USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 466 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 1 GLY N :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 1.2: A 4 THR OG1 : rot 91:sc= 0.0434 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= -0.0866 (180deg=-0.542) USER MOD Single : A 6 GLN : amide:sc= -0.0406 K(o=-0.041,f=-1.5!) USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= -0.115 (180deg=-0.14) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -0.0258 (180deg=-0.466) USER MOD Single : A 14 ASN : amide:sc= -1.51! C(o=-1.5!,f=-8.5!) USER MOD Single : A 16 LYS NZ :NH3+ -139:sc= 0.245 (180deg=-0.468) USER MOD Single : A 18 ASN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -0.205 (180deg=-0.902) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 29 HIS : no HD1:sc= -0.0693 X(o=-0.069,f=-0.52) USER MOD Single : A 31 HIS : no HE2:sc= -4.94! C(o=-4.9!,f=-7.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 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 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.51) USER MOD Single : A 50 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-4.7!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.711 43.403 -22.079 1.00 0.00 N ATOM 2 CA GLY A 1 -36.220 43.548 -23.473 1.00 0.00 C ATOM 3 C GLY A 1 -35.053 43.467 -24.451 1.00 0.00 C ATOM 4 O GLY A 1 -34.520 42.388 -24.709 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.460 43.007 -21.475 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.889 42.766 -22.074 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.428 44.335 -21.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.945 42.764 -23.690 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.737 44.501 -23.585 1.00 0.00 H new ATOM 10 N SER A 2 -34.661 44.616 -24.992 1.00 0.00 N ATOM 11 CA SER A 2 -33.554 44.664 -25.942 1.00 0.00 C ATOM 12 C SER A 2 -32.255 44.225 -25.274 1.00 0.00 C ATOM 13 O SER A 2 -31.322 43.786 -25.940 1.00 0.00 O ATOM 14 CB SER A 2 -33.395 46.083 -26.487 1.00 0.00 C ATOM 15 OG SER A 2 -33.033 46.956 -25.426 1.00 0.00 O ATOM 0 H SER A 2 -35.089 45.520 -24.791 1.00 0.00 H new ATOM 0 HA SER A 2 -33.775 43.982 -26.763 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.632 46.102 -27.265 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.327 46.415 -26.945 1.00 0.00 H new ATOM 0 HG SER A 2 -32.929 47.867 -25.773 1.00 0.00 H new ATOM 21 N LYS A 3 -32.207 44.348 -23.951 1.00 0.00 N ATOM 22 CA LYS A 3 -31.018 43.962 -23.196 1.00 0.00 C ATOM 23 C LYS A 3 -30.841 42.446 -23.207 1.00 0.00 C ATOM 24 O LYS A 3 -29.745 41.938 -22.982 1.00 0.00 O ATOM 25 CB LYS A 3 -31.134 44.455 -21.753 1.00 0.00 C ATOM 26 CG LYS A 3 -31.064 45.983 -21.729 1.00 0.00 C ATOM 27 CD LYS A 3 -31.179 46.479 -20.286 1.00 0.00 C ATOM 28 CE LYS A 3 -31.139 48.008 -20.265 1.00 0.00 C ATOM 29 NZ LYS A 3 -29.824 48.475 -20.789 1.00 0.00 N1+ ATOM 0 H LYS A 3 -32.972 44.710 -23.382 1.00 0.00 H new ATOM 0 HA LYS A 3 -30.148 44.419 -23.667 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.073 44.116 -21.316 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -30.331 44.034 -21.148 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -30.125 46.321 -22.167 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -31.867 46.404 -22.334 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.108 46.123 -19.841 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -30.364 46.075 -19.686 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -31.949 48.413 -20.872 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -31.289 48.373 -19.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.667 49.462 -20.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.065 47.877 -20.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -29.822 48.412 -21.827 1.00 0.00 H new ATOM 43 N THR A 4 -31.931 41.732 -23.460 1.00 0.00 N ATOM 44 CA THR A 4 -31.897 40.272 -23.487 1.00 0.00 C ATOM 45 C THR A 4 -30.962 39.758 -24.580 1.00 0.00 C ATOM 46 O THR A 4 -30.229 38.791 -24.376 1.00 0.00 O ATOM 47 CB THR A 4 -33.307 39.725 -23.726 1.00 0.00 C ATOM 48 OG1 THR A 4 -34.159 40.137 -22.667 1.00 0.00 O ATOM 49 CG2 THR A 4 -33.262 38.197 -23.782 1.00 0.00 C ATOM 0 H THR A 4 -32.848 42.137 -23.649 1.00 0.00 H new ATOM 0 HA THR A 4 -31.522 39.927 -22.524 1.00 0.00 H new ATOM 0 HB THR A 4 -33.690 40.109 -24.671 1.00 0.00 H new ATOM 0 HG1 THR A 4 -34.586 40.987 -22.903 1.00 0.00 H new ATOM 0 HG21 THR A 4 -34.266 37.809 -23.952 1.00 0.00 H new ATOM 0 HG22 THR A 4 -32.609 37.882 -24.596 1.00 0.00 H new ATOM 0 HG23 THR A 4 -32.879 37.809 -22.838 1.00 0.00 H new ATOM 57 N ILE A 5 -31.003 40.398 -25.744 1.00 0.00 N ATOM 58 CA ILE A 5 -30.168 39.982 -26.868 1.00 0.00 C ATOM 59 C ILE A 5 -28.703 39.835 -26.439 1.00 0.00 C ATOM 60 O ILE A 5 -27.908 39.199 -27.131 1.00 0.00 O ATOM 61 CB ILE A 5 -30.292 40.998 -28.019 1.00 0.00 C ATOM 62 CG1 ILE A 5 -29.836 40.352 -29.340 1.00 0.00 C ATOM 63 CG2 ILE A 5 -29.425 42.233 -27.736 1.00 0.00 C ATOM 64 CD1 ILE A 5 -30.833 39.272 -29.799 1.00 0.00 C ATOM 0 H ILE A 5 -31.601 41.202 -25.934 1.00 0.00 H new ATOM 0 HA ILE A 5 -30.516 39.009 -27.214 1.00 0.00 H new ATOM 0 HB ILE A 5 -31.335 41.303 -28.101 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -29.743 41.118 -30.110 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -28.849 39.909 -29.211 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -29.523 42.942 -28.558 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -29.754 42.704 -26.809 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -28.382 41.931 -27.639 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -30.487 38.832 -30.734 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -30.905 38.496 -29.037 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -31.814 39.723 -29.951 1.00 0.00 H new ATOM 76 N GLN A 6 -28.359 40.423 -25.297 1.00 0.00 N ATOM 77 CA GLN A 6 -26.991 40.344 -24.789 1.00 0.00 C ATOM 78 C GLN A 6 -26.614 38.900 -24.480 1.00 0.00 C ATOM 79 O GLN A 6 -25.478 38.480 -24.707 1.00 0.00 O ATOM 80 CB GLN A 6 -26.829 41.194 -23.524 1.00 0.00 C ATOM 81 CG GLN A 6 -26.884 42.685 -23.884 1.00 0.00 C ATOM 82 CD GLN A 6 -26.936 43.524 -22.611 1.00 0.00 C ATOM 83 OE1 GLN A 6 -27.451 43.071 -21.588 1.00 0.00 O ATOM 84 NE2 GLN A 6 -26.431 44.727 -22.612 1.00 0.00 N ATOM 0 H GLN A 6 -29.001 40.955 -24.710 1.00 0.00 H new ATOM 0 HA GLN A 6 -26.328 40.729 -25.563 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -27.618 40.954 -22.811 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -25.880 40.963 -23.039 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -26.010 42.958 -24.475 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -27.760 42.887 -24.500 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -26.005 45.101 -23.460 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -26.462 45.294 -21.765 1.00 0.00 H new ATOM 93 N GLU A 7 -27.573 38.142 -23.960 1.00 0.00 N ATOM 94 CA GLU A 7 -27.331 36.744 -23.617 1.00 0.00 C ATOM 95 C GLU A 7 -26.943 35.941 -24.854 1.00 0.00 C ATOM 96 O GLU A 7 -26.085 35.060 -24.788 1.00 0.00 O ATOM 97 CB GLU A 7 -28.576 36.126 -22.972 1.00 0.00 C ATOM 98 CG GLU A 7 -28.768 36.683 -21.558 1.00 0.00 C ATOM 99 CD GLU A 7 -30.111 36.226 -20.996 1.00 0.00 C ATOM 100 OE1 GLU A 7 -30.919 35.743 -21.770 1.00 0.00 O ATOM 101 OE2 GLU A 7 -30.309 36.368 -19.800 1.00 0.00 O1- ATOM 0 H GLU A 7 -28.520 38.469 -23.767 1.00 0.00 H new ATOM 0 HA GLU A 7 -26.506 36.712 -22.905 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -29.455 36.343 -23.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -28.475 35.041 -22.933 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -27.959 36.343 -20.911 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -28.724 37.772 -21.578 1.00 0.00 H new ATOM 108 N LYS A 8 -27.576 36.243 -25.984 1.00 0.00 N ATOM 109 CA LYS A 8 -27.276 35.532 -27.223 1.00 0.00 C ATOM 110 C LYS A 8 -25.806 35.702 -27.590 1.00 0.00 C ATOM 111 O LYS A 8 -25.141 34.745 -27.986 1.00 0.00 O ATOM 112 CB LYS A 8 -28.149 36.066 -28.362 1.00 0.00 C ATOM 113 CG LYS A 8 -27.856 35.270 -29.641 1.00 0.00 C ATOM 114 CD LYS A 8 -28.838 35.663 -30.752 1.00 0.00 C ATOM 115 CE LYS A 8 -28.457 37.026 -31.341 1.00 0.00 C ATOM 116 NZ LYS A 8 -29.328 37.318 -32.514 1.00 0.00 N1+ ATOM 0 H LYS A 8 -28.291 36.966 -26.068 1.00 0.00 H new ATOM 0 HA LYS A 8 -27.487 34.473 -27.071 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -29.203 35.979 -28.099 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.947 37.125 -28.525 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -26.833 35.458 -29.968 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.935 34.202 -29.438 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -28.832 34.906 -31.536 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.852 35.702 -30.354 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.570 37.805 -30.587 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -27.410 37.024 -31.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -29.106 38.264 -32.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -29.161 36.608 -33.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -30.326 37.286 -32.222 1.00 0.00 H new ATOM 130 N GLU A 9 -25.305 36.927 -27.457 1.00 0.00 N ATOM 131 CA GLU A 9 -23.911 37.208 -27.779 1.00 0.00 C ATOM 132 C GLU A 9 -22.983 36.393 -26.884 1.00 0.00 C ATOM 133 O GLU A 9 -21.981 35.847 -27.344 1.00 0.00 O ATOM 134 CB GLU A 9 -23.626 38.702 -27.596 1.00 0.00 C ATOM 135 CG GLU A 9 -22.179 39.008 -27.993 1.00 0.00 C ATOM 136 CD GLU A 9 -21.915 40.505 -27.879 1.00 0.00 C ATOM 137 OE1 GLU A 9 -22.830 41.223 -27.511 1.00 0.00 O ATOM 138 OE2 GLU A 9 -20.800 40.914 -28.163 1.00 0.00 O1- ATOM 0 H GLU A 9 -25.838 37.733 -27.132 1.00 0.00 H new ATOM 0 HA GLU A 9 -23.730 36.930 -28.817 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -24.312 39.290 -28.206 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -23.796 38.989 -26.558 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -21.492 38.459 -27.349 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -21.995 38.674 -29.014 1.00 0.00 H new ATOM 145 N GLN A 10 -23.323 36.315 -25.601 1.00 0.00 N ATOM 146 CA GLN A 10 -22.514 35.564 -24.649 1.00 0.00 C ATOM 147 C GLN A 10 -22.471 34.087 -25.034 1.00 0.00 C ATOM 148 O GLN A 10 -21.426 33.442 -24.937 1.00 0.00 O ATOM 149 CB GLN A 10 -23.093 35.711 -23.241 1.00 0.00 C ATOM 150 CG GLN A 10 -22.177 35.012 -22.233 1.00 0.00 C ATOM 151 CD GLN A 10 -22.702 35.225 -20.817 1.00 0.00 C ATOM 152 OE1 GLN A 10 -23.692 35.930 -20.620 1.00 0.00 O ATOM 153 NE2 GLN A 10 -22.095 34.655 -19.814 1.00 0.00 N ATOM 0 H GLN A 10 -24.148 36.760 -25.199 1.00 0.00 H new ATOM 0 HA GLN A 10 -21.500 35.963 -24.666 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -23.193 36.766 -22.986 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -24.092 35.278 -23.201 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -22.125 33.946 -22.454 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -21.164 35.404 -22.317 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -21.275 34.071 -19.979 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -22.440 34.793 -18.864 1.00 0.00 H new ATOM 162 N GLU A 11 -23.611 33.559 -25.465 1.00 0.00 N ATOM 163 CA GLU A 11 -23.692 32.157 -25.857 1.00 0.00 C ATOM 164 C GLU A 11 -22.779 31.874 -27.047 1.00 0.00 C ATOM 165 O GLU A 11 -22.132 30.828 -27.107 1.00 0.00 O ATOM 166 CB GLU A 11 -25.134 31.802 -26.226 1.00 0.00 C ATOM 167 CG GLU A 11 -25.997 31.796 -24.961 1.00 0.00 C ATOM 168 CD GLU A 11 -27.465 31.613 -25.333 1.00 0.00 C ATOM 169 OE1 GLU A 11 -27.776 31.723 -26.508 1.00 0.00 O ATOM 170 OE2 GLU A 11 -28.255 31.366 -24.438 1.00 0.00 O1- ATOM 0 H GLU A 11 -24.486 34.076 -25.551 1.00 0.00 H new ATOM 0 HA GLU A 11 -23.368 31.547 -25.014 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -25.526 32.524 -26.943 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -25.168 30.824 -26.707 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -25.678 30.992 -24.297 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -25.865 32.731 -24.416 1.00 0.00 H new ATOM 177 N LEU A 12 -22.730 32.811 -27.992 1.00 0.00 N ATOM 178 CA LEU A 12 -21.891 32.656 -29.182 1.00 0.00 C ATOM 179 C LEU A 12 -20.597 33.452 -29.019 1.00 0.00 C ATOM 180 O LEU A 12 -20.623 34.675 -28.885 1.00 0.00 O ATOM 181 CB LEU A 12 -22.659 33.160 -30.413 1.00 0.00 C ATOM 182 CG LEU A 12 -21.805 33.026 -31.685 1.00 0.00 C ATOM 183 CD1 LEU A 12 -21.454 31.550 -31.938 1.00 0.00 C ATOM 184 CD2 LEU A 12 -22.601 33.576 -32.874 1.00 0.00 C ATOM 0 H LEU A 12 -23.259 33.683 -27.959 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.642 31.603 -29.312 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -23.582 32.592 -30.528 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.942 34.203 -30.268 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.879 33.588 -31.561 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.849 31.469 -32.841 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.893 31.159 -31.089 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.371 30.974 -32.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.006 33.487 -33.783 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -23.524 33.008 -32.988 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -22.840 34.625 -32.698 1.00 0.00 H new ATOM 196 N LYS A 13 -19.468 32.750 -29.036 1.00 0.00 N ATOM 197 CA LYS A 13 -18.170 33.402 -28.891 1.00 0.00 C ATOM 198 C LYS A 13 -17.062 32.530 -29.476 1.00 0.00 C ATOM 199 O LYS A 13 -17.181 31.305 -29.517 1.00 0.00 O ATOM 200 CB LYS A 13 -17.891 33.685 -27.410 1.00 0.00 C ATOM 201 CG LYS A 13 -17.816 32.368 -26.630 1.00 0.00 C ATOM 202 CD LYS A 13 -17.612 32.666 -25.144 1.00 0.00 C ATOM 203 CE LYS A 13 -17.449 31.354 -24.377 1.00 0.00 C ATOM 204 NZ LYS A 13 -18.692 30.543 -24.509 1.00 0.00 N1+ ATOM 0 H LYS A 13 -19.425 31.737 -29.148 1.00 0.00 H new ATOM 0 HA LYS A 13 -18.191 34.345 -29.438 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.954 34.233 -27.306 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.677 34.317 -26.998 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.732 31.795 -26.774 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.995 31.757 -27.005 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.730 33.292 -25.006 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.463 33.224 -24.754 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.596 30.797 -24.765 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.245 31.558 -23.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.713 29.816 -23.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.522 31.162 -24.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.710 30.084 -25.442 1.00 0.00 H new ATOM 218 N ASN A 14 -15.982 33.168 -29.929 1.00 0.00 N ATOM 219 CA ASN A 14 -14.852 32.442 -30.512 1.00 0.00 C ATOM 220 C ASN A 14 -13.744 32.242 -29.483 1.00 0.00 C ATOM 221 O ASN A 14 -12.666 31.747 -29.809 1.00 0.00 O ATOM 222 CB ASN A 14 -14.303 33.219 -31.712 1.00 0.00 C ATOM 223 CG ASN A 14 -13.709 34.547 -31.253 1.00 0.00 C ATOM 224 OD1 ASN A 14 -13.562 34.785 -30.054 1.00 0.00 O ATOM 225 ND2 ASN A 14 -13.354 35.434 -32.143 1.00 0.00 N ATOM 0 H ASN A 14 -15.866 34.181 -29.904 1.00 0.00 H new ATOM 0 HA ASN A 14 -15.204 31.463 -30.837 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.541 32.628 -32.220 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -15.100 33.399 -32.434 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.955 36.324 -31.845 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.476 35.237 -33.136 1.00 0.00 H new ATOM 232 N LEU A 15 -14.017 32.624 -28.240 1.00 0.00 N ATOM 233 CA LEU A 15 -13.030 32.472 -27.174 1.00 0.00 C ATOM 234 C LEU A 15 -12.740 30.996 -26.925 1.00 0.00 C ATOM 235 O LEU A 15 -11.597 30.610 -26.681 1.00 0.00 O ATOM 236 CB LEU A 15 -13.526 33.128 -25.880 1.00 0.00 C ATOM 237 CG LEU A 15 -13.529 34.663 -26.016 1.00 0.00 C ATOM 238 CD1 LEU A 15 -14.245 35.271 -24.804 1.00 0.00 C ATOM 239 CD2 LEU A 15 -12.083 35.202 -26.089 1.00 0.00 C ATOM 0 H LEU A 15 -14.902 33.037 -27.947 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.112 32.967 -27.489 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -14.532 32.776 -25.650 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -12.887 32.833 -25.048 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.049 34.940 -26.933 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.251 36.357 -24.892 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.271 34.904 -24.765 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.723 34.984 -23.891 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.104 36.288 -26.185 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.546 34.928 -25.181 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.577 34.771 -26.953 1.00 0.00 H new ATOM 251 N LYS A 16 -13.784 30.175 -26.981 1.00 0.00 N ATOM 252 CA LYS A 16 -13.630 28.743 -26.754 1.00 0.00 C ATOM 253 C LYS A 16 -12.438 28.199 -27.537 1.00 0.00 C ATOM 254 O LYS A 16 -12.077 28.732 -28.585 1.00 0.00 O ATOM 255 CB LYS A 16 -14.911 28.001 -27.165 1.00 0.00 C ATOM 256 CG LYS A 16 -15.099 28.049 -28.688 1.00 0.00 C ATOM 257 CD LYS A 16 -16.425 27.382 -29.054 1.00 0.00 C ATOM 258 CE LYS A 16 -16.571 27.342 -30.575 1.00 0.00 C ATOM 259 NZ LYS A 16 -16.602 28.735 -31.108 1.00 0.00 N1+ ATOM 0 H LYS A 16 -14.739 30.474 -27.180 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.450 28.581 -25.691 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.860 26.964 -26.832 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.773 28.452 -26.673 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.090 29.082 -29.035 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.273 27.539 -29.184 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.461 26.371 -28.648 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.256 27.933 -28.612 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.741 26.791 -31.016 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -17.485 26.816 -30.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -17.319 28.804 -31.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.840 29.395 -30.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.669 28.978 -31.498 1.00 0.00 H new ATOM 273 N ASP A 17 -11.832 27.137 -27.019 1.00 0.00 N ATOM 274 CA ASP A 17 -10.682 26.530 -27.677 1.00 0.00 C ATOM 275 C ASP A 17 -11.074 25.989 -29.049 1.00 0.00 C ATOM 276 O ASP A 17 -12.179 25.479 -29.234 1.00 0.00 O ATOM 277 CB ASP A 17 -10.128 25.391 -26.817 1.00 0.00 C ATOM 278 CG ASP A 17 -9.435 25.959 -25.583 1.00 0.00 C ATOM 279 OD1 ASP A 17 -9.194 27.155 -25.561 1.00 0.00 O ATOM 280 OD2 ASP A 17 -9.154 25.189 -24.679 1.00 0.00 O1- ATOM 0 H ASP A 17 -12.115 26.681 -26.152 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.915 27.294 -27.805 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.937 24.725 -26.516 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.424 24.795 -27.398 1.00 0.00 H new ATOM 285 N ASN A 18 -10.157 26.104 -30.009 1.00 0.00 N ATOM 286 CA ASN A 18 -10.410 25.625 -31.367 1.00 0.00 C ATOM 287 C ASN A 18 -9.892 24.200 -31.537 1.00 0.00 C ATOM 288 O ASN A 18 -9.966 23.626 -32.623 1.00 0.00 O ATOM 289 CB ASN A 18 -9.716 26.541 -32.378 1.00 0.00 C ATOM 290 CG ASN A 18 -10.264 27.959 -32.257 1.00 0.00 C ATOM 291 OD1 ASN A 18 -9.511 28.894 -31.983 1.00 0.00 O ATOM 292 ND2 ASN A 18 -11.536 28.176 -32.447 1.00 0.00 N ATOM 0 H ASN A 18 -9.237 26.522 -29.873 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.486 25.634 -31.542 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.640 26.542 -32.202 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.874 26.166 -33.389 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.909 29.122 -32.369 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.157 27.400 -32.674 1.00 0.00 H new ATOM 299 N VAL A 19 -9.367 23.635 -30.454 1.00 0.00 N ATOM 300 CA VAL A 19 -8.840 22.276 -30.493 1.00 0.00 C ATOM 301 C VAL A 19 -9.948 21.289 -30.851 1.00 0.00 C ATOM 302 O VAL A 19 -9.756 20.398 -31.678 1.00 0.00 O ATOM 303 CB VAL A 19 -8.238 21.913 -29.129 1.00 0.00 C ATOM 304 CG1 VAL A 19 -7.875 20.425 -29.096 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.975 22.747 -28.896 1.00 0.00 C ATOM 0 H VAL A 19 -9.296 24.093 -29.546 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.062 22.221 -31.255 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.969 22.121 -28.348 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.448 20.176 -28.124 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.772 19.828 -29.262 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.146 20.211 -29.878 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.544 22.492 -27.928 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.250 22.537 -29.682 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.231 23.806 -28.912 1.00 0.00 H new ATOM 315 N GLU A 20 -11.108 21.455 -30.222 1.00 0.00 N ATOM 316 CA GLU A 20 -12.240 20.573 -30.483 1.00 0.00 C ATOM 317 C GLU A 20 -12.665 20.673 -31.944 1.00 0.00 C ATOM 318 O GLU A 20 -12.952 19.664 -32.587 1.00 0.00 O ATOM 319 CB GLU A 20 -13.413 20.949 -29.574 1.00 0.00 C ATOM 320 CG GLU A 20 -14.579 19.983 -29.804 1.00 0.00 C ATOM 321 CD GLU A 20 -15.722 20.310 -28.850 1.00 0.00 C ATOM 322 OE1 GLU A 20 -15.573 21.239 -28.073 1.00 0.00 O ATOM 323 OE2 GLU A 20 -16.731 19.627 -28.909 1.00 0.00 O1- ATOM 0 H GLU A 20 -11.288 22.186 -29.534 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.939 19.546 -30.275 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.101 20.915 -28.530 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.730 21.972 -29.779 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.923 20.055 -30.836 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.247 18.956 -29.649 1.00 0.00 H new ATOM 330 N LEU A 21 -12.696 21.896 -32.463 1.00 0.00 N ATOM 331 CA LEU A 21 -13.082 22.113 -33.855 1.00 0.00 C ATOM 332 C LEU A 21 -12.081 21.446 -34.792 1.00 0.00 C ATOM 333 O LEU A 21 -12.459 20.865 -35.809 1.00 0.00 O ATOM 334 CB LEU A 21 -13.154 23.615 -34.165 1.00 0.00 C ATOM 335 CG LEU A 21 -14.360 24.259 -33.457 1.00 0.00 C ATOM 336 CD1 LEU A 21 -14.257 25.782 -33.593 1.00 0.00 C ATOM 337 CD2 LEU A 21 -15.682 23.772 -34.088 1.00 0.00 C ATOM 0 H LEU A 21 -12.461 22.745 -31.948 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.066 21.671 -34.009 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.234 24.102 -33.843 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.235 23.766 -35.241 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.354 23.973 -32.405 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.106 26.250 -33.095 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.331 26.127 -33.132 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.260 26.054 -34.648 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.523 24.238 -33.575 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.704 24.045 -35.143 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.753 22.689 -33.992 1.00 0.00 H new ATOM 349 N GLU A 22 -10.801 21.535 -34.442 1.00 0.00 N ATOM 350 CA GLU A 22 -9.753 20.936 -35.260 1.00 0.00 C ATOM 351 C GLU A 22 -9.936 19.423 -35.340 1.00 0.00 C ATOM 352 O GLU A 22 -9.769 18.824 -36.401 1.00 0.00 O ATOM 353 CB GLU A 22 -8.379 21.258 -34.663 1.00 0.00 C ATOM 354 CG GLU A 22 -7.269 20.754 -35.597 1.00 0.00 C ATOM 355 CD GLU A 22 -7.064 19.249 -35.424 1.00 0.00 C ATOM 356 OE1 GLU A 22 -7.334 18.751 -34.344 1.00 0.00 O ATOM 357 OE2 GLU A 22 -6.640 18.618 -36.377 1.00 0.00 O1- ATOM 0 H GLU A 22 -10.467 22.012 -33.605 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.818 21.351 -36.266 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.281 22.333 -34.515 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.281 20.791 -33.683 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.529 20.975 -36.632 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.339 21.280 -35.383 1.00 0.00 H new ATOM 364 N ARG A 23 -10.280 18.813 -34.210 1.00 0.00 N ATOM 365 CA ARG A 23 -10.484 17.370 -34.163 1.00 0.00 C ATOM 366 C ARG A 23 -11.609 16.962 -35.110 1.00 0.00 C ATOM 367 O ARG A 23 -11.489 15.982 -35.846 1.00 0.00 O ATOM 368 CB ARG A 23 -10.826 16.939 -32.734 1.00 0.00 C ATOM 369 CG ARG A 23 -10.995 15.417 -32.677 1.00 0.00 C ATOM 370 CD ARG A 23 -11.256 14.989 -31.233 1.00 0.00 C ATOM 371 NE ARG A 23 -12.508 15.568 -30.754 1.00 0.00 N ATOM 372 CZ ARG A 23 -13.679 15.010 -31.045 1.00 0.00 C ATOM 373 NH1 ARG A 23 -14.785 15.547 -30.604 1.00 0.00 N1+ ATOM 374 NH2 ARG A 23 -13.724 13.926 -31.770 1.00 0.00 N ATOM 0 H ARG A 23 -10.422 19.292 -33.321 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.565 16.876 -34.477 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.036 17.252 -32.051 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.743 17.428 -32.406 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.823 15.108 -33.315 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.099 14.926 -33.057 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.302 13.902 -31.171 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.431 15.310 -30.596 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.484 16.415 -30.186 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.750 16.394 -30.037 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.684 15.119 -30.827 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.860 13.506 -32.114 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.623 13.498 -31.993 1.00 0.00 H new ATOM 388 N LEU A 24 -12.700 17.719 -35.085 1.00 0.00 N ATOM 389 CA LEU A 24 -13.841 17.425 -35.946 1.00 0.00 C ATOM 390 C LEU A 24 -13.432 17.509 -37.413 1.00 0.00 C ATOM 391 O LEU A 24 -13.786 16.647 -38.217 1.00 0.00 O ATOM 392 CB LEU A 24 -14.976 18.418 -35.656 1.00 0.00 C ATOM 393 CG LEU A 24 -16.185 18.138 -36.562 1.00 0.00 C ATOM 394 CD1 LEU A 24 -16.717 16.716 -36.317 1.00 0.00 C ATOM 395 CD2 LEU A 24 -17.285 19.158 -36.248 1.00 0.00 C ATOM 0 H LEU A 24 -12.819 18.534 -34.484 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.189 16.413 -35.741 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.274 18.343 -34.610 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.624 19.437 -35.815 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.882 18.222 -37.606 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -17.573 16.531 -36.965 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.933 15.991 -36.536 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -17.022 16.616 -35.275 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -18.149 18.969 -36.885 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -17.579 19.066 -35.202 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.911 20.165 -36.433 1.00 0.00 H new ATOM 407 N LYS A 25 -12.683 18.554 -37.755 1.00 0.00 N ATOM 408 CA LYS A 25 -12.231 18.738 -39.128 1.00 0.00 C ATOM 409 C LYS A 25 -11.159 17.712 -39.483 1.00 0.00 C ATOM 410 O LYS A 25 -10.336 17.345 -38.643 1.00 0.00 O ATOM 411 CB LYS A 25 -11.667 20.149 -39.308 1.00 0.00 C ATOM 412 CG LYS A 25 -12.804 21.170 -39.176 1.00 0.00 C ATOM 413 CD LYS A 25 -12.244 22.598 -39.079 1.00 0.00 C ATOM 414 CE LYS A 25 -11.713 23.062 -40.440 1.00 0.00 C ATOM 415 NZ LYS A 25 -12.815 23.031 -41.441 1.00 0.00 N1+ ATOM 0 H LYS A 25 -12.379 19.280 -37.106 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.084 18.600 -39.792 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.899 20.344 -38.560 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.192 20.241 -40.284 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.470 21.093 -40.035 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.399 20.947 -38.290 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.024 23.278 -38.736 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.444 22.631 -38.340 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.309 24.071 -40.360 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.896 22.416 -40.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.602 23.695 -42.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.907 22.069 -41.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.707 23.307 -40.984 1.00 0.00 H new ATOM 429 N ASN A 26 -11.175 17.252 -40.728 1.00 0.00 N ATOM 430 CA ASN A 26 -10.198 16.269 -41.181 1.00 0.00 C ATOM 431 C ASN A 26 -10.192 15.056 -40.255 1.00 0.00 C ATOM 432 O ASN A 26 -9.133 14.515 -39.933 1.00 0.00 O ATOM 433 CB ASN A 26 -8.802 16.894 -41.216 1.00 0.00 C ATOM 434 CG ASN A 26 -8.784 18.074 -42.181 1.00 0.00 C ATOM 435 OD1 ASN A 26 -9.352 17.996 -43.270 1.00 0.00 O ATOM 436 ND2 ASN A 26 -8.162 19.170 -41.843 1.00 0.00 N ATOM 0 H ASN A 26 -11.848 17.541 -41.438 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.474 15.946 -42.185 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -8.518 17.226 -40.217 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.069 16.149 -41.525 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.146 19.965 -42.482 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.692 19.232 -40.940 1.00 0.00 H new ATOM 443 N GLU A 27 -11.378 14.635 -39.831 1.00 0.00 N ATOM 444 CA GLU A 27 -11.498 13.485 -38.942 1.00 0.00 C ATOM 445 C GLU A 27 -11.050 12.208 -39.650 1.00 0.00 C ATOM 446 O GLU A 27 -11.137 12.103 -40.873 1.00 0.00 O ATOM 447 CB GLU A 27 -12.947 13.336 -38.471 1.00 0.00 C ATOM 448 CG GLU A 27 -13.860 13.077 -39.673 1.00 0.00 C ATOM 449 CD GLU A 27 -15.316 13.036 -39.221 1.00 0.00 C ATOM 450 OE1 GLU A 27 -15.552 13.201 -38.036 1.00 0.00 O ATOM 451 OE2 GLU A 27 -16.171 12.837 -40.067 1.00 0.00 O1- ATOM 0 H GLU A 27 -12.265 15.069 -40.086 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.854 13.649 -38.078 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.025 12.514 -37.760 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.264 14.239 -37.950 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.724 13.860 -40.419 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.591 12.134 -40.148 1.00 0.00 H new ATOM 458 N ARG A 28 -10.570 11.242 -38.872 1.00 0.00 N ATOM 459 CA ARG A 28 -10.110 9.974 -39.432 1.00 0.00 C ATOM 460 C ARG A 28 -10.203 8.863 -38.392 1.00 0.00 C ATOM 461 O ARG A 28 -10.283 9.128 -37.192 1.00 0.00 O ATOM 462 CB ARG A 28 -8.664 10.111 -39.910 1.00 0.00 C ATOM 463 CG ARG A 28 -7.754 10.395 -38.712 1.00 0.00 C ATOM 464 CD ARG A 28 -6.357 10.769 -39.209 1.00 0.00 C ATOM 465 NE ARG A 28 -5.759 9.648 -39.929 1.00 0.00 N ATOM 466 CZ ARG A 28 -5.080 8.699 -39.292 1.00 0.00 C ATOM 467 NH1 ARG A 28 -4.554 7.711 -39.963 1.00 0.00 N1+ ATOM 468 NH2 ARG A 28 -4.940 8.753 -37.995 1.00 0.00 N ATOM 0 H ARG A 28 -10.489 11.312 -37.858 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.749 9.717 -40.277 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.348 9.196 -40.412 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.586 10.918 -40.639 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.167 11.206 -38.112 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.699 9.518 -38.067 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.417 11.639 -39.862 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.725 11.047 -38.365 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.865 9.592 -40.942 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.664 7.667 -40.976 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.033 6.983 -39.474 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.352 9.524 -37.469 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.419 8.024 -37.508 1.00 0.00 H new ATOM 482 N HIS A 29 -10.190 7.618 -38.859 1.00 0.00 N ATOM 483 CA HIS A 29 -10.270 6.469 -37.962 1.00 0.00 C ATOM 484 C HIS A 29 -9.664 5.235 -38.622 1.00 0.00 C ATOM 485 O HIS A 29 -9.485 5.196 -39.840 1.00 0.00 O ATOM 486 CB HIS A 29 -11.732 6.193 -37.602 1.00 0.00 C ATOM 487 CG HIS A 29 -12.488 5.799 -38.843 1.00 0.00 C ATOM 488 ND1 HIS A 29 -12.911 6.732 -39.776 1.00 0.00 N ATOM 489 CD2 HIS A 29 -12.903 4.579 -39.315 1.00 0.00 C ATOM 490 CE1 HIS A 29 -13.551 6.064 -40.754 1.00 0.00 C ATOM 491 NE2 HIS A 29 -13.573 4.750 -40.523 1.00 0.00 N ATOM 0 H HIS A 29 -10.125 7.379 -39.849 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.709 6.695 -37.055 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.791 5.397 -36.859 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -12.182 7.080 -37.155 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.735 3.632 -38.824 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.993 6.534 -41.620 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.991 4.026 -41.107 1.00 0.00 H new ATOM 499 N ASP A 30 -9.348 4.224 -37.813 1.00 0.00 N ATOM 500 CA ASP A 30 -8.761 2.988 -38.328 1.00 0.00 C ATOM 501 C ASP A 30 -9.214 1.790 -37.499 1.00 0.00 C ATOM 502 O ASP A 30 -9.569 0.745 -38.044 1.00 0.00 O ATOM 503 CB ASP A 30 -7.235 3.084 -38.295 1.00 0.00 C ATOM 504 CG ASP A 30 -6.620 1.808 -38.862 1.00 0.00 C ATOM 505 OD1 ASP A 30 -7.369 0.887 -39.143 1.00 0.00 O ATOM 506 OD2 ASP A 30 -5.409 1.771 -39.007 1.00 0.00 O1- ATOM 0 H ASP A 30 -9.488 4.236 -36.803 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.097 2.850 -39.356 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.904 3.946 -38.874 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.894 3.238 -37.271 1.00 0.00 H new ATOM 511 N HIS A 31 -9.197 1.947 -36.176 1.00 0.00 N ATOM 512 CA HIS A 31 -9.606 0.868 -35.277 1.00 0.00 C ATOM 513 C HIS A 31 -10.207 1.440 -33.996 1.00 0.00 C ATOM 514 O HIS A 31 -10.085 0.850 -32.923 1.00 0.00 O ATOM 515 CB HIS A 31 -8.393 -0.003 -34.934 1.00 0.00 C ATOM 516 CG HIS A 31 -8.850 -1.296 -34.312 1.00 0.00 C ATOM 517 ND1 HIS A 31 -9.191 -1.393 -32.972 1.00 0.00 N ATOM 518 CD2 HIS A 31 -9.023 -2.554 -34.834 1.00 0.00 C ATOM 519 CE1 HIS A 31 -9.548 -2.668 -32.735 1.00 0.00 C ATOM 520 NE2 HIS A 31 -9.463 -3.419 -33.837 1.00 0.00 N ATOM 0 H HIS A 31 -8.907 2.804 -35.705 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.361 0.262 -35.777 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.815 -0.207 -35.835 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.735 0.529 -34.247 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -9.174 -0.635 -32.290 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -8.845 -2.830 -35.863 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.865 -3.039 -31.772 1.00 0.00 H new ATOM 528 N ASP A 32 -10.857 2.597 -34.116 1.00 0.00 N ATOM 529 CA ASP A 32 -11.476 3.247 -32.960 1.00 0.00 C ATOM 530 C ASP A 32 -12.922 2.788 -32.794 1.00 0.00 C ATOM 531 O ASP A 32 -13.650 3.296 -31.940 1.00 0.00 O ATOM 532 CB ASP A 32 -11.442 4.766 -33.140 1.00 0.00 C ATOM 533 CG ASP A 32 -12.302 5.174 -34.332 1.00 0.00 C ATOM 534 OD1 ASP A 32 -12.896 4.297 -34.936 1.00 0.00 O ATOM 535 OD2 ASP A 32 -12.355 6.357 -34.621 1.00 0.00 O1- ATOM 0 H ASP A 32 -10.969 3.101 -34.996 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.915 2.970 -32.068 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.805 5.255 -32.236 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.415 5.099 -33.292 1.00 0.00 H new ATOM 540 N GLU A 33 -13.334 1.829 -33.616 1.00 0.00 N ATOM 541 CA GLU A 33 -14.699 1.313 -33.550 1.00 0.00 C ATOM 542 C GLU A 33 -14.963 0.683 -32.185 1.00 0.00 C ATOM 543 O GLU A 33 -16.019 0.891 -31.590 1.00 0.00 O ATOM 544 CB GLU A 33 -14.912 0.271 -34.651 1.00 0.00 C ATOM 545 CG GLU A 33 -16.361 -0.223 -34.626 1.00 0.00 C ATOM 546 CD GLU A 33 -16.593 -1.215 -35.762 1.00 0.00 C ATOM 547 OE1 GLU A 33 -15.656 -1.472 -36.497 1.00 0.00 O ATOM 548 OE2 GLU A 33 -17.706 -1.700 -35.880 1.00 0.00 O1- ATOM 0 H GLU A 33 -12.749 1.395 -34.330 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.394 2.140 -33.695 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.683 0.705 -35.624 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.230 -0.567 -34.508 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.576 -0.697 -33.668 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.044 0.621 -34.724 1.00 0.00 H new ATOM 555 N GLU A 34 -13.994 -0.082 -31.696 1.00 0.00 N ATOM 556 CA GLU A 34 -14.121 -0.741 -30.399 1.00 0.00 C ATOM 557 C GLU A 34 -14.244 0.291 -29.281 1.00 0.00 C ATOM 558 O GLU A 34 -14.977 0.088 -28.313 1.00 0.00 O ATOM 559 CB GLU A 34 -12.900 -1.631 -30.140 1.00 0.00 C ATOM 560 CG GLU A 34 -12.913 -2.840 -31.087 1.00 0.00 C ATOM 561 CD GLU A 34 -12.403 -2.442 -32.470 1.00 0.00 C ATOM 562 OE1 GLU A 34 -11.977 -1.310 -32.622 1.00 0.00 O ATOM 563 OE2 GLU A 34 -12.445 -3.278 -33.357 1.00 0.00 O1- ATOM 0 H GLU A 34 -13.112 -0.262 -32.176 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.022 -1.354 -30.414 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.985 -1.056 -30.285 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.902 -1.971 -29.104 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.290 -3.636 -30.679 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.925 -3.236 -31.166 1.00 0.00 H new ATOM 570 N ALA A 35 -13.514 1.391 -29.419 1.00 0.00 N ATOM 571 CA ALA A 35 -13.534 2.447 -28.415 1.00 0.00 C ATOM 572 C ALA A 35 -14.942 3.009 -28.236 1.00 0.00 C ATOM 573 O ALA A 35 -15.349 3.338 -27.121 1.00 0.00 O ATOM 574 CB ALA A 35 -12.585 3.574 -28.827 1.00 0.00 C ATOM 0 H ALA A 35 -12.902 1.575 -30.214 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.209 2.018 -27.467 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.605 4.360 -28.072 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.572 3.182 -28.916 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.902 3.984 -29.786 1.00 0.00 H new ATOM 580 N GLU A 36 -15.681 3.127 -29.335 1.00 0.00 N ATOM 581 CA GLU A 36 -17.037 3.664 -29.272 1.00 0.00 C ATOM 582 C GLU A 36 -17.912 2.810 -28.356 1.00 0.00 C ATOM 583 O GLU A 36 -18.668 3.338 -27.542 1.00 0.00 O ATOM 584 CB GLU A 36 -17.643 3.708 -30.677 1.00 0.00 C ATOM 585 CG GLU A 36 -19.044 4.323 -30.620 1.00 0.00 C ATOM 586 CD GLU A 36 -19.620 4.438 -32.027 1.00 0.00 C ATOM 587 OE1 GLU A 36 -18.936 4.048 -32.960 1.00 0.00 O ATOM 588 OE2 GLU A 36 -20.736 4.915 -32.154 1.00 0.00 O1- ATOM 0 H GLU A 36 -15.369 2.862 -30.269 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.992 4.674 -28.865 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.006 4.294 -31.339 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.695 2.701 -31.092 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -19.696 3.707 -30.000 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.999 5.308 -30.155 1.00 0.00 H new ATOM 595 N ARG A 37 -17.804 1.491 -28.486 1.00 0.00 N ATOM 596 CA ARG A 37 -18.594 0.589 -27.650 1.00 0.00 C ATOM 597 C ARG A 37 -18.232 0.780 -26.178 1.00 0.00 C ATOM 598 O ARG A 37 -19.103 0.756 -25.308 1.00 0.00 O ATOM 599 CB ARG A 37 -18.350 -0.873 -28.063 1.00 0.00 C ATOM 600 CG ARG A 37 -19.195 -1.224 -29.295 1.00 0.00 C ATOM 601 CD ARG A 37 -18.748 -0.377 -30.487 1.00 0.00 C ATOM 602 NE ARG A 37 -19.334 -0.895 -31.718 1.00 0.00 N ATOM 603 CZ ARG A 37 -19.212 -0.238 -32.866 1.00 0.00 C ATOM 604 NH1 ARG A 37 -19.744 -0.722 -33.955 1.00 0.00 N1+ ATOM 605 NH2 ARG A 37 -18.561 0.892 -32.905 1.00 0.00 N ATOM 0 H ARG A 37 -17.187 1.027 -29.152 1.00 0.00 H new ATOM 0 HA ARG A 37 -19.649 0.824 -27.789 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.293 -1.025 -28.283 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -18.603 -1.539 -27.238 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -19.090 -2.283 -29.530 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -20.250 -1.047 -29.086 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -19.050 0.660 -30.340 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.661 -0.385 -30.561 1.00 0.00 H new ATOM 0 HE ARG A 37 -19.846 -1.777 -31.697 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -20.254 -1.605 -33.925 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -19.650 -0.217 -34.836 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.146 1.271 -32.054 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.467 1.396 -33.787 1.00 0.00 H new ATOM 619 N LYS A 38 -16.944 0.969 -25.909 1.00 0.00 N ATOM 620 CA LYS A 38 -16.481 1.160 -24.539 1.00 0.00 C ATOM 621 C LYS A 38 -17.127 2.396 -23.921 1.00 0.00 C ATOM 622 O LYS A 38 -17.570 2.367 -22.773 1.00 0.00 O ATOM 623 CB LYS A 38 -14.958 1.312 -24.518 1.00 0.00 C ATOM 624 CG LYS A 38 -14.486 1.499 -23.073 1.00 0.00 C ATOM 625 CD LYS A 38 -12.958 1.384 -22.991 1.00 0.00 C ATOM 626 CE LYS A 38 -12.297 2.609 -23.630 1.00 0.00 C ATOM 627 NZ LYS A 38 -10.829 2.566 -23.378 1.00 0.00 N1+ ATOM 0 H LYS A 38 -16.208 0.994 -26.615 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.766 0.285 -23.954 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.487 0.431 -24.955 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.658 2.167 -25.124 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.804 2.474 -22.703 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.949 0.748 -22.432 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.649 1.297 -21.949 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.627 0.478 -23.498 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.493 2.624 -24.702 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.722 3.523 -23.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.378 3.397 -23.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.652 2.571 -22.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.431 1.700 -23.794 1.00 0.00 H new ATOM 641 N ALA A 39 -17.175 3.480 -24.687 1.00 0.00 N ATOM 642 CA ALA A 39 -17.769 4.721 -24.201 1.00 0.00 C ATOM 643 C ALA A 39 -19.243 4.511 -23.864 1.00 0.00 C ATOM 644 O ALA A 39 -19.743 5.033 -22.868 1.00 0.00 O ATOM 645 CB ALA A 39 -17.637 5.814 -25.261 1.00 0.00 C ATOM 0 H ALA A 39 -16.813 3.526 -25.640 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.240 5.027 -23.298 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.083 6.737 -24.890 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.583 5.983 -25.480 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.151 5.503 -26.170 1.00 0.00 H new ATOM 651 N LEU A 40 -19.933 3.745 -24.703 1.00 0.00 N ATOM 652 CA LEU A 40 -21.348 3.472 -24.486 1.00 0.00 C ATOM 653 C LEU A 40 -21.553 2.744 -23.160 1.00 0.00 C ATOM 654 O LEU A 40 -22.457 3.072 -22.393 1.00 0.00 O ATOM 655 CB LEU A 40 -21.895 2.623 -25.643 1.00 0.00 C ATOM 656 CG LEU A 40 -23.386 2.311 -25.430 1.00 0.00 C ATOM 657 CD1 LEU A 40 -24.198 3.616 -25.365 1.00 0.00 C ATOM 658 CD2 LEU A 40 -23.882 1.455 -26.601 1.00 0.00 C ATOM 0 H LEU A 40 -19.538 3.305 -25.534 1.00 0.00 H new ATOM 0 HA LEU A 40 -21.888 4.418 -24.448 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.760 3.154 -26.586 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -21.331 1.693 -25.717 1.00 0.00 H new ATOM 0 HG LEU A 40 -23.515 1.773 -24.491 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -25.252 3.382 -25.214 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -23.840 4.227 -24.536 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -24.079 4.166 -26.299 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -24.939 1.226 -26.463 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -23.748 2.002 -27.534 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -23.312 0.527 -26.640 1.00 0.00 H new ATOM 670 N GLU A 41 -20.706 1.752 -22.899 1.00 0.00 N ATOM 671 CA GLU A 41 -20.803 0.981 -21.665 1.00 0.00 C ATOM 672 C GLU A 41 -20.600 1.885 -20.452 1.00 0.00 C ATOM 673 O GLU A 41 -21.313 1.771 -19.456 1.00 0.00 O ATOM 674 CB GLU A 41 -19.752 -0.132 -21.663 1.00 0.00 C ATOM 675 CG GLU A 41 -19.896 -0.980 -20.397 1.00 0.00 C ATOM 676 CD GLU A 41 -18.899 -2.133 -20.428 1.00 0.00 C ATOM 677 OE1 GLU A 41 -18.161 -2.227 -21.395 1.00 0.00 O ATOM 678 OE2 GLU A 41 -18.887 -2.907 -19.483 1.00 0.00 O1- ATOM 0 H GLU A 41 -19.950 1.465 -23.521 1.00 0.00 H new ATOM 0 HA GLU A 41 -21.798 0.539 -21.609 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -19.871 -0.759 -22.547 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.752 0.300 -21.711 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.725 -0.363 -19.515 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.912 -1.368 -20.322 1.00 0.00 H new ATOM 685 N ASP A 42 -19.623 2.781 -20.545 1.00 0.00 N ATOM 686 CA ASP A 42 -19.336 3.698 -19.448 1.00 0.00 C ATOM 687 C ASP A 42 -20.544 4.582 -19.156 1.00 0.00 C ATOM 688 O ASP A 42 -20.901 4.800 -17.998 1.00 0.00 O ATOM 689 CB ASP A 42 -18.134 4.574 -19.801 1.00 0.00 C ATOM 690 CG ASP A 42 -17.779 5.473 -18.620 1.00 0.00 C ATOM 691 OD1 ASP A 42 -18.539 5.492 -17.667 1.00 0.00 O ATOM 692 OD2 ASP A 42 -16.751 6.128 -18.687 1.00 0.00 O1- ATOM 0 H ASP A 42 -19.021 2.892 -21.361 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.109 3.110 -18.559 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.281 3.947 -20.061 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.361 5.182 -20.676 1.00 0.00 H new ATOM 697 N LYS A 43 -21.175 5.085 -20.214 1.00 0.00 N ATOM 698 CA LYS A 43 -22.346 5.942 -20.057 1.00 0.00 C ATOM 699 C LYS A 43 -23.484 5.175 -19.392 1.00 0.00 C ATOM 700 O LYS A 43 -24.204 5.718 -18.554 1.00 0.00 O ATOM 701 CB LYS A 43 -22.810 6.472 -21.419 1.00 0.00 C ATOM 702 CG LYS A 43 -21.811 7.516 -21.945 1.00 0.00 C ATOM 703 CD LYS A 43 -22.378 8.217 -23.187 1.00 0.00 C ATOM 704 CE LYS A 43 -22.376 7.265 -24.389 1.00 0.00 C ATOM 705 NZ LYS A 43 -22.755 8.020 -25.615 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.898 4.916 -21.181 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.067 6.784 -19.424 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -22.896 5.649 -22.129 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.800 6.918 -21.327 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -21.600 8.251 -21.168 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.866 7.033 -22.192 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -23.394 8.558 -22.987 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.784 9.102 -23.415 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.389 6.819 -24.513 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -23.076 6.447 -24.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.755 7.377 -26.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.705 8.425 -25.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.070 8.786 -25.777 1.00 0.00 H new ATOM 719 N LEU A 44 -23.642 3.911 -19.772 1.00 0.00 N ATOM 720 CA LEU A 44 -24.699 3.080 -19.208 1.00 0.00 C ATOM 721 C LEU A 44 -24.512 2.935 -17.700 1.00 0.00 C ATOM 722 O LEU A 44 -25.466 3.052 -16.932 1.00 0.00 O ATOM 723 CB LEU A 44 -24.684 1.698 -19.877 1.00 0.00 C ATOM 724 CG LEU A 44 -25.780 0.796 -19.285 1.00 0.00 C ATOM 725 CD1 LEU A 44 -27.165 1.425 -19.511 1.00 0.00 C ATOM 726 CD2 LEU A 44 -25.718 -0.572 -19.976 1.00 0.00 C ATOM 0 H LEU A 44 -23.056 3.443 -20.463 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.661 3.557 -19.394 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -24.836 1.807 -20.951 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.708 1.232 -19.739 1.00 0.00 H new ATOM 0 HG LEU A 44 -25.619 0.683 -18.213 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -27.932 0.777 -19.087 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -27.205 2.400 -19.026 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -27.340 1.544 -20.580 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -26.490 -1.222 -19.565 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.880 -0.447 -21.047 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -24.739 -1.021 -19.808 1.00 0.00 H new ATOM 738 N ALA A 45 -23.275 2.681 -17.284 1.00 0.00 N ATOM 739 CA ALA A 45 -22.975 2.523 -15.864 1.00 0.00 C ATOM 740 C ALA A 45 -23.300 3.804 -15.102 1.00 0.00 C ATOM 741 O ALA A 45 -23.825 3.761 -13.989 1.00 0.00 O ATOM 742 CB ALA A 45 -21.498 2.175 -15.678 1.00 0.00 C ATOM 0 H ALA A 45 -22.471 2.581 -17.903 1.00 0.00 H new ATOM 0 HA ALA A 45 -23.590 1.714 -15.469 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -21.283 2.059 -14.616 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -21.276 1.243 -16.197 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -20.881 2.975 -16.088 1.00 0.00 H new ATOM 748 N ASP A 46 -22.984 4.944 -15.709 1.00 0.00 N ATOM 749 CA ASP A 46 -23.243 6.233 -15.078 1.00 0.00 C ATOM 750 C ASP A 46 -22.625 6.283 -13.683 1.00 0.00 C ATOM 751 O ASP A 46 -23.208 6.851 -12.759 1.00 0.00 O ATOM 752 CB ASP A 46 -24.752 6.462 -14.975 1.00 0.00 C ATOM 753 CG ASP A 46 -25.033 7.908 -14.581 1.00 0.00 C ATOM 754 OD1 ASP A 46 -24.101 8.586 -14.184 1.00 0.00 O ATOM 755 OD2 ASP A 46 -26.179 8.317 -14.683 1.00 0.00 O1- ATOM 0 H ASP A 46 -22.551 5.001 -16.631 1.00 0.00 H new ATOM 0 HA ASP A 46 -22.793 7.015 -15.689 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -25.228 6.237 -15.929 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -25.182 5.785 -14.237 1.00 0.00 H new ATOM 760 N LYS A 47 -21.441 5.691 -13.534 1.00 0.00 N ATOM 761 CA LYS A 47 -20.760 5.683 -12.244 1.00 0.00 C ATOM 762 C LYS A 47 -19.278 5.370 -12.423 1.00 0.00 C ATOM 763 O LYS A 47 -18.504 5.411 -11.466 1.00 0.00 O ATOM 764 CB LYS A 47 -21.406 4.648 -11.317 1.00 0.00 C ATOM 765 CG LYS A 47 -21.289 3.251 -11.933 1.00 0.00 C ATOM 766 CD LYS A 47 -21.955 2.230 -11.011 1.00 0.00 C ATOM 767 CE LYS A 47 -21.841 0.833 -11.627 1.00 0.00 C ATOM 768 NZ LYS A 47 -22.484 -0.162 -10.725 1.00 0.00 N1+ ATOM 0 H LYS A 47 -20.939 5.215 -14.284 1.00 0.00 H new ATOM 0 HA LYS A 47 -20.854 6.672 -11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.920 4.667 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -22.455 4.897 -11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -21.763 3.234 -12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.240 2.994 -12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.480 2.246 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -23.003 2.489 -10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -22.320 0.815 -12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.793 0.576 -11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.407 -1.111 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.008 -0.151 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.488 0.080 -10.600 1.00 0.00 H new ATOM 782 N GLN A 48 -18.889 5.058 -13.658 1.00 0.00 N ATOM 783 CA GLN A 48 -17.493 4.739 -13.967 1.00 0.00 C ATOM 784 C GLN A 48 -16.758 5.982 -14.456 1.00 0.00 C ATOM 785 O GLN A 48 -15.585 5.915 -14.822 1.00 0.00 O ATOM 786 CB GLN A 48 -17.432 3.656 -15.050 1.00 0.00 C ATOM 787 CG GLN A 48 -18.097 2.367 -14.552 1.00 0.00 C ATOM 788 CD GLN A 48 -17.364 1.830 -13.325 1.00 0.00 C ATOM 789 OE1 GLN A 48 -16.147 1.648 -13.359 1.00 0.00 O ATOM 790 NE2 GLN A 48 -18.037 1.559 -12.240 1.00 0.00 N ATOM 0 H GLN A 48 -19.518 5.019 -14.460 1.00 0.00 H new ATOM 0 HA GLN A 48 -17.013 4.376 -13.058 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -17.933 4.006 -15.953 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -16.394 3.458 -15.318 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -19.141 2.561 -14.304 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -18.091 1.618 -15.344 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -19.045 1.711 -12.214 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.555 1.196 -11.418 1.00 0.00 H new ATOM 799 N GLU A 49 -17.451 7.114 -14.469 1.00 0.00 N ATOM 800 CA GLU A 49 -16.840 8.360 -14.924 1.00 0.00 C ATOM 801 C GLU A 49 -15.687 8.774 -14.012 1.00 0.00 C ATOM 802 O GLU A 49 -14.653 9.246 -14.484 1.00 0.00 O ATOM 803 CB GLU A 49 -17.885 9.481 -14.974 1.00 0.00 C ATOM 804 CG GLU A 49 -18.869 9.234 -16.123 1.00 0.00 C ATOM 805 CD GLU A 49 -18.167 9.431 -17.462 1.00 0.00 C ATOM 806 OE1 GLU A 49 -17.102 10.025 -17.469 1.00 0.00 O ATOM 807 OE2 GLU A 49 -18.704 8.984 -18.463 1.00 0.00 O1- ATOM 0 H GLU A 49 -18.424 7.197 -14.174 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.446 8.190 -15.926 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -18.424 9.529 -14.028 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.391 10.443 -15.109 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -19.270 8.222 -16.058 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -19.714 9.917 -16.042 1.00 0.00 H new ATOM 814 N HIS A 50 -15.871 8.604 -12.705 1.00 0.00 N ATOM 815 CA HIS A 50 -14.833 8.978 -11.747 1.00 0.00 C ATOM 816 C HIS A 50 -13.643 8.021 -11.817 1.00 0.00 C ATOM 817 O HIS A 50 -12.543 8.361 -11.383 1.00 0.00 O ATOM 818 CB HIS A 50 -15.403 8.982 -10.327 1.00 0.00 C ATOM 819 CG HIS A 50 -15.805 7.587 -9.941 1.00 0.00 C ATOM 820 ND1 HIS A 50 -14.893 6.663 -9.456 1.00 0.00 N ATOM 821 CD2 HIS A 50 -17.016 6.944 -9.956 1.00 0.00 C ATOM 822 CE1 HIS A 50 -15.564 5.524 -9.201 1.00 0.00 C ATOM 823 NE2 HIS A 50 -16.863 5.641 -9.489 1.00 0.00 N ATOM 0 H HIS A 50 -16.717 8.215 -12.289 1.00 0.00 H new ATOM 0 HA HIS A 50 -14.487 9.979 -12.005 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.660 9.364 -9.627 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -16.264 9.648 -10.272 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -17.948 7.382 -10.281 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.108 4.626 -8.811 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -17.587 4.929 -9.389 1.00 0.00 H new ATOM 831 N LEU A 51 -13.868 6.828 -12.358 1.00 0.00 N ATOM 832 CA LEU A 51 -12.798 5.842 -12.467 1.00 0.00 C ATOM 833 C LEU A 51 -11.685 6.364 -13.371 1.00 0.00 C ATOM 834 O LEU A 51 -10.502 6.215 -13.064 1.00 0.00 O ATOM 835 CB LEU A 51 -13.351 4.522 -13.023 1.00 0.00 C ATOM 836 CG LEU A 51 -12.235 3.471 -13.137 1.00 0.00 C ATOM 837 CD1 LEU A 51 -11.625 3.186 -11.754 1.00 0.00 C ATOM 838 CD2 LEU A 51 -12.829 2.180 -13.711 1.00 0.00 C ATOM 0 H LEU A 51 -14.770 6.523 -12.724 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.387 5.663 -11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -14.142 4.150 -12.372 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.798 4.693 -14.002 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.450 3.848 -13.793 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.836 2.440 -11.851 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.206 4.105 -11.344 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.399 2.810 -11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.046 1.426 -13.797 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.614 1.815 -13.049 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.250 2.380 -14.696 1.00 0.00 H new ATOM 850 N ASP A 52 -12.072 6.973 -14.486 1.00 0.00 N ATOM 851 CA ASP A 52 -11.100 7.510 -15.430 1.00 0.00 C ATOM 852 C ASP A 52 -10.247 8.588 -14.768 1.00 0.00 C ATOM 853 O ASP A 52 -9.040 8.664 -15.001 1.00 0.00 O ATOM 854 CB ASP A 52 -11.820 8.101 -16.643 1.00 0.00 C ATOM 855 CG ASP A 52 -12.408 6.982 -17.496 1.00 0.00 C ATOM 856 OD1 ASP A 52 -12.041 5.840 -17.277 1.00 0.00 O ATOM 857 OD2 ASP A 52 -13.217 7.285 -18.358 1.00 0.00 O1- ATOM 0 H ASP A 52 -13.046 7.107 -14.757 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.451 6.697 -15.754 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.612 8.773 -16.314 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.124 8.694 -17.236 1.00 0.00 H new ATOM 862 N GLY A 53 -10.879 9.417 -13.944 1.00 0.00 N ATOM 863 CA GLY A 53 -10.161 10.485 -13.258 1.00 0.00 C ATOM 864 C GLY A 53 -9.075 9.912 -12.346 1.00 0.00 C ATOM 865 O GLY A 53 -7.979 10.466 -12.259 1.00 0.00 O ATOM 0 H GLY A 53 -11.877 9.371 -13.736 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.711 11.155 -13.990 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.860 11.079 -12.669 1.00 0.00 H new ATOM 869 N ALA A 54 -9.378 8.803 -11.670 1.00 0.00 N ATOM 870 CA ALA A 54 -8.408 8.181 -10.777 1.00 0.00 C ATOM 871 C ALA A 54 -7.174 7.735 -11.555 1.00 0.00 C ATOM 872 O ALA A 54 -6.045 7.881 -11.088 1.00 0.00 O ATOM 873 CB ALA A 54 -9.037 6.974 -10.079 1.00 0.00 C ATOM 0 H ALA A 54 -10.277 8.324 -11.724 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.108 8.915 -10.030 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.305 6.516 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.901 7.299 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.354 6.246 -10.826 1.00 0.00 H new ATOM 879 N LEU A 55 -7.400 7.190 -12.746 1.00 0.00 N ATOM 880 CA LEU A 55 -6.301 6.724 -13.585 1.00 0.00 C ATOM 881 C LEU A 55 -5.400 7.889 -13.980 1.00 0.00 C ATOM 882 O LEU A 55 -4.179 7.748 -14.023 1.00 0.00 O ATOM 883 CB LEU A 55 -6.854 6.056 -14.849 1.00 0.00 C ATOM 884 CG LEU A 55 -7.554 4.735 -14.489 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.282 4.204 -15.729 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.526 3.691 -14.004 1.00 0.00 C ATOM 0 H LEU A 55 -8.328 7.061 -13.150 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.717 6.000 -13.017 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.557 6.725 -15.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.044 5.867 -15.553 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.267 4.916 -13.685 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.782 3.267 -15.484 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.021 4.935 -16.058 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.561 4.032 -16.528 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.040 2.763 -13.754 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.799 3.502 -14.794 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.011 4.070 -13.121 1.00 0.00 H new ATOM 898 N ARG A 56 -6.017 9.033 -14.274 1.00 0.00 N ATOM 899 CA ARG A 56 -5.282 10.235 -14.672 1.00 0.00 C ATOM 900 C ARG A 56 -4.605 10.049 -16.031 1.00 0.00 C ATOM 901 O ARG A 56 -4.295 11.023 -16.714 1.00 0.00 O ATOM 902 CB ARG A 56 -4.226 10.588 -13.620 1.00 0.00 C ATOM 903 CG ARG A 56 -3.697 11.999 -13.885 1.00 0.00 C ATOM 904 CD ARG A 56 -2.654 12.355 -12.826 1.00 0.00 C ATOM 905 NE ARG A 56 -2.132 13.697 -13.061 1.00 0.00 N ATOM 906 CZ ARG A 56 -2.790 14.775 -12.647 1.00 0.00 C ATOM 907 NH1 ARG A 56 -2.300 15.964 -12.869 1.00 0.00 N1+ ATOM 908 NH2 ARG A 56 -3.926 14.644 -12.018 1.00 0.00 N ATOM 0 H ARG A 56 -7.029 9.154 -14.244 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.002 11.049 -14.752 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.659 10.532 -12.621 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.408 9.869 -13.654 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.255 12.053 -14.880 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.516 12.717 -13.861 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.100 12.300 -11.833 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.839 11.631 -12.850 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.245 13.810 -13.552 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.412 16.066 -13.360 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.805 16.791 -12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.309 13.715 -11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.431 15.471 -11.700 1.00 0.00 H new ATOM 922 N TYR A 57 -4.381 8.797 -16.420 1.00 0.00 N ATOM 923 CA TYR A 57 -3.744 8.510 -17.700 1.00 0.00 C ATOM 924 C TYR A 57 -2.416 9.255 -17.815 1.00 0.00 C ATOM 925 O TYR A 57 -1.394 8.644 -17.554 1.00 0.00 O ATOM 926 CB TYR A 57 -4.669 8.925 -18.846 1.00 0.00 C ATOM 927 CG TYR A 57 -3.968 8.712 -20.169 1.00 0.00 C ATOM 928 CD1 TYR A 57 -3.870 7.424 -20.709 1.00 0.00 C ATOM 929 CD2 TYR A 57 -3.414 9.801 -20.853 1.00 0.00 C ATOM 930 CE1 TYR A 57 -3.221 7.224 -21.933 1.00 0.00 C ATOM 931 CE2 TYR A 57 -2.763 9.602 -22.076 1.00 0.00 C ATOM 932 CZ TYR A 57 -2.667 8.313 -22.617 1.00 0.00 C ATOM 933 OH TYR A 57 -2.026 8.118 -23.823 1.00 0.00 O ATOM 934 OXT TYR A 57 -2.445 10.424 -18.161 1.00 0.00 O ATOM 0 H TYR A 57 -4.629 7.973 -15.873 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.552 7.439 -17.760 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.589 8.342 -18.813 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.951 9.972 -18.737 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.296 6.584 -20.181 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.489 10.795 -20.437 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.148 6.230 -22.350 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.335 10.442 -22.603 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.701 8.978 -24.164 1.00 0.00 H new TER 944 TYR A 57