USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 814 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 16 MET CE :methyl -167:sc= 0 (180deg=-0.192) USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -112:sc= 0.0881 (180deg=-0.417) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 45:sc= 0.395 USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0308 (180deg=-0.68) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc=-0.000776 X(o=-0.00078,f=-0.002) USER MOD Single : A 13 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.011) USER MOD Single : A 14 ASN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc=-0.00488 X(o=-0.0049,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.068 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= 0 (180deg=-1.28) USER MOD Single : A 27 ASN : amide:sc= -2.15 K(o=-2.1,f=-14!) USER MOD Single : A 31 ASN : amide:sc= -6.11! C(o=-6.1!,f=-17!) USER MOD Single : A 36 THR OG1 : rot -167:sc= -0.697 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.848 K(o=-0.85,f=-3!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.4 F(o=-3!,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.38) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc=-0.00664 X(o=-0.0066,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 36:sc= 1.26 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 171:sc= 0 (180deg=-0.0574) USER MOD Single : A 75 GLN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.679 X(o=-0.68,f=-1.2) USER MOD Single : A 81 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.065) USER MOD Single : A 83 ASN : amide:sc= -1.01 K(o=-1,f=-1.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0207 K(o=-0.021,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 23.093 -35.739 -42.849 1.00 0.00 N ATOM 2 CA ARG A 1 22.248 -34.591 -42.568 1.00 0.00 C ATOM 3 C ARG A 1 22.708 -33.896 -41.285 1.00 0.00 C ATOM 4 O ARG A 1 23.534 -34.430 -40.547 1.00 0.00 O ATOM 5 CB ARG A 1 20.784 -35.008 -42.416 1.00 0.00 C ATOM 6 CG ARG A 1 20.600 -35.938 -41.215 1.00 0.00 C ATOM 7 CD ARG A 1 19.814 -37.191 -41.606 1.00 0.00 C ATOM 8 NE ARG A 1 19.434 -37.949 -40.393 1.00 0.00 N ATOM 9 CZ ARG A 1 19.090 -39.255 -40.394 1.00 0.00 C ATOM 10 NH1 ARG A 1 19.074 -39.958 -41.546 1.00 0.00 N ATOM 11 NH2 ARG A 1 18.768 -39.832 -39.252 1.00 0.00 N ATOM 0 H1 ARG A 1 23.655 -35.555 -43.704 1.00 0.00 H new ATOM 0 H2 ARG A 1 23.731 -35.906 -42.045 1.00 0.00 H new ATOM 0 H3 ARG A 1 22.499 -36.579 -43.000 1.00 0.00 H new ATOM 0 HA ARG A 1 22.332 -33.903 -43.409 1.00 0.00 H new ATOM 0 HB2 ARG A 1 20.161 -34.122 -42.293 1.00 0.00 H new ATOM 0 HB3 ARG A 1 20.449 -35.510 -43.324 1.00 0.00 H new ATOM 0 HG2 ARG A 1 21.575 -36.225 -40.820 1.00 0.00 H new ATOM 0 HG3 ARG A 1 20.076 -35.410 -40.419 1.00 0.00 H new ATOM 0 HD2 ARG A 1 18.921 -36.911 -42.164 1.00 0.00 H new ATOM 0 HD3 ARG A 1 20.417 -37.818 -42.263 1.00 0.00 H new ATOM 0 HE ARG A 1 19.432 -37.454 -39.501 1.00 0.00 H new ATOM 0 HH11 ARG A 1 19.323 -39.503 -42.424 1.00 0.00 H new ATOM 0 HH12 ARG A 1 18.813 -40.944 -41.538 1.00 0.00 H new ATOM 0 HH21 ARG A 1 18.781 -39.293 -38.386 1.00 0.00 H new ATOM 0 HH22 ARG A 1 18.506 -40.818 -39.235 1.00 0.00 H new ATOM 24 N LYS A 2 22.154 -32.714 -41.059 1.00 0.00 N ATOM 25 CA LYS A 2 22.497 -31.939 -39.878 1.00 0.00 C ATOM 26 C LYS A 2 23.936 -31.436 -40.004 1.00 0.00 C ATOM 27 O LYS A 2 24.782 -32.104 -40.597 1.00 0.00 O ATOM 28 CB LYS A 2 22.239 -32.755 -38.610 1.00 0.00 C ATOM 29 CG LYS A 2 22.038 -31.839 -37.401 1.00 0.00 C ATOM 30 CD LYS A 2 22.135 -32.627 -36.093 1.00 0.00 C ATOM 31 CE LYS A 2 20.768 -33.179 -35.683 1.00 0.00 C ATOM 32 NZ LYS A 2 20.391 -32.683 -34.340 1.00 0.00 N ATOM 0 H LYS A 2 21.470 -32.274 -41.674 1.00 0.00 H new ATOM 0 HA LYS A 2 21.858 -31.060 -39.799 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.357 -33.380 -38.748 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.079 -33.425 -38.427 1.00 0.00 H new ATOM 0 HG2 LYS A 2 22.789 -31.049 -37.410 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.064 -31.354 -37.466 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.842 -33.448 -36.210 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.523 -31.983 -35.304 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.015 -32.880 -36.412 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.795 -34.269 -35.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.461 -33.067 -34.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.101 -32.989 -33.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.345 -31.644 -34.354 1.00 0.00 H new ATOM 45 N LEU A 3 24.170 -30.261 -39.438 1.00 0.00 N ATOM 46 CA LEU A 3 25.492 -29.660 -39.479 1.00 0.00 C ATOM 47 C LEU A 3 25.632 -28.665 -38.326 1.00 0.00 C ATOM 48 O LEU A 3 24.681 -28.437 -37.579 1.00 0.00 O ATOM 49 CB LEU A 3 25.759 -29.048 -40.856 1.00 0.00 C ATOM 50 CG LEU A 3 24.762 -27.986 -41.323 1.00 0.00 C ATOM 51 CD1 LEU A 3 25.462 -26.897 -42.137 1.00 0.00 C ATOM 52 CD2 LEU A 3 23.604 -28.624 -42.093 1.00 0.00 C ATOM 0 H LEU A 3 23.466 -29.709 -38.948 1.00 0.00 H new ATOM 0 HA LEU A 3 26.261 -30.420 -39.339 1.00 0.00 H new ATOM 0 HB2 LEU A 3 26.755 -28.604 -40.847 1.00 0.00 H new ATOM 0 HB3 LEU A 3 25.775 -29.852 -41.592 1.00 0.00 H new ATOM 0 HG LEU A 3 24.337 -27.505 -40.442 1.00 0.00 H new ATOM 0 HD11 LEU A 3 24.731 -26.155 -42.457 1.00 0.00 H new ATOM 0 HD12 LEU A 3 26.223 -26.416 -41.522 1.00 0.00 H new ATOM 0 HD13 LEU A 3 25.933 -27.343 -43.013 1.00 0.00 H new ATOM 0 HD21 LEU A 3 22.909 -27.848 -42.414 1.00 0.00 H new ATOM 0 HD22 LEU A 3 23.993 -29.147 -42.967 1.00 0.00 H new ATOM 0 HD23 LEU A 3 23.084 -29.332 -41.448 1.00 0.00 H new ATOM 64 N GLU A 4 26.825 -28.098 -38.216 1.00 0.00 N ATOM 65 CA GLU A 4 27.101 -27.133 -37.166 1.00 0.00 C ATOM 66 C GLU A 4 27.428 -25.767 -37.774 1.00 0.00 C ATOM 67 O GLU A 4 27.926 -25.686 -38.896 1.00 0.00 O ATOM 68 CB GLU A 4 28.236 -27.616 -36.262 1.00 0.00 C ATOM 69 CG GLU A 4 27.685 -28.267 -34.992 1.00 0.00 C ATOM 70 CD GLU A 4 28.709 -29.225 -34.379 1.00 0.00 C ATOM 71 OE1 GLU A 4 28.662 -30.436 -34.645 1.00 0.00 O ATOM 72 OE2 GLU A 4 29.576 -28.672 -33.600 1.00 0.00 O ATOM 0 H GLU A 4 27.611 -28.289 -38.837 1.00 0.00 H new ATOM 0 HA GLU A 4 26.208 -27.031 -36.549 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.857 -28.331 -36.802 1.00 0.00 H new ATOM 0 HB3 GLU A 4 28.877 -26.775 -35.996 1.00 0.00 H new ATOM 0 HG2 GLU A 4 27.424 -27.496 -34.267 1.00 0.00 H new ATOM 0 HG3 GLU A 4 26.768 -28.809 -35.225 1.00 0.00 H new ATOM 80 N LEU A 5 27.134 -24.728 -37.006 1.00 0.00 N ATOM 81 CA LEU A 5 27.391 -23.370 -37.455 1.00 0.00 C ATOM 82 C LEU A 5 27.020 -22.390 -36.340 1.00 0.00 C ATOM 83 O LEU A 5 26.072 -22.625 -35.592 1.00 0.00 O ATOM 84 CB LEU A 5 26.671 -23.097 -38.777 1.00 0.00 C ATOM 85 CG LEU A 5 27.550 -23.083 -40.029 1.00 0.00 C ATOM 86 CD1 LEU A 5 26.797 -23.650 -41.234 1.00 0.00 C ATOM 87 CD2 LEU A 5 28.094 -21.679 -40.302 1.00 0.00 C ATOM 0 H LEU A 5 26.721 -24.799 -36.076 1.00 0.00 H new ATOM 0 HA LEU A 5 28.452 -23.232 -37.662 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.897 -23.853 -38.909 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.166 -22.134 -38.701 1.00 0.00 H new ATOM 0 HG LEU A 5 28.408 -23.732 -39.851 1.00 0.00 H new ATOM 0 HD11 LEU A 5 27.444 -23.629 -42.111 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.501 -24.678 -41.027 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.909 -23.048 -41.424 1.00 0.00 H new ATOM 0 HD21 LEU A 5 28.715 -21.697 -41.197 1.00 0.00 H new ATOM 0 HD22 LEU A 5 27.263 -20.989 -40.451 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.692 -21.349 -39.452 1.00 0.00 H new ATOM 99 N THR A 6 27.787 -21.312 -36.263 1.00 0.00 N ATOM 100 CA THR A 6 27.550 -20.296 -35.252 1.00 0.00 C ATOM 101 C THR A 6 27.167 -20.947 -33.922 1.00 0.00 C ATOM 102 O THR A 6 25.985 -21.141 -33.639 1.00 0.00 O ATOM 103 CB THR A 6 26.488 -19.335 -35.787 1.00 0.00 C ATOM 104 OG1 THR A 6 25.417 -20.187 -36.184 1.00 0.00 O ATOM 105 CG2 THR A 6 26.919 -18.648 -37.085 1.00 0.00 C ATOM 0 H THR A 6 28.573 -21.120 -36.884 1.00 0.00 H new ATOM 0 HA THR A 6 28.454 -19.722 -35.048 1.00 0.00 H new ATOM 0 HB THR A 6 26.270 -18.579 -35.032 1.00 0.00 H new ATOM 0 HG1 THR A 6 25.263 -20.863 -35.491 1.00 0.00 H new ATOM 0 HG21 THR A 6 26.129 -17.977 -37.421 1.00 0.00 H new ATOM 0 HG22 THR A 6 27.830 -18.076 -36.909 1.00 0.00 H new ATOM 0 HG23 THR A 6 27.106 -19.401 -37.851 1.00 0.00 H new ATOM 113 N LYS A 7 28.187 -21.266 -33.140 1.00 0.00 N ATOM 114 CA LYS A 7 27.972 -21.891 -31.846 1.00 0.00 C ATOM 115 C LYS A 7 27.194 -20.931 -30.944 1.00 0.00 C ATOM 116 O LYS A 7 26.050 -21.201 -30.583 1.00 0.00 O ATOM 117 CB LYS A 7 29.301 -22.357 -31.247 1.00 0.00 C ATOM 118 CG LYS A 7 30.102 -23.175 -32.262 1.00 0.00 C ATOM 119 CD LYS A 7 31.461 -23.582 -31.688 1.00 0.00 C ATOM 120 CE LYS A 7 31.415 -25.004 -31.125 1.00 0.00 C ATOM 121 NZ LYS A 7 30.704 -25.024 -29.827 1.00 0.00 N ATOM 0 H LYS A 7 29.166 -21.103 -33.377 1.00 0.00 H new ATOM 0 HA LYS A 7 27.366 -22.790 -31.954 1.00 0.00 H new ATOM 0 HB2 LYS A 7 29.884 -21.493 -30.930 1.00 0.00 H new ATOM 0 HB3 LYS A 7 29.112 -22.958 -30.358 1.00 0.00 H new ATOM 0 HG2 LYS A 7 29.540 -24.066 -32.541 1.00 0.00 H new ATOM 0 HG3 LYS A 7 30.247 -22.592 -33.171 1.00 0.00 H new ATOM 0 HD2 LYS A 7 32.222 -23.520 -32.466 1.00 0.00 H new ATOM 0 HD3 LYS A 7 31.751 -22.885 -30.902 1.00 0.00 H new ATOM 0 HE2 LYS A 7 30.913 -25.665 -31.832 1.00 0.00 H new ATOM 0 HE3 LYS A 7 32.429 -25.384 -30.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 30.976 -25.876 -29.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 30.958 -24.178 -29.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 29.677 -25.033 -29.994 1.00 0.00 H new ATOM 134 N ALA A 8 27.847 -19.829 -30.605 1.00 0.00 N ATOM 135 CA ALA A 8 27.231 -18.827 -29.752 1.00 0.00 C ATOM 136 C ALA A 8 28.181 -17.636 -29.603 1.00 0.00 C ATOM 137 O ALA A 8 29.341 -17.806 -29.233 1.00 0.00 O ATOM 138 CB ALA A 8 26.869 -19.456 -28.405 1.00 0.00 C ATOM 0 H ALA A 8 28.796 -19.608 -30.906 1.00 0.00 H new ATOM 0 HA ALA A 8 26.308 -18.458 -30.198 1.00 0.00 H new ATOM 0 HB1 ALA A 8 26.407 -18.704 -27.765 1.00 0.00 H new ATOM 0 HB2 ALA A 8 26.170 -20.277 -28.563 1.00 0.00 H new ATOM 0 HB3 ALA A 8 27.772 -19.835 -27.926 1.00 0.00 H new ATOM 144 N GLU A 9 27.652 -16.458 -29.899 1.00 0.00 N ATOM 145 CA GLU A 9 28.439 -15.240 -29.803 1.00 0.00 C ATOM 146 C GLU A 9 27.588 -14.103 -29.232 1.00 0.00 C ATOM 147 O GLU A 9 27.975 -12.938 -29.303 1.00 0.00 O ATOM 148 CB GLU A 9 29.024 -14.857 -31.163 1.00 0.00 C ATOM 149 CG GLU A 9 27.918 -14.482 -32.151 1.00 0.00 C ATOM 150 CD GLU A 9 28.492 -13.753 -33.367 1.00 0.00 C ATOM 151 OE1 GLU A 9 29.331 -14.315 -34.087 1.00 0.00 O ATOM 152 OE2 GLU A 9 28.037 -12.561 -33.555 1.00 0.00 O ATOM 0 H GLU A 9 26.689 -16.321 -30.205 1.00 0.00 H new ATOM 0 HA GLU A 9 29.272 -15.421 -29.124 1.00 0.00 H new ATOM 0 HB2 GLU A 9 29.710 -14.018 -31.044 1.00 0.00 H new ATOM 0 HB3 GLU A 9 29.604 -15.690 -31.560 1.00 0.00 H new ATOM 0 HG2 GLU A 9 27.395 -15.382 -32.475 1.00 0.00 H new ATOM 0 HG3 GLU A 9 27.183 -13.847 -31.656 1.00 0.00 H new ATOM 160 N LYS A 10 26.446 -14.482 -28.678 1.00 0.00 N ATOM 161 CA LYS A 10 25.537 -13.509 -28.096 1.00 0.00 C ATOM 162 C LYS A 10 25.440 -13.747 -26.588 1.00 0.00 C ATOM 163 O LYS A 10 25.349 -12.798 -25.810 1.00 0.00 O ATOM 164 CB LYS A 10 24.186 -13.542 -28.812 1.00 0.00 C ATOM 165 CG LYS A 10 23.675 -14.977 -28.955 1.00 0.00 C ATOM 166 CD LYS A 10 22.148 -15.027 -28.879 1.00 0.00 C ATOM 167 CE LYS A 10 21.517 -14.392 -30.120 1.00 0.00 C ATOM 168 NZ LYS A 10 20.599 -13.298 -29.732 1.00 0.00 N ATOM 0 H LYS A 10 26.129 -15.450 -28.620 1.00 0.00 H new ATOM 0 HA LYS A 10 25.920 -12.498 -28.236 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.461 -12.948 -28.255 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.282 -13.087 -29.798 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.009 -15.392 -29.906 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.102 -15.599 -28.168 1.00 0.00 H new ATOM 0 HD2 LYS A 10 21.818 -16.062 -28.788 1.00 0.00 H new ATOM 0 HD3 LYS A 10 21.807 -14.504 -27.985 1.00 0.00 H new ATOM 0 HE2 LYS A 10 22.298 -14.005 -30.775 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.973 -15.148 -30.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 20.179 -12.878 -30.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.844 -13.677 -29.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 21.128 -12.569 -29.212 1.00 0.00 H new ATOM 181 N HIS A 11 25.463 -15.020 -26.219 1.00 0.00 N ATOM 182 CA HIS A 11 25.379 -15.395 -24.818 1.00 0.00 C ATOM 183 C HIS A 11 26.651 -14.955 -24.092 1.00 0.00 C ATOM 184 O HIS A 11 27.584 -14.450 -24.715 1.00 0.00 O ATOM 185 CB HIS A 11 25.101 -16.892 -24.672 1.00 0.00 C ATOM 186 CG HIS A 11 23.934 -17.215 -23.769 1.00 0.00 C ATOM 187 ND1 HIS A 11 24.069 -17.956 -22.608 1.00 0.00 N ATOM 188 CD2 HIS A 11 22.614 -16.890 -23.868 1.00 0.00 C ATOM 189 CE1 HIS A 11 22.875 -18.066 -22.042 1.00 0.00 C ATOM 190 NE2 HIS A 11 21.975 -17.405 -22.825 1.00 0.00 N ATOM 0 H HIS A 11 25.539 -15.804 -26.867 1.00 0.00 H new ATOM 0 HA HIS A 11 24.539 -14.881 -24.350 1.00 0.00 H new ATOM 0 HB2 HIS A 11 24.911 -17.314 -25.659 1.00 0.00 H new ATOM 0 HB3 HIS A 11 25.994 -17.381 -24.283 1.00 0.00 H new ATOM 0 HD2 HIS A 11 22.164 -16.311 -24.661 1.00 0.00 H new ATOM 0 HE1 HIS A 11 22.654 -18.587 -21.122 1.00 0.00 H new ATOM 0 HE2 HIS A 11 20.976 -17.320 -22.640 1.00 0.00 H new ATOM 198 N VAL A 12 26.649 -15.162 -22.783 1.00 0.00 N ATOM 199 CA VAL A 12 27.792 -14.793 -21.965 1.00 0.00 C ATOM 200 C VAL A 12 27.546 -15.239 -20.522 1.00 0.00 C ATOM 201 O VAL A 12 26.492 -14.959 -19.953 1.00 0.00 O ATOM 202 CB VAL A 12 28.062 -13.293 -22.090 1.00 0.00 C ATOM 203 CG1 VAL A 12 26.798 -12.482 -21.797 1.00 0.00 C ATOM 204 CG2 VAL A 12 29.212 -12.865 -21.175 1.00 0.00 C ATOM 0 H VAL A 12 25.874 -15.581 -22.269 1.00 0.00 H new ATOM 0 HA VAL A 12 28.691 -15.301 -22.313 1.00 0.00 H new ATOM 0 HB VAL A 12 28.359 -13.091 -23.119 1.00 0.00 H new ATOM 0 HG11 VAL A 12 27.018 -11.419 -21.893 1.00 0.00 H new ATOM 0 HG12 VAL A 12 26.017 -12.757 -22.506 1.00 0.00 H new ATOM 0 HG13 VAL A 12 26.458 -12.692 -20.783 1.00 0.00 H new ATOM 0 HG21 VAL A 12 29.384 -11.794 -21.283 1.00 0.00 H new ATOM 0 HG22 VAL A 12 28.956 -13.089 -20.139 1.00 0.00 H new ATOM 0 HG23 VAL A 12 30.117 -13.407 -21.450 1.00 0.00 H new ATOM 214 N HIS A 13 28.536 -15.925 -19.971 1.00 0.00 N ATOM 215 CA HIS A 13 28.440 -16.412 -18.606 1.00 0.00 C ATOM 216 C HIS A 13 29.829 -16.416 -17.964 1.00 0.00 C ATOM 217 O HIS A 13 30.325 -17.465 -17.555 1.00 0.00 O ATOM 218 CB HIS A 13 27.764 -17.784 -18.564 1.00 0.00 C ATOM 219 CG HIS A 13 26.315 -17.742 -18.141 1.00 0.00 C ATOM 220 ND1 HIS A 13 25.290 -18.239 -18.926 1.00 0.00 N ATOM 221 CD2 HIS A 13 25.731 -17.257 -17.007 1.00 0.00 C ATOM 222 CE1 HIS A 13 24.145 -18.056 -18.284 1.00 0.00 C ATOM 223 NE2 HIS A 13 24.421 -17.447 -17.096 1.00 0.00 N ATOM 0 H HIS A 13 29.409 -16.155 -20.445 1.00 0.00 H new ATOM 0 HA HIS A 13 27.809 -15.743 -18.021 1.00 0.00 H new ATOM 0 HB2 HIS A 13 27.830 -18.241 -19.551 1.00 0.00 H new ATOM 0 HB3 HIS A 13 28.314 -18.428 -17.877 1.00 0.00 H new ATOM 0 HD2 HIS A 13 26.248 -16.797 -16.178 1.00 0.00 H new ATOM 0 HE1 HIS A 13 23.165 -18.340 -18.640 1.00 0.00 H new ATOM 0 HE2 HIS A 13 23.733 -17.181 -16.391 1.00 0.00 H new ATOM 231 N ASN A 14 30.418 -15.232 -17.895 1.00 0.00 N ATOM 232 CA ASN A 14 31.739 -15.085 -17.310 1.00 0.00 C ATOM 233 C ASN A 14 32.205 -13.636 -17.468 1.00 0.00 C ATOM 234 O ASN A 14 33.373 -13.384 -17.760 1.00 0.00 O ATOM 235 CB ASN A 14 32.756 -15.988 -18.012 1.00 0.00 C ATOM 236 CG ASN A 14 33.790 -16.524 -17.021 1.00 0.00 C ATOM 237 OD1 ASN A 14 33.632 -17.579 -16.429 1.00 0.00 O ATOM 238 ND2 ASN A 14 34.855 -15.741 -16.873 1.00 0.00 N ATOM 0 H ASN A 14 30.004 -14.364 -18.235 1.00 0.00 H new ATOM 0 HA ASN A 14 31.674 -15.364 -16.258 1.00 0.00 H new ATOM 0 HB2 ASN A 14 32.239 -16.820 -18.490 1.00 0.00 H new ATOM 0 HB3 ASN A 14 33.259 -15.430 -18.802 1.00 0.00 H new ATOM 0 HD21 ASN A 14 35.602 -16.012 -16.233 1.00 0.00 H new ATOM 0 HD22 ASN A 14 34.925 -14.870 -17.399 1.00 0.00 H new ATOM 245 N PHE A 15 31.267 -12.722 -17.269 1.00 0.00 N ATOM 246 CA PHE A 15 31.567 -11.305 -17.386 1.00 0.00 C ATOM 247 C PHE A 15 32.468 -10.839 -16.241 1.00 0.00 C ATOM 248 O PHE A 15 32.732 -11.594 -15.307 1.00 0.00 O ATOM 249 CB PHE A 15 30.234 -10.558 -17.307 1.00 0.00 C ATOM 250 CG PHE A 15 29.551 -10.647 -15.941 1.00 0.00 C ATOM 251 CD1 PHE A 15 29.833 -9.729 -14.978 1.00 0.00 C ATOM 252 CD2 PHE A 15 28.662 -11.645 -15.689 1.00 0.00 C ATOM 253 CE1 PHE A 15 29.199 -9.812 -13.710 1.00 0.00 C ATOM 254 CE2 PHE A 15 28.028 -11.728 -14.421 1.00 0.00 C ATOM 255 CZ PHE A 15 28.310 -10.810 -13.459 1.00 0.00 C ATOM 0 H PHE A 15 30.299 -12.935 -17.028 1.00 0.00 H new ATOM 0 HA PHE A 15 32.087 -11.111 -18.324 1.00 0.00 H new ATOM 0 HB2 PHE A 15 30.402 -9.509 -17.550 1.00 0.00 H new ATOM 0 HB3 PHE A 15 29.560 -10.957 -18.065 1.00 0.00 H new ATOM 0 HD1 PHE A 15 30.539 -8.937 -15.178 1.00 0.00 H new ATOM 0 HD2 PHE A 15 28.438 -12.374 -16.453 1.00 0.00 H new ATOM 0 HE1 PHE A 15 29.423 -9.083 -12.945 1.00 0.00 H new ATOM 0 HE2 PHE A 15 27.322 -12.520 -14.221 1.00 0.00 H new ATOM 0 HZ PHE A 15 27.828 -10.873 -12.495 1.00 0.00 H new ATOM 265 N MET A 16 32.916 -9.597 -16.352 1.00 0.00 N ATOM 266 CA MET A 16 33.783 -9.021 -15.337 1.00 0.00 C ATOM 267 C MET A 16 33.055 -8.904 -13.996 1.00 0.00 C ATOM 268 O MET A 16 32.464 -7.869 -13.695 1.00 0.00 O ATOM 269 CB MET A 16 34.247 -7.635 -15.789 1.00 0.00 C ATOM 270 CG MET A 16 35.159 -7.734 -17.013 1.00 0.00 C ATOM 271 SD MET A 16 36.634 -6.763 -16.756 1.00 0.00 S ATOM 272 CE MET A 16 35.919 -5.131 -16.657 1.00 0.00 C ATOM 0 H MET A 16 32.695 -8.974 -17.129 1.00 0.00 H new ATOM 0 HA MET A 16 34.643 -9.677 -15.206 1.00 0.00 H new ATOM 0 HB2 MET A 16 33.381 -7.017 -16.026 1.00 0.00 H new ATOM 0 HB3 MET A 16 34.778 -7.142 -14.975 1.00 0.00 H new ATOM 0 HG2 MET A 16 35.426 -8.775 -17.194 1.00 0.00 H new ATOM 0 HG3 MET A 16 34.631 -7.381 -17.899 1.00 0.00 H new ATOM 0 HE1 MET A 16 36.708 -4.383 -16.729 1.00 0.00 H new ATOM 0 HE2 MET A 16 35.213 -4.993 -17.476 1.00 0.00 H new ATOM 0 HE3 MET A 16 35.399 -5.019 -15.706 1.00 0.00 H new ATOM 282 N MET A 17 33.122 -9.981 -13.227 1.00 0.00 N ATOM 283 CA MET A 17 32.477 -10.013 -11.926 1.00 0.00 C ATOM 284 C MET A 17 33.278 -9.212 -10.897 1.00 0.00 C ATOM 285 O MET A 17 32.702 -8.517 -10.062 1.00 0.00 O ATOM 286 CB MET A 17 32.346 -11.463 -11.455 1.00 0.00 C ATOM 287 CG MET A 17 31.174 -12.161 -12.147 1.00 0.00 C ATOM 288 SD MET A 17 30.261 -13.137 -10.964 1.00 0.00 S ATOM 289 CE MET A 17 31.190 -14.659 -11.035 1.00 0.00 C ATOM 0 H MET A 17 33.613 -10.838 -13.480 1.00 0.00 H new ATOM 0 HA MET A 17 31.489 -9.562 -12.021 1.00 0.00 H new ATOM 0 HB2 MET A 17 33.270 -12.002 -11.665 1.00 0.00 H new ATOM 0 HB3 MET A 17 32.201 -11.487 -10.375 1.00 0.00 H new ATOM 0 HG2 MET A 17 30.517 -11.421 -12.604 1.00 0.00 H new ATOM 0 HG3 MET A 17 31.543 -12.799 -12.950 1.00 0.00 H new ATOM 0 HE1 MET A 17 30.751 -15.385 -10.351 1.00 0.00 H new ATOM 0 HE2 MET A 17 31.163 -15.055 -12.050 1.00 0.00 H new ATOM 0 HE3 MET A 17 32.224 -14.468 -10.747 1.00 0.00 H new ATOM 299 N ASP A 18 34.593 -9.337 -10.992 1.00 0.00 N ATOM 300 CA ASP A 18 35.479 -8.633 -10.080 1.00 0.00 C ATOM 301 C ASP A 18 36.315 -7.622 -10.867 1.00 0.00 C ATOM 302 O ASP A 18 37.488 -7.865 -11.147 1.00 0.00 O ATOM 303 CB ASP A 18 36.439 -9.602 -9.387 1.00 0.00 C ATOM 304 CG ASP A 18 35.802 -10.905 -8.899 1.00 0.00 C ATOM 305 OD1 ASP A 18 35.574 -11.094 -7.695 1.00 0.00 O ATOM 306 OD2 ASP A 18 35.532 -11.761 -9.827 1.00 0.00 O ATOM 0 H ASP A 18 35.067 -9.915 -11.686 1.00 0.00 H new ATOM 0 HA ASP A 18 34.864 -8.135 -9.330 1.00 0.00 H new ATOM 0 HB2 ASP A 18 37.246 -9.846 -10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.891 -9.095 -8.535 1.00 0.00 H new ATOM 312 N THR A 19 35.679 -6.509 -11.201 1.00 0.00 N ATOM 313 CA THR A 19 36.349 -5.459 -11.950 1.00 0.00 C ATOM 314 C THR A 19 37.340 -4.714 -11.053 1.00 0.00 C ATOM 315 O THR A 19 38.421 -4.332 -11.499 1.00 0.00 O ATOM 316 CB THR A 19 35.277 -4.552 -12.556 1.00 0.00 C ATOM 317 OG1 THR A 19 36.017 -3.494 -13.159 1.00 0.00 O ATOM 318 CG2 THR A 19 34.429 -3.854 -11.491 1.00 0.00 C ATOM 0 H THR A 19 34.706 -6.311 -10.967 1.00 0.00 H new ATOM 0 HA THR A 19 36.943 -5.872 -12.765 1.00 0.00 H new ATOM 0 HB THR A 19 34.630 -5.141 -13.206 1.00 0.00 H new ATOM 0 HG1 THR A 19 35.399 -2.860 -13.578 1.00 0.00 H new ATOM 0 HG21 THR A 19 33.684 -3.223 -11.975 1.00 0.00 H new ATOM 0 HG22 THR A 19 33.927 -4.602 -10.877 1.00 0.00 H new ATOM 0 HG23 THR A 19 35.071 -3.239 -10.860 1.00 0.00 H new ATOM 326 N GLN A 20 36.935 -4.529 -9.805 1.00 0.00 N ATOM 327 CA GLN A 20 37.774 -3.836 -8.842 1.00 0.00 C ATOM 328 C GLN A 20 37.172 -3.943 -7.439 1.00 0.00 C ATOM 329 O GLN A 20 36.613 -2.976 -6.924 1.00 0.00 O ATOM 330 CB GLN A 20 37.974 -2.373 -9.242 1.00 0.00 C ATOM 331 CG GLN A 20 39.001 -1.692 -8.334 1.00 0.00 C ATOM 332 CD GLN A 20 39.977 -0.843 -9.151 1.00 0.00 C ATOM 333 OE1 GLN A 20 39.596 0.044 -9.896 1.00 0.00 O ATOM 334 NE2 GLN A 20 41.255 -1.164 -8.970 1.00 0.00 N ATOM 0 H GLN A 20 36.038 -4.847 -9.439 1.00 0.00 H new ATOM 0 HA GLN A 20 38.754 -4.314 -8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 20 38.306 -2.318 -10.279 1.00 0.00 H new ATOM 0 HB3 GLN A 20 37.023 -1.843 -9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 20 38.488 -1.064 -7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 20 39.552 -2.446 -7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 20 41.506 -1.918 -8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 20 41.984 -0.656 -9.470 1.00 0.00 H new ATOM 343 N LEU A 21 37.306 -5.128 -6.862 1.00 0.00 N ATOM 344 CA LEU A 21 36.781 -5.375 -5.529 1.00 0.00 C ATOM 345 C LEU A 21 37.626 -6.451 -4.845 1.00 0.00 C ATOM 346 O LEU A 21 37.357 -7.643 -4.992 1.00 0.00 O ATOM 347 CB LEU A 21 35.290 -5.711 -5.593 1.00 0.00 C ATOM 348 CG LEU A 21 34.930 -7.032 -6.277 1.00 0.00 C ATOM 349 CD1 LEU A 21 34.402 -8.048 -5.261 1.00 0.00 C ATOM 350 CD2 LEU A 21 33.944 -6.804 -7.425 1.00 0.00 C ATOM 0 H LEU A 21 37.770 -5.928 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 21 36.854 -4.475 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 21 34.898 -5.733 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 21 34.778 -4.903 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 21 35.838 -7.451 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.153 -8.978 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 21 35.166 -8.241 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.510 -7.650 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.705 -7.758 -7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.032 -6.352 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.393 -6.139 -8.163 1.00 0.00 H new ATOM 362 N THR A 22 38.630 -5.993 -4.111 1.00 0.00 N ATOM 363 CA THR A 22 39.515 -6.903 -3.403 1.00 0.00 C ATOM 364 C THR A 22 39.840 -6.356 -2.012 1.00 0.00 C ATOM 365 O THR A 22 39.600 -7.024 -1.007 1.00 0.00 O ATOM 366 CB THR A 22 40.754 -7.128 -4.272 1.00 0.00 C ATOM 367 OG1 THR A 22 41.224 -5.812 -4.554 1.00 0.00 O ATOM 368 CG2 THR A 22 40.408 -7.703 -5.647 1.00 0.00 C ATOM 0 H THR A 22 38.850 -5.004 -3.991 1.00 0.00 H new ATOM 0 HA THR A 22 39.038 -7.869 -3.235 1.00 0.00 H new ATOM 0 HB THR A 22 41.440 -7.802 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 22 42.028 -5.864 -5.112 1.00 0.00 H new ATOM 0 HG21 THR A 22 41.322 -7.843 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 22 39.906 -8.662 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 22 39.749 -7.013 -6.174 1.00 0.00 H new ATOM 376 N LYS A 23 40.380 -5.146 -1.998 1.00 0.00 N ATOM 377 CA LYS A 23 40.740 -4.502 -0.746 1.00 0.00 C ATOM 378 C LYS A 23 39.468 -4.176 0.039 1.00 0.00 C ATOM 379 O LYS A 23 38.365 -4.506 -0.394 1.00 0.00 O ATOM 380 CB LYS A 23 41.630 -3.285 -1.006 1.00 0.00 C ATOM 381 CG LYS A 23 40.793 -2.011 -1.139 1.00 0.00 C ATOM 382 CD LYS A 23 41.397 -1.064 -2.178 1.00 0.00 C ATOM 383 CE LYS A 23 41.130 0.397 -1.809 1.00 0.00 C ATOM 384 NZ LYS A 23 41.079 1.238 -3.026 1.00 0.00 N ATOM 0 H LYS A 23 40.577 -4.595 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 23 41.333 -5.176 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 23 42.344 -3.172 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.208 -3.441 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 23 39.774 -2.270 -1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.734 -1.508 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.471 -1.234 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 23 40.974 -1.278 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 23 40.188 0.475 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 23 41.913 0.759 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 40.897 2.226 -2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 41.988 1.177 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 40.316 0.902 -3.648 1.00 0.00 H new ATOM 397 N ARG A 24 39.664 -3.532 1.181 1.00 0.00 N ATOM 398 CA ARG A 24 38.546 -3.158 2.030 1.00 0.00 C ATOM 399 C ARG A 24 38.712 -1.720 2.523 1.00 0.00 C ATOM 400 O ARG A 24 39.563 -0.984 2.026 1.00 0.00 O ATOM 401 CB ARG A 24 38.434 -4.094 3.236 1.00 0.00 C ATOM 402 CG ARG A 24 39.719 -4.075 4.066 1.00 0.00 C ATOM 403 CD ARG A 24 40.280 -5.487 4.240 1.00 0.00 C ATOM 404 NE ARG A 24 41.589 -5.431 4.928 1.00 0.00 N ATOM 405 CZ ARG A 24 42.149 -6.474 5.578 1.00 0.00 C ATOM 406 NH1 ARG A 24 41.517 -7.665 5.633 1.00 0.00 N ATOM 407 NH2 ARG A 24 43.323 -6.311 6.158 1.00 0.00 N ATOM 0 H ARG A 24 40.580 -3.260 1.538 1.00 0.00 H new ATOM 0 HA ARG A 24 37.636 -3.239 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 24 37.591 -3.793 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 24 38.232 -5.109 2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 24 40.461 -3.442 3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 24 39.518 -3.637 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 24 39.583 -6.096 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 24 40.392 -5.965 3.267 1.00 0.00 H new ATOM 0 HE ARG A 24 42.101 -4.549 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 24 40.610 -7.782 5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 24 41.946 -8.448 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 24 43.794 -5.407 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 24 43.760 -7.089 6.653 1.00 0.00 H new ATOM 420 N VAL A 25 37.886 -1.362 3.495 1.00 0.00 N ATOM 421 CA VAL A 25 37.931 -0.024 4.061 1.00 0.00 C ATOM 422 C VAL A 25 39.110 0.075 5.031 1.00 0.00 C ATOM 423 O VAL A 25 39.264 1.079 5.725 1.00 0.00 O ATOM 424 CB VAL A 25 36.589 0.313 4.715 1.00 0.00 C ATOM 425 CG1 VAL A 25 36.601 -0.038 6.204 1.00 0.00 C ATOM 426 CG2 VAL A 25 36.229 1.784 4.500 1.00 0.00 C ATOM 0 H VAL A 25 37.182 -1.975 3.905 1.00 0.00 H new ATOM 0 HA VAL A 25 38.091 0.717 3.278 1.00 0.00 H new ATOM 0 HB VAL A 25 35.820 -0.293 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 25 35.636 0.211 6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 25 36.790 -1.105 6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 25 37.386 0.529 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 25 35.271 1.997 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 25 37.001 2.416 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 25 36.158 1.989 3.432 1.00 0.00 H new ATOM 436 N LYS A 26 39.912 -0.979 5.047 1.00 0.00 N ATOM 437 CA LYS A 26 41.072 -1.023 5.920 1.00 0.00 C ATOM 438 C LYS A 26 42.320 -1.326 5.088 1.00 0.00 C ATOM 439 O LYS A 26 43.266 -1.938 5.582 1.00 0.00 O ATOM 440 CB LYS A 26 40.843 -2.009 7.067 1.00 0.00 C ATOM 441 CG LYS A 26 40.505 -1.272 8.365 1.00 0.00 C ATOM 442 CD LYS A 26 39.499 -0.148 8.111 1.00 0.00 C ATOM 443 CE LYS A 26 38.718 0.186 9.383 1.00 0.00 C ATOM 444 NZ LYS A 26 37.376 -0.437 9.347 1.00 0.00 N ATOM 0 H LYS A 26 39.781 -1.809 4.469 1.00 0.00 H new ATOM 0 HA LYS A 26 41.231 -0.053 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.032 -2.690 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 26 41.736 -2.617 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 26 40.095 -1.975 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 26 41.415 -0.859 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 26 40.022 0.740 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 26 38.807 -0.445 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 26 39.266 -0.167 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 26 38.621 1.267 9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 37.060 -0.637 10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 36.704 0.212 8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 37.420 -1.325 8.807 1.00 0.00 H new ATOM 457 N ASN A 27 42.282 -0.884 3.840 1.00 0.00 N ATOM 458 CA ASN A 27 43.398 -1.101 2.935 1.00 0.00 C ATOM 459 C ASN A 27 43.647 0.173 2.126 1.00 0.00 C ATOM 460 O ASN A 27 43.327 0.233 0.940 1.00 0.00 O ATOM 461 CB ASN A 27 43.097 -2.234 1.952 1.00 0.00 C ATOM 462 CG ASN A 27 43.155 -3.595 2.648 1.00 0.00 C ATOM 463 OD1 ASN A 27 43.044 -3.707 3.858 1.00 0.00 O ATOM 464 ND2 ASN A 27 43.335 -4.620 1.820 1.00 0.00 N ATOM 0 H ASN A 27 41.496 -0.376 3.434 1.00 0.00 H new ATOM 0 HA ASN A 27 44.271 -1.364 3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 27 42.110 -2.087 1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 27 43.816 -2.210 1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 27 43.388 -5.570 2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 27 43.420 -4.456 0.817 1.00 0.00 H new ATOM 471 N ALA A 28 44.218 1.161 2.800 1.00 0.00 N ATOM 472 CA ALA A 28 44.515 2.431 2.158 1.00 0.00 C ATOM 473 C ALA A 28 43.283 3.336 2.234 1.00 0.00 C ATOM 474 O ALA A 28 43.359 4.522 1.918 1.00 0.00 O ATOM 475 CB ALA A 28 44.968 2.182 0.718 1.00 0.00 C ATOM 0 H ALA A 28 44.483 1.108 3.784 1.00 0.00 H new ATOM 0 HA ALA A 28 45.330 2.940 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.191 3.134 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.862 1.559 0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.174 1.675 0.169 1.00 0.00 H new ATOM 481 N ALA A 29 42.176 2.741 2.654 1.00 0.00 N ATOM 482 CA ALA A 29 40.930 3.478 2.775 1.00 0.00 C ATOM 483 C ALA A 29 40.844 4.101 4.170 1.00 0.00 C ATOM 484 O ALA A 29 40.600 5.299 4.304 1.00 0.00 O ATOM 485 CB ALA A 29 39.754 2.545 2.480 1.00 0.00 C ATOM 0 H ALA A 29 42.116 1.757 2.915 1.00 0.00 H new ATOM 0 HA ALA A 29 40.892 4.290 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 29 38.819 3.098 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 29 39.846 2.152 1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 29 39.758 1.719 3.191 1.00 0.00 H new ATOM 491 N ALA A 30 41.050 3.260 5.172 1.00 0.00 N ATOM 492 CA ALA A 30 41.000 3.713 6.552 1.00 0.00 C ATOM 493 C ALA A 30 39.638 4.356 6.823 1.00 0.00 C ATOM 494 O ALA A 30 39.479 5.094 7.794 1.00 0.00 O ATOM 495 CB ALA A 30 42.161 4.672 6.817 1.00 0.00 C ATOM 0 H ALA A 30 41.252 2.267 5.056 1.00 0.00 H new ATOM 0 HA ALA A 30 41.110 2.872 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.123 5.012 7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 30 43.105 4.158 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.083 5.531 6.150 1.00 0.00 H new ATOM 501 N ASN A 31 38.691 4.053 5.947 1.00 0.00 N ATOM 502 CA ASN A 31 37.349 4.593 6.079 1.00 0.00 C ATOM 503 C ASN A 31 37.299 5.985 5.447 1.00 0.00 C ATOM 504 O ASN A 31 36.331 6.721 5.633 1.00 0.00 O ATOM 505 CB ASN A 31 36.952 4.727 7.551 1.00 0.00 C ATOM 506 CG ASN A 31 37.457 3.535 8.366 1.00 0.00 C ATOM 507 OD1 ASN A 31 37.904 2.531 7.835 1.00 0.00 O ATOM 508 ND2 ASN A 31 37.361 3.700 9.682 1.00 0.00 N ATOM 0 H ASN A 31 38.827 3.440 5.143 1.00 0.00 H new ATOM 0 HA ASN A 31 36.660 3.911 5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.362 5.651 7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.867 4.795 7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.671 2.961 10.313 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.977 4.566 10.061 1.00 0.00 H new ATOM 515 N VAL A 32 38.354 6.305 4.713 1.00 0.00 N ATOM 516 CA VAL A 32 38.443 7.596 4.052 1.00 0.00 C ATOM 517 C VAL A 32 38.230 8.707 5.083 1.00 0.00 C ATOM 518 O VAL A 32 37.925 9.843 4.722 1.00 0.00 O ATOM 519 CB VAL A 32 37.448 7.659 2.892 1.00 0.00 C ATOM 520 CG1 VAL A 32 37.003 6.256 2.474 1.00 0.00 C ATOM 521 CG2 VAL A 32 36.244 8.533 3.248 1.00 0.00 C ATOM 0 H VAL A 32 39.155 5.692 4.561 1.00 0.00 H new ATOM 0 HA VAL A 32 39.434 7.737 3.621 1.00 0.00 H new ATOM 0 HB VAL A 32 37.954 8.117 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.296 6.330 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 32 37.871 5.678 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.524 5.760 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.553 8.560 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.738 8.118 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 32 36.582 9.544 3.473 1.00 0.00 H new ATOM 531 N LEU A 33 38.401 8.341 6.345 1.00 0.00 N ATOM 532 CA LEU A 33 38.231 9.292 7.430 1.00 0.00 C ATOM 533 C LEU A 33 36.749 9.643 7.568 1.00 0.00 C ATOM 534 O LEU A 33 36.156 9.445 8.627 1.00 0.00 O ATOM 535 CB LEU A 33 39.135 10.509 7.221 1.00 0.00 C ATOM 536 CG LEU A 33 39.706 11.146 8.489 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.799 12.161 8.149 1.00 0.00 C ATOM 538 CD2 LEU A 33 38.594 11.765 9.340 1.00 0.00 C ATOM 0 H LEU A 33 38.656 7.398 6.640 1.00 0.00 H new ATOM 0 HA LEU A 33 38.543 8.850 8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.966 10.214 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.570 11.268 6.680 1.00 0.00 H new ATOM 0 HG LEU A 33 40.170 10.361 9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.188 12.599 9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.607 11.661 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 40.382 12.948 7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 33 39.027 12.211 10.235 1.00 0.00 H new ATOM 0 HD22 LEU A 33 38.080 12.534 8.764 1.00 0.00 H new ATOM 0 HD23 LEU A 33 37.882 10.991 9.628 1.00 0.00 H new ATOM 550 N ARG A 34 36.192 10.158 6.481 1.00 0.00 N ATOM 551 CA ARG A 34 34.790 10.539 6.468 1.00 0.00 C ATOM 552 C ARG A 34 33.920 9.377 6.952 1.00 0.00 C ATOM 553 O ARG A 34 32.923 9.588 7.641 1.00 0.00 O ATOM 554 CB ARG A 34 34.344 10.950 5.063 1.00 0.00 C ATOM 555 CG ARG A 34 33.579 12.275 5.097 1.00 0.00 C ATOM 556 CD ARG A 34 32.230 12.147 4.386 1.00 0.00 C ATOM 557 NE ARG A 34 32.426 12.179 2.919 1.00 0.00 N ATOM 558 CZ ARG A 34 32.487 13.312 2.188 1.00 0.00 C ATOM 559 NH1 ARG A 34 32.368 14.518 2.783 1.00 0.00 N ATOM 560 NH2 ARG A 34 32.665 13.223 0.883 1.00 0.00 N ATOM 0 H ARG A 34 36.686 10.320 5.604 1.00 0.00 H new ATOM 0 HA ARG A 34 34.671 11.390 7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 34 35.215 11.045 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.712 10.172 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 34 33.422 12.582 6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 34 34.173 13.055 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 34 31.744 11.216 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 34 31.570 12.959 4.691 1.00 0.00 H new ATOM 0 HE ARG A 34 32.521 11.289 2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 34 32.231 14.578 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 34 32.415 15.370 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 34 32.754 12.308 0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 34 32.713 14.069 0.316 1.00 0.00 H new ATOM 573 N GLU A 35 34.328 8.175 6.571 1.00 0.00 N ATOM 574 CA GLU A 35 33.599 6.980 6.957 1.00 0.00 C ATOM 575 C GLU A 35 32.096 7.188 6.759 1.00 0.00 C ATOM 576 O GLU A 35 31.327 7.140 7.718 1.00 0.00 O ATOM 577 CB GLU A 35 33.912 6.589 8.403 1.00 0.00 C ATOM 578 CG GLU A 35 33.589 7.736 9.363 1.00 0.00 C ATOM 579 CD GLU A 35 33.744 7.292 10.819 1.00 0.00 C ATOM 580 OE1 GLU A 35 34.641 6.495 11.132 1.00 0.00 O ATOM 581 OE2 GLU A 35 32.892 7.807 11.640 1.00 0.00 O ATOM 0 H GLU A 35 35.155 8.004 5.999 1.00 0.00 H new ATOM 0 HA GLU A 35 33.921 6.159 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.335 5.706 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 35 34.965 6.321 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 35 34.251 8.579 9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.570 8.083 9.191 1.00 0.00 H new ATOM 589 N THR A 36 31.722 7.414 5.508 1.00 0.00 N ATOM 590 CA THR A 36 30.325 7.630 5.172 1.00 0.00 C ATOM 591 C THR A 36 29.751 6.401 4.465 1.00 0.00 C ATOM 592 O THR A 36 28.553 6.339 4.193 1.00 0.00 O ATOM 593 CB THR A 36 30.231 8.910 4.339 1.00 0.00 C ATOM 594 OG1 THR A 36 29.957 9.928 5.297 1.00 0.00 O ATOM 595 CG2 THR A 36 29.007 8.923 3.421 1.00 0.00 C ATOM 0 H THR A 36 32.362 7.452 4.715 1.00 0.00 H new ATOM 0 HA THR A 36 29.719 7.764 6.068 1.00 0.00 H new ATOM 0 HB THR A 36 31.135 9.020 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 36 29.678 10.746 4.835 1.00 0.00 H new ATOM 0 HG21 THR A 36 28.988 9.853 2.853 1.00 0.00 H new ATOM 0 HG22 THR A 36 29.059 8.079 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 36 28.101 8.847 4.022 1.00 0.00 H new ATOM 603 N TRP A 37 30.633 5.452 4.186 1.00 0.00 N ATOM 604 CA TRP A 37 30.229 4.229 3.515 1.00 0.00 C ATOM 605 C TRP A 37 29.909 3.185 4.587 1.00 0.00 C ATOM 606 O TRP A 37 29.130 2.264 4.349 1.00 0.00 O ATOM 607 CB TRP A 37 31.303 3.763 2.530 1.00 0.00 C ATOM 608 CG TRP A 37 32.163 4.896 1.965 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.444 5.176 2.242 1.00 0.00 C ATOM 610 CD2 TRP A 37 31.749 5.896 1.010 1.00 0.00 C ATOM 611 NE1 TRP A 37 33.884 6.278 1.538 1.00 0.00 N ATOM 612 CE2 TRP A 37 32.821 6.730 0.765 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.510 6.089 0.375 1.00 0.00 C ATOM 614 CZ2 TRP A 37 32.762 7.814 -0.118 1.00 0.00 C ATOM 615 CZ3 TRP A 37 30.467 7.176 -0.505 1.00 0.00 C ATOM 616 CH2 TRP A 37 31.537 8.026 -0.763 1.00 0.00 C ATOM 0 H TRP A 37 31.626 5.506 4.413 1.00 0.00 H new ATOM 0 HA TRP A 37 29.335 4.397 2.914 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.951 3.043 3.029 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.821 3.240 1.704 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.055 4.610 2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 37 34.818 6.686 1.578 1.00 0.00 H new ATOM 0 HE3 TRP A 37 29.658 5.449 0.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.615 8.453 -0.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 29.537 7.368 -1.020 1.00 0.00 H new ATOM 0 HH2 TRP A 37 31.424 8.846 -1.457 1.00 0.00 H new ATOM 627 N LEU A 38 30.527 3.365 5.745 1.00 0.00 N ATOM 628 CA LEU A 38 30.318 2.450 6.855 1.00 0.00 C ATOM 629 C LEU A 38 29.014 2.812 7.569 1.00 0.00 C ATOM 630 O LEU A 38 28.271 1.930 7.997 1.00 0.00 O ATOM 631 CB LEU A 38 31.540 2.436 7.775 1.00 0.00 C ATOM 632 CG LEU A 38 32.903 2.472 7.081 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.804 1.938 5.651 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.504 3.878 7.128 1.00 0.00 C ATOM 0 H LEU A 38 31.172 4.131 5.939 1.00 0.00 H new ATOM 0 HA LEU A 38 30.210 1.428 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.474 3.292 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.493 1.540 8.394 1.00 0.00 H new ATOM 0 HG LEU A 38 33.581 1.814 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.786 1.975 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.449 0.908 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.106 2.551 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.473 3.877 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.836 4.576 6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.632 4.184 8.166 1.00 0.00 H new ATOM 646 N ILE A 39 28.776 4.111 7.675 1.00 0.00 N ATOM 647 CA ILE A 39 27.574 4.600 8.330 1.00 0.00 C ATOM 648 C ILE A 39 26.396 4.511 7.358 1.00 0.00 C ATOM 649 O ILE A 39 25.278 4.194 7.760 1.00 0.00 O ATOM 650 CB ILE A 39 27.804 6.005 8.890 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.259 6.966 7.791 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.784 5.973 10.065 1.00 0.00 C ATOM 653 CD1 ILE A 39 27.200 8.038 7.527 1.00 0.00 C ATOM 0 H ILE A 39 29.394 4.840 7.319 1.00 0.00 H new ATOM 0 HA ILE A 39 27.327 3.975 9.188 1.00 0.00 H new ATOM 0 HB ILE A 39 26.854 6.380 9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.196 7.440 8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.455 6.409 6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.930 6.984 10.445 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.381 5.343 10.858 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.740 5.569 9.731 1.00 0.00 H new ATOM 0 HD11 ILE A 39 27.549 8.708 6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 39 26.271 7.562 7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 39 27.025 8.608 8.439 1.00 0.00 H new ATOM 665 N TYR A 40 26.688 4.796 6.097 1.00 0.00 N ATOM 666 CA TYR A 40 25.666 4.752 5.065 1.00 0.00 C ATOM 667 C TYR A 40 24.492 5.668 5.416 1.00 0.00 C ATOM 668 O TYR A 40 23.745 5.393 6.354 1.00 0.00 O ATOM 669 CB TYR A 40 25.174 3.304 5.021 1.00 0.00 C ATOM 670 CG TYR A 40 25.765 2.480 3.876 1.00 0.00 C ATOM 671 CD1 TYR A 40 25.793 2.996 2.596 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.272 1.220 4.123 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.351 2.220 1.519 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.829 0.444 3.045 1.00 0.00 C ATOM 675 CZ TYR A 40 26.841 0.982 1.796 1.00 0.00 C ATOM 676 OH TYR A 40 27.367 0.249 0.778 1.00 0.00 O ATOM 0 H TYR A 40 27.617 5.058 5.767 1.00 0.00 H new ATOM 0 HA TYR A 40 26.071 5.085 4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.417 2.820 5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 40 24.088 3.303 4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 40 25.396 3.982 2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 40 26.251 0.816 5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 40 26.380 2.613 0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 40 27.228 -0.543 3.225 1.00 0.00 H new ATOM 0 HH TYR A 40 27.679 -0.613 1.123 1.00 0.00 H new ATOM 686 N LYS A 41 24.365 6.737 4.643 1.00 0.00 N ATOM 687 CA LYS A 41 23.294 7.694 4.861 1.00 0.00 C ATOM 688 C LYS A 41 23.556 8.459 6.160 1.00 0.00 C ATOM 689 O LYS A 41 24.081 7.897 7.120 1.00 0.00 O ATOM 690 CB LYS A 41 21.934 6.995 4.822 1.00 0.00 C ATOM 691 CG LYS A 41 21.247 7.208 3.472 1.00 0.00 C ATOM 692 CD LYS A 41 21.584 6.076 2.500 1.00 0.00 C ATOM 693 CE LYS A 41 20.388 5.747 1.605 1.00 0.00 C ATOM 694 NZ LYS A 41 20.400 6.594 0.391 1.00 0.00 N ATOM 0 H LYS A 41 24.986 6.961 3.865 1.00 0.00 H new ATOM 0 HA LYS A 41 23.271 8.429 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 22.064 5.928 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.300 7.379 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.168 7.261 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 41 21.560 8.162 3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 41 22.436 6.363 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.880 5.188 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.417 4.695 1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.460 5.904 2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.581 6.358 -0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.350 7.596 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.277 6.425 -0.142 1.00 0.00 H new ATOM 707 N ASN A 42 23.178 9.729 6.149 1.00 0.00 N ATOM 708 CA ASN A 42 23.365 10.576 7.314 1.00 0.00 C ATOM 709 C ASN A 42 22.375 11.741 7.257 1.00 0.00 C ATOM 710 O ASN A 42 21.692 12.029 8.238 1.00 0.00 O ATOM 711 CB ASN A 42 24.779 11.158 7.351 1.00 0.00 C ATOM 712 CG ASN A 42 25.484 10.804 8.661 1.00 0.00 C ATOM 713 OD1 ASN A 42 25.146 9.848 9.339 1.00 0.00 O ATOM 714 ND2 ASN A 42 26.480 11.627 8.979 1.00 0.00 N ATOM 0 H ASN A 42 22.743 10.192 5.351 1.00 0.00 H new ATOM 0 HA ASN A 42 23.203 9.967 8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 42 25.356 10.775 6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 42 24.733 12.241 7.240 1.00 0.00 H new ATOM 0 HD21 ASN A 42 27.013 11.476 9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 42 26.711 12.409 8.366 1.00 0.00 H new ATOM 721 N THR A 43 22.328 12.379 6.096 1.00 0.00 N ATOM 722 CA THR A 43 21.433 13.506 5.898 1.00 0.00 C ATOM 723 C THR A 43 20.090 13.249 6.585 1.00 0.00 C ATOM 724 O THR A 43 19.587 14.104 7.311 1.00 0.00 O ATOM 725 CB THR A 43 21.308 13.751 4.393 1.00 0.00 C ATOM 726 OG1 THR A 43 20.761 12.536 3.888 1.00 0.00 O ATOM 727 CG2 THR A 43 22.669 13.863 3.703 1.00 0.00 C ATOM 0 H THR A 43 22.895 12.137 5.284 1.00 0.00 H new ATOM 0 HA THR A 43 21.829 14.411 6.358 1.00 0.00 H new ATOM 0 HB THR A 43 20.738 14.664 4.220 1.00 0.00 H new ATOM 0 HG1 THR A 43 20.645 12.608 2.918 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.523 14.037 2.637 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.228 14.694 4.133 1.00 0.00 H new ATOM 0 HG23 THR A 43 23.227 12.938 3.847 1.00 0.00 H new ATOM 735 N LYS A 44 19.549 12.066 6.332 1.00 0.00 N ATOM 736 CA LYS A 44 18.275 11.685 6.917 1.00 0.00 C ATOM 737 C LYS A 44 18.228 12.152 8.373 1.00 0.00 C ATOM 738 O LYS A 44 18.813 11.520 9.251 1.00 0.00 O ATOM 739 CB LYS A 44 18.034 10.184 6.744 1.00 0.00 C ATOM 740 CG LYS A 44 18.988 9.371 7.621 1.00 0.00 C ATOM 741 CD LYS A 44 19.092 7.927 7.125 1.00 0.00 C ATOM 742 CE LYS A 44 17.926 7.084 7.645 1.00 0.00 C ATOM 743 NZ LYS A 44 18.383 6.174 8.719 1.00 0.00 N ATOM 0 H LYS A 44 19.970 11.359 5.730 1.00 0.00 H new ATOM 0 HA LYS A 44 17.454 12.178 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.003 9.945 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.171 9.908 5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 44 19.975 9.833 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 44 18.637 9.381 8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.098 7.913 6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 44 20.035 7.492 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.138 7.736 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.496 6.505 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.579 5.609 9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.119 5.540 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.773 6.733 9.505 1.00 0.00 H new ATOM 756 N LEU A 45 17.525 13.255 8.585 1.00 0.00 N ATOM 757 CA LEU A 45 17.394 13.814 9.920 1.00 0.00 C ATOM 758 C LEU A 45 16.282 13.078 10.669 1.00 0.00 C ATOM 759 O LEU A 45 15.333 13.698 11.146 1.00 0.00 O ATOM 760 CB LEU A 45 17.189 15.329 9.848 1.00 0.00 C ATOM 761 CG LEU A 45 15.803 15.797 9.401 1.00 0.00 C ATOM 762 CD1 LEU A 45 14.994 16.328 10.586 1.00 0.00 C ATOM 763 CD2 LEU A 45 15.909 16.826 8.273 1.00 0.00 C ATOM 0 H LEU A 45 17.040 13.777 7.855 1.00 0.00 H new ATOM 0 HA LEU A 45 18.313 13.666 10.487 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.393 15.751 10.832 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.929 15.744 9.164 1.00 0.00 H new ATOM 0 HG LEU A 45 15.265 14.937 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.013 16.654 10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.873 15.538 11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.518 17.171 11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.910 17.142 7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.474 17.691 8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.419 16.379 7.420 1.00 0.00 H new ATOM 775 N VAL A 46 16.436 11.764 10.749 1.00 0.00 N ATOM 776 CA VAL A 46 15.457 10.936 11.433 1.00 0.00 C ATOM 777 C VAL A 46 15.213 11.495 12.836 1.00 0.00 C ATOM 778 O VAL A 46 14.075 11.545 13.299 1.00 0.00 O ATOM 779 CB VAL A 46 15.919 9.478 11.442 1.00 0.00 C ATOM 780 CG1 VAL A 46 15.731 8.834 10.066 1.00 0.00 C ATOM 781 CG2 VAL A 46 17.373 9.367 11.905 1.00 0.00 C ATOM 0 H VAL A 46 17.224 11.253 10.351 1.00 0.00 H new ATOM 0 HA VAL A 46 14.504 10.957 10.905 1.00 0.00 H new ATOM 0 HB VAL A 46 15.298 8.934 12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.067 7.798 10.100 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.677 8.864 9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 46 16.315 9.381 9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.677 8.320 11.902 1.00 0.00 H new ATOM 0 HG22 VAL A 46 18.014 9.933 11.229 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.465 9.769 12.914 1.00 0.00 H new ATOM 791 N LYS A 47 16.302 11.901 13.473 1.00 0.00 N ATOM 792 CA LYS A 47 16.221 12.454 14.815 1.00 0.00 C ATOM 793 C LYS A 47 17.570 13.071 15.190 1.00 0.00 C ATOM 794 O LYS A 47 18.403 12.417 15.814 1.00 0.00 O ATOM 795 CB LYS A 47 15.733 11.393 15.803 1.00 0.00 C ATOM 796 CG LYS A 47 16.753 10.260 15.938 1.00 0.00 C ATOM 797 CD LYS A 47 16.064 8.895 15.890 1.00 0.00 C ATOM 798 CE LYS A 47 16.894 7.836 16.619 1.00 0.00 C ATOM 799 NZ LYS A 47 17.585 6.959 15.647 1.00 0.00 N ATOM 0 H LYS A 47 17.244 11.858 13.085 1.00 0.00 H new ATOM 0 HA LYS A 47 15.483 13.255 14.853 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.561 11.850 16.777 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.778 10.989 15.467 1.00 0.00 H new ATOM 0 HG2 LYS A 47 17.487 10.329 15.136 1.00 0.00 H new ATOM 0 HG3 LYS A 47 17.296 10.365 16.877 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.077 8.966 16.346 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.915 8.595 14.853 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.626 8.321 17.265 1.00 0.00 H new ATOM 0 HE3 LYS A 47 16.248 7.238 17.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.144 6.246 16.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.881 6.483 15.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.217 7.531 15.051 1.00 0.00 H new ATOM 812 N LYS A 48 17.743 14.323 14.792 1.00 0.00 N ATOM 813 CA LYS A 48 18.977 15.035 15.079 1.00 0.00 C ATOM 814 C LYS A 48 19.269 14.957 16.578 1.00 0.00 C ATOM 815 O LYS A 48 18.377 15.164 17.400 1.00 0.00 O ATOM 816 CB LYS A 48 18.908 16.465 14.539 1.00 0.00 C ATOM 817 CG LYS A 48 18.428 16.480 13.086 1.00 0.00 C ATOM 818 CD LYS A 48 19.559 16.885 12.139 1.00 0.00 C ATOM 819 CE LYS A 48 19.647 18.407 12.008 1.00 0.00 C ATOM 820 NZ LYS A 48 20.862 18.916 12.682 1.00 0.00 N ATOM 0 H LYS A 48 17.050 14.862 14.273 1.00 0.00 H new ATOM 0 HA LYS A 48 19.816 14.565 14.566 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.232 17.058 15.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.891 16.931 14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.056 15.493 12.812 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.595 17.175 12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.506 16.493 12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.393 16.441 11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.664 18.687 10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.761 18.867 12.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.906 19.950 12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.830 18.665 13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.705 18.490 12.246 1.00 0.00 H new ATOM 833 N ILE A 49 20.522 14.659 16.890 1.00 0.00 N ATOM 834 CA ILE A 49 20.942 14.552 18.277 1.00 0.00 C ATOM 835 C ILE A 49 20.603 15.851 19.010 1.00 0.00 C ATOM 836 O ILE A 49 20.097 16.795 18.406 1.00 0.00 O ATOM 837 CB ILE A 49 22.421 14.167 18.360 1.00 0.00 C ATOM 838 CG1 ILE A 49 23.306 15.255 17.748 1.00 0.00 C ATOM 839 CG2 ILE A 49 22.669 12.800 17.719 1.00 0.00 C ATOM 840 CD1 ILE A 49 24.542 15.508 18.613 1.00 0.00 C ATOM 0 H ILE A 49 21.260 14.488 16.206 1.00 0.00 H new ATOM 0 HA ILE A 49 20.399 13.751 18.779 1.00 0.00 H new ATOM 0 HB ILE A 49 22.693 14.084 19.412 1.00 0.00 H new ATOM 0 HG12 ILE A 49 23.614 14.957 16.746 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.735 16.178 17.645 1.00 0.00 H new ATOM 0 HG21 ILE A 49 23.728 12.551 17.792 1.00 0.00 H new ATOM 0 HG22 ILE A 49 22.081 12.043 18.238 1.00 0.00 H new ATOM 0 HG23 ILE A 49 22.375 12.831 16.670 1.00 0.00 H new ATOM 0 HD11 ILE A 49 25.154 16.286 18.155 1.00 0.00 H new ATOM 0 HD12 ILE A 49 24.231 15.829 19.607 1.00 0.00 H new ATOM 0 HD13 ILE A 49 25.124 14.590 18.694 1.00 0.00 H new ATOM 852 N ASP A 50 20.895 15.857 20.303 1.00 0.00 N ATOM 853 CA ASP A 50 20.627 17.024 21.125 1.00 0.00 C ATOM 854 C ASP A 50 21.291 16.844 22.491 1.00 0.00 C ATOM 855 O ASP A 50 21.926 17.764 23.003 1.00 0.00 O ATOM 856 CB ASP A 50 19.125 17.206 21.350 1.00 0.00 C ATOM 857 CG ASP A 50 18.561 18.553 20.895 1.00 0.00 C ATOM 858 OD1 ASP A 50 18.461 18.830 19.690 1.00 0.00 O ATOM 859 OD2 ASP A 50 18.211 19.349 21.849 1.00 0.00 O ATOM 0 H ASP A 50 21.315 15.072 20.801 1.00 0.00 H new ATOM 0 HA ASP A 50 21.023 17.898 20.608 1.00 0.00 H new ATOM 0 HB2 ASP A 50 18.595 16.411 20.824 1.00 0.00 H new ATOM 0 HB3 ASP A 50 18.914 17.081 22.412 1.00 0.00 H new ATOM 865 N HIS A 51 21.122 15.651 23.043 1.00 0.00 N ATOM 866 CA HIS A 51 21.698 15.338 24.340 1.00 0.00 C ATOM 867 C HIS A 51 21.552 16.543 25.271 1.00 0.00 C ATOM 868 O HIS A 51 22.544 17.067 25.775 1.00 0.00 O ATOM 869 CB HIS A 51 23.149 14.875 24.193 1.00 0.00 C ATOM 870 CG HIS A 51 23.826 14.552 25.504 1.00 0.00 C ATOM 871 ND1 HIS A 51 23.439 14.791 26.790 1.00 0.00 N flip ATOM 872 CD2 HIS A 51 25.049 13.908 25.577 1.00 0.00 C flip ATOM 873 CE1 HIS A 51 24.374 14.318 27.604 1.00 0.00 C flip ATOM 874 NE2 HIS A 51 25.373 13.770 26.854 1.00 0.00 N flip ATOM 0 H HIS A 51 20.594 14.890 22.616 1.00 0.00 H new ATOM 0 HA HIS A 51 21.156 14.507 24.791 1.00 0.00 H new ATOM 0 HB2 HIS A 51 23.175 13.992 23.555 1.00 0.00 H new ATOM 0 HB3 HIS A 51 23.718 15.653 23.684 1.00 0.00 H new ATOM 0 HD2 HIS A 51 25.639 13.575 24.736 1.00 0.00 H new ATOM 0 HE1 HIS A 51 24.348 14.360 28.683 1.00 0.00 H new ATOM 0 HE2 HIS A 51 26.221 13.331 27.213 1.00 0.00 H new ATOM 882 N ALA A 52 20.306 16.948 25.470 1.00 0.00 N ATOM 883 CA ALA A 52 20.017 18.082 26.332 1.00 0.00 C ATOM 884 C ALA A 52 19.195 17.608 27.532 1.00 0.00 C ATOM 885 O ALA A 52 18.736 16.468 27.564 1.00 0.00 O ATOM 886 CB ALA A 52 19.299 19.166 25.525 1.00 0.00 C ATOM 0 H ALA A 52 19.486 16.512 25.049 1.00 0.00 H new ATOM 0 HA ALA A 52 20.939 18.518 26.716 1.00 0.00 H new ATOM 0 HB1 ALA A 52 19.082 20.017 26.171 1.00 0.00 H new ATOM 0 HB2 ALA A 52 19.936 19.489 24.702 1.00 0.00 H new ATOM 0 HB3 ALA A 52 18.367 18.766 25.127 1.00 0.00 H new ATOM 892 N LYS A 53 19.035 18.509 28.491 1.00 0.00 N ATOM 893 CA LYS A 53 18.277 18.197 29.691 1.00 0.00 C ATOM 894 C LYS A 53 16.801 18.022 29.326 1.00 0.00 C ATOM 895 O LYS A 53 16.257 16.924 29.434 1.00 0.00 O ATOM 896 CB LYS A 53 18.522 19.255 30.769 1.00 0.00 C ATOM 897 CG LYS A 53 19.987 19.259 31.210 1.00 0.00 C ATOM 898 CD LYS A 53 20.263 18.131 32.206 1.00 0.00 C ATOM 899 CE LYS A 53 21.402 18.505 33.157 1.00 0.00 C ATOM 900 NZ LYS A 53 20.953 18.414 34.564 1.00 0.00 N ATOM 0 H LYS A 53 19.417 19.454 28.461 1.00 0.00 H new ATOM 0 HA LYS A 53 18.614 17.253 30.120 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.251 20.239 30.386 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.880 19.059 31.628 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.633 19.146 30.339 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.231 20.219 31.665 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.361 17.919 32.779 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.520 17.219 31.666 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.251 17.840 32.996 1.00 0.00 H new ATOM 0 HE3 LYS A 53 21.745 19.517 32.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 21.738 18.671 35.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.157 19.066 34.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.648 17.441 34.769 1.00 0.00 H new ATOM 913 N VAL A 54 16.196 19.121 28.900 1.00 0.00 N ATOM 914 CA VAL A 54 14.794 19.103 28.518 1.00 0.00 C ATOM 915 C VAL A 54 14.012 18.235 29.506 1.00 0.00 C ATOM 916 O VAL A 54 13.797 17.049 29.261 1.00 0.00 O ATOM 917 CB VAL A 54 14.653 18.634 27.069 1.00 0.00 C ATOM 918 CG1 VAL A 54 15.725 17.599 26.720 1.00 0.00 C ATOM 919 CG2 VAL A 54 13.251 18.081 26.805 1.00 0.00 C ATOM 0 H VAL A 54 16.651 20.030 28.811 1.00 0.00 H new ATOM 0 HA VAL A 54 14.373 20.107 28.563 1.00 0.00 H new ATOM 0 HB VAL A 54 14.799 19.499 26.422 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.602 17.283 25.684 1.00 0.00 H new ATOM 0 HG12 VAL A 54 16.713 18.041 26.849 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.625 16.735 27.378 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.178 17.755 25.768 1.00 0.00 H new ATOM 0 HG22 VAL A 54 13.063 17.235 27.466 1.00 0.00 H new ATOM 0 HG23 VAL A 54 12.511 18.859 26.993 1.00 0.00 H new ATOM 929 N ARG A 55 13.607 18.860 30.602 1.00 0.00 N ATOM 930 CA ARG A 55 12.853 18.160 31.628 1.00 0.00 C ATOM 931 C ARG A 55 11.351 18.297 31.369 1.00 0.00 C ATOM 932 O ARG A 55 10.691 19.152 31.957 1.00 0.00 O ATOM 933 CB ARG A 55 13.176 18.709 33.019 1.00 0.00 C ATOM 934 CG ARG A 55 14.645 18.473 33.374 1.00 0.00 C ATOM 935 CD ARG A 55 14.909 16.995 33.668 1.00 0.00 C ATOM 936 NE ARG A 55 14.568 16.691 35.076 1.00 0.00 N ATOM 937 CZ ARG A 55 13.353 16.270 35.486 1.00 0.00 C ATOM 938 NH1 ARG A 55 12.350 16.100 34.599 1.00 0.00 N ATOM 939 NH2 ARG A 55 13.160 16.027 36.770 1.00 0.00 N ATOM 0 H ARG A 55 13.787 19.844 30.802 1.00 0.00 H new ATOM 0 HA ARG A 55 13.137 17.108 31.590 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.957 19.776 33.052 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.537 18.229 33.761 1.00 0.00 H new ATOM 0 HG2 ARG A 55 15.279 18.802 32.551 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.914 19.074 34.243 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.317 16.371 32.999 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.956 16.760 33.480 1.00 0.00 H new ATOM 0 HE ARG A 55 15.297 16.807 35.780 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.507 16.290 33.609 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.435 15.781 34.918 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.923 16.158 37.434 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.248 15.708 37.097 1.00 0.00 H new ATOM 952 N LYS A 56 10.855 17.440 30.488 1.00 0.00 N ATOM 953 CA LYS A 56 9.443 17.454 30.145 1.00 0.00 C ATOM 954 C LYS A 56 8.614 17.189 31.403 1.00 0.00 C ATOM 955 O LYS A 56 9.149 16.763 32.425 1.00 0.00 O ATOM 956 CB LYS A 56 9.159 16.476 29.003 1.00 0.00 C ATOM 957 CG LYS A 56 9.846 16.925 27.712 1.00 0.00 C ATOM 958 CD LYS A 56 9.244 16.219 26.496 1.00 0.00 C ATOM 959 CE LYS A 56 10.294 16.018 25.402 1.00 0.00 C ATOM 960 NZ LYS A 56 9.913 14.896 24.517 1.00 0.00 N ATOM 0 H LYS A 56 11.405 16.732 30.002 1.00 0.00 H new ATOM 0 HA LYS A 56 9.151 18.436 29.772 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.508 15.480 29.277 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.084 16.404 28.841 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.744 18.004 27.598 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.913 16.710 27.770 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.837 15.253 26.796 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.414 16.807 26.104 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.397 16.932 24.817 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.265 15.818 25.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.637 14.774 23.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.838 14.023 25.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.996 15.102 24.071 1.00 0.00 H new ATOM 973 N HIS A 57 7.320 17.451 31.286 1.00 0.00 N ATOM 974 CA HIS A 57 6.411 17.245 32.401 1.00 0.00 C ATOM 975 C HIS A 57 7.073 17.721 33.696 1.00 0.00 C ATOM 976 O HIS A 57 7.654 16.924 34.430 1.00 0.00 O ATOM 977 CB HIS A 57 5.956 15.787 32.469 1.00 0.00 C ATOM 978 CG HIS A 57 4.460 15.604 32.368 1.00 0.00 C ATOM 979 ND1 HIS A 57 3.864 14.363 32.231 1.00 0.00 N ATOM 980 CD2 HIS A 57 3.448 16.518 32.385 1.00 0.00 C ATOM 981 CE1 HIS A 57 2.552 14.534 32.169 1.00 0.00 C ATOM 982 NE2 HIS A 57 2.296 15.871 32.264 1.00 0.00 N ATOM 0 H HIS A 57 6.880 17.804 30.436 1.00 0.00 H new ATOM 0 HA HIS A 57 5.509 17.839 32.255 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.435 15.230 31.664 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.302 15.353 33.407 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.565 17.587 32.481 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.814 13.752 32.062 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.372 16.302 32.245 1.00 0.00 H new ATOM 990 N GLN A 58 6.962 19.020 33.937 1.00 0.00 N ATOM 991 CA GLN A 58 7.542 19.611 35.131 1.00 0.00 C ATOM 992 C GLN A 58 6.513 19.640 36.263 1.00 0.00 C ATOM 993 O GLN A 58 6.327 20.667 36.913 1.00 0.00 O ATOM 994 CB GLN A 58 8.078 21.015 34.842 1.00 0.00 C ATOM 995 CG GLN A 58 6.955 21.947 34.383 1.00 0.00 C ATOM 996 CD GLN A 58 7.453 23.389 34.263 1.00 0.00 C ATOM 997 OE1 GLN A 58 7.189 24.236 35.100 1.00 0.00 O ATOM 998 NE2 GLN A 58 8.188 23.619 33.179 1.00 0.00 N ATOM 0 H GLN A 58 6.479 19.679 33.326 1.00 0.00 H new ATOM 0 HA GLN A 58 8.383 18.994 35.447 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.548 21.420 35.738 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.849 20.963 34.073 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.569 21.611 33.421 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.128 21.902 35.092 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.371 22.864 32.518 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.568 24.550 33.009 1.00 0.00 H new ATOM 1007 N ARG A 59 5.870 18.498 36.464 1.00 0.00 N ATOM 1008 CA ARG A 59 4.864 18.379 37.506 1.00 0.00 C ATOM 1009 C ARG A 59 3.697 19.329 37.229 1.00 0.00 C ATOM 1010 O ARG A 59 3.861 20.335 36.540 1.00 0.00 O ATOM 1011 CB ARG A 59 5.456 18.697 38.881 1.00 0.00 C ATOM 1012 CG ARG A 59 6.046 17.442 39.527 1.00 0.00 C ATOM 1013 CD ARG A 59 7.503 17.670 39.936 1.00 0.00 C ATOM 1014 NE ARG A 59 7.576 18.025 41.371 1.00 0.00 N ATOM 1015 CZ ARG A 59 7.375 17.150 42.379 1.00 0.00 C ATOM 1016 NH1 ARG A 59 7.086 15.857 42.116 1.00 0.00 N ATOM 1017 NH2 ARG A 59 7.465 17.576 43.625 1.00 0.00 N ATOM 0 H ARG A 59 6.026 17.648 35.923 1.00 0.00 H new ATOM 0 HA ARG A 59 4.506 17.349 37.506 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.231 19.457 38.780 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.683 19.113 39.526 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.457 17.168 40.402 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.987 16.607 38.829 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.088 16.770 39.745 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.938 18.467 39.333 1.00 0.00 H new ATOM 0 HE ARG A 59 7.792 18.992 41.614 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.018 15.536 41.150 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.935 15.202 42.883 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.684 18.554 43.815 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.316 16.927 44.398 1.00 0.00 H new ATOM 1030 N LYS A 60 2.545 18.976 37.779 1.00 0.00 N ATOM 1031 CA LYS A 60 1.351 19.784 37.599 1.00 0.00 C ATOM 1032 C LYS A 60 1.631 21.212 38.072 1.00 0.00 C ATOM 1033 O LYS A 60 2.782 21.578 38.304 1.00 0.00 O ATOM 1034 CB LYS A 60 0.153 19.131 38.291 1.00 0.00 C ATOM 1035 CG LYS A 60 0.307 19.176 39.812 1.00 0.00 C ATOM 1036 CD LYS A 60 1.034 17.931 40.326 1.00 0.00 C ATOM 1037 CE LYS A 60 0.263 17.282 41.477 1.00 0.00 C ATOM 1038 NZ LYS A 60 0.314 15.807 41.368 1.00 0.00 N ATOM 0 H LYS A 60 2.413 18.141 38.350 1.00 0.00 H new ATOM 0 HA LYS A 60 1.087 19.843 36.543 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.764 19.644 37.999 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.058 18.096 37.962 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.861 20.070 40.099 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.675 19.247 40.279 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.154 17.214 39.514 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.035 18.202 40.661 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.688 17.597 42.430 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.774 17.618 41.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.214 15.382 42.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.112 15.511 40.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.304 15.490 41.404 1.00 0.00 H new ATOM 1051 N PHE A 61 0.559 21.980 38.200 1.00 0.00 N ATOM 1052 CA PHE A 61 0.675 23.360 38.642 1.00 0.00 C ATOM 1053 C PHE A 61 -0.352 23.675 39.731 1.00 0.00 C ATOM 1054 O PHE A 61 -1.556 23.648 39.480 1.00 0.00 O ATOM 1055 CB PHE A 61 0.398 24.243 37.424 1.00 0.00 C ATOM 1056 CG PHE A 61 1.603 24.423 36.498 1.00 0.00 C ATOM 1057 CD1 PHE A 61 1.910 23.461 35.588 1.00 0.00 C ATOM 1058 CD2 PHE A 61 2.366 25.545 36.586 1.00 0.00 C ATOM 1059 CE1 PHE A 61 3.029 23.628 34.729 1.00 0.00 C ATOM 1060 CE2 PHE A 61 3.484 25.712 35.727 1.00 0.00 C ATOM 1061 CZ PHE A 61 3.792 24.750 34.816 1.00 0.00 C ATOM 0 H PHE A 61 -0.394 21.673 38.005 1.00 0.00 H new ATOM 0 HA PHE A 61 1.668 23.537 39.056 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.424 23.810 36.854 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.067 25.223 37.767 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.303 22.570 35.518 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.122 26.309 37.309 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.274 22.863 34.007 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.090 26.603 35.797 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.642 24.877 34.162 1.00 0.00 H new ATOM 1071 N LEU A 62 0.161 23.967 40.917 1.00 0.00 N ATOM 1072 CA LEU A 62 -0.697 24.288 42.045 1.00 0.00 C ATOM 1073 C LEU A 62 -0.009 25.335 42.922 1.00 0.00 C ATOM 1074 O LEU A 62 1.212 25.481 42.879 1.00 0.00 O ATOM 1075 CB LEU A 62 -1.088 23.015 42.799 1.00 0.00 C ATOM 1076 CG LEU A 62 -0.020 22.430 43.726 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -0.635 21.972 45.050 1.00 0.00 C ATOM 1078 CD2 LEU A 62 0.751 21.305 43.033 1.00 0.00 C ATOM 0 H LEU A 62 1.160 23.988 41.121 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.633 24.727 41.699 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.979 23.226 43.391 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.364 22.254 42.069 1.00 0.00 H new ATOM 0 HG LEU A 62 0.698 23.216 43.959 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.145 21.560 45.690 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.102 22.822 45.548 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.387 21.207 44.857 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.504 20.907 43.714 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.060 20.510 42.751 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.239 21.695 42.140 1.00 0.00 H new ATOM 1090 N GLN A 63 -0.822 26.038 43.697 1.00 0.00 N ATOM 1091 CA GLN A 63 -0.306 27.068 44.583 1.00 0.00 C ATOM 1092 C GLN A 63 0.899 26.541 45.365 1.00 0.00 C ATOM 1093 O GLN A 63 2.019 27.013 45.178 1.00 0.00 O ATOM 1094 CB GLN A 63 -1.397 27.573 45.530 1.00 0.00 C ATOM 1095 CG GLN A 63 -2.527 28.251 44.753 1.00 0.00 C ATOM 1096 CD GLN A 63 -3.610 28.769 45.701 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -4.160 28.043 46.513 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -3.885 30.062 45.553 1.00 0.00 N ATOM 0 H GLN A 63 -1.834 25.915 43.730 1.00 0.00 H new ATOM 0 HA GLN A 63 0.021 27.912 43.976 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.797 26.739 46.107 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.968 28.277 46.243 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.125 29.078 44.167 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.964 27.544 44.048 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.387 30.613 44.854 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.594 30.503 46.139 1.00 0.00 H new ATOM 1107 N ALA A 64 0.627 25.571 46.225 1.00 0.00 N ATOM 1108 CA ALA A 64 1.675 24.975 47.036 1.00 0.00 C ATOM 1109 C ALA A 64 1.908 25.840 48.276 1.00 0.00 C ATOM 1110 O ALA A 64 2.580 26.868 48.203 1.00 0.00 O ATOM 1111 CB ALA A 64 2.941 24.810 46.194 1.00 0.00 C ATOM 0 H ALA A 64 -0.304 25.183 46.378 1.00 0.00 H new ATOM 0 HA ALA A 64 1.379 23.983 47.377 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.727 24.363 46.803 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.730 24.164 45.342 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.270 25.786 45.836 1.00 0.00 H new ATOM 1117 N ILE A 65 1.340 25.392 49.386 1.00 0.00 N ATOM 1118 CA ILE A 65 1.477 26.113 50.641 1.00 0.00 C ATOM 1119 C ILE A 65 1.875 25.133 51.746 1.00 0.00 C ATOM 1120 O ILE A 65 3.019 24.685 51.801 1.00 0.00 O ATOM 1121 CB ILE A 65 0.203 26.902 50.948 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -1.042 26.114 50.537 1.00 0.00 C ATOM 1123 CG2 ILE A 65 0.245 28.287 50.298 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -2.205 26.389 51.493 1.00 0.00 C ATOM 0 H ILE A 65 0.784 24.539 49.443 1.00 0.00 H new ATOM 0 HA ILE A 65 2.273 26.854 50.570 1.00 0.00 H new ATOM 0 HB ILE A 65 0.147 27.054 52.026 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.330 26.385 49.521 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.816 25.048 50.530 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.673 28.827 50.532 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.101 28.843 50.681 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.337 28.179 49.217 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.078 25.817 51.178 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.923 26.094 52.504 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.444 27.452 51.479 1.00 0.00 H new ATOM 1136 N HIS A 66 0.908 24.829 52.599 1.00 0.00 N ATOM 1137 CA HIS A 66 1.143 23.910 53.700 1.00 0.00 C ATOM 1138 C HIS A 66 2.521 24.180 54.309 1.00 0.00 C ATOM 1139 O HIS A 66 3.391 23.311 54.294 1.00 0.00 O ATOM 1140 CB HIS A 66 0.970 22.460 53.244 1.00 0.00 C ATOM 1141 CG HIS A 66 0.264 21.580 54.248 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -0.774 20.732 53.902 1.00 0.00 N ATOM 1143 CD2 HIS A 66 0.458 21.424 55.589 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -1.179 20.101 54.994 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -0.415 20.532 56.038 1.00 0.00 N ATOM 0 H HIS A 66 -0.040 25.203 52.550 1.00 0.00 H new ATOM 0 HA HIS A 66 0.401 24.075 54.481 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.410 22.448 52.309 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.952 22.037 53.033 1.00 0.00 H new ATOM 0 HD2 HIS A 66 1.197 21.939 56.184 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.975 19.373 55.048 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -0.501 20.220 57.005 1.00 0.00 H new ATOM 1153 N GLN A 67 2.675 25.388 54.830 1.00 0.00 N ATOM 1154 CA GLN A 67 3.932 25.783 55.443 1.00 0.00 C ATOM 1155 C GLN A 67 4.011 25.259 56.879 1.00 0.00 C ATOM 1156 O GLN A 67 4.185 26.035 57.817 1.00 0.00 O ATOM 1157 CB GLN A 67 4.107 27.302 55.403 1.00 0.00 C ATOM 1158 CG GLN A 67 4.869 27.734 54.148 1.00 0.00 C ATOM 1159 CD GLN A 67 5.074 29.250 54.125 1.00 0.00 C ATOM 1160 OE1 GLN A 67 5.956 29.793 54.769 1.00 0.00 O ATOM 1161 NE2 GLN A 67 4.211 29.901 53.350 1.00 0.00 N ATOM 0 H GLN A 67 1.951 26.106 54.840 1.00 0.00 H new ATOM 0 HA GLN A 67 4.748 25.341 54.871 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.130 27.785 55.424 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.645 27.633 56.291 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.836 27.232 54.115 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.319 27.424 53.260 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.496 29.385 52.837 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.264 30.916 53.268 1.00 0.00 H new ATOM 1170 N LEU A 68 3.878 23.947 57.004 1.00 0.00 N ATOM 1171 CA LEU A 68 3.932 23.311 58.309 1.00 0.00 C ATOM 1172 C LEU A 68 3.190 24.180 59.326 1.00 0.00 C ATOM 1173 O LEU A 68 3.814 24.865 60.135 1.00 0.00 O ATOM 1174 CB LEU A 68 5.380 23.009 58.699 1.00 0.00 C ATOM 1175 CG LEU A 68 6.458 23.721 57.879 1.00 0.00 C ATOM 1176 CD1 LEU A 68 6.590 25.185 58.302 1.00 0.00 C ATOM 1177 CD2 LEU A 68 7.792 22.977 57.963 1.00 0.00 C ATOM 0 H LEU A 68 3.733 23.307 56.223 1.00 0.00 H new ATOM 0 HA LEU A 68 3.426 22.346 58.283 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.516 23.273 59.748 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.541 21.934 58.618 1.00 0.00 H new ATOM 0 HG LEU A 68 6.152 23.714 56.833 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.363 25.668 57.704 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.639 25.695 58.148 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.862 25.236 59.356 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.540 23.504 57.371 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.118 22.930 59.002 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.670 21.966 57.575 1.00 0.00 H new ATOM 1189 N ARG A 69 1.868 24.124 59.253 1.00 0.00 N ATOM 1190 CA ARG A 69 1.034 24.897 60.157 1.00 0.00 C ATOM 1191 C ARG A 69 0.102 23.972 60.942 1.00 0.00 C ATOM 1192 O ARG A 69 -1.118 24.109 60.871 1.00 0.00 O ATOM 1193 CB ARG A 69 0.197 25.924 59.392 1.00 0.00 C ATOM 1194 CG ARG A 69 1.028 27.162 59.047 1.00 0.00 C ATOM 1195 CD ARG A 69 0.578 27.771 57.718 1.00 0.00 C ATOM 1196 NE ARG A 69 0.427 29.237 57.859 1.00 0.00 N ATOM 1197 CZ ARG A 69 1.457 30.088 58.056 1.00 0.00 C ATOM 1198 NH1 ARG A 69 2.722 29.625 58.137 1.00 0.00 N ATOM 1199 NH2 ARG A 69 1.207 31.379 58.167 1.00 0.00 N ATOM 0 H ARG A 69 1.354 23.555 58.581 1.00 0.00 H new ATOM 0 HA ARG A 69 1.693 25.424 60.847 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.189 25.475 58.477 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.665 26.216 59.992 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.932 27.902 59.841 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.082 26.892 58.989 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.307 27.545 56.940 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.368 27.328 57.407 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.513 29.629 57.804 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.906 28.626 58.049 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.494 30.275 58.286 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.248 31.720 58.104 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.973 32.036 58.316 1.00 0.00 H new ATOM 1212 N SER A 70 0.713 23.051 61.672 1.00 0.00 N ATOM 1213 CA SER A 70 -0.048 22.103 62.470 1.00 0.00 C ATOM 1214 C SER A 70 0.895 21.302 63.370 1.00 0.00 C ATOM 1215 O SER A 70 0.896 20.073 63.337 1.00 0.00 O ATOM 1216 CB SER A 70 -0.859 21.161 61.579 1.00 0.00 C ATOM 1217 OG SER A 70 -2.144 21.694 61.269 1.00 0.00 O ATOM 0 H SER A 70 1.725 22.940 61.728 1.00 0.00 H new ATOM 0 HA SER A 70 -0.747 22.662 63.093 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.311 20.975 60.655 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.976 20.200 62.080 1.00 0.00 H new ATOM 0 HG SER A 70 -2.077 22.666 61.160 1.00 0.00 H new ATOM 1223 N VAL A 71 1.675 22.032 64.154 1.00 0.00 N ATOM 1224 CA VAL A 71 2.620 21.405 65.062 1.00 0.00 C ATOM 1225 C VAL A 71 1.852 20.651 66.150 1.00 0.00 C ATOM 1226 O VAL A 71 2.440 19.884 66.912 1.00 0.00 O ATOM 1227 CB VAL A 71 3.579 22.455 65.627 1.00 0.00 C ATOM 1228 CG1 VAL A 71 4.588 22.902 64.568 1.00 0.00 C ATOM 1229 CG2 VAL A 71 2.810 23.652 66.192 1.00 0.00 C ATOM 0 H VAL A 71 1.672 23.052 64.179 1.00 0.00 H new ATOM 0 HA VAL A 71 3.233 20.676 64.531 1.00 0.00 H new ATOM 0 HB VAL A 71 4.134 21.996 66.446 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.258 23.648 64.996 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.169 22.043 64.233 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.058 23.334 63.719 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.515 24.384 66.587 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.217 24.110 65.400 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.150 23.316 66.991 1.00 0.00 H new ATOM 1239 N LYS A 72 0.550 20.893 66.187 1.00 0.00 N ATOM 1240 CA LYS A 72 -0.304 20.246 67.168 1.00 0.00 C ATOM 1241 C LYS A 72 -1.766 20.585 66.868 1.00 0.00 C ATOM 1242 O LYS A 72 -2.181 21.735 67.006 1.00 0.00 O ATOM 1243 CB LYS A 72 0.134 20.616 68.587 1.00 0.00 C ATOM 1244 CG LYS A 72 0.215 22.134 68.758 1.00 0.00 C ATOM 1245 CD LYS A 72 -0.507 22.582 70.030 1.00 0.00 C ATOM 1246 CE LYS A 72 0.369 22.359 71.265 1.00 0.00 C ATOM 1247 NZ LYS A 72 0.672 23.649 71.924 1.00 0.00 N ATOM 0 H LYS A 72 0.066 21.529 65.553 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.207 19.162 67.101 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.571 20.202 69.308 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.106 20.170 68.799 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.259 22.444 68.800 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.228 22.625 67.892 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.769 23.637 69.951 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.440 22.029 70.137 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.141 21.697 71.965 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.296 21.865 70.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.267 23.480 72.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.177 24.268 71.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.215 24.106 72.217 1.00 0.00 H new ATOM 1260 N MET A 73 -2.506 19.564 66.463 1.00 0.00 N ATOM 1261 CA MET A 73 -3.912 19.739 66.142 1.00 0.00 C ATOM 1262 C MET A 73 -4.622 20.561 67.220 1.00 0.00 C ATOM 1263 O MET A 73 -4.495 20.273 68.409 1.00 0.00 O ATOM 1264 CB MET A 73 -4.582 18.369 66.020 1.00 0.00 C ATOM 1265 CG MET A 73 -4.157 17.446 67.164 1.00 0.00 C ATOM 1266 SD MET A 73 -5.585 16.620 67.846 1.00 0.00 S ATOM 1267 CE MET A 73 -6.018 15.567 66.471 1.00 0.00 C ATOM 0 H MET A 73 -2.158 18.612 66.350 1.00 0.00 H new ATOM 0 HA MET A 73 -3.986 20.275 65.196 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.665 18.488 66.028 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.318 17.915 65.065 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.440 16.710 66.801 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.655 18.023 67.941 1.00 0.00 H new ATOM 0 HE1 MET A 73 -6.792 14.865 66.780 1.00 0.00 H new ATOM 0 HE2 MET A 73 -6.389 16.178 65.648 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.137 15.015 66.144 1.00 0.00 H new ATOM 1277 N GLU A 74 -5.353 21.568 66.766 1.00 0.00 N ATOM 1278 CA GLU A 74 -6.083 22.433 67.676 1.00 0.00 C ATOM 1279 C GLU A 74 -7.548 21.998 67.762 1.00 0.00 C ATOM 1280 O GLU A 74 -8.133 21.574 66.767 1.00 0.00 O ATOM 1281 CB GLU A 74 -5.970 23.898 67.249 1.00 0.00 C ATOM 1282 CG GLU A 74 -6.559 24.109 65.853 1.00 0.00 C ATOM 1283 CD GLU A 74 -5.485 23.949 64.775 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -5.452 22.922 64.081 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -4.666 24.939 64.670 1.00 0.00 O ATOM 0 H GLU A 74 -5.455 21.804 65.779 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.639 22.342 68.667 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.491 24.531 67.967 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.924 24.203 67.256 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.362 23.392 65.681 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.000 25.103 65.787 1.00 0.00 H new ATOM 1293 N GLN A 75 -8.098 22.119 68.961 1.00 0.00 N ATOM 1294 CA GLN A 75 -9.483 21.744 69.190 1.00 0.00 C ATOM 1295 C GLN A 75 -10.168 22.769 70.097 1.00 0.00 C ATOM 1296 O GLN A 75 -9.509 23.640 70.662 1.00 0.00 O ATOM 1297 CB GLN A 75 -9.579 20.337 69.783 1.00 0.00 C ATOM 1298 CG GLN A 75 -10.090 19.338 68.743 1.00 0.00 C ATOM 1299 CD GLN A 75 -10.883 18.211 69.409 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -10.464 17.066 69.457 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -12.050 18.598 69.918 1.00 0.00 N ATOM 0 H GLN A 75 -7.610 22.471 69.784 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.000 21.735 68.230 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.600 20.023 70.144 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.248 20.346 70.644 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.721 19.853 68.018 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.248 18.919 68.192 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.341 19.573 69.843 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.654 17.920 70.383 1.00 0.00 H new ATOM 1310 N ARG A 76 -11.481 22.630 70.207 1.00 0.00 N ATOM 1311 CA ARG A 76 -12.262 23.533 71.035 1.00 0.00 C ATOM 1312 C ARG A 76 -12.174 23.115 72.505 1.00 0.00 C ATOM 1313 O ARG A 76 -13.191 22.827 73.134 1.00 0.00 O ATOM 1314 CB ARG A 76 -13.729 23.546 70.603 1.00 0.00 C ATOM 1315 CG ARG A 76 -14.341 22.147 70.696 1.00 0.00 C ATOM 1316 CD ARG A 76 -15.816 22.218 71.097 1.00 0.00 C ATOM 1317 NE ARG A 76 -16.671 22.202 69.889 1.00 0.00 N ATOM 1318 CZ ARG A 76 -17.965 21.818 69.883 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -18.566 21.415 71.023 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -18.634 21.842 68.745 1.00 0.00 N ATOM 0 H ARG A 76 -12.024 21.906 69.737 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.850 24.535 70.913 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.291 24.235 71.233 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.807 23.914 69.580 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.246 21.640 69.736 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.790 21.553 71.426 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.067 21.375 71.741 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.002 23.125 71.672 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.257 22.500 69.006 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.042 21.399 71.898 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.544 21.127 71.009 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.172 22.147 67.888 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.613 21.555 68.723 1.00 0.00 H new ATOM 1333 N LYS A 77 -10.949 23.096 73.009 1.00 0.00 N ATOM 1334 CA LYS A 77 -10.715 22.718 74.392 1.00 0.00 C ATOM 1335 C LYS A 77 -9.384 23.311 74.860 1.00 0.00 C ATOM 1336 O LYS A 77 -8.677 23.950 74.082 1.00 0.00 O ATOM 1337 CB LYS A 77 -10.803 21.200 74.556 1.00 0.00 C ATOM 1338 CG LYS A 77 -12.170 20.786 75.105 1.00 0.00 C ATOM 1339 CD LYS A 77 -12.052 19.543 75.989 1.00 0.00 C ATOM 1340 CE LYS A 77 -12.793 19.740 77.313 1.00 0.00 C ATOM 1341 NZ LYS A 77 -14.069 18.990 77.309 1.00 0.00 N ATOM 0 H LYS A 77 -10.108 23.336 72.484 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.492 23.130 75.036 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.632 20.716 73.594 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.018 20.857 75.230 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.598 21.607 75.680 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.852 20.586 74.279 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.460 18.679 75.465 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.001 19.330 76.184 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.168 19.402 78.140 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.988 20.800 77.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.559 19.134 78.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.670 19.331 76.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.876 17.977 77.178 1.00 0.00 H new ATOM 1354 N LEU A 78 -9.082 23.077 76.129 1.00 0.00 N ATOM 1355 CA LEU A 78 -7.848 23.579 76.709 1.00 0.00 C ATOM 1356 C LEU A 78 -7.853 25.108 76.662 1.00 0.00 C ATOM 1357 O LEU A 78 -8.094 25.763 77.675 1.00 0.00 O ATOM 1358 CB LEU A 78 -6.636 22.947 76.022 1.00 0.00 C ATOM 1359 CG LEU A 78 -6.865 21.573 75.388 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -5.664 21.154 74.538 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -7.207 20.528 76.453 1.00 0.00 C ATOM 0 H LEU A 78 -9.671 22.547 76.771 1.00 0.00 H new ATOM 0 HA LEU A 78 -7.776 23.292 77.758 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.286 23.629 75.247 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.834 22.858 76.754 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.723 21.644 74.719 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.853 20.174 74.099 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.508 21.884 73.743 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.774 21.105 75.165 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.365 19.561 75.976 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.385 20.452 77.165 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.115 20.827 76.977 1.00 0.00 H new ATOM 1373 N ASN A 79 -7.583 25.633 75.476 1.00 0.00 N ATOM 1374 CA ASN A 79 -7.554 27.073 75.284 1.00 0.00 C ATOM 1375 C ASN A 79 -6.848 27.727 76.473 1.00 0.00 C ATOM 1376 O ASN A 79 -7.144 28.869 76.823 1.00 0.00 O ATOM 1377 CB ASN A 79 -8.970 27.646 75.199 1.00 0.00 C ATOM 1378 CG ASN A 79 -8.940 29.123 74.801 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -8.165 29.551 73.962 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -9.825 29.876 75.448 1.00 0.00 N ATOM 0 H ASN A 79 -7.382 25.087 74.638 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.026 27.279 74.353 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.552 27.081 74.471 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.470 27.535 76.161 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.884 30.875 75.253 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.445 29.454 76.139 1.00 0.00 H new ATOM 1387 N ASP A 80 -5.930 26.976 77.062 1.00 0.00 N ATOM 1388 CA ASP A 80 -5.180 27.469 78.205 1.00 0.00 C ATOM 1389 C ASP A 80 -6.152 27.816 79.335 1.00 0.00 C ATOM 1390 O ASP A 80 -6.643 28.941 79.412 1.00 0.00 O ATOM 1391 CB ASP A 80 -4.399 28.735 77.847 1.00 0.00 C ATOM 1392 CG ASP A 80 -3.273 28.534 76.832 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -2.402 27.668 77.006 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -3.312 29.323 75.811 1.00 0.00 O ATOM 0 H ASP A 80 -5.688 26.029 76.769 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.482 26.690 78.512 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.096 29.474 77.452 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.975 29.152 78.760 1.00 0.00 H new ATOM 1400 N GLN A 81 -6.399 26.829 80.184 1.00 0.00 N ATOM 1401 CA GLN A 81 -7.302 27.016 81.307 1.00 0.00 C ATOM 1402 C GLN A 81 -6.509 27.285 82.587 1.00 0.00 C ATOM 1403 O GLN A 81 -6.322 26.386 83.406 1.00 0.00 O ATOM 1404 CB GLN A 81 -8.224 25.807 81.476 1.00 0.00 C ATOM 1405 CG GLN A 81 -9.163 25.996 82.669 1.00 0.00 C ATOM 1406 CD GLN A 81 -10.427 25.148 82.512 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -11.182 25.282 81.564 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -10.613 24.268 83.492 1.00 0.00 N ATOM 0 H GLN A 81 -5.989 25.897 80.117 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.929 27.884 81.103 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.809 25.661 80.568 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.626 24.907 81.618 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.648 25.720 83.589 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.435 27.048 82.759 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.941 24.207 84.257 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.427 23.654 83.478 1.00 0.00 H new ATOM 1417 N ALA A 82 -6.064 28.526 82.720 1.00 0.00 N ATOM 1418 CA ALA A 82 -5.296 28.924 83.888 1.00 0.00 C ATOM 1419 C ALA A 82 -5.580 30.394 84.202 1.00 0.00 C ATOM 1420 O ALA A 82 -5.243 31.277 83.415 1.00 0.00 O ATOM 1421 CB ALA A 82 -3.810 28.658 83.636 1.00 0.00 C ATOM 0 H ALA A 82 -6.220 29.269 82.039 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.589 28.338 84.759 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.233 28.956 84.512 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.658 27.596 83.446 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.479 29.232 82.771 1.00 0.00 H new ATOM 1427 N ASN A 83 -6.196 30.611 85.355 1.00 0.00 N ATOM 1428 CA ASN A 83 -6.529 31.959 85.783 1.00 0.00 C ATOM 1429 C ASN A 83 -7.053 31.918 87.220 1.00 0.00 C ATOM 1430 O ASN A 83 -8.089 31.311 87.490 1.00 0.00 O ATOM 1431 CB ASN A 83 -7.621 32.564 84.899 1.00 0.00 C ATOM 1432 CG ASN A 83 -8.896 31.720 84.947 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -9.791 31.945 85.744 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -8.928 30.737 84.051 1.00 0.00 N ATOM 0 H ASN A 83 -6.473 29.876 86.006 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.628 32.568 85.710 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.840 33.579 85.229 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.265 32.633 83.871 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.736 30.117 84.003 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.144 30.603 83.412 1.00 0.00 H new ATOM 1441 N THR A 84 -6.314 32.571 88.105 1.00 0.00 N ATOM 1442 CA THR A 84 -6.691 32.617 89.507 1.00 0.00 C ATOM 1443 C THR A 84 -8.172 32.973 89.650 1.00 0.00 C ATOM 1444 O THR A 84 -8.813 32.599 90.631 1.00 0.00 O ATOM 1445 CB THR A 84 -5.758 33.601 90.216 1.00 0.00 C ATOM 1446 OG1 THR A 84 -5.591 34.658 89.276 1.00 0.00 O ATOM 1447 CG2 THR A 84 -4.347 33.040 90.401 1.00 0.00 C ATOM 0 H THR A 84 -5.456 33.073 87.878 1.00 0.00 H new ATOM 0 HA THR A 84 -6.577 31.641 89.979 1.00 0.00 H new ATOM 0 HB THR A 84 -6.175 33.861 91.189 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.000 35.342 89.655 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.726 33.778 90.909 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.393 32.130 91.000 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.916 32.812 89.426 1.00 0.00 H new ATOM 1455 N LEU A 85 -8.673 33.691 88.656 1.00 0.00 N ATOM 1456 CA LEU A 85 -10.067 34.102 88.658 1.00 0.00 C ATOM 1457 C LEU A 85 -10.266 35.222 87.634 1.00 0.00 C ATOM 1458 O LEU A 85 -11.348 35.364 87.067 1.00 0.00 O ATOM 1459 CB LEU A 85 -10.513 34.477 90.073 1.00 0.00 C ATOM 1460 CG LEU A 85 -9.491 35.240 90.918 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -9.894 36.708 91.073 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -9.281 34.559 92.272 1.00 0.00 C ATOM 0 H LEU A 85 -8.139 33.999 87.843 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.708 33.274 88.355 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.417 35.081 89.999 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.782 33.563 90.602 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.535 35.221 90.395 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.151 37.227 91.678 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.953 37.175 90.090 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.866 36.769 91.562 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.550 35.122 92.853 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.227 34.526 92.813 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.917 33.544 92.116 1.00 0.00 H new ATOM 1474 N VAL A 86 -9.204 35.987 87.428 1.00 0.00 N ATOM 1475 CA VAL A 86 -9.248 37.090 86.483 1.00 0.00 C ATOM 1476 C VAL A 86 -8.070 36.973 85.514 1.00 0.00 C ATOM 1477 O VAL A 86 -8.082 36.134 84.615 1.00 0.00 O ATOM 1478 CB VAL A 86 -9.275 38.423 87.234 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -10.701 38.788 87.652 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -8.341 38.389 88.444 1.00 0.00 C ATOM 0 H VAL A 86 -8.308 35.865 87.899 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.162 37.048 85.890 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.916 39.197 86.556 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -10.692 39.739 88.184 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.329 38.874 86.765 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.099 38.011 88.305 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.379 39.348 88.960 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.656 37.598 89.125 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.321 38.196 88.111 1.00 0.00 H new ATOM 1490 N ASP A 87 -7.080 37.827 85.731 1.00 0.00 N ATOM 1491 CA ASP A 87 -5.896 37.830 84.889 1.00 0.00 C ATOM 1492 C ASP A 87 -6.317 37.690 83.425 1.00 0.00 C ATOM 1493 O ASP A 87 -6.398 36.580 82.901 1.00 0.00 O ATOM 1494 CB ASP A 87 -4.975 36.657 85.230 1.00 0.00 C ATOM 1495 CG ASP A 87 -5.681 35.311 85.410 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -5.649 34.449 84.520 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -6.291 35.163 86.537 1.00 0.00 O ATOM 0 H ASP A 87 -7.074 38.522 86.478 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.365 38.767 85.057 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.231 36.557 84.440 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.436 36.893 86.147 1.00 0.00 H new ATOM 1503 N LEU A 88 -6.574 38.833 82.805 1.00 0.00 N ATOM 1504 CA LEU A 88 -6.985 38.852 81.411 1.00 0.00 C ATOM 1505 C LEU A 88 -6.452 40.122 80.745 1.00 0.00 C ATOM 1506 O LEU A 88 -6.960 40.542 79.706 1.00 0.00 O ATOM 1507 CB LEU A 88 -8.502 38.688 81.297 1.00 0.00 C ATOM 1508 CG LEU A 88 -9.341 39.898 81.713 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -10.053 40.513 80.507 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -10.319 39.529 82.830 1.00 0.00 C ATOM 0 H LEU A 88 -6.506 39.752 83.242 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.555 38.006 80.875 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.744 38.441 80.263 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.802 37.836 81.907 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.669 40.658 82.112 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -10.642 41.371 80.831 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -9.314 40.836 79.774 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -10.711 39.771 80.056 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -10.903 40.407 83.107 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -10.989 38.743 82.482 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.763 39.174 83.698 1.00 0.00 H new ATOM 1522 N ALA A 89 -5.436 40.699 81.370 1.00 0.00 N ATOM 1523 CA ALA A 89 -4.829 41.912 80.850 1.00 0.00 C ATOM 1524 C ALA A 89 -5.778 43.090 81.079 1.00 0.00 C ATOM 1525 O ALA A 89 -6.214 43.735 80.127 1.00 0.00 O ATOM 1526 CB ALA A 89 -4.485 41.719 79.372 1.00 0.00 C ATOM 0 H ALA A 89 -5.018 40.349 82.232 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.899 42.131 81.374 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.030 42.630 78.983 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.786 40.890 79.267 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.394 41.500 78.812 1.00 0.00 H new ATOM 1532 N LYS A 90 -6.069 43.336 82.348 1.00 0.00 N ATOM 1533 CA LYS A 90 -6.959 44.425 82.714 1.00 0.00 C ATOM 1534 C LYS A 90 -6.346 45.752 82.262 1.00 0.00 C ATOM 1535 O LYS A 90 -7.055 46.640 81.792 1.00 0.00 O ATOM 1536 CB LYS A 90 -7.281 44.374 84.209 1.00 0.00 C ATOM 1537 CG LYS A 90 -6.016 44.131 85.035 1.00 0.00 C ATOM 1538 CD LYS A 90 -6.046 42.749 85.689 1.00 0.00 C ATOM 1539 CE LYS A 90 -5.497 42.806 87.116 1.00 0.00 C ATOM 1540 NZ LYS A 90 -4.599 41.657 87.372 1.00 0.00 N ATOM 0 H LYS A 90 -5.704 42.800 83.136 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.916 44.324 82.202 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.746 45.311 84.517 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.004 43.581 84.402 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.138 44.216 84.395 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.926 44.899 85.803 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.069 42.372 85.704 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.457 42.049 85.096 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.955 43.740 87.266 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.321 42.797 87.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.235 41.711 88.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.127 40.770 87.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.803 41.682 86.703 1.00 0.00 H new ATOM 1553 N THR A 91 -5.033 45.845 82.420 1.00 0.00 N ATOM 1554 CA THR A 91 -4.316 47.049 82.035 1.00 0.00 C ATOM 1555 C THR A 91 -3.554 46.820 80.728 1.00 0.00 C ATOM 1556 O THR A 91 -3.041 47.764 80.130 1.00 0.00 O ATOM 1557 CB THR A 91 -3.414 47.456 83.201 1.00 0.00 C ATOM 1558 OG1 THR A 91 -2.352 46.508 83.166 1.00 0.00 O ATOM 1559 CG2 THR A 91 -4.075 47.225 84.561 1.00 0.00 C ATOM 0 H THR A 91 -4.447 45.106 82.809 1.00 0.00 H new ATOM 0 HA THR A 91 -5.003 47.872 81.835 1.00 0.00 H new ATOM 0 HB THR A 91 -3.146 48.508 83.102 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.719 46.699 83.889 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.392 47.530 85.354 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.991 47.812 84.625 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.313 46.167 84.675 1.00 0.00 H new ATOM 1567 N GLN A 92 -3.503 45.559 80.323 1.00 0.00 N ATOM 1568 CA GLN A 92 -2.812 45.194 79.098 1.00 0.00 C ATOM 1569 C GLN A 92 -1.526 46.009 78.951 1.00 0.00 C ATOM 1570 O GLN A 92 -1.234 46.526 77.874 1.00 0.00 O ATOM 1571 CB GLN A 92 -3.720 45.378 77.880 1.00 0.00 C ATOM 1572 CG GLN A 92 -4.117 46.846 77.709 1.00 0.00 C ATOM 1573 CD GLN A 92 -4.673 47.103 76.307 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -4.496 46.322 75.388 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -5.354 48.240 76.196 1.00 0.00 N ATOM 0 H GLN A 92 -3.929 44.778 80.822 1.00 0.00 H new ATOM 0 HA GLN A 92 -2.546 44.139 79.155 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.207 45.029 76.984 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.615 44.766 77.993 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.865 47.114 78.456 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.250 47.484 77.883 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.465 48.849 77.006 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -5.766 48.503 75.300 1.00 0.00 H new TER 1584 GLN A 92