -9.401 1.00 0.00 C ATOM 89 CG1 ILE A 7 -8.127 -29.013 -10.477 1.00 0.00 C ATOM 90 CG2 ILE A 7 -9.263 -28.719 -8.271 1.00 0.00 C ATOM 91 CD1 ILE A 7 -7.119 -30.006 -9.896 1.00 0.00 C ATOM 0 H ILE A 7 -7.851 -25.786 -10.864 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.339 -27.407 -10.395 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.627 -27.523 -9.004 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.010 -29.542 -10.835 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.694 -28.499 -11.335 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.613 -29.478 -7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.544 -27.998 -7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.160 -29.194 -8.668 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.837 -30.728 -10.662 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.232 -29.469 -9.559 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.569 -30.529 -9.052 1.00 0.00 H new ATOM 103 N ARG A 8 -10.982 -26.032 -8.374 1.00 0.00 N ATOM 104 CA ARG A 8 -11.407 -25.064 -7.324 1.00 0.00 C ATOM 105 C ARG A 8 -11.604 -25.803 -5.999 1.00 0.00 C ATOM 106 O ARG A 8 -12.164 -26.881 -5.955 1.00 0.00 O ATOM 107 CB ARG A 8 -12.723 -24.404 -7.741 1.00 0.00 C ATOM 108 CG ARG A 8 -12.500 -23.583 -9.012 1.00 0.00 C ATOM 109 CD ARG A 8 -13.786 -22.833 -9.368 1.00 0.00 C ATOM 110 NE ARG A 8 -13.662 -22.252 -10.734 1.00 0.00 N ATOM 111 CZ ARG A 8 -14.615 -22.429 -11.607 1.00 0.00 C ATOM 112 NH1 ARG A 8 -14.825 -23.614 -12.114 1.00 0.00 N ATOM 113 NH2 ARG A 8 -15.359 -21.422 -11.973 1.00 0.00 N ATOM 0 H ARG A 8 -11.661 -26.760 -8.593 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.640 -24.299 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.485 -25.164 -7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.090 -23.762 -6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.684 -22.876 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.209 -24.237 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.638 -23.511 -9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.971 -22.043 -8.641 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.832 -21.716 -10.987 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.244 -24.402 -11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.570 -23.752 -12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.195 -20.497 -11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.104 -21.560 -12.656 1.00 0.00 H new ATOM 127 N ILE A 9 -11.149 -25.232 -4.916 1.00 0.00 N ATOM 128 CA ILE A 9 -11.312 -25.904 -3.597 1.00 0.00 C ATOM 129 C ILE A 9 -12.283 -25.098 -2.731 1.00 0.00 C ATOM 130 O ILE A 9 -12.188 -23.891 -2.633 1.00 0.00 O ATOM 131 CB ILE A 9 -9.954 -25.989 -2.896 1.00 0.00 C ATOM 132 CG1 ILE A 9 -8.936 -26.645 -3.831 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.090 -26.824 -1.621 1.00 0.00 C ATOM 134 CD1 ILE A 9 -9.533 -27.927 -4.415 1.00 0.00 C ATOM 0 H ILE A 9 -10.672 -24.331 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.707 -26.909 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.615 -24.986 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.667 -25.958 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.020 -26.873 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.123 -26.885 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.814 -26.355 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.430 -27.827 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.808 -28.395 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.780 -28.615 -3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.437 -27.686 -4.974 1.00 0.00 H new ATOM 146 N LYS A 10 -13.219 -25.756 -2.103 1.00 0.00 N ATOM 147 CA LYS A 10 -14.195 -25.028 -1.244 1.00 0.00 C ATOM 148 C LYS A 10 -13.917 -25.343 0.227 1.00 0.00 C ATOM 149 O LYS A 10 -13.721 -26.483 0.600 1.00 0.00 O ATOM 150 CB LYS A 10 -15.615 -25.469 -1.600 1.00 0.00 C ATOM 151 CG LYS A 10 -15.987 -24.924 -2.981 1.00 0.00 C ATOM 152 CD LYS A 10 -17.426 -25.319 -3.315 1.00 0.00 C ATOM 153 CE LYS A 10 -17.716 -24.996 -4.783 1.00 0.00 C ATOM 154 NZ LYS A 10 -19.189 -24.948 -5.000 1.00 0.00 N ATOM 0 H LYS A 10 -13.350 -26.767 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.095 -23.955 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.681 -26.557 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.319 -25.105 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.884 -23.839 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.306 -25.319 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.575 -26.383 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.121 -24.782 -2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.267 -24.040 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.267 -25.751 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.386 -24.729 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.606 -25.870 -4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.605 -24.212 -4.395 1.00 0.00 H new ATOM 168 N LEU A 11 -13.896 -24.343 1.064 1.00 0.00 N ATOM 169 CA LEU A 11 -13.629 -24.587 2.510 1.00 0.00 C ATOM 170 C LEU A 11 -14.887 -24.275 3.322 1.00 0.00 C ATOM 171 O LEU A 11 -15.519 -23.253 3.138 1.00 0.00 O ATOM 172 CB LEU A 11 -12.485 -23.685 2.976 1.00 0.00 C ATOM 173 CG LEU A 11 -11.313 -23.800 2.000 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.078 -23.128 2.603 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.013 -25.276 1.737 1.00 0.00 C ATOM 0 H LEU A 11 -14.052 -23.368 0.810 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.352 -25.631 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.824 -22.651 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.167 -23.972 3.978 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.572 -23.308 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.243 -23.210 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.292 -22.076 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.818 -23.619 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.178 -25.359 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.754 -25.767 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.893 -25.755 1.307 1.00 0.00 H new ATOM 187 N LYS A 12 -15.256 -25.146 4.221 1.00 0.00 N ATOM 188 CA LYS A 12 -16.472 -24.898 5.044 1.00 0.00 C ATOM 189 C LYS A 12 -16.097 -24.920 6.527 1.00 0.00 C ATOM 190 O LYS A 12 -15.428 -25.820 6.994 1.00 0.00 O ATOM 191 CB LYS A 12 -17.508 -25.989 4.764 1.00 0.00 C ATOM 192 CG LYS A 12 -17.926 -25.931 3.293 1.00 0.00 C ATOM 193 CD LYS A 12 -19.070 -26.918 3.049 1.00 0.00 C ATOM 194 CE LYS A 12 -19.446 -26.907 1.566 1.00 0.00 C ATOM 195 NZ LYS A 12 -20.840 -27.408 1.404 1.00 0.00 N ATOM 0 H LYS A 12 -14.767 -26.019 4.421 1.00 0.00 H new ATOM 0 HA LYS A 12 -16.891 -23.925 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.091 -26.969 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.378 -25.852 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.241 -24.921 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.078 -26.175 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.770 -27.921 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.934 -26.647 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -19.362 -25.896 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.755 -27.532 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.097 -27.401 0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.905 -28.379 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.493 -26.794 1.932 1.00 0.00 H new ATOM 209 N ALA A 13 -16.523 -23.937 7.271 1.00 0.00 N ATOM 210 CA ALA A 13 -16.190 -23.903 8.724 1.00 0.00 C ATOM 211 C ALA A 13 -17.145 -22.947 9.443 1.00 0.00 C ATOM 212 O ALA A 13 -17.550 -21.937 8.904 1.00 0.00 O ATOM 213 CB ALA A 13 -14.751 -23.417 8.906 1.00 0.00 C ATOM 0 H ALA A 13 -17.087 -23.156 6.936 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.292 -24.904 9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.507 -23.392 9.968 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.070 -24.096 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.649 -22.416 8.487 1.00 0.00 H new ATOM 219 N TYR A 14 -17.508 -23.260 10.656 1.00 0.00 N ATOM 220 CA TYR A 14 -18.437 -22.371 11.409 1.00 0.00 C ATOM 221 C TYR A 14 -17.755 -21.027 11.673 1.00 0.00 C ATOM 222 O TYR A 14 -18.383 -19.986 11.647 1.00 0.00 O ATOM 223 CB TYR A 14 -18.802 -23.027 12.743 1.00 0.00 C ATOM 224 CG TYR A 14 -19.520 -24.330 12.484 1.00 0.00 C ATOM 225 CD1 TYR A 14 -20.886 -24.326 12.174 1.00 0.00 C ATOM 226 CD2 TYR A 14 -18.821 -25.541 12.553 1.00 0.00 C ATOM 227 CE1 TYR A 14 -21.552 -25.535 11.934 1.00 0.00 C ATOM 228 CE2 TYR A 14 -19.487 -26.749 12.313 1.00 0.00 C ATOM 229 CZ TYR A 14 -20.853 -26.746 12.004 1.00 0.00 C ATOM 230 OH TYR A 14 -21.510 -27.936 11.768 1.00 0.00 O ATOM 0 H TYR A 14 -17.202 -24.093 11.159 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.342 -22.211 10.822 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -17.902 -23.206 13.331 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.436 -22.360 13.327 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.425 -23.392 12.120 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -17.768 -25.543 12.791 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.605 -25.533 11.695 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -18.947 -27.683 12.366 1.00 0.00 H new ATOM 0 HH TYR A 14 -20.879 -28.681 11.855 1.00 0.00 H new ATOM 240 N ASP A 15 -16.475 -21.039 11.927 1.00 0.00 N ATOM 241 CA ASP A 15 -15.756 -19.761 12.192 1.00 0.00 C ATOM 242 C ASP A 15 -15.038 -19.305 10.921 1.00 0.00 C ATOM 243 O ASP A 15 -14.149 -19.969 10.426 1.00 0.00 O ATOM 244 CB ASP A 15 -14.730 -19.976 13.305 1.00 0.00 C ATOM 245 CG ASP A 15 -15.455 -20.133 14.644 1.00 0.00 C ATOM 246 OD1 ASP A 15 -16.650 -19.893 14.680 1.00 0.00 O ATOM 247 OD2 ASP A 15 -14.802 -20.491 15.611 1.00 0.00 O ATOM 0 H ASP A 15 -15.896 -21.878 11.962 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.473 -18.999 12.498 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.132 -20.863 13.097 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.042 -19.131 13.348 1.00 0.00 H new ATOM 252 N HIS A 16 -15.415 -18.175 10.388 1.00 0.00 N ATOM 253 CA HIS A 16 -14.751 -17.678 9.150 1.00 0.00 C ATOM 254 C HIS A 16 -13.259 -17.476 9.423 1.00 0.00 C ATOM 255 O HIS A 16 -12.417 -17.880 8.646 1.00 0.00 O ATOM 256 CB HIS A 16 -15.378 -16.347 8.731 1.00 0.00 C ATOM 257 CG HIS A 16 -15.278 -15.366 9.866 1.00 0.00 C ATOM 258 ND1 HIS A 16 -14.275 -14.411 9.931 1.00 0.00 N ATOM 259 CD2 HIS A 16 -16.046 -15.178 10.989 1.00 0.00 C ATOM 260 CE1 HIS A 16 -14.464 -13.699 11.056 1.00 0.00 C ATOM 261 NE2 HIS A 16 -15.531 -14.126 11.739 1.00 0.00 N ATOM 0 H HIS A 16 -16.153 -17.575 10.756 1.00 0.00 H new ATOM 0 HA HIS A 16 -14.881 -18.406 8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.869 -15.954 7.851 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -16.422 -16.495 8.456 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.918 -15.759 11.250 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.831 -12.882 11.370 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.890 -13.759 12.620 1.00 0.00 H new ATOM 269 N GLU A 17 -12.926 -16.855 10.521 1.00 0.00 N ATOM 270 CA GLU A 17 -11.488 -16.631 10.841 1.00 0.00 C ATOM 271 C GLU A 17 -10.748 -17.968 10.795 1.00 0.00 C ATOM 272 O GLU A 17 -9.690 -18.083 10.208 1.00 0.00 O ATOM 273 CB GLU A 17 -11.363 -16.026 12.242 1.00 0.00 C ATOM 274 CG GLU A 17 -9.910 -15.616 12.491 1.00 0.00 C ATOM 275 CD GLU A 17 -9.778 -15.040 13.903 1.00 0.00 C ATOM 276 OE1 GLU A 17 -10.779 -14.993 14.598 1.00 0.00 O ATOM 277 OE2 GLU A 17 -8.678 -14.656 14.263 1.00 0.00 O ATOM 0 H GLU A 17 -13.586 -16.494 11.209 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.054 -15.946 10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.018 -15.160 12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.682 -16.749 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.253 -16.478 12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.598 -14.876 11.754 1.00 0.00 H new ATOM 284 N LEU A 18 -11.298 -18.983 11.403 1.00 0.00 N ATOM 285 CA LEU A 18 -10.628 -20.312 11.385 1.00 0.00 C ATOM 286 C LEU A 18 -10.526 -20.793 9.937 1.00 0.00 C ATOM 287 O LEU A 18 -9.524 -21.340 9.521 1.00 0.00 O ATOM 288 CB LEU A 18 -11.450 -21.306 12.208 1.00 0.00 C ATOM 289 CG LEU A 18 -10.699 -22.637 12.316 1.00 0.00 C ATOM 290 CD1 LEU A 18 -10.791 -23.379 10.984 1.00 0.00 C ATOM 291 CD2 LEU A 18 -9.229 -22.373 12.656 1.00 0.00 C ATOM 0 H LEU A 18 -12.182 -18.949 11.911 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.630 -20.235 11.815 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.637 -20.902 13.203 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.422 -21.463 11.740 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.146 -23.244 13.103 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.257 -24.327 11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.837 -23.569 10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.344 -22.771 10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.697 -23.321 12.732 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.777 -21.766 11.871 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.165 -21.844 13.607 1.00 0.00 H new ATOM 303 N LEU A 19 -11.556 -20.584 9.163 1.00 0.00 N ATOM 304 CA LEU A 19 -11.520 -21.019 7.739 1.00 0.00 C ATOM 305 C LEU A 19 -10.491 -20.172 6.987 1.00 0.00 C ATOM 306 O LEU A 19 -9.843 -20.634 6.069 1.00 0.00 O ATOM 307 CB LEU A 19 -12.901 -20.822 7.111 1.00 0.00 C ATOM 308 CG LEU A 19 -12.932 -21.474 5.728 1.00 0.00 C ATOM 309 CD1 LEU A 19 -14.381 -21.570 5.243 1.00 0.00 C ATOM 310 CD2 LEU A 19 -12.121 -20.628 4.745 1.00 0.00 C ATOM 0 H LEU A 19 -12.421 -20.130 9.456 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.245 -22.072 7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.668 -21.261 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.126 -19.759 7.028 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.500 -22.473 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.405 -22.035 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.960 -22.173 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.812 -20.570 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.144 -21.093 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.551 -19.628 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.089 -20.559 5.090 1.00 0.00 H new ATOM 322 N ASP A 20 -10.336 -18.936 7.375 1.00 0.00 N ATOM 323 CA ASP A 20 -9.349 -18.057 6.690 1.00 0.00 C ATOM 324 C ASP A 20 -7.941 -18.617 6.900 1.00 0.00 C ATOM 325 O ASP A 20 -7.118 -18.607 6.006 1.00 0.00 O ATOM 326 CB ASP A 20 -9.431 -16.646 7.278 1.00 0.00 C ATOM 327 CG ASP A 20 -10.689 -15.949 6.757 1.00 0.00 C ATOM 328 OD1 ASP A 20 -11.308 -16.486 5.853 1.00 0.00 O ATOM 329 OD2 ASP A 20 -11.013 -14.891 7.271 1.00 0.00 O ATOM 0 H ASP A 20 -10.851 -18.497 8.138 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.570 -18.019 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.454 -16.695 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.545 -16.074 7.003 1.00 0.00 H new ATOM 334 N GLU A 21 -7.659 -19.109 8.077 1.00 0.00 N ATOM 335 CA GLU A 21 -6.307 -19.672 8.343 1.00 0.00 C ATOM 336 C GLU A 21 -6.086 -20.902 7.463 1.00 0.00 C ATOM 337 O GLU A 21 -5.078 -21.029 6.797 1.00 0.00 O ATOM 338 CB GLU A 21 -6.203 -20.073 9.817 1.00 0.00 C ATOM 339 CG GLU A 21 -6.297 -18.824 10.695 1.00 0.00 C ATOM 340 CD GLU A 21 -5.133 -17.884 10.370 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.175 -18.344 9.772 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.221 -16.721 10.726 1.00 0.00 O ATOM 0 H GLU A 21 -8.307 -19.145 8.864 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.549 -18.922 8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.001 -20.770 10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.260 -20.588 9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.247 -18.317 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.270 -19.104 11.748 1.00 0.00 H new ATOM 349 N SER A 22 -7.022 -21.811 7.452 1.00 0.00 N ATOM 350 CA SER A 22 -6.867 -23.032 6.612 1.00 0.00 C ATOM 351 C SER A 22 -6.702 -22.624 5.147 1.00 0.00 C ATOM 352 O SER A 22 -5.844 -23.123 4.446 1.00 0.00 O ATOM 353 CB SER A 22 -8.107 -23.915 6.759 1.00 0.00 C ATOM 354 OG SER A 22 -8.305 -24.228 8.130 1.00 0.00 O ATOM 0 H SER A 22 -7.888 -21.761 7.989 1.00 0.00 H new ATOM 0 HA SER A 22 -5.987 -23.587 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.982 -23.400 6.362 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.986 -24.830 6.180 1.00 0.00 H new ATOM 0 HG SER A 22 -8.588 -25.162 8.215 1.00 0.00 H new ATOM 360 N ALA A 23 -7.517 -21.719 4.678 1.00 0.00 N ATOM 361 CA ALA A 23 -7.404 -21.280 3.258 1.00 0.00 C ATOM 362 C ALA A 23 -6.038 -20.629 3.035 1.00 0.00 C ATOM 363 O ALA A 23 -5.314 -20.979 2.124 1.00 0.00 O ATOM 364 CB ALA A 23 -8.508 -20.268 2.947 1.00 0.00 C ATOM 0 H ALA A 23 -8.255 -21.265 5.216 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.508 -22.143 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.425 -19.947 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.482 -20.731 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.405 -19.404 3.603 1.00 0.00 H new ATOM 370 N LYS A 24 -5.679 -19.684 3.861 1.00 0.00 N ATOM 371 CA LYS A 24 -4.359 -19.013 3.695 1.00 0.00 C ATOM 372 C LYS A 24 -3.246 -20.059 3.756 1.00 0.00 C ATOM 373 O LYS A 24 -2.337 -20.059 2.950 1.00 0.00 O ATOM 374 CB LYS A 24 -4.163 -17.993 4.819 1.00 0.00 C ATOM 375 CG LYS A 24 -4.758 -16.648 4.398 1.00 0.00 C ATOM 376 CD LYS A 24 -4.680 -15.667 5.570 1.00 0.00 C ATOM 377 CE LYS A 24 -3.328 -14.951 5.547 1.00 0.00 C ATOM 378 NZ LYS A 24 -2.542 -15.337 6.752 1.00 0.00 N ATOM 0 H LYS A 24 -6.242 -19.348 4.642 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.327 -18.504 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.643 -18.345 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.102 -17.880 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.215 -16.251 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.795 -16.778 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.490 -14.940 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.806 -16.199 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.780 -15.215 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.476 -13.871 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.623 -14.851 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.064 -15.064 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.389 -16.366 6.752 1.00 0.00 H new ATOM 392 N LYS A 25 -3.308 -20.953 4.704 1.00 0.00 N ATOM 393 CA LYS A 25 -2.254 -21.999 4.815 1.00 0.00 C ATOM 394 C LYS A 25 -2.219 -22.822 3.526 1.00 0.00 C ATOM 395 O LYS A 25 -1.169 -23.086 2.974 1.00 0.00 O ATOM 396 CB LYS A 25 -2.568 -22.918 5.998 1.00 0.00 C ATOM 397 CG LYS A 25 -2.323 -22.166 7.307 1.00 0.00 C ATOM 398 CD LYS A 25 -2.486 -23.130 8.484 1.00 0.00 C ATOM 399 CE LYS A 25 -2.432 -22.346 9.797 1.00 0.00 C ATOM 400 NZ LYS A 25 -1.010 -22.147 10.198 1.00 0.00 N ATOM 0 H LYS A 25 -4.045 -21.004 5.408 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.285 -21.525 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.604 -23.253 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.942 -23.810 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.321 -21.736 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.026 -21.338 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.434 -23.661 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.697 -23.882 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.926 -21.382 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.969 -22.885 10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.972 -21.614 11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.553 -23.072 10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.511 -21.616 9.456 1.00 0.00 H new ATOM 414 N ILE A 26 -3.359 -23.231 3.042 1.00 0.00 N ATOM 415 CA ILE A 26 -3.393 -24.037 1.789 1.00 0.00 C ATOM 416 C ILE A 26 -2.873 -23.191 0.625 1.00 0.00 C ATOM 417 O ILE A 26 -2.135 -23.664 -0.218 1.00 0.00 O ATOM 418 CB ILE A 26 -4.832 -24.471 1.501 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.322 -25.391 2.620 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.882 -25.219 0.167 1.00 0.00 C ATOM 421 CD1 ILE A 26 -6.825 -25.632 2.459 1.00 0.00 C ATOM 0 H ILE A 26 -4.270 -23.042 3.460 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.764 -24.919 1.907 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.473 -23.591 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.785 -26.339 2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.117 -24.941 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.907 -25.528 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.534 -24.563 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.241 -26.099 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.176 -26.288 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.354 -24.680 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.017 -26.100 1.493 1.00 0.00 H new ATOM 433 N VAL A 27 -3.250 -21.943 0.571 1.00 0.00 N ATOM 434 CA VAL A 27 -2.778 -21.069 -0.539 1.00 0.00 C ATOM 435 C VAL A 27 -1.252 -20.969 -0.497 1.00 0.00 C ATOM 436 O VAL A 27 -0.583 -21.098 -1.505 1.00 0.00 O ATOM 437 CB VAL A 27 -3.383 -19.673 -0.379 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.753 -18.724 -1.403 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.894 -19.741 -0.611 1.00 0.00 C ATOM 0 H VAL A 27 -3.865 -21.491 1.248 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.088 -21.495 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.186 -19.306 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.183 -17.729 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.677 -18.675 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.950 -19.092 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.325 -18.746 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.091 -20.109 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.344 -20.417 0.116 1.00 0.00 H new ATOM 449 N GLU A 28 -0.693 -20.741 0.660 1.00 0.00 N ATOM 450 CA GLU A 28 0.789 -20.632 0.765 1.00 0.00 C ATOM 451 C GLU A 28 1.431 -21.952 0.331 1.00 0.00 C ATOM 452 O GLU A 28 2.433 -21.969 -0.357 1.00 0.00 O ATOM 453 CB GLU A 28 1.177 -20.328 2.213 1.00 0.00 C ATOM 454 CG GLU A 28 0.639 -18.952 2.608 1.00 0.00 C ATOM 455 CD GLU A 28 1.104 -18.608 4.024 1.00 0.00 C ATOM 456 OE1 GLU A 28 1.661 -19.480 4.670 1.00 0.00 O ATOM 457 OE2 GLU A 28 0.894 -17.480 4.439 1.00 0.00 O ATOM 0 H GLU A 28 -1.199 -20.625 1.538 1.00 0.00 H new ATOM 0 HA GLU A 28 1.140 -19.828 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.773 -21.092 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.261 -20.351 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.991 -18.197 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.450 -18.949 2.561 1.00 0.00 H new ATOM 464 N VAL A 29 0.864 -23.057 0.726 1.00 0.00 N ATOM 465 CA VAL A 29 1.445 -24.374 0.337 1.00 0.00 C ATOM 466 C VAL A 29 1.181 -24.630 -1.148 1.00 0.00 C ATOM 467 O VAL A 29 2.026 -25.137 -1.860 1.00 0.00 O ATOM 468 CB VAL A 29 0.798 -25.483 1.168 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.486 -26.815 0.866 1.00 0.00 C ATOM 470 CG2 VAL A 29 0.946 -25.158 2.656 1.00 0.00 C ATOM 0 H VAL A 29 0.023 -23.106 1.301 1.00 0.00 H new ATOM 0 HA VAL A 29 2.520 -24.364 0.519 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.260 -25.556 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.025 -27.605 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.380 -27.047 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.544 -26.743 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.485 -25.948 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.004 -25.085 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.455 -24.209 2.872 1.00 0.00 H new ATOM 480 N ALA A 30 0.015 -24.287 -1.623 1.00 0.00 N ATOM 481 CA ALA A 30 -0.300 -24.512 -3.061 1.00 0.00 C ATOM 482 C ALA A 30 0.601 -23.630 -3.927 1.00 0.00 C ATOM 483 O ALA A 30 1.177 -24.079 -4.898 1.00 0.00 O ATOM 484 CB ALA A 30 -1.765 -24.158 -3.324 1.00 0.00 C ATOM 0 H ALA A 30 -0.733 -23.860 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.129 -25.559 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.996 -24.323 -4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.408 -24.788 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.937 -23.111 -3.074 1.00 0.00 H new ATOM 490 N LYS A 31 0.729 -22.377 -3.584 1.00 0.00 N ATOM 491 CA LYS A 31 1.592 -21.468 -4.390 1.00 0.00 C ATOM 492 C LYS A 31 3.026 -22.004 -4.404 1.00 0.00 C ATOM 493 O LYS A 31 3.719 -21.922 -5.398 1.00 0.00 O ATOM 494 CB LYS A 31 1.577 -20.069 -3.770 1.00 0.00 C ATOM 495 CG LYS A 31 0.197 -19.440 -3.966 1.00 0.00 C ATOM 496 CD LYS A 31 0.222 -17.992 -3.471 1.00 0.00 C ATOM 497 CE LYS A 31 -1.180 -17.390 -3.585 1.00 0.00 C ATOM 498 NZ LYS A 31 -1.416 -16.461 -2.444 1.00 0.00 N ATOM 0 H LYS A 31 0.273 -21.944 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 31 1.213 -21.418 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.814 -20.128 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.342 -19.446 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.082 -19.471 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.555 -20.009 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.562 -17.956 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.929 -17.407 -4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.282 -16.856 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.929 -18.182 -3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.435 -16.277 -2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.061 -16.892 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.917 -15.565 -2.617 1.00 0.00 H new ATOM 512 N SER A 32 3.475 -22.552 -3.308 1.00 0.00 N ATOM 513 CA SER A 32 4.863 -23.092 -3.261 1.00 0.00 C ATOM 514 C SER A 32 5.040 -24.145 -4.357 1.00 0.00 C ATOM 515 O SER A 32 6.117 -24.324 -4.890 1.00 0.00 O ATOM 516 CB SER A 32 5.115 -23.731 -1.895 1.00 0.00 C ATOM 517 OG SER A 32 4.822 -22.793 -0.871 1.00 0.00 O ATOM 0 H SER A 32 2.941 -22.649 -2.444 1.00 0.00 H new ATOM 0 HA SER A 32 5.573 -22.281 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.494 -24.619 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.153 -24.055 -1.819 1.00 0.00 H new ATOM 0 HG SER A 32 3.890 -22.899 -0.587 1.00 0.00 H new ATOM 523 N THR A 33 3.991 -24.842 -4.698 1.00 0.00 N ATOM 524 CA THR A 33 4.102 -25.883 -5.760 1.00 0.00 C ATOM 525 C THR A 33 4.150 -25.208 -7.132 1.00 0.00 C ATOM 526 O THR A 33 3.815 -24.050 -7.278 1.00 0.00 O ATOM 527 CB THR A 33 2.888 -26.812 -5.692 1.00 0.00 C ATOM 528 OG1 THR A 33 1.731 -26.110 -6.122 1.00 0.00 O ATOM 529 CG2 THR A 33 2.691 -27.293 -4.253 1.00 0.00 C ATOM 0 H THR A 33 3.063 -24.736 -4.288 1.00 0.00 H new ATOM 0 HA THR A 33 5.013 -26.462 -5.607 1.00 0.00 H new ATOM 0 HB THR A 33 3.052 -27.673 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.823 -25.160 -5.900 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.826 -27.955 -4.206 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.579 -27.833 -3.925 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.527 -26.435 -3.602 1.00 0.00 H new ATOM 537 N ASN A 34 4.566 -25.924 -8.140 1.00 0.00 N ATOM 538 CA ASN A 34 4.636 -25.324 -9.503 1.00 0.00 C ATOM 539 C ASN A 34 3.247 -24.829 -9.913 1.00 0.00 C ATOM 540 O ASN A 34 3.109 -23.837 -10.600 1.00 0.00 O ATOM 541 CB ASN A 34 5.118 -26.378 -10.501 1.00 0.00 C ATOM 542 CG ASN A 34 5.479 -25.701 -11.825 1.00 0.00 C ATOM 543 OD1 ASN A 34 6.378 -24.885 -11.877 1.00 0.00 O ATOM 544 ND2 ASN A 34 4.811 -26.006 -12.904 1.00 0.00 N ATOM 0 H ASN A 34 4.861 -26.899 -8.079 1.00 0.00 H new ATOM 0 HA ASN A 34 5.333 -24.486 -9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.985 -26.903 -10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.340 -27.124 -10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.044 -25.559 -13.791 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.056 -26.691 -12.860 1.00 0.00 H new ATOM 551 N SER A 35 2.217 -25.515 -9.498 1.00 0.00 N ATOM 552 CA SER A 35 0.839 -25.084 -9.865 1.00 0.00 C ATOM 553 C SER A 35 0.559 -23.704 -9.268 1.00 0.00 C ATOM 554 O SER A 35 1.183 -23.294 -8.309 1.00 0.00 O ATOM 555 CB SER A 35 -0.173 -26.092 -9.316 1.00 0.00 C ATOM 556 OG SER A 35 -0.304 -25.914 -7.913 1.00 0.00 O ATOM 0 H SER A 35 2.271 -26.355 -8.921 1.00 0.00 H new ATOM 0 HA SER A 35 0.751 -25.034 -10.950 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.139 -25.956 -9.803 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.154 -27.108 -9.536 1.00 0.00 H new ATOM 0 HG SER A 35 0.572 -26.021 -7.487 1.00 0.00 H new ATOM 562 N LYS A 36 -0.376 -22.985 -9.826 1.00 0.00 N ATOM 563 CA LYS A 36 -0.696 -21.632 -9.289 1.00 0.00 C ATOM 564 C LYS A 36 -2.091 -21.651 -8.659 1.00 0.00 C ATOM 565 O LYS A 36 -2.976 -22.351 -9.110 1.00 0.00 O ATOM 566 CB LYS A 36 -0.665 -20.611 -10.428 1.00 0.00 C ATOM 567 CG LYS A 36 0.753 -20.521 -10.994 1.00 0.00 C ATOM 568 CD LYS A 36 0.777 -19.524 -12.154 1.00 0.00 C ATOM 569 CE LYS A 36 0.538 -18.111 -11.618 1.00 0.00 C ATOM 570 NZ LYS A 36 -0.743 -17.581 -12.164 1.00 0.00 N ATOM 0 H LYS A 36 -0.932 -23.276 -10.630 1.00 0.00 H new ATOM 0 HA LYS A 36 0.040 -21.357 -8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.363 -20.904 -11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.985 -19.635 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.447 -20.206 -10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.082 -21.502 -11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.737 -19.572 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.010 -19.782 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.503 -18.125 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.364 -17.459 -11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.905 -16.621 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.693 -17.553 -13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.527 -18.199 -11.872 1.00 0.00 H new ATOM 584 N VAL A 37 -2.295 -20.888 -7.622 1.00 0.00 N ATOM 585 CA VAL A 37 -3.632 -20.864 -6.966 1.00 0.00 C ATOM 586 C VAL A 37 -4.160 -19.429 -6.935 1.00 0.00 C ATOM 587 O VAL A 37 -3.421 -18.490 -6.712 1.00 0.00 O ATOM 588 CB VAL A 37 -3.510 -21.394 -5.537 1.00 0.00 C ATOM 589 CG1 VAL A 37 -4.900 -21.468 -4.900 1.00 0.00 C ATOM 590 CG2 VAL A 37 -2.886 -22.791 -5.562 1.00 0.00 C ATOM 0 H VAL A 37 -1.593 -20.280 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.323 -21.493 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.878 -20.724 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.814 -21.846 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.345 -20.473 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.532 -22.138 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.799 -23.169 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.518 -23.461 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.896 -22.739 -6.016 1.00 0.00 H new ATOM 600 N SER A 38 -5.434 -19.250 -7.155 1.00 0.00 N ATOM 601 CA SER A 38 -6.008 -17.875 -7.138 1.00 0.00 C ATOM 602 C SER A 38 -7.026 -17.762 -6.002 1.00 0.00 C ATOM 603 O SER A 38 -7.805 -18.663 -5.762 1.00 0.00 O ATOM 604 CB SER A 38 -6.699 -17.595 -8.472 1.00 0.00 C ATOM 605 OG SER A 38 -7.078 -16.228 -8.532 1.00 0.00 O ATOM 0 H SER A 38 -6.102 -19.997 -7.346 1.00 0.00 H new ATOM 0 HA SER A 38 -5.209 -17.149 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.029 -17.834 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.577 -18.232 -8.579 1.00 0.00 H new ATOM 0 HG SER A 38 -7.520 -16.048 -9.388 1.00 0.00 H new ATOM 611 N GLY A 39 -7.025 -16.663 -5.299 1.00 0.00 N ATOM 612 CA GLY A 39 -7.993 -16.493 -4.179 1.00 0.00 C ATOM 613 C GLY A 39 -7.232 -16.161 -2.894 1.00 0.00 C ATOM 614 O GLY A 39 -6.176 -15.558 -2.926 1.00 0.00 O ATOM 0 H GLY A 39 -6.395 -15.875 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.699 -15.696 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.574 -17.405 -4.045 1.00 0.00 H new ATOM 618 N PRO A 40 -7.783 -16.565 -1.740 1.00 0.00 N ATOM 619 CA PRO A 40 -9.056 -17.292 -1.682 1.00 0.00 C ATOM 620 C PRO A 40 -10.242 -16.394 -2.045 1.00 0.00 C ATOM 621 O PRO A 40 -10.267 -15.223 -1.723 1.00 0.00 O ATOM 622 CB PRO A 40 -9.158 -17.720 -0.218 1.00 0.00 C ATOM 623 CG PRO A 40 -8.329 -16.725 0.521 1.00 0.00 C ATOM 624 CD PRO A 40 -7.207 -16.343 -0.403 1.00 0.00 C ATOM 0 HA PRO A 40 -9.083 -18.123 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.192 -17.710 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.784 -18.734 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.921 -15.852 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.943 -17.152 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.905 -15.305 -0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.322 -16.958 -0.238 1.00 0.00 H new ATOM 632 N ILE A 41 -11.224 -16.933 -2.714 1.00 0.00 N ATOM 633 CA ILE A 41 -12.405 -16.108 -3.096 1.00 0.00 C ATOM 634 C ILE A 41 -13.513 -16.295 -2.056 1.00 0.00 C ATOM 635 O ILE A 41 -13.907 -17.402 -1.749 1.00 0.00 O ATOM 636 CB ILE A 41 -12.913 -16.552 -4.470 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.729 -16.684 -5.431 1.00 0.00 C ATOM 638 CG2 ILE A 41 -13.895 -15.513 -5.011 1.00 0.00 C ATOM 639 CD1 ILE A 41 -12.225 -17.194 -6.786 1.00 0.00 C ATOM 0 H ILE A 41 -11.260 -17.908 -3.012 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.119 -15.057 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.417 -17.514 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.236 -15.719 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.989 -17.371 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.257 -15.829 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.738 -15.417 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.392 -14.551 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.382 -17.288 -7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.698 -18.168 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.949 -16.490 -7.197 1.00 0.00 H new ATOM 651 N PRO A 42 -14.018 -15.182 -1.503 1.00 0.00 N ATOM 652 CA PRO A 42 -15.081 -15.213 -0.490 1.00 0.00 C ATOM 653 C PRO A 42 -16.422 -15.653 -1.085 1.00 0.00 C ATOM 654 O PRO A 42 -16.808 -15.226 -2.155 1.00 0.00 O ATOM 655 CB PRO A 42 -15.168 -13.761 -0.019 1.00 0.00 C ATOM 656 CG PRO A 42 -14.648 -12.963 -1.165 1.00 0.00 C ATOM 657 CD PRO A 42 -13.594 -13.808 -1.823 1.00 0.00 C ATOM 0 HA PRO A 42 -14.865 -15.922 0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.194 -13.484 0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.573 -13.599 0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.447 -12.723 -1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.230 -12.017 -0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.555 -13.639 -2.899 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.601 -13.591 -1.430 1.00 0.00 H new ATOM 665 N LEU A 43 -17.135 -16.504 -0.399 1.00 0.00 N ATOM 666 CA LEU A 43 -18.450 -16.971 -0.924 1.00 0.00 C ATOM 667 C LEU A 43 -19.554 -16.615 0.073 1.00 0.00 C ATOM 668 O LEU A 43 -19.292 -16.109 1.147 1.00 0.00 O ATOM 669 CB LEU A 43 -18.409 -18.488 -1.120 1.00 0.00 C ATOM 670 CG LEU A 43 -18.454 -18.810 -2.614 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.029 -18.868 -3.166 1.00 0.00 C ATOM 672 CD2 LEU A 43 -19.137 -20.164 -2.824 1.00 0.00 C ATOM 0 H LEU A 43 -16.864 -16.896 0.503 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.654 -16.486 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.502 -18.898 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.253 -18.954 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.015 -18.035 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.060 -19.098 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.541 -17.905 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.468 -19.643 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -19.169 -20.394 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -18.576 -20.939 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -20.153 -20.124 -2.430 1.00 0.00 H new ATOM 684 N PRO A 44 -20.814 -16.888 -0.294 1.00 0.00 N ATOM 685 CA PRO A 44 -21.970 -16.600 0.564 1.00 0.00 C ATOM 686 C PRO A 44 -22.026 -17.538 1.772 1.00 0.00 C ATOM 687 O PRO A 44 -21.781 -18.723 1.662 1.00 0.00 O ATOM 688 CB PRO A 44 -23.167 -16.855 -0.350 1.00 0.00 C ATOM 689 CG PRO A 44 -22.664 -17.819 -1.371 1.00 0.00 C ATOM 690 CD PRO A 44 -21.211 -17.498 -1.576 1.00 0.00 C ATOM 0 HA PRO A 44 -21.936 -15.590 0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.008 -17.269 0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.515 -15.932 -0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.791 -18.847 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.219 -17.722 -2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.628 -18.393 -1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.064 -16.812 -2.410 1.00 0.00 H new ATOM 698 N THR A 45 -22.348 -17.019 2.926 1.00 0.00 N ATOM 699 CA THR A 45 -22.421 -17.882 4.138 1.00 0.00 C ATOM 700 C THR A 45 -23.845 -18.416 4.297 1.00 0.00 C ATOM 701 O THR A 45 -24.779 -17.903 3.713 1.00 0.00 O ATOM 702 CB THR A 45 -22.040 -17.061 5.372 1.00 0.00 C ATOM 703 OG1 THR A 45 -23.094 -16.160 5.682 1.00 0.00 O ATOM 704 CG2 THR A 45 -20.760 -16.274 5.089 1.00 0.00 C ATOM 0 H THR A 45 -22.564 -16.034 3.081 1.00 0.00 H new ATOM 0 HA THR A 45 -21.730 -18.718 4.032 1.00 0.00 H new ATOM 0 HB THR A 45 -21.872 -17.730 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 45 -22.853 -15.634 6.473 1.00 0.00 H new ATOM 0 HG21 THR A 45 -20.490 -15.690 5.969 1.00 0.00 H new ATOM 0 HG22 THR A 45 -19.952 -16.966 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 45 -20.924 -15.604 4.245 1.00 0.00 H new ATOM 762 N VAL A 49 -22.541 -20.318 8.932 1.00 0.00 N ATOM 763 CA VAL A 49 -21.314 -20.993 8.424 1.00 0.00 C ATOM 764 C VAL A 49 -20.743 -20.200 7.247 1.00 0.00 C ATOM 765 O VAL A 49 -21.462 -19.786 6.359 1.00 0.00 O ATOM 766 CB VAL A 49 -21.667 -22.409 7.962 1.00 0.00 C ATOM 767 CG1 VAL A 49 -20.399 -23.121 7.487 1.00 0.00 C ATOM 768 CG2 VAL A 49 -22.284 -23.187 9.125 1.00 0.00 C ATOM 0 HA VAL A 49 -20.571 -21.044 9.220 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.383 -22.355 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -20.650 -24.129 7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -19.960 -22.567 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -19.683 -23.174 8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -22.535 -24.195 8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -21.569 -23.241 9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.188 -22.680 9.463 1.00 0.00 H new ATOM 778 N HIS A 50 -19.456 -19.985 7.233 1.00 0.00 N ATOM 779 CA HIS A 50 -18.841 -19.219 6.113 1.00 0.00 C ATOM 780 C HIS A 50 -18.148 -20.190 5.153 1.00 0.00 C ATOM 781 O HIS A 50 -17.660 -21.229 5.553 1.00 0.00 O ATOM 782 CB HIS A 50 -17.814 -18.235 6.671 1.00 0.00 C ATOM 783 CG HIS A 50 -18.485 -17.312 7.652 1.00 0.00 C ATOM 784 ND1 HIS A 50 -18.874 -16.026 7.310 1.00 0.00 N ATOM 785 CD2 HIS A 50 -18.843 -17.475 8.967 1.00 0.00 C ATOM 786 CE1 HIS A 50 -19.438 -15.471 8.398 1.00 0.00 C ATOM 787 NE2 HIS A 50 -19.444 -16.311 9.437 1.00 0.00 N ATOM 0 H HIS A 50 -18.804 -20.307 7.949 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.617 -18.670 5.579 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.004 -18.776 7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.368 -17.659 5.860 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.683 -18.371 9.549 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -19.837 -14.468 8.428 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -19.810 -16.137 10.373 1.00 0.00 H new ATOM 795 N LYS A 51 -18.104 -19.863 3.891 1.00 0.00 N ATOM 796 CA LYS A 51 -17.444 -20.770 2.910 1.00 0.00 C ATOM 797 C LYS A 51 -16.561 -19.951 1.967 1.00 0.00 C ATOM 798 O LYS A 51 -16.914 -18.863 1.557 1.00 0.00 O ATOM 799 CB LYS A 51 -18.511 -21.506 2.099 1.00 0.00 C ATOM 800 CG LYS A 51 -19.396 -22.324 3.041 1.00 0.00 C ATOM 801 CD LYS A 51 -20.312 -23.232 2.219 1.00 0.00 C ATOM 802 CE LYS A 51 -21.179 -22.377 1.293 1.00 0.00 C ATOM 803 NZ LYS A 51 -22.142 -23.252 0.566 1.00 0.00 N ATOM 0 H LYS A 51 -18.496 -19.008 3.497 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.828 -21.494 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.117 -20.791 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.039 -22.161 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.778 -22.923 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.991 -21.659 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.717 -23.933 1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.943 -23.825 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.718 -21.627 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.551 -21.840 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.732 -22.671 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.618 -23.951 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.749 -23.745 1.252 1.00 0.00 H new ATOM 817 N ARG A 52 -15.416 -20.468 1.616 1.00 0.00 N ATOM 818 CA ARG A 52 -14.510 -19.722 0.696 1.00 0.00 C ATOM 819 C ARG A 52 -14.194 -20.595 -0.520 1.00 0.00 C ATOM 820 O ARG A 52 -14.202 -21.808 -0.444 1.00 0.00 O ATOM 821 CB ARG A 52 -13.213 -19.375 1.429 1.00 0.00 C ATOM 822 CG ARG A 52 -13.521 -18.424 2.586 1.00 0.00 C ATOM 823 CD ARG A 52 -12.210 -17.915 3.191 1.00 0.00 C ATOM 824 NE ARG A 52 -11.621 -16.878 2.298 1.00 0.00 N ATOM 825 CZ ARG A 52 -11.306 -15.706 2.778 1.00 0.00 C ATOM 826 NH1 ARG A 52 -10.449 -15.609 3.756 1.00 0.00 N ATOM 827 NH2 ARG A 52 -11.852 -14.630 2.279 1.00 0.00 N ATOM 0 H ARG A 52 -15.068 -21.375 1.926 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.996 -18.803 0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.741 -20.283 1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.507 -18.911 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.120 -17.585 2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.110 -18.938 3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.392 -17.497 4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.510 -18.741 3.318 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.464 -17.084 1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.024 -16.450 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.204 -14.692 4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.524 -14.706 1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.607 -13.713 2.653 1.00 0.00 H new ATOM 841 N LEU A 53 -13.916 -19.989 -1.642 1.00 0.00 N ATOM 842 CA LEU A 53 -13.601 -20.787 -2.860 1.00 0.00 C ATOM 843 C LEU A 53 -12.210 -20.413 -3.373 1.00 0.00 C ATOM 844 O LEU A 53 -11.887 -19.252 -3.530 1.00 0.00 O ATOM 845 CB LEU A 53 -14.640 -20.494 -3.944 1.00 0.00 C ATOM 846 CG LEU A 53 -14.369 -21.378 -5.162 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.764 -22.822 -4.842 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.192 -20.875 -6.350 1.00 0.00 C ATOM 0 H LEU A 53 -13.893 -18.977 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.622 -21.848 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.643 -20.681 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.598 -19.442 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.309 -21.338 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.571 -23.453 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.178 -23.180 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.824 -22.862 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.999 -21.505 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.252 -20.915 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.911 -19.847 -6.578 1.00 0.00 H new ATOM 860 N ILE A 54 -11.383 -21.387 -3.638 1.00 0.00 N ATOM 861 CA ILE A 54 -10.014 -21.089 -4.143 1.00 0.00 C ATOM 862 C ILE A 54 -9.841 -21.703 -5.534 1.00 0.00 C ATOM 863 O ILE A 54 -10.055 -22.882 -5.733 1.00 0.00 O ATOM 864 CB ILE A 54 -8.976 -21.685 -3.190 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.185 -21.114 -1.786 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.571 -21.329 -3.680 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.183 -21.752 -0.822 1.00 0.00 C ATOM 0 H ILE A 54 -11.597 -22.378 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.875 -20.009 -4.201 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.088 -22.769 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.055 -20.032 -1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.204 -21.309 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.831 -21.753 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.421 -21.735 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.459 -20.245 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.331 -21.346 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.334 -22.831 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.168 -21.534 -1.155 1.00 0.00 H new ATOM 879 N ASP A 55 -9.456 -20.912 -6.498 1.00 0.00 N ATOM 880 CA ASP A 55 -9.273 -21.452 -7.875 1.00 0.00 C ATOM 881 C ASP A 55 -7.833 -21.945 -8.044 1.00 0.00 C ATOM 882 O ASP A 55 -6.901 -21.350 -7.542 1.00 0.00 O ATOM 883 CB ASP A 55 -9.559 -20.351 -8.897 1.00 0.00 C ATOM 884 CG ASP A 55 -11.036 -19.960 -8.825 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.791 -20.687 -8.201 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.387 -18.940 -9.397 1.00 0.00 O ATOM 0 H ASP A 55 -9.261 -19.917 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.961 -22.282 -8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.932 -19.482 -8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.312 -20.698 -9.900 1.00 0.00 H new ATOM 891 N ILE A 56 -7.647 -23.027 -8.749 1.00 0.00 N ATOM 892 CA ILE A 56 -6.269 -23.557 -8.952 1.00 0.00 C ATOM 893 C ILE A 56 -5.946 -23.576 -10.447 1.00 0.00 C ATOM 894 O ILE A 56 -6.720 -24.053 -11.253 1.00 0.00 O ATOM 895 CB ILE A 56 -6.183 -24.980 -8.394 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.506 -24.963 -6.898 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.769 -25.526 -8.604 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.415 -26.385 -6.340 1.00 0.00 C ATOM 0 H ILE A 56 -8.390 -23.567 -9.193 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.554 -22.919 -8.433 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.899 -25.617 -8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.810 -24.309 -6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.506 -24.560 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.707 -26.539 -8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.539 -25.539 -9.669 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.052 -24.889 -8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.645 -26.373 -5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.129 -27.026 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.406 -26.771 -6.489 1.00 0.00 H new ATOM 910 N ILE A 57 -4.810 -23.057 -10.824 1.00 0.00 N ATOM 911 CA ILE A 57 -4.440 -23.044 -12.268 1.00 0.00 C ATOM 912 C ILE A 57 -3.294 -24.028 -12.512 1.00 0.00 C ATOM 913 O ILE A 57 -2.372 -24.128 -11.727 1.00 0.00 O ATOM 914 CB ILE A 57 -3.996 -21.636 -12.668 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.110 -20.637 -12.347 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.698 -21.602 -14.169 1.00 0.00 C ATOM 917 CD1 ILE A 57 -4.610 -19.214 -12.603 1.00 0.00 C ATOM 0 H ILE A 57 -4.122 -22.642 -10.195 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.303 -23.337 -12.866 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.097 -21.368 -12.112 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.986 -20.842 -12.963 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.420 -20.743 -11.307 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.382 -20.599 -14.454 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.904 -22.312 -14.398 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.596 -21.871 -14.725 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.404 -18.503 -12.374 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.747 -19.012 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.322 -19.112 -13.649 1.00 0.00 H new ATOM 929 N ASP A 58 -3.344 -24.755 -13.594 1.00 0.00 N ATOM 930 CA ASP A 58 -2.258 -25.731 -13.887 1.00 0.00 C ATOM 931 C ASP A 58 -1.960 -26.555 -12.633 1.00 0.00 C ATOM 932 O ASP A 58 -0.880 -26.496 -12.081 1.00 0.00 O ATOM 933 CB ASP A 58 -0.996 -24.978 -14.313 1.00 0.00 C ATOM 934 CG ASP A 58 -0.637 -25.357 -15.751 1.00 0.00 C ATOM 935 OD1 ASP A 58 -1.372 -24.971 -16.646 1.00 0.00 O ATOM 936 OD2 ASP A 58 0.365 -26.029 -15.933 1.00 0.00 O ATOM 0 H ASP A 58 -4.090 -24.715 -14.288 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.575 -26.395 -14.692 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.159 -23.903 -14.239 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.171 -25.222 -13.644 1.00 0.00 H new ATOM 941 N PRO A 59 -2.947 -27.341 -12.177 1.00 0.00 N ATOM 942 CA PRO A 59 -2.803 -28.187 -10.985 1.00 0.00 C ATOM 943 C PRO A 59 -1.837 -29.350 -11.228 1.00 0.00 C ATOM 944 O PRO A 59 -1.772 -29.900 -12.308 1.00 0.00 O ATOM 945 CB PRO A 59 -4.217 -28.721 -10.753 1.00 0.00 C ATOM 946 CG PRO A 59 -4.863 -28.665 -12.096 1.00 0.00 C ATOM 947 CD PRO A 59 -4.281 -27.466 -12.790 1.00 0.00 C ATOM 0 HA PRO A 59 -2.397 -27.635 -10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.198 -29.739 -10.364 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.757 -28.113 -10.027 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.666 -29.576 -12.661 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.945 -28.575 -12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.217 -27.615 -13.868 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.885 -26.573 -12.627 1.00 0.00 H new ATOM 955 N SER A 60 -1.085 -29.726 -10.229 1.00 0.00 N ATOM 956 CA SER A 60 -0.125 -30.852 -10.404 1.00 0.00 C ATOM 957 C SER A 60 -0.257 -31.823 -9.230 1.00 0.00 C ATOM 958 O SER A 60 -0.863 -31.515 -8.223 1.00 0.00 O ATOM 959 CB SER A 60 1.302 -30.300 -10.452 1.00 0.00 C ATOM 960 OG SER A 60 1.655 -30.019 -11.799 1.00 0.00 O ATOM 0 H SER A 60 -1.094 -29.303 -9.301 1.00 0.00 H new ATOM 0 HA SER A 60 -0.345 -31.376 -11.334 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.374 -29.395 -9.849 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.998 -31.023 -10.026 1.00 0.00 H new ATOM 0 HG SER A 60 2.568 -29.664 -11.831 1.00 0.00 H new ATOM 966 N PRO A 61 0.328 -33.022 -9.368 1.00 0.00 N ATOM 967 CA PRO A 61 0.282 -34.053 -8.322 1.00 0.00 C ATOM 968 C PRO A 61 1.077 -33.637 -7.082 1.00 0.00 C ATOM 969 O PRO A 61 0.807 -34.079 -5.982 1.00 0.00 O ATOM 970 CB PRO A 61 0.936 -35.266 -8.987 1.00 0.00 C ATOM 971 CG PRO A 61 1.809 -34.683 -10.046 1.00 0.00 C ATOM 972 CD PRO A 61 1.086 -33.467 -10.550 1.00 0.00 C ATOM 0 HA PRO A 61 -0.733 -34.241 -7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.515 -35.848 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.189 -35.937 -9.412 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.787 -34.418 -9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.978 -35.399 -10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.778 -32.701 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.428 -33.705 -11.386 1.00 0.00 H new ATOM 980 N LYS A 62 2.051 -32.786 -7.250 1.00 0.00 N ATOM 981 CA LYS A 62 2.856 -32.340 -6.079 1.00 0.00 C ATOM 982 C LYS A 62 1.950 -31.583 -5.106 1.00 0.00 C ATOM 983 O LYS A 62 2.207 -31.524 -3.920 1.00 0.00 O ATOM 984 CB LYS A 62 3.981 -31.419 -6.554 1.00 0.00 C ATOM 985 CG LYS A 62 4.947 -32.210 -7.439 1.00 0.00 C ATOM 986 CD LYS A 62 6.138 -31.326 -7.814 1.00 0.00 C ATOM 987 CE LYS A 62 7.036 -32.073 -8.803 1.00 0.00 C ATOM 988 NZ LYS A 62 6.767 -31.585 -10.184 1.00 0.00 N ATOM 0 H LYS A 62 2.324 -32.381 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 62 3.288 -33.207 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.567 -30.578 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.512 -31.004 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.293 -33.100 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.436 -32.550 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.787 -30.394 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.704 -31.061 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.084 -31.917 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.849 -33.145 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.377 -32.092 -10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.770 -31.756 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.966 -30.566 -10.237 1.00 0.00 H new ATOM 1002 N THR A 63 0.886 -31.007 -5.599 1.00 0.00 N ATOM 1003 CA THR A 63 -0.038 -30.260 -4.701 1.00 0.00 C ATOM 1004 C THR A 63 -0.726 -31.246 -3.755 1.00 0.00 C ATOM 1005 O THR A 63 -0.851 -31.001 -2.572 1.00 0.00 O ATOM 1006 CB THR A 63 -1.094 -29.536 -5.540 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.447 -28.717 -6.505 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.963 -28.667 -4.631 1.00 0.00 C ATOM 0 H THR A 63 0.618 -31.022 -6.583 1.00 0.00 H new ATOM 0 HA THR A 63 0.526 -29.529 -4.122 1.00 0.00 H new ATOM 0 HB THR A 63 -1.723 -30.269 -6.046 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.121 -28.253 -7.045 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.714 -28.152 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.457 -29.296 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.338 -27.932 -4.124 1.00 0.00 H new ATOM 1016 N ILE A 64 -1.169 -32.360 -4.268 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.842 -33.364 -3.399 1.00 0.00 C ATOM 1018 C ILE A 64 -0.852 -33.863 -2.345 1.00 0.00 C ATOM 1019 O ILE A 64 -1.182 -33.999 -1.184 1.00 0.00 O ATOM 1020 CB ILE A 64 -2.317 -34.542 -4.253 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -3.282 -34.038 -5.329 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -3.033 -35.561 -3.363 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.638 -35.188 -6.273 1.00 0.00 C ATOM 0 H ILE A 64 -1.094 -32.618 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.700 -32.906 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.458 -35.014 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.185 -33.641 -4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.825 -33.222 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.372 -36.400 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.346 -35.921 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.892 -35.088 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.325 -34.830 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.731 -35.565 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.112 -35.990 -5.707 1.00 0.00 H new ATOM 1035 N ASP A 65 0.362 -34.133 -2.742 1.00 0.00 N ATOM 1036 CA ASP A 65 1.375 -34.618 -1.763 1.00 0.00 C ATOM 1037 C ASP A 65 1.460 -33.635 -0.594 1.00 0.00 C ATOM 1038 O ASP A 65 1.517 -34.026 0.556 1.00 0.00 O ATOM 1039 CB ASP A 65 2.739 -34.717 -2.448 1.00 0.00 C ATOM 1040 CG ASP A 65 3.732 -35.407 -1.510 1.00 0.00 C ATOM 1041 OD1 ASP A 65 3.308 -35.859 -0.459 1.00 0.00 O ATOM 1042 OD2 ASP A 65 4.900 -35.470 -1.857 1.00 0.00 O ATOM 0 H ASP A 65 0.695 -34.039 -3.701 1.00 0.00 H new ATOM 0 HA ASP A 65 1.084 -35.601 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.651 -35.278 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.100 -33.722 -2.709 1.00 0.00 H new ATOM 1047 N ALA A 66 1.467 -32.362 -0.878 1.00 0.00 N ATOM 1048 CA ALA A 66 1.546 -31.355 0.217 1.00 0.00 C ATOM 1049 C ALA A 66 0.300 -31.461 1.097 1.00 0.00 C ATOM 1050 O ALA A 66 0.371 -31.363 2.307 1.00 0.00 O ATOM 1051 CB ALA A 66 1.628 -29.951 -0.386 1.00 0.00 C ATOM 0 H ALA A 66 1.421 -31.976 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 66 2.434 -31.543 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.686 -29.214 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.516 -29.876 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.740 -29.762 -0.990 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.843 -31.661 0.499 1.00 0.00 N ATOM 1058 CA LEU A 67 -2.093 -31.775 1.302 1.00 0.00 C ATOM 1059 C LEU A 67 -1.963 -32.939 2.285 1.00 0.00 C ATOM 1060 O LEU A 67 -2.367 -32.849 3.427 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.278 -32.026 0.368 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.571 -32.076 1.184 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.932 -30.665 1.654 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.703 -32.628 0.315 1.00 0.00 C ATOM 0 H LEU A 67 -0.965 -31.750 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.256 -30.850 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.338 -31.236 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.138 -32.964 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.429 -32.723 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.853 -30.700 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.127 -30.271 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.074 -30.018 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.624 -32.663 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.845 -31.981 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.447 -33.633 -0.021 1.00 0.00 H new ATOM 1076 N MET A 68 -1.400 -34.034 1.851 1.00 0.00 N ATOM 1077 CA MET A 68 -1.243 -35.203 2.760 1.00 0.00 C ATOM 1078 C MET A 68 -0.296 -34.834 3.904 1.00 0.00 C ATOM 1079 O MET A 68 -0.462 -35.271 5.026 1.00 0.00 O ATOM 1080 CB MET A 68 -0.662 -36.384 1.978 1.00 0.00 C ATOM 1081 CG MET A 68 -1.721 -36.929 1.017 1.00 0.00 C ATOM 1082 SD MET A 68 -1.101 -38.436 0.228 1.00 0.00 S ATOM 1083 CE MET A 68 0.253 -37.668 -0.696 1.00 0.00 C ATOM 0 H MET A 68 -1.042 -34.169 0.905 1.00 0.00 H new ATOM 0 HA MET A 68 -2.215 -35.480 3.167 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.220 -36.067 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.342 -37.167 2.665 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.643 -37.142 1.558 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.960 -36.182 0.261 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.749 -38.421 -1.308 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.145 -36.883 -1.339 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.971 -37.237 0.002 1.00 0.00 H new ATOM 1093 N ARG A 69 0.696 -34.032 3.628 1.00 0.00 N ATOM 1094 CA ARG A 69 1.653 -33.636 4.700 1.00 0.00 C ATOM 1095 C ARG A 69 0.953 -32.696 5.684 1.00 0.00 C ATOM 1096 O ARG A 69 1.304 -32.623 6.845 1.00 0.00 O ATOM 1097 CB ARG A 69 2.851 -32.917 4.074 1.00 0.00 C ATOM 1098 CG ARG A 69 3.611 -33.888 3.169 1.00 0.00 C ATOM 1099 CD ARG A 69 4.867 -33.204 2.627 1.00 0.00 C ATOM 1100 NE ARG A 69 5.501 -34.072 1.596 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.143 -35.149 1.955 1.00 0.00 C ATOM 1102 NH1 ARG A 69 7.361 -35.059 2.418 1.00 0.00 N ATOM 1103 NH2 ARG A 69 5.570 -36.317 1.851 1.00 0.00 N ATOM 0 H ARG A 69 0.885 -33.634 2.708 1.00 0.00 H new ATOM 0 HA ARG A 69 1.998 -34.526 5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.512 -32.056 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.511 -32.539 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.884 -34.784 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.974 -34.208 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.609 -32.237 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.569 -33.014 3.439 1.00 0.00 H new ATOM 0 HE ARG A 69 5.433 -33.824 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.810 -34.147 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.863 -35.901 2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.619 -36.388 1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.073 -37.159 2.132 1.00 0.00 H new ATOM 1117 N ILE A 70 -0.036 -31.977 5.228 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.758 -31.042 6.136 1.00 0.00 C ATOM 1119 C ILE A 70 -2.143 -31.608 6.454 1.00 0.00 C ATOM 1120 O ILE A 70 -2.864 -32.042 5.578 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.908 -29.682 5.454 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.472 -29.156 5.057 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.572 -28.697 6.418 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.312 -27.880 4.227 1.00 0.00 C ATOM 0 H ILE A 70 -0.375 -31.997 4.266 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.192 -30.924 7.060 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.526 -29.789 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.065 -28.951 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.010 -29.911 4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.679 -27.728 5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.556 -29.072 6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.955 -28.589 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.295 -27.505 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.265 -28.100 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.208 -27.125 4.817 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.522 -31.609 7.703 1.00 0.00 N ATOM 1137 CA ASN A 71 -3.860 -32.147 8.076 1.00 0.00 C ATOM 1138 C ASN A 71 -4.783 -30.993 8.471 1.00 0.00 C ATOM 1139 O ASN A 71 -4.504 -30.250 9.391 1.00 0.00 O ATOM 1140 CB ASN A 71 -3.712 -33.108 9.258 1.00 0.00 C ATOM 1141 CG ASN A 71 -5.025 -33.866 9.466 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -5.454 -34.609 8.605 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -5.686 -33.708 10.580 1.00 0.00 N ATOM 0 H ASN A 71 -1.962 -31.260 8.481 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.287 -32.679 7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.900 -33.810 9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.452 -32.554 10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.563 -34.208 10.728 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.326 -33.085 11.303 1.00 0.00 H new ATOM 1150 N LEU A 72 -5.879 -30.834 7.782 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.818 -29.727 8.119 1.00 0.00 C ATOM 1152 C LEU A 72 -7.360 -29.932 9.535 1.00 0.00 C ATOM 1153 O LEU A 72 -7.637 -31.039 9.949 1.00 0.00 O ATOM 1154 CB LEU A 72 -7.980 -29.723 7.124 1.00 0.00 C ATOM 1155 CG LEU A 72 -7.554 -28.997 5.846 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -6.918 -29.998 4.878 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -8.780 -28.361 5.188 1.00 0.00 C ATOM 0 H LEU A 72 -6.165 -31.423 7.000 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.291 -28.774 8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.278 -30.746 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.847 -29.230 7.563 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.830 -28.221 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.614 -29.481 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.044 -30.452 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.642 -30.775 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.477 -27.844 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.504 -29.137 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.234 -27.648 5.876 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.512 -28.833 10.290 1.00 0.00 N ATOM 1170 CA PRO A 73 -8.022 -28.881 11.665 1.00 0.00 C ATOM 1171 C PRO A 73 -9.510 -29.239 11.709 1.00 0.00 C ATOM 1172 O PRO A 73 -10.254 -28.958 10.790 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.813 -27.454 12.173 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.807 -26.614 10.941 1.00 0.00 C ATOM 1175 CD PRO A 73 -7.200 -27.460 9.857 1.00 0.00 C ATOM 0 HA PRO A 73 -7.517 -29.640 12.262 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.610 -27.154 12.853 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.875 -27.361 12.721 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.818 -26.307 10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.228 -25.703 11.094 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.633 -27.237 8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.125 -27.298 9.774 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.950 -29.859 12.771 1.00 0.00 N ATOM 1184 CA ALA A 74 -11.388 -30.235 12.873 1.00 0.00 C ATOM 1185 C ALA A 74 -12.253 -28.978 12.765 1.00 0.00 C ATOM 1186 O ALA A 74 -11.864 -27.907 13.186 1.00 0.00 O ATOM 1187 CB ALA A 74 -11.642 -30.916 14.219 1.00 0.00 C ATOM 0 H ALA A 74 -9.375 -30.121 13.572 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.643 -30.921 12.065 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.694 -31.191 14.295 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.026 -31.812 14.296 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.387 -30.231 15.027 1.00 0.00 H new ATOM 1193 N GLY A 75 -13.425 -29.100 12.204 1.00 0.00 N ATOM 1194 CA GLY A 75 -14.314 -27.912 12.071 1.00 0.00 C ATOM 1195 C GLY A 75 -14.195 -27.338 10.656 1.00 0.00 C ATOM 1196 O GLY A 75 -14.866 -26.388 10.304 1.00 0.00 O ATOM 0 H GLY A 75 -13.805 -29.971 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.347 -28.194 12.275 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.039 -27.155 12.806 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.349 -27.906 9.841 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.192 -27.389 8.452 1.00 0.00 C ATOM 1202 C VAL A 76 -13.403 -28.532 7.455 1.00 0.00 C ATOM 1203 O VAL A 76 -13.096 -29.674 7.732 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.786 -26.813 8.276 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -11.607 -26.333 6.835 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.596 -25.633 9.232 1.00 0.00 C ATOM 0 H VAL A 76 -12.760 -28.705 10.076 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.930 -26.607 8.271 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.048 -27.584 8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.605 -25.923 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.743 -27.172 6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.345 -25.562 6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.594 -25.222 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.335 -24.863 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.723 -25.973 10.260 1.00 0.00 H new ATOM 1216 N ASP A 77 -13.925 -28.232 6.298 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.154 -29.300 5.284 1.00 0.00 C ATOM 1218 C ASP A 77 -13.671 -28.817 3.916 1.00 0.00 C ATOM 1219 O ASP A 77 -13.607 -27.633 3.653 1.00 0.00 O ATOM 1220 CB ASP A 77 -15.648 -29.623 5.213 1.00 0.00 C ATOM 1221 CG ASP A 77 -15.873 -30.791 4.250 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -14.906 -31.462 3.930 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -17.007 -30.994 3.849 1.00 0.00 O ATOM 0 H ASP A 77 -14.203 -27.294 6.011 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.601 -30.196 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.023 -29.878 6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.204 -28.748 4.877 1.00 0.00 H new