USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0399) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0954 USER MOD Single : A 4 GLN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0087 X(o=-0.0087,f=-0.0087) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 13 GLN : amide:sc= -0.0916 X(o=-0.092,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 87:sc= 1.03 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0395) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 50:sc= 1.29 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 60 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.345 -39.169 -12.531 1.00 0.00 N ATOM 2 CA MET A 1 -0.648 -40.144 -12.095 1.00 0.00 C ATOM 3 C MET A 1 -1.054 -39.896 -10.646 1.00 0.00 C ATOM 4 O MET A 1 -2.238 -39.924 -10.309 1.00 0.00 O ATOM 5 CB MET A 1 -0.100 -41.565 -12.247 1.00 0.00 C ATOM 6 CG MET A 1 -0.752 -42.350 -13.373 1.00 0.00 C ATOM 7 SD MET A 1 0.453 -43.136 -14.460 1.00 0.00 S ATOM 8 CE MET A 1 0.064 -44.866 -14.202 1.00 0.00 C ATOM 0 H1 MET A 1 0.531 -39.293 -13.547 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.013 -38.208 -12.359 1.00 0.00 H new ATOM 0 H3 MET A 1 1.227 -39.310 -11.998 1.00 0.00 H new ATOM 0 HA MET A 1 -1.530 -40.033 -12.725 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.974 -41.514 -12.425 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.243 -42.103 -11.310 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.405 -43.113 -12.948 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.383 -41.681 -13.959 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.727 -45.482 -14.809 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.198 -45.116 -13.150 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.970 -45.053 -14.490 1.00 0.00 H new ATOM 18 N VAL A 2 -0.065 -39.653 -9.792 1.00 0.00 N ATOM 19 CA VAL A 2 -0.320 -39.399 -8.379 1.00 0.00 C ATOM 20 C VAL A 2 0.352 -38.108 -7.923 1.00 0.00 C ATOM 21 O VAL A 2 0.883 -38.031 -6.814 1.00 0.00 O ATOM 22 CB VAL A 2 0.178 -40.562 -7.501 1.00 0.00 C ATOM 23 CG1 VAL A 2 -0.710 -41.784 -7.680 1.00 0.00 C ATOM 24 CG2 VAL A 2 1.627 -40.893 -7.826 1.00 0.00 C ATOM 0 H VAL A 2 0.920 -39.627 -10.054 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.400 -39.304 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 2 0.126 -40.254 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.343 -42.596 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.732 -41.536 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.692 -42.097 -8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.962 -41.717 -7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.708 -41.181 -8.874 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.250 -40.018 -7.641 1.00 0.00 H new ATOM 34 N SER A 3 0.325 -37.097 -8.784 1.00 0.00 N ATOM 35 CA SER A 3 0.935 -35.810 -8.472 1.00 0.00 C ATOM 36 C SER A 3 0.103 -35.050 -7.443 1.00 0.00 C ATOM 37 O SER A 3 -1.036 -34.668 -7.712 1.00 0.00 O ATOM 38 CB SER A 3 1.087 -34.971 -9.742 1.00 0.00 C ATOM 39 OG SER A 3 0.057 -35.262 -10.671 1.00 0.00 O ATOM 0 H SER A 3 -0.113 -37.144 -9.704 1.00 0.00 H new ATOM 0 HA SER A 3 1.922 -35.997 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.063 -33.912 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.058 -35.167 -10.197 1.00 0.00 H new ATOM 0 HG SER A 3 0.175 -34.712 -11.473 1.00 0.00 H new ATOM 45 N GLN A 4 0.681 -34.835 -6.266 1.00 0.00 N ATOM 46 CA GLN A 4 -0.008 -34.122 -5.196 1.00 0.00 C ATOM 47 C GLN A 4 0.923 -33.118 -4.524 1.00 0.00 C ATOM 48 O GLN A 4 2.134 -33.330 -4.451 1.00 0.00 O ATOM 49 CB GLN A 4 -0.546 -35.110 -4.160 1.00 0.00 C ATOM 50 CG GLN A 4 0.499 -36.093 -3.658 1.00 0.00 C ATOM 51 CD GLN A 4 0.686 -36.029 -2.155 1.00 0.00 C ATOM 52 OE1 GLN A 4 0.392 -36.987 -1.439 1.00 0.00 O ATOM 53 NE2 GLN A 4 1.179 -34.896 -1.667 1.00 0.00 N ATOM 0 H GLN A 4 1.624 -35.144 -6.029 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.844 -33.577 -5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.946 -34.553 -3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.376 -35.666 -4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.207 -37.104 -3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 4 1.451 -35.887 -4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.409 -34.127 -2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.327 -34.795 -0.663 1.00 0.00 H new ATOM 62 N LYS A 5 0.350 -32.023 -4.036 1.00 0.00 N ATOM 63 CA LYS A 5 1.128 -30.985 -3.369 1.00 0.00 C ATOM 64 C LYS A 5 0.341 -30.374 -2.213 1.00 0.00 C ATOM 65 O LYS A 5 -0.859 -30.607 -2.076 1.00 0.00 O ATOM 66 CB LYS A 5 1.521 -29.893 -4.366 1.00 0.00 C ATOM 67 CG LYS A 5 3.022 -29.711 -4.508 1.00 0.00 C ATOM 68 CD LYS A 5 3.429 -29.552 -5.964 1.00 0.00 C ATOM 69 CE LYS A 5 4.826 -28.965 -6.091 1.00 0.00 C ATOM 70 NZ LYS A 5 5.421 -29.233 -7.430 1.00 0.00 N ATOM 0 H LYS A 5 -0.650 -31.831 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 5 2.032 -31.444 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.099 -30.134 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.077 -28.949 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.338 -28.834 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.536 -30.570 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.394 -30.522 -6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.714 -28.907 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.785 -27.889 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.468 -29.386 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.373 -28.817 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.484 -30.260 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.822 -28.810 -8.167 1.00 0.00 H new ATOM 84 N ASN A 6 1.026 -29.591 -1.386 1.00 0.00 N ATOM 85 CA ASN A 6 0.390 -28.945 -0.243 1.00 0.00 C ATOM 86 C ASN A 6 -0.339 -27.675 -0.672 1.00 0.00 C ATOM 87 O ASN A 6 -0.420 -27.364 -1.859 1.00 0.00 O ATOM 88 CB ASN A 6 1.432 -28.613 0.826 1.00 0.00 C ATOM 89 CG ASN A 6 2.407 -29.751 1.057 1.00 0.00 C ATOM 90 OD1 ASN A 6 2.014 -30.851 1.446 1.00 0.00 O ATOM 91 ND2 ASN A 6 3.687 -29.492 0.818 1.00 0.00 N ATOM 0 H ASN A 6 2.021 -29.388 -1.486 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.341 -29.638 0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.983 -27.721 0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.926 -28.377 1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.389 -30.219 0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.969 -28.566 0.497 1.00 0.00 H new ATOM 98 N GLY A 7 -0.867 -26.944 0.306 1.00 0.00 N ATOM 99 CA GLY A 7 -1.581 -25.716 0.010 1.00 0.00 C ATOM 100 C GLY A 7 -0.679 -24.498 0.042 1.00 0.00 C ATOM 101 O GLY A 7 -0.909 -23.568 0.816 1.00 0.00 O ATOM 0 H GLY A 7 -0.813 -27.180 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.043 -25.796 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.388 -25.586 0.731 1.00 0.00 H new ATOM 105 N ILE A 8 0.350 -24.504 -0.798 1.00 0.00 N ATOM 106 CA ILE A 8 1.290 -23.392 -0.861 1.00 0.00 C ATOM 107 C ILE A 8 1.160 -22.637 -2.180 1.00 0.00 C ATOM 108 O ILE A 8 2.155 -22.203 -2.759 1.00 0.00 O ATOM 109 CB ILE A 8 2.744 -23.874 -0.701 1.00 0.00 C ATOM 110 CG1 ILE A 8 3.032 -25.026 -1.665 1.00 0.00 C ATOM 111 CG2 ILE A 8 3.005 -24.300 0.736 1.00 0.00 C ATOM 112 CD1 ILE A 8 4.418 -24.976 -2.270 1.00 0.00 C ATOM 0 H ILE A 8 0.554 -25.266 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 8 1.044 -22.724 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 8 3.414 -23.048 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.909 -25.971 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.294 -25.011 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.037 -24.638 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.836 -23.454 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.330 -25.113 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.552 -25.823 -2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.538 -24.047 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.163 -25.022 -1.476 1.00 0.00 H new ATOM 124 N ALA A 9 -0.075 -22.482 -2.647 1.00 0.00 N ATOM 125 CA ALA A 9 -0.337 -21.776 -3.895 1.00 0.00 C ATOM 126 C ALA A 9 -0.043 -20.286 -3.754 1.00 0.00 C ATOM 127 O ALA A 9 0.266 -19.608 -4.734 1.00 0.00 O ATOM 128 CB ALA A 9 -1.778 -21.993 -4.332 1.00 0.00 C ATOM 0 H ALA A 9 -0.910 -22.836 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 9 0.327 -22.180 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.959 -21.460 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.956 -23.058 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.452 -21.617 -3.562 1.00 0.00 H new ATOM 134 N THR A 10 -0.143 -19.781 -2.528 1.00 0.00 N ATOM 135 CA THR A 10 0.110 -18.371 -2.260 1.00 0.00 C ATOM 136 C THR A 10 1.514 -17.971 -2.697 1.00 0.00 C ATOM 137 O THR A 10 1.714 -16.904 -3.279 1.00 0.00 O ATOM 138 CB THR A 10 -0.063 -18.044 -0.764 1.00 0.00 C ATOM 139 OG1 THR A 10 -0.886 -19.035 -0.138 1.00 0.00 O ATOM 140 CG2 THR A 10 -0.686 -16.669 -0.579 1.00 0.00 C ATOM 0 H THR A 10 -0.397 -20.328 -1.705 1.00 0.00 H new ATOM 0 HA THR A 10 -0.621 -17.804 -2.836 1.00 0.00 H new ATOM 0 HB THR A 10 0.923 -18.044 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.990 -18.821 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.798 -16.461 0.485 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.042 -15.914 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.665 -16.645 -1.058 1.00 0.00 H new ATOM 148 N LEU A 11 2.485 -18.833 -2.414 1.00 0.00 N ATOM 149 CA LEU A 11 3.872 -18.569 -2.780 1.00 0.00 C ATOM 150 C LEU A 11 4.055 -18.615 -4.293 1.00 0.00 C ATOM 151 O LEU A 11 4.715 -17.754 -4.876 1.00 0.00 O ATOM 152 CB LEU A 11 4.798 -19.588 -2.112 1.00 0.00 C ATOM 153 CG LEU A 11 6.280 -19.488 -2.477 1.00 0.00 C ATOM 154 CD1 LEU A 11 7.039 -18.706 -1.417 1.00 0.00 C ATOM 155 CD2 LEU A 11 6.880 -20.876 -2.651 1.00 0.00 C ATOM 0 H LEU A 11 2.337 -19.720 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 11 4.130 -17.569 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.703 -19.482 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.448 -20.589 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 11 6.367 -18.955 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.092 -18.645 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.625 -17.700 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.945 -19.211 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.935 -20.786 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.781 -21.434 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.354 -21.403 -3.447 1.00 0.00 H new ATOM 167 N LEU A 12 3.465 -19.624 -4.925 1.00 0.00 N ATOM 168 CA LEU A 12 3.560 -19.781 -6.372 1.00 0.00 C ATOM 169 C LEU A 12 3.054 -18.534 -7.090 1.00 0.00 C ATOM 170 O LEU A 12 3.527 -18.197 -8.175 1.00 0.00 O ATOM 171 CB LEU A 12 2.761 -21.004 -6.826 1.00 0.00 C ATOM 172 CG LEU A 12 2.830 -21.336 -8.317 1.00 0.00 C ATOM 173 CD1 LEU A 12 4.053 -22.188 -8.618 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.560 -22.044 -8.765 1.00 0.00 C ATOM 0 H LEU A 12 2.916 -20.346 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 12 4.610 -19.925 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.111 -21.870 -6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.716 -20.851 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 12 2.917 -20.403 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.085 -22.414 -9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.954 -21.644 -8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.997 -23.117 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.627 -22.273 -9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.441 -22.970 -8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.701 -21.398 -8.586 1.00 0.00 H new ATOM 186 N GLN A 13 2.093 -17.852 -6.475 1.00 0.00 N ATOM 187 CA GLN A 13 1.525 -16.641 -7.055 1.00 0.00 C ATOM 188 C GLN A 13 2.545 -15.507 -7.054 1.00 0.00 C ATOM 189 O GLN A 13 2.698 -14.796 -8.047 1.00 0.00 O ATOM 190 CB GLN A 13 0.274 -16.219 -6.284 1.00 0.00 C ATOM 191 CG GLN A 13 -0.291 -14.879 -6.726 1.00 0.00 C ATOM 192 CD GLN A 13 -1.791 -14.921 -6.943 1.00 0.00 C ATOM 193 OE1 GLN A 13 -2.541 -14.168 -6.321 1.00 0.00 O ATOM 194 NE2 GLN A 13 -2.237 -15.803 -7.830 1.00 0.00 N ATOM 0 H GLN A 13 1.692 -18.117 -5.576 1.00 0.00 H new ATOM 0 HA GLN A 13 1.250 -16.857 -8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.492 -16.985 -6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.512 -16.171 -5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.057 -14.125 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.197 -14.570 -7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.580 -16.408 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.237 -15.876 -8.018 1.00 0.00 H new ATOM 203 N ALA A 14 3.239 -15.344 -5.933 1.00 0.00 N ATOM 204 CA ALA A 14 4.245 -14.297 -5.803 1.00 0.00 C ATOM 205 C ALA A 14 5.429 -14.556 -6.728 1.00 0.00 C ATOM 206 O ALA A 14 5.939 -13.637 -7.370 1.00 0.00 O ATOM 207 CB ALA A 14 4.714 -14.191 -4.359 1.00 0.00 C ATOM 0 H ALA A 14 3.123 -15.923 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 14 3.789 -13.351 -6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.465 -13.405 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.866 -13.951 -3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.147 -15.141 -4.047 1.00 0.00 H new ATOM 213 N GLU A 15 5.862 -15.811 -6.791 1.00 0.00 N ATOM 214 CA GLU A 15 6.988 -16.189 -7.637 1.00 0.00 C ATOM 215 C GLU A 15 6.648 -15.997 -9.112 1.00 0.00 C ATOM 216 O GLU A 15 7.442 -15.450 -9.879 1.00 0.00 O ATOM 217 CB GLU A 15 7.384 -17.644 -7.379 1.00 0.00 C ATOM 218 CG GLU A 15 7.710 -17.937 -5.924 1.00 0.00 C ATOM 219 CD GLU A 15 8.998 -18.719 -5.761 1.00 0.00 C ATOM 220 OE1 GLU A 15 10.081 -18.105 -5.856 1.00 0.00 O ATOM 221 OE2 GLU A 15 8.924 -19.946 -5.538 1.00 0.00 O ATOM 0 H GLU A 15 5.450 -16.583 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 15 7.829 -15.542 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.571 -18.295 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.250 -17.891 -7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.788 -16.998 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.889 -18.499 -5.478 1.00 0.00 H new ATOM 228 N LYS A 16 5.463 -16.452 -9.504 1.00 0.00 N ATOM 229 CA LYS A 16 5.015 -16.332 -10.887 1.00 0.00 C ATOM 230 C LYS A 16 4.905 -14.867 -11.297 1.00 0.00 C ATOM 231 O LYS A 16 5.429 -14.463 -12.334 1.00 0.00 O ATOM 232 CB LYS A 16 3.664 -17.027 -11.070 1.00 0.00 C ATOM 233 CG LYS A 16 3.264 -17.205 -12.524 1.00 0.00 C ATOM 234 CD LYS A 16 1.804 -17.604 -12.655 1.00 0.00 C ATOM 235 CE LYS A 16 1.423 -17.856 -14.106 1.00 0.00 C ATOM 236 NZ LYS A 16 0.081 -18.491 -14.225 1.00 0.00 N ATOM 0 H LYS A 16 4.795 -16.908 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 16 5.754 -16.816 -11.526 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.700 -18.005 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.895 -16.448 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.438 -16.276 -13.067 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.893 -17.966 -12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.617 -18.503 -12.067 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.172 -16.817 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.428 -16.913 -14.652 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.171 -18.498 -14.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.142 -18.646 -15.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.083 -19.403 -13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.637 -17.867 -13.804 1.00 0.00 H new ATOM 250 N GLU A 17 4.221 -14.076 -10.475 1.00 0.00 N ATOM 251 CA GLU A 17 4.044 -12.656 -10.753 1.00 0.00 C ATOM 252 C GLU A 17 5.393 -11.954 -10.882 1.00 0.00 C ATOM 253 O GLU A 17 5.630 -11.211 -11.834 1.00 0.00 O ATOM 254 CB GLU A 17 3.216 -11.997 -9.648 1.00 0.00 C ATOM 255 CG GLU A 17 1.716 -12.098 -9.868 1.00 0.00 C ATOM 256 CD GLU A 17 0.929 -11.172 -8.962 1.00 0.00 C ATOM 257 OE1 GLU A 17 0.929 -11.403 -7.735 1.00 0.00 O ATOM 258 OE2 GLU A 17 0.314 -10.216 -9.480 1.00 0.00 O ATOM 0 H GLU A 17 3.781 -14.395 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 17 3.513 -12.561 -11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.466 -12.459 -8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.494 -10.946 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.489 -11.862 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.396 -13.126 -9.697 1.00 0.00 H new ATOM 265 N ALA A 18 6.273 -12.195 -9.915 1.00 0.00 N ATOM 266 CA ALA A 18 7.598 -11.588 -9.920 1.00 0.00 C ATOM 267 C ALA A 18 8.349 -11.920 -11.205 1.00 0.00 C ATOM 268 O ALA A 18 8.902 -11.035 -11.859 1.00 0.00 O ATOM 269 CB ALA A 18 8.393 -12.047 -8.707 1.00 0.00 C ATOM 0 H ALA A 18 6.092 -12.806 -9.119 1.00 0.00 H new ATOM 0 HA ALA A 18 7.476 -10.506 -9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.381 -11.586 -8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.870 -11.753 -7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.499 -13.132 -8.730 1.00 0.00 H new ATOM 275 N HIS A 19 8.366 -13.200 -11.561 1.00 0.00 N ATOM 276 CA HIS A 19 9.050 -13.649 -12.768 1.00 0.00 C ATOM 277 C HIS A 19 8.374 -13.088 -14.016 1.00 0.00 C ATOM 278 O HIS A 19 9.020 -12.883 -15.043 1.00 0.00 O ATOM 279 CB HIS A 19 9.073 -15.176 -12.829 1.00 0.00 C ATOM 280 CG HIS A 19 10.439 -15.763 -12.651 1.00 0.00 C ATOM 281 ND1 HIS A 19 11.293 -16.016 -13.704 1.00 0.00 N ATOM 282 CD2 HIS A 19 11.100 -16.145 -11.533 1.00 0.00 C ATOM 283 CE1 HIS A 19 12.419 -16.530 -13.242 1.00 0.00 C ATOM 284 NE2 HIS A 19 12.327 -16.618 -11.927 1.00 0.00 N ATOM 0 H HIS A 19 7.914 -13.945 -11.031 1.00 0.00 H new ATOM 0 HA HIS A 19 10.075 -13.279 -12.734 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.413 -15.572 -12.057 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.670 -15.499 -13.789 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.731 -16.088 -10.520 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.269 -16.827 -13.838 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.051 -16.979 -11.305 1.00 0.00 H new ATOM 292 N GLU A 20 7.071 -12.843 -13.918 1.00 0.00 N ATOM 293 CA GLU A 20 6.309 -12.308 -15.040 1.00 0.00 C ATOM 294 C GLU A 20 6.721 -10.869 -15.340 1.00 0.00 C ATOM 295 O GLU A 20 6.973 -10.512 -16.491 1.00 0.00 O ATOM 296 CB GLU A 20 4.809 -12.369 -14.742 1.00 0.00 C ATOM 297 CG GLU A 20 3.936 -12.087 -15.952 1.00 0.00 C ATOM 298 CD GLU A 20 3.849 -13.269 -16.897 1.00 0.00 C ATOM 299 OE1 GLU A 20 4.909 -13.727 -17.374 1.00 0.00 O ATOM 300 OE2 GLU A 20 2.722 -13.737 -17.161 1.00 0.00 O ATOM 0 H GLU A 20 6.522 -13.006 -13.074 1.00 0.00 H new ATOM 0 HA GLU A 20 6.523 -12.920 -15.916 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.565 -13.357 -14.351 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.573 -11.649 -13.959 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.934 -11.820 -15.618 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.333 -11.226 -16.489 1.00 0.00 H new ATOM 307 N ILE A 21 6.785 -10.048 -14.297 1.00 0.00 N ATOM 308 CA ILE A 21 7.166 -8.650 -14.449 1.00 0.00 C ATOM 309 C ILE A 21 8.647 -8.517 -14.785 1.00 0.00 C ATOM 310 O ILE A 21 9.045 -7.636 -15.548 1.00 0.00 O ATOM 311 CB ILE A 21 6.867 -7.843 -13.171 1.00 0.00 C ATOM 312 CG1 ILE A 21 7.298 -6.386 -13.349 1.00 0.00 C ATOM 313 CG2 ILE A 21 7.569 -8.467 -11.975 1.00 0.00 C ATOM 314 CD1 ILE A 21 6.369 -5.395 -12.684 1.00 0.00 C ATOM 0 H ILE A 21 6.578 -10.327 -13.338 1.00 0.00 H new ATOM 0 HA ILE A 21 6.572 -8.249 -15.270 1.00 0.00 H new ATOM 0 HB ILE A 21 5.793 -7.864 -12.988 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.301 -6.260 -12.942 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.355 -6.160 -14.414 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.348 -7.886 -11.080 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.217 -9.490 -11.840 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.645 -8.473 -12.147 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.737 -4.383 -12.852 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.369 -5.493 -13.107 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.331 -5.594 -11.613 1.00 0.00 H new ATOM 326 N VAL A 22 9.460 -9.399 -14.212 1.00 0.00 N ATOM 327 CA VAL A 22 10.898 -9.383 -14.453 1.00 0.00 C ATOM 328 C VAL A 22 11.221 -9.816 -15.878 1.00 0.00 C ATOM 329 O VAL A 22 12.034 -9.191 -16.559 1.00 0.00 O ATOM 330 CB VAL A 22 11.643 -10.302 -13.467 1.00 0.00 C ATOM 331 CG1 VAL A 22 13.112 -10.414 -13.846 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.488 -9.791 -12.042 1.00 0.00 C ATOM 0 H VAL A 22 9.147 -10.134 -13.577 1.00 0.00 H new ATOM 0 HA VAL A 22 11.232 -8.356 -14.304 1.00 0.00 H new ATOM 0 HB VAL A 22 11.202 -11.298 -13.522 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.622 -11.067 -13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.198 -10.830 -14.850 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.570 -9.425 -13.822 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.021 -10.452 -11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.901 -8.785 -11.969 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.431 -9.769 -11.776 1.00 0.00 H new ATOM 342 N SER A 23 10.579 -10.891 -16.324 1.00 0.00 N ATOM 343 CA SER A 23 10.800 -11.411 -17.668 1.00 0.00 C ATOM 344 C SER A 23 10.239 -10.458 -18.719 1.00 0.00 C ATOM 345 O SER A 23 10.878 -10.191 -19.737 1.00 0.00 O ATOM 346 CB SER A 23 10.153 -12.790 -17.818 1.00 0.00 C ATOM 347 OG SER A 23 10.751 -13.731 -16.942 1.00 0.00 O ATOM 0 H SER A 23 9.901 -11.419 -15.774 1.00 0.00 H new ATOM 0 HA SER A 23 11.875 -11.503 -17.822 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.086 -12.719 -17.608 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.253 -13.132 -18.848 1.00 0.00 H new ATOM 0 HG SER A 23 10.305 -13.695 -16.070 1.00 0.00 H new ATOM 353 N LYS A 24 9.040 -9.946 -18.464 1.00 0.00 N ATOM 354 CA LYS A 24 8.391 -9.021 -19.386 1.00 0.00 C ATOM 355 C LYS A 24 9.168 -7.711 -19.479 1.00 0.00 C ATOM 356 O LYS A 24 9.391 -7.188 -20.570 1.00 0.00 O ATOM 357 CB LYS A 24 6.955 -8.743 -18.935 1.00 0.00 C ATOM 358 CG LYS A 24 6.006 -9.904 -19.179 1.00 0.00 C ATOM 359 CD LYS A 24 5.476 -9.900 -20.603 1.00 0.00 C ATOM 360 CE LYS A 24 4.335 -8.908 -20.771 1.00 0.00 C ATOM 361 NZ LYS A 24 3.015 -9.522 -20.458 1.00 0.00 N ATOM 0 H LYS A 24 8.498 -10.156 -17.626 1.00 0.00 H new ATOM 0 HA LYS A 24 8.373 -9.484 -20.373 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.957 -8.503 -17.872 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.582 -7.863 -19.459 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.522 -10.844 -18.984 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.172 -9.847 -18.479 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.283 -9.648 -21.292 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.132 -10.900 -20.867 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.500 -8.051 -20.119 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.328 -8.533 -21.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.264 -8.814 -20.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.845 -10.325 -21.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.013 -9.857 -19.473 1.00 0.00 H new ATOM 375 N ALA A 25 9.577 -7.188 -18.328 1.00 0.00 N ATOM 376 CA ALA A 25 10.332 -5.942 -18.281 1.00 0.00 C ATOM 377 C ALA A 25 11.658 -6.075 -19.022 1.00 0.00 C ATOM 378 O ALA A 25 12.042 -5.193 -19.790 1.00 0.00 O ATOM 379 CB ALA A 25 10.572 -5.525 -16.837 1.00 0.00 C ATOM 0 H ALA A 25 9.398 -7.608 -17.416 1.00 0.00 H new ATOM 0 HA ALA A 25 9.744 -5.171 -18.778 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.137 -4.593 -16.817 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.615 -5.380 -16.336 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.137 -6.303 -16.323 1.00 0.00 H new ATOM 385 N ARG A 26 12.354 -7.183 -18.786 1.00 0.00 N ATOM 386 CA ARG A 26 13.638 -7.430 -19.430 1.00 0.00 C ATOM 387 C ARG A 26 13.464 -7.623 -20.934 1.00 0.00 C ATOM 388 O ARG A 26 14.233 -7.087 -21.733 1.00 0.00 O ATOM 389 CB ARG A 26 14.310 -8.663 -18.822 1.00 0.00 C ATOM 390 CG ARG A 26 15.580 -9.083 -19.543 1.00 0.00 C ATOM 391 CD ARG A 26 15.358 -10.333 -20.380 1.00 0.00 C ATOM 392 NE ARG A 26 15.895 -11.527 -19.733 1.00 0.00 N ATOM 393 CZ ARG A 26 15.620 -12.765 -20.130 1.00 0.00 C ATOM 394 NH1 ARG A 26 14.819 -12.969 -21.166 1.00 0.00 N ATOM 395 NH2 ARG A 26 16.148 -13.800 -19.490 1.00 0.00 N ATOM 0 H ARG A 26 12.050 -7.923 -18.154 1.00 0.00 H new ATOM 0 HA ARG A 26 14.272 -6.559 -19.263 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.546 -8.460 -17.777 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.604 -9.494 -18.834 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.921 -8.270 -20.184 1.00 0.00 H new ATOM 0 HG3 ARG A 26 16.369 -9.267 -18.814 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.291 -10.466 -20.557 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.830 -10.205 -21.354 1.00 0.00 H new ATOM 0 HE ARG A 26 16.515 -11.404 -18.933 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.412 -12.175 -21.660 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.609 -13.920 -21.469 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.765 -13.646 -18.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.937 -14.750 -19.795 1.00 0.00 H new ATOM 409 N LYS A 27 12.449 -8.391 -21.313 1.00 0.00 N ATOM 410 CA LYS A 27 12.172 -8.655 -22.720 1.00 0.00 C ATOM 411 C LYS A 27 11.862 -7.361 -23.466 1.00 0.00 C ATOM 412 O LYS A 27 12.330 -7.150 -24.585 1.00 0.00 O ATOM 413 CB LYS A 27 10.999 -9.629 -22.857 1.00 0.00 C ATOM 414 CG LYS A 27 10.773 -10.114 -24.278 1.00 0.00 C ATOM 415 CD LYS A 27 9.300 -10.358 -24.557 1.00 0.00 C ATOM 416 CE LYS A 27 8.529 -9.052 -24.668 1.00 0.00 C ATOM 417 NZ LYS A 27 8.477 -8.556 -26.071 1.00 0.00 N ATOM 0 H LYS A 27 11.804 -8.842 -20.665 1.00 0.00 H new ATOM 0 HA LYS A 27 13.062 -9.104 -23.161 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.176 -10.490 -22.212 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.091 -9.144 -22.499 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.160 -9.376 -24.981 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.333 -11.035 -24.442 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.193 -10.924 -25.482 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.874 -10.967 -23.760 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.515 -9.196 -24.296 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.997 -8.299 -24.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.943 -7.664 -26.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.444 -8.394 -26.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.008 -9.263 -26.672 1.00 0.00 H new ATOM 431 N TYR A 28 11.072 -6.497 -22.838 1.00 0.00 N ATOM 432 CA TYR A 28 10.698 -5.224 -23.443 1.00 0.00 C ATOM 433 C TYR A 28 11.903 -4.293 -23.539 1.00 0.00 C ATOM 434 O TYR A 28 12.120 -3.644 -24.563 1.00 0.00 O ATOM 435 CB TYR A 28 9.587 -4.556 -22.631 1.00 0.00 C ATOM 436 CG TYR A 28 8.768 -3.565 -23.426 1.00 0.00 C ATOM 437 CD1 TYR A 28 8.226 -3.912 -24.657 1.00 0.00 C ATOM 438 CD2 TYR A 28 8.535 -2.283 -22.946 1.00 0.00 C ATOM 439 CE1 TYR A 28 7.477 -3.010 -25.388 1.00 0.00 C ATOM 440 CE2 TYR A 28 7.786 -1.374 -23.669 1.00 0.00 C ATOM 441 CZ TYR A 28 7.260 -1.743 -24.890 1.00 0.00 C ATOM 442 OH TYR A 28 6.513 -0.841 -25.614 1.00 0.00 O ATOM 0 H TYR A 28 10.678 -6.655 -21.910 1.00 0.00 H new ATOM 0 HA TYR A 28 10.333 -5.422 -24.451 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.925 -5.326 -22.234 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.030 -4.045 -21.776 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.393 -4.904 -25.050 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.946 -1.991 -21.991 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.064 -3.296 -26.344 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.614 -0.381 -23.281 1.00 0.00 H new ATOM 0 HH TYR A 28 6.454 0.005 -25.122 1.00 0.00 H new ATOM 452 N ARG A 29 12.685 -4.234 -22.466 1.00 0.00 N ATOM 453 CA ARG A 29 13.868 -3.383 -22.428 1.00 0.00 C ATOM 454 C ARG A 29 14.875 -3.805 -23.493 1.00 0.00 C ATOM 455 O ARG A 29 15.406 -2.969 -24.224 1.00 0.00 O ATOM 456 CB ARG A 29 14.518 -3.438 -21.044 1.00 0.00 C ATOM 457 CG ARG A 29 14.058 -2.331 -20.110 1.00 0.00 C ATOM 458 CD ARG A 29 14.074 -2.785 -18.659 1.00 0.00 C ATOM 459 NE ARG A 29 14.665 -1.781 -17.778 1.00 0.00 N ATOM 460 CZ ARG A 29 14.039 -0.671 -17.404 1.00 0.00 C ATOM 461 NH1 ARG A 29 12.808 -0.424 -17.832 1.00 0.00 N ATOM 462 NH2 ARG A 29 14.643 0.195 -16.601 1.00 0.00 N ATOM 0 H ARG A 29 12.520 -4.766 -21.611 1.00 0.00 H new ATOM 0 HA ARG A 29 13.556 -2.359 -22.634 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.298 -4.403 -20.587 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.600 -3.379 -21.158 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.705 -1.462 -20.228 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.050 -2.018 -20.383 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.055 -2.998 -18.334 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.636 -3.716 -18.576 1.00 0.00 H new ATOM 0 HE ARG A 29 15.611 -1.941 -17.431 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.340 -1.087 -18.450 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.329 0.429 -17.543 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.590 0.009 -16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.161 1.047 -16.315 1.00 0.00 H new ATOM 476 N GLN A 30 15.134 -5.106 -23.573 1.00 0.00 N ATOM 477 CA GLN A 30 16.079 -5.638 -24.547 1.00 0.00 C ATOM 478 C GLN A 30 15.561 -5.447 -25.969 1.00 0.00 C ATOM 479 O GLN A 30 16.310 -5.062 -26.867 1.00 0.00 O ATOM 480 CB GLN A 30 16.337 -7.122 -24.282 1.00 0.00 C ATOM 481 CG GLN A 30 17.724 -7.583 -24.701 1.00 0.00 C ATOM 482 CD GLN A 30 17.817 -9.089 -24.852 1.00 0.00 C ATOM 483 OE1 GLN A 30 17.191 -9.840 -24.103 1.00 0.00 O ATOM 484 NE2 GLN A 30 18.601 -9.539 -25.825 1.00 0.00 N ATOM 0 H GLN A 30 14.703 -5.811 -22.975 1.00 0.00 H new ATOM 0 HA GLN A 30 17.015 -5.089 -24.443 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.203 -7.321 -23.219 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.591 -7.713 -24.814 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.990 -7.110 -25.646 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.452 -7.250 -23.962 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.101 -8.881 -26.422 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.703 -10.543 -25.975 1.00 0.00 H new ATOM 493 N ASP A 31 14.275 -5.717 -26.166 1.00 0.00 N ATOM 494 CA ASP A 31 13.656 -5.574 -27.479 1.00 0.00 C ATOM 495 C ASP A 31 13.667 -4.117 -27.929 1.00 0.00 C ATOM 496 O ASP A 31 13.954 -3.815 -29.087 1.00 0.00 O ATOM 497 CB ASP A 31 12.221 -6.101 -27.449 1.00 0.00 C ATOM 498 CG ASP A 31 11.653 -6.312 -28.839 1.00 0.00 C ATOM 499 OD1 ASP A 31 12.266 -7.067 -29.623 1.00 0.00 O ATOM 500 OD2 ASP A 31 10.595 -5.722 -29.143 1.00 0.00 O ATOM 0 H ASP A 31 13.641 -6.036 -25.433 1.00 0.00 H new ATOM 0 HA ASP A 31 14.235 -6.160 -28.193 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.194 -7.043 -26.902 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.590 -5.398 -26.905 1.00 0.00 H new ATOM 505 N LYS A 32 13.352 -3.215 -27.005 1.00 0.00 N ATOM 506 CA LYS A 32 13.325 -1.789 -27.305 1.00 0.00 C ATOM 507 C LYS A 32 14.724 -1.275 -27.629 1.00 0.00 C ATOM 508 O LYS A 32 14.917 -0.541 -28.599 1.00 0.00 O ATOM 509 CB LYS A 32 12.745 -1.009 -26.123 1.00 0.00 C ATOM 510 CG LYS A 32 12.727 0.495 -26.336 1.00 0.00 C ATOM 511 CD LYS A 32 12.290 1.231 -25.081 1.00 0.00 C ATOM 512 CE LYS A 32 10.868 0.863 -24.685 1.00 0.00 C ATOM 513 NZ LYS A 32 10.438 1.565 -23.445 1.00 0.00 N ATOM 0 H LYS A 32 13.112 -3.447 -26.041 1.00 0.00 H new ATOM 0 HA LYS A 32 12.690 -1.639 -28.178 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.728 -1.353 -25.936 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.327 -1.234 -25.229 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.720 0.834 -26.630 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.051 0.739 -27.156 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.970 0.993 -24.263 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.356 2.306 -25.247 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.188 1.114 -25.499 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.800 -0.214 -24.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.464 1.287 -23.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.071 1.306 -22.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.478 2.593 -23.597 1.00 0.00 H new ATOM 527 N LEU A 33 15.697 -1.665 -26.813 1.00 0.00 N ATOM 528 CA LEU A 33 17.079 -1.245 -27.014 1.00 0.00 C ATOM 529 C LEU A 33 17.646 -1.836 -28.301 1.00 0.00 C ATOM 530 O LEU A 33 18.375 -1.169 -29.035 1.00 0.00 O ATOM 531 CB LEU A 33 17.940 -1.669 -25.823 1.00 0.00 C ATOM 532 CG LEU A 33 17.595 -1.021 -24.481 1.00 0.00 C ATOM 533 CD1 LEU A 33 18.126 -1.862 -23.331 1.00 0.00 C ATOM 534 CD2 LEU A 33 18.152 0.393 -24.413 1.00 0.00 C ATOM 0 H LEU A 33 15.554 -2.272 -26.006 1.00 0.00 H new ATOM 0 HA LEU A 33 17.094 -0.158 -27.097 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.864 -2.751 -25.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.981 -1.445 -26.055 1.00 0.00 H new ATOM 0 HG LEU A 33 16.510 -0.966 -24.393 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.871 -1.386 -22.384 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.678 -2.855 -23.370 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.209 -1.949 -23.414 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.897 0.839 -23.451 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.236 0.363 -24.523 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.723 0.992 -25.216 1.00 0.00 H new ATOM 546 N LYS A 34 17.304 -3.092 -28.571 1.00 0.00 N ATOM 547 CA LYS A 34 17.775 -3.773 -29.771 1.00 0.00 C ATOM 548 C LYS A 34 17.149 -3.166 -31.022 1.00 0.00 C ATOM 549 O LYS A 34 17.840 -2.894 -32.003 1.00 0.00 O ATOM 550 CB LYS A 34 17.448 -5.266 -29.696 1.00 0.00 C ATOM 551 CG LYS A 34 18.190 -6.103 -30.724 1.00 0.00 C ATOM 552 CD LYS A 34 18.901 -7.280 -30.077 1.00 0.00 C ATOM 553 CE LYS A 34 20.360 -6.960 -29.789 1.00 0.00 C ATOM 554 NZ LYS A 34 20.505 -6.005 -28.656 1.00 0.00 N ATOM 0 H LYS A 34 16.702 -3.659 -27.974 1.00 0.00 H new ATOM 0 HA LYS A 34 18.856 -3.647 -29.830 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.690 -5.633 -28.698 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.375 -5.402 -29.835 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.487 -6.468 -31.473 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.916 -5.480 -31.246 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.396 -7.546 -29.149 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.840 -8.148 -30.733 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.895 -7.881 -29.558 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.822 -6.538 -30.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 21.483 -6.031 -28.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.280 -5.043 -28.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.854 -6.273 -27.891 1.00 0.00 H new ATOM 568 N GLN A 35 15.837 -2.956 -30.979 1.00 0.00 N ATOM 569 CA GLN A 35 15.119 -2.381 -32.110 1.00 0.00 C ATOM 570 C GLN A 35 15.611 -0.968 -32.406 1.00 0.00 C ATOM 571 O GLN A 35 15.827 -0.605 -33.562 1.00 0.00 O ATOM 572 CB GLN A 35 13.615 -2.362 -31.830 1.00 0.00 C ATOM 573 CG GLN A 35 12.907 -3.649 -32.220 1.00 0.00 C ATOM 574 CD GLN A 35 12.368 -3.613 -33.636 1.00 0.00 C ATOM 575 OE1 GLN A 35 11.235 -3.191 -33.871 1.00 0.00 O ATOM 576 NE2 GLN A 35 13.178 -4.056 -34.590 1.00 0.00 N ATOM 0 H GLN A 35 15.250 -3.175 -30.174 1.00 0.00 H new ATOM 0 HA GLN A 35 15.311 -3.003 -32.984 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.454 -2.176 -30.768 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.164 -1.530 -32.371 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.600 -4.485 -32.120 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.085 -3.831 -31.527 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.109 -4.397 -34.351 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.869 -4.055 -35.562 1.00 0.00 H new ATOM 585 N ALA A 36 15.787 -0.175 -31.354 1.00 0.00 N ATOM 586 CA ALA A 36 16.255 1.197 -31.501 1.00 0.00 C ATOM 587 C ALA A 36 17.696 1.235 -31.999 1.00 0.00 C ATOM 588 O ALA A 36 18.030 1.994 -32.908 1.00 0.00 O ATOM 589 CB ALA A 36 16.132 1.941 -30.180 1.00 0.00 C ATOM 0 H ALA A 36 15.612 -0.460 -30.390 1.00 0.00 H new ATOM 0 HA ALA A 36 15.628 1.691 -32.243 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.485 2.965 -30.305 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.089 1.953 -29.865 1.00 0.00 H new ATOM 0 HB3 ALA A 36 16.734 1.439 -29.422 1.00 0.00 H new ATOM 595 N LYS A 37 18.547 0.411 -31.397 1.00 0.00 N ATOM 596 CA LYS A 37 19.953 0.349 -31.779 1.00 0.00 C ATOM 597 C LYS A 37 20.099 0.146 -33.284 1.00 0.00 C ATOM 598 O LYS A 37 20.871 0.843 -33.943 1.00 0.00 O ATOM 599 CB LYS A 37 20.656 -0.785 -31.030 1.00 0.00 C ATOM 600 CG LYS A 37 21.251 -0.358 -29.700 1.00 0.00 C ATOM 601 CD LYS A 37 22.675 -0.865 -29.537 1.00 0.00 C ATOM 602 CE LYS A 37 22.701 -2.310 -29.066 1.00 0.00 C ATOM 603 NZ LYS A 37 23.232 -3.226 -30.114 1.00 0.00 N ATOM 0 H LYS A 37 18.287 -0.224 -30.642 1.00 0.00 H new ATOM 0 HA LYS A 37 20.419 1.297 -31.511 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.944 -1.592 -30.858 1.00 0.00 H new ATOM 0 HB3 LYS A 37 21.448 -1.189 -31.660 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.241 0.730 -29.628 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.633 -0.737 -28.886 1.00 0.00 H new ATOM 0 HD2 LYS A 37 23.203 -0.781 -30.487 1.00 0.00 H new ATOM 0 HD3 LYS A 37 23.206 -0.238 -28.821 1.00 0.00 H new ATOM 0 HE2 LYS A 37 23.316 -2.389 -28.169 1.00 0.00 H new ATOM 0 HE3 LYS A 37 21.693 -2.620 -28.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 23.233 -4.202 -29.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 22.631 -3.170 -30.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 24.203 -2.946 -30.360 1.00 0.00 H new ATOM 617 N THR A 38 19.351 -0.812 -33.823 1.00 0.00 N ATOM 618 CA THR A 38 19.398 -1.106 -35.250 1.00 0.00 C ATOM 619 C THR A 38 19.006 0.114 -36.076 1.00 0.00 C ATOM 620 O THR A 38 19.653 0.434 -37.073 1.00 0.00 O ATOM 621 CB THR A 38 18.466 -2.278 -35.613 1.00 0.00 C ATOM 622 OG1 THR A 38 17.396 -2.365 -34.665 1.00 0.00 O ATOM 623 CG2 THR A 38 19.234 -3.591 -35.641 1.00 0.00 C ATOM 0 H THR A 38 18.706 -1.397 -33.293 1.00 0.00 H new ATOM 0 HA THR A 38 20.426 -1.383 -35.482 1.00 0.00 H new ATOM 0 HB THR A 38 18.056 -2.094 -36.606 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.978 -1.484 -34.561 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.555 -4.404 -35.899 1.00 0.00 H new ATOM 0 HG22 THR A 38 20.029 -3.532 -36.384 1.00 0.00 H new ATOM 0 HG23 THR A 38 19.669 -3.779 -34.659 1.00 0.00 H new ATOM 631 N ASP A 39 17.945 0.792 -35.653 1.00 0.00 N ATOM 632 CA ASP A 39 17.468 1.980 -36.353 1.00 0.00 C ATOM 633 C ASP A 39 18.555 3.048 -36.413 1.00 0.00 C ATOM 634 O ASP A 39 18.780 3.661 -37.457 1.00 0.00 O ATOM 635 CB ASP A 39 16.223 2.539 -35.663 1.00 0.00 C ATOM 636 CG ASP A 39 15.179 3.019 -36.652 1.00 0.00 C ATOM 637 OD1 ASP A 39 15.532 3.227 -37.832 1.00 0.00 O ATOM 638 OD2 ASP A 39 14.010 3.187 -36.247 1.00 0.00 O ATOM 0 H ASP A 39 17.399 0.540 -34.829 1.00 0.00 H new ATOM 0 HA ASP A 39 17.210 1.692 -37.372 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.788 1.769 -35.025 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.511 3.366 -35.014 1.00 0.00 H new ATOM 643 N ALA A 40 19.226 3.267 -35.287 1.00 0.00 N ATOM 644 CA ALA A 40 20.290 4.260 -35.212 1.00 0.00 C ATOM 645 C ALA A 40 21.447 3.896 -36.135 1.00 0.00 C ATOM 646 O ALA A 40 21.950 4.739 -36.877 1.00 0.00 O ATOM 647 CB ALA A 40 20.780 4.401 -33.778 1.00 0.00 C ATOM 0 H ALA A 40 19.051 2.770 -34.414 1.00 0.00 H new ATOM 0 HA ALA A 40 19.884 5.217 -35.542 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.575 5.146 -33.737 1.00 0.00 H new ATOM 0 HB2 ALA A 40 19.954 4.716 -33.141 1.00 0.00 H new ATOM 0 HB3 ALA A 40 21.163 3.442 -33.428 1.00 0.00 H new ATOM 653 N ALA A 41 21.865 2.636 -36.084 1.00 0.00 N ATOM 654 CA ALA A 41 22.963 2.160 -36.917 1.00 0.00 C ATOM 655 C ALA A 41 22.665 2.382 -38.396 1.00 0.00 C ATOM 656 O ALA A 41 23.514 2.866 -39.145 1.00 0.00 O ATOM 657 CB ALA A 41 23.232 0.688 -36.645 1.00 0.00 C ATOM 0 H ALA A 41 21.460 1.926 -35.474 1.00 0.00 H new ATOM 0 HA ALA A 41 23.855 2.733 -36.663 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.054 0.346 -37.274 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.497 0.554 -35.596 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.337 0.107 -36.870 1.00 0.00 H new ATOM 663 N LYS A 42 21.455 2.024 -38.811 1.00 0.00 N ATOM 664 CA LYS A 42 21.044 2.183 -40.201 1.00 0.00 C ATOM 665 C LYS A 42 20.926 3.659 -40.567 1.00 0.00 C ATOM 666 O LYS A 42 21.221 4.053 -41.695 1.00 0.00 O ATOM 667 CB LYS A 42 19.707 1.479 -40.443 1.00 0.00 C ATOM 668 CG LYS A 42 19.290 1.450 -41.903 1.00 0.00 C ATOM 669 CD LYS A 42 17.833 1.845 -42.075 1.00 0.00 C ATOM 670 CE LYS A 42 17.627 3.333 -41.839 1.00 0.00 C ATOM 671 NZ LYS A 42 16.218 3.745 -42.090 1.00 0.00 N ATOM 0 H LYS A 42 20.741 1.621 -38.204 1.00 0.00 H new ATOM 0 HA LYS A 42 21.807 1.729 -40.834 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.772 0.456 -40.072 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.932 1.980 -39.862 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.922 2.128 -42.476 1.00 0.00 H new ATOM 0 HG3 LYS A 42 19.447 0.450 -42.307 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.501 1.586 -43.080 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.216 1.276 -41.379 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.900 3.579 -40.813 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.292 3.900 -42.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.119 4.766 -41.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.965 3.534 -43.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.585 3.223 -41.451 1.00 0.00 H new ATOM 685 N GLU A 43 20.495 4.470 -39.607 1.00 0.00 N ATOM 686 CA GLU A 43 20.340 5.903 -39.830 1.00 0.00 C ATOM 687 C GLU A 43 21.686 6.555 -40.131 1.00 0.00 C ATOM 688 O GLU A 43 21.808 7.348 -41.066 1.00 0.00 O ATOM 689 CB GLU A 43 19.702 6.566 -38.608 1.00 0.00 C ATOM 690 CG GLU A 43 19.606 8.079 -38.716 1.00 0.00 C ATOM 691 CD GLU A 43 18.565 8.666 -37.783 1.00 0.00 C ATOM 692 OE1 GLU A 43 18.775 8.611 -36.553 1.00 0.00 O ATOM 693 OE2 GLU A 43 17.542 9.179 -38.281 1.00 0.00 O ATOM 0 H GLU A 43 20.247 4.160 -38.667 1.00 0.00 H new ATOM 0 HA GLU A 43 19.687 6.042 -40.692 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.702 6.156 -38.464 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.282 6.310 -37.722 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.578 8.518 -38.492 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.363 8.351 -39.743 1.00 0.00 H new ATOM 700 N ILE A 44 22.693 6.217 -39.333 1.00 0.00 N ATOM 701 CA ILE A 44 24.030 6.769 -39.515 1.00 0.00 C ATOM 702 C ILE A 44 24.681 6.227 -40.783 1.00 0.00 C ATOM 703 O ILE A 44 25.273 6.978 -41.558 1.00 0.00 O ATOM 704 CB ILE A 44 24.937 6.453 -38.311 1.00 0.00 C ATOM 705 CG1 ILE A 44 24.330 7.019 -37.025 1.00 0.00 C ATOM 706 CG2 ILE A 44 26.332 7.017 -38.537 1.00 0.00 C ATOM 707 CD1 ILE A 44 24.052 8.504 -37.091 1.00 0.00 C ATOM 0 H ILE A 44 22.609 5.564 -38.554 1.00 0.00 H new ATOM 0 HA ILE A 44 23.916 7.850 -39.601 1.00 0.00 H new ATOM 0 HB ILE A 44 25.016 5.371 -38.208 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.400 6.493 -36.809 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.008 6.821 -36.195 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.962 6.786 -37.678 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.764 6.572 -39.433 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.272 8.098 -38.662 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.623 8.836 -36.146 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.983 9.041 -37.276 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.350 8.707 -37.899 1.00 0.00 H new ATOM 719 N ASP A 45 24.565 4.920 -40.988 1.00 0.00 N ATOM 720 CA ASP A 45 25.140 4.277 -42.165 1.00 0.00 C ATOM 721 C ASP A 45 24.493 4.803 -43.442 1.00 0.00 C ATOM 722 O ASP A 45 25.176 5.072 -44.430 1.00 0.00 O ATOM 723 CB ASP A 45 24.968 2.760 -42.078 1.00 0.00 C ATOM 724 CG ASP A 45 26.088 2.093 -41.304 1.00 0.00 C ATOM 725 OD1 ASP A 45 26.596 2.711 -40.345 1.00 0.00 O ATOM 726 OD2 ASP A 45 26.456 0.953 -41.657 1.00 0.00 O ATOM 0 H ASP A 45 24.079 4.285 -40.355 1.00 0.00 H new ATOM 0 HA ASP A 45 26.204 4.513 -42.195 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.015 2.532 -41.601 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.928 2.344 -43.085 1.00 0.00 H new ATOM 731 N SER A 46 23.172 4.947 -43.414 1.00 0.00 N ATOM 732 CA SER A 46 22.432 5.436 -44.571 1.00 0.00 C ATOM 733 C SER A 46 22.773 6.895 -44.858 1.00 0.00 C ATOM 734 O SER A 46 23.023 7.273 -46.003 1.00 0.00 O ATOM 735 CB SER A 46 20.926 5.289 -44.340 1.00 0.00 C ATOM 736 OG SER A 46 20.192 5.717 -45.474 1.00 0.00 O ATOM 0 H SER A 46 22.592 4.732 -42.603 1.00 0.00 H new ATOM 0 HA SER A 46 22.721 4.837 -45.435 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.688 4.248 -44.121 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.630 5.874 -43.469 1.00 0.00 H new ATOM 0 HG SER A 46 19.233 5.612 -45.302 1.00 0.00 H new ATOM 742 N TYR A 47 22.782 7.711 -43.809 1.00 0.00 N ATOM 743 CA TYR A 47 23.091 9.129 -43.947 1.00 0.00 C ATOM 744 C TYR A 47 24.517 9.330 -44.449 1.00 0.00 C ATOM 745 O TYR A 47 24.788 10.231 -45.243 1.00 0.00 O ATOM 746 CB TYR A 47 22.903 9.845 -42.608 1.00 0.00 C ATOM 747 CG TYR A 47 21.535 10.466 -42.440 1.00 0.00 C ATOM 748 CD1 TYR A 47 21.027 11.345 -43.389 1.00 0.00 C ATOM 749 CD2 TYR A 47 20.749 10.173 -41.332 1.00 0.00 C ATOM 750 CE1 TYR A 47 19.778 11.915 -43.239 1.00 0.00 C ATOM 751 CE2 TYR A 47 19.498 10.737 -41.174 1.00 0.00 C ATOM 752 CZ TYR A 47 19.017 11.608 -42.130 1.00 0.00 C ATOM 753 OH TYR A 47 17.771 12.172 -41.977 1.00 0.00 O ATOM 0 H TYR A 47 22.579 7.414 -42.854 1.00 0.00 H new ATOM 0 HA TYR A 47 22.405 9.555 -44.679 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.072 9.135 -41.799 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.660 10.623 -42.512 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.619 11.587 -44.259 1.00 0.00 H new ATOM 0 HD2 TYR A 47 21.123 9.492 -40.581 1.00 0.00 H new ATOM 0 HE1 TYR A 47 19.399 12.597 -43.986 1.00 0.00 H new ATOM 0 HE2 TYR A 47 18.900 10.498 -40.307 1.00 0.00 H new ATOM 0 HH TYR A 47 17.367 11.851 -41.144 1.00 0.00 H new ATOM 763 N LYS A 48 25.427 8.483 -43.979 1.00 0.00 N ATOM 764 CA LYS A 48 26.827 8.564 -44.380 1.00 0.00 C ATOM 765 C LYS A 48 26.999 8.158 -45.840 1.00 0.00 C ATOM 766 O LYS A 48 27.717 8.814 -46.596 1.00 0.00 O ATOM 767 CB LYS A 48 27.687 7.669 -43.486 1.00 0.00 C ATOM 768 CG LYS A 48 28.427 8.427 -42.397 1.00 0.00 C ATOM 769 CD LYS A 48 27.472 9.226 -41.526 1.00 0.00 C ATOM 770 CE LYS A 48 27.626 10.721 -41.756 1.00 0.00 C ATOM 771 NZ LYS A 48 27.166 11.513 -40.581 1.00 0.00 N ATOM 0 H LYS A 48 25.220 7.733 -43.320 1.00 0.00 H new ATOM 0 HA LYS A 48 27.152 9.598 -44.268 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.051 6.914 -43.024 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.412 7.140 -44.105 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.984 7.724 -41.778 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.156 9.099 -42.851 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.446 8.928 -41.741 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.657 8.997 -40.476 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.671 10.951 -41.962 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.055 11.014 -42.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 27.287 12.527 -40.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.162 11.313 -40.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 27.728 11.252 -39.745 1.00 0.00 H new ATOM 785 N ILE A 49 26.336 7.075 -46.231 1.00 0.00 N ATOM 786 CA ILE A 49 26.414 6.584 -47.601 1.00 0.00 C ATOM 787 C ILE A 49 25.690 7.520 -48.562 1.00 0.00 C ATOM 788 O ILE A 49 26.111 7.699 -49.705 1.00 0.00 O ATOM 789 CB ILE A 49 25.814 5.171 -47.728 1.00 0.00 C ATOM 790 CG1 ILE A 49 26.562 4.192 -46.821 1.00 0.00 C ATOM 791 CG2 ILE A 49 25.862 4.704 -49.175 1.00 0.00 C ATOM 792 CD1 ILE A 49 25.726 3.006 -46.393 1.00 0.00 C ATOM 0 H ILE A 49 25.738 6.521 -45.618 1.00 0.00 H new ATOM 0 HA ILE A 49 27.471 6.545 -47.863 1.00 0.00 H new ATOM 0 HB ILE A 49 24.771 5.205 -47.412 1.00 0.00 H new ATOM 0 HG12 ILE A 49 27.449 3.832 -47.342 1.00 0.00 H new ATOM 0 HG13 ILE A 49 26.907 4.722 -45.933 1.00 0.00 H new ATOM 0 HG21 ILE A 49 25.435 3.704 -49.249 1.00 0.00 H new ATOM 0 HG22 ILE A 49 25.289 5.391 -49.798 1.00 0.00 H new ATOM 0 HG23 ILE A 49 26.897 4.682 -49.516 1.00 0.00 H new ATOM 0 HD11 ILE A 49 26.320 2.354 -45.752 1.00 0.00 H new ATOM 0 HD12 ILE A 49 24.852 3.356 -45.844 1.00 0.00 H new ATOM 0 HD13 ILE A 49 25.403 2.452 -47.274 1.00 0.00 H new ATOM 804 N GLN A 50 24.600 8.116 -48.090 1.00 0.00 N ATOM 805 CA GLN A 50 23.818 9.036 -48.909 1.00 0.00 C ATOM 806 C GLN A 50 24.577 10.337 -49.143 1.00 0.00 C ATOM 807 O GLN A 50 24.628 10.846 -50.263 1.00 0.00 O ATOM 808 CB GLN A 50 22.473 9.329 -48.240 1.00 0.00 C ATOM 809 CG GLN A 50 21.664 10.404 -48.948 1.00 0.00 C ATOM 810 CD GLN A 50 20.260 9.946 -49.291 1.00 0.00 C ATOM 811 OE1 GLN A 50 19.449 9.675 -48.406 1.00 0.00 O ATOM 812 NE2 GLN A 50 19.966 9.857 -50.583 1.00 0.00 N ATOM 0 H GLN A 50 24.238 7.979 -47.146 1.00 0.00 H new ATOM 0 HA GLN A 50 23.641 8.562 -49.875 1.00 0.00 H new ATOM 0 HB2 GLN A 50 21.887 8.410 -48.203 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.649 9.637 -47.209 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.609 11.289 -48.314 1.00 0.00 H new ATOM 0 HG3 GLN A 50 22.180 10.699 -49.862 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.669 10.092 -51.283 1.00 0.00 H new ATOM 0 HE22 GLN A 50 19.037 9.554 -50.875 1.00 0.00 H new ATOM 821 N LYS A 51 25.167 10.872 -48.079 1.00 0.00 N ATOM 822 CA LYS A 51 25.926 12.114 -48.167 1.00 0.00 C ATOM 823 C LYS A 51 27.211 11.911 -48.963 1.00 0.00 C ATOM 824 O LYS A 51 27.591 12.757 -49.772 1.00 0.00 O ATOM 825 CB LYS A 51 26.257 12.634 -46.767 1.00 0.00 C ATOM 826 CG LYS A 51 26.256 14.149 -46.664 1.00 0.00 C ATOM 827 CD LYS A 51 24.848 14.713 -46.764 1.00 0.00 C ATOM 828 CE LYS A 51 24.752 15.782 -47.843 1.00 0.00 C ATOM 829 NZ LYS A 51 23.552 16.645 -47.662 1.00 0.00 N ATOM 0 H LYS A 51 25.134 10.464 -47.145 1.00 0.00 H new ATOM 0 HA LYS A 51 25.311 12.850 -48.685 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.534 12.230 -46.058 1.00 0.00 H new ATOM 0 HB3 LYS A 51 27.237 12.259 -46.472 1.00 0.00 H new ATOM 0 HG2 LYS A 51 26.704 14.451 -45.717 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.875 14.569 -47.457 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.147 13.908 -46.984 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.555 15.137 -45.803 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.650 16.400 -47.824 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.713 15.307 -48.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.522 17.360 -48.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.694 16.060 -47.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.601 17.119 -46.737 1.00 0.00 H new ATOM 843 N ASP A 52 27.874 10.784 -48.730 1.00 0.00 N ATOM 844 CA ASP A 52 29.116 10.469 -49.427 1.00 0.00 C ATOM 845 C ASP A 52 28.861 10.242 -50.914 1.00 0.00 C ATOM 846 O ASP A 52 29.610 10.724 -51.764 1.00 0.00 O ATOM 847 CB ASP A 52 29.770 9.230 -48.813 1.00 0.00 C ATOM 848 CG ASP A 52 31.203 9.045 -49.271 1.00 0.00 C ATOM 849 OD1 ASP A 52 31.839 10.051 -49.651 1.00 0.00 O ATOM 850 OD2 ASP A 52 31.689 7.895 -49.250 1.00 0.00 O ATOM 0 H ASP A 52 27.572 10.073 -48.064 1.00 0.00 H new ATOM 0 HA ASP A 52 29.791 11.318 -49.318 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.747 9.311 -47.726 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.190 8.347 -49.079 1.00 0.00 H new ATOM 855 N LYS A 53 27.800 9.503 -51.221 1.00 0.00 N ATOM 856 CA LYS A 53 27.445 9.211 -52.605 1.00 0.00 C ATOM 857 C LYS A 53 27.016 10.479 -53.336 1.00 0.00 C ATOM 858 O LYS A 53 27.401 10.705 -54.482 1.00 0.00 O ATOM 859 CB LYS A 53 26.321 8.174 -52.656 1.00 0.00 C ATOM 860 CG LYS A 53 26.142 7.539 -54.024 1.00 0.00 C ATOM 861 CD LYS A 53 24.798 6.840 -54.143 1.00 0.00 C ATOM 862 CE LYS A 53 24.929 5.495 -54.841 1.00 0.00 C ATOM 863 NZ LYS A 53 24.919 5.635 -56.323 1.00 0.00 N ATOM 0 H LYS A 53 27.171 9.095 -50.530 1.00 0.00 H new ATOM 0 HA LYS A 53 28.326 8.807 -53.103 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.526 7.392 -51.925 1.00 0.00 H new ATOM 0 HB3 LYS A 53 25.386 8.649 -52.360 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.224 8.305 -54.795 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.943 6.821 -54.201 1.00 0.00 H new ATOM 0 HD2 LYS A 53 24.373 6.696 -53.150 1.00 0.00 H new ATOM 0 HD3 LYS A 53 24.105 7.473 -54.698 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.855 5.012 -54.528 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.111 4.845 -54.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.010 4.696 -56.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.025 6.072 -56.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.715 6.235 -56.620 1.00 0.00 H new ATOM 877 N GLU A 54 26.218 11.302 -52.664 1.00 0.00 N ATOM 878 CA GLU A 54 25.738 12.548 -53.251 1.00 0.00 C ATOM 879 C GLU A 54 26.897 13.500 -53.529 1.00 0.00 C ATOM 880 O GLU A 54 26.968 14.115 -54.595 1.00 0.00 O ATOM 881 CB GLU A 54 24.724 13.219 -52.321 1.00 0.00 C ATOM 882 CG GLU A 54 23.845 14.244 -53.017 1.00 0.00 C ATOM 883 CD GLU A 54 23.219 15.229 -52.049 1.00 0.00 C ATOM 884 OE1 GLU A 54 23.964 15.829 -51.247 1.00 0.00 O ATOM 885 OE2 GLU A 54 21.982 15.399 -52.094 1.00 0.00 O ATOM 0 H GLU A 54 25.890 11.129 -51.714 1.00 0.00 H new ATOM 0 HA GLU A 54 25.251 12.310 -54.197 1.00 0.00 H new ATOM 0 HB2 GLU A 54 24.090 12.453 -51.875 1.00 0.00 H new ATOM 0 HB3 GLU A 54 25.258 13.705 -51.505 1.00 0.00 H new ATOM 0 HG2 GLU A 54 24.440 14.789 -53.750 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.057 13.728 -53.566 1.00 0.00 H new ATOM 892 N LEU A 55 27.803 13.618 -52.565 1.00 0.00 N ATOM 893 CA LEU A 55 28.959 14.496 -52.705 1.00 0.00 C ATOM 894 C LEU A 55 29.959 13.925 -53.705 1.00 0.00 C ATOM 895 O LEU A 55 30.674 14.668 -54.379 1.00 0.00 O ATOM 896 CB LEU A 55 29.637 14.699 -51.348 1.00 0.00 C ATOM 897 CG LEU A 55 29.276 15.984 -50.603 1.00 0.00 C ATOM 898 CD1 LEU A 55 29.720 17.204 -51.395 1.00 0.00 C ATOM 899 CD2 LEU A 55 27.780 16.039 -50.329 1.00 0.00 C ATOM 0 H LEU A 55 27.759 13.117 -51.678 1.00 0.00 H new ATOM 0 HA LEU A 55 28.610 15.459 -53.078 1.00 0.00 H new ATOM 0 HB2 LEU A 55 29.389 13.851 -50.710 1.00 0.00 H new ATOM 0 HB3 LEU A 55 30.717 14.680 -51.497 1.00 0.00 H new ATOM 0 HG LEU A 55 29.801 15.987 -49.648 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.454 18.109 -50.849 1.00 0.00 H new ATOM 0 HD12 LEU A 55 30.800 17.171 -51.539 1.00 0.00 H new ATOM 0 HD13 LEU A 55 29.224 17.208 -52.366 1.00 0.00 H new ATOM 0 HD21 LEU A 55 27.541 16.960 -49.798 1.00 0.00 H new ATOM 0 HD22 LEU A 55 27.236 16.013 -51.273 1.00 0.00 H new ATOM 0 HD23 LEU A 55 27.490 15.183 -49.719 1.00 0.00 H new ATOM 911 N LYS A 56 30.002 12.600 -53.799 1.00 0.00 N ATOM 912 CA LYS A 56 30.911 11.928 -54.720 1.00 0.00 C ATOM 913 C LYS A 56 30.707 12.426 -56.147 1.00 0.00 C ATOM 914 O LYS A 56 31.639 12.432 -56.951 1.00 0.00 O ATOM 915 CB LYS A 56 30.699 10.413 -54.663 1.00 0.00 C ATOM 916 CG LYS A 56 31.813 9.670 -53.945 1.00 0.00 C ATOM 917 CD LYS A 56 32.895 9.218 -54.912 1.00 0.00 C ATOM 918 CE LYS A 56 32.768 7.738 -55.237 1.00 0.00 C ATOM 919 NZ LYS A 56 33.476 6.888 -54.241 1.00 0.00 N ATOM 0 H LYS A 56 29.418 11.971 -53.249 1.00 0.00 H new ATOM 0 HA LYS A 56 31.932 12.159 -54.416 1.00 0.00 H new ATOM 0 HB2 LYS A 56 29.753 10.205 -54.162 1.00 0.00 H new ATOM 0 HB3 LYS A 56 30.613 10.028 -55.679 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.251 10.316 -53.184 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.400 8.803 -53.429 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.830 9.800 -55.831 1.00 0.00 H new ATOM 0 HD3 LYS A 56 33.876 9.414 -54.479 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.714 7.462 -55.266 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.175 7.548 -56.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.365 5.886 -54.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.487 7.133 -54.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.071 7.050 -53.297 1.00 0.00 H new ATOM 933 N GLU A 57 29.483 12.844 -56.454 1.00 0.00 N ATOM 934 CA GLU A 57 29.159 13.345 -57.785 1.00 0.00 C ATOM 935 C GLU A 57 28.990 14.862 -57.768 1.00 0.00 C ATOM 936 O GLU A 57 28.375 15.420 -56.859 1.00 0.00 O ATOM 937 CB GLU A 57 27.881 12.684 -58.305 1.00 0.00 C ATOM 938 CG GLU A 57 26.646 13.015 -57.483 1.00 0.00 C ATOM 939 CD GLU A 57 25.368 12.500 -58.117 1.00 0.00 C ATOM 940 OE1 GLU A 57 25.112 12.837 -59.292 1.00 0.00 O ATOM 941 OE2 GLU A 57 24.625 11.761 -57.439 1.00 0.00 O ATOM 0 H GLU A 57 28.700 12.846 -55.800 1.00 0.00 H new ATOM 0 HA GLU A 57 29.985 13.096 -58.451 1.00 0.00 H new ATOM 0 HB2 GLU A 57 27.715 12.995 -59.336 1.00 0.00 H new ATOM 0 HB3 GLU A 57 28.020 11.603 -58.317 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.751 12.586 -56.487 1.00 0.00 H new ATOM 0 HG3 GLU A 57 26.576 14.096 -57.359 1.00 0.00 H new ATOM 948 N PHE A 58 29.540 15.523 -58.781 1.00 0.00 N ATOM 949 CA PHE A 58 29.453 16.975 -58.884 1.00 0.00 C ATOM 950 C PHE A 58 28.690 17.387 -60.140 1.00 0.00 C ATOM 951 O PHE A 58 27.667 18.066 -60.062 1.00 0.00 O ATOM 952 CB PHE A 58 30.853 17.592 -58.898 1.00 0.00 C ATOM 953 CG PHE A 58 31.627 17.352 -57.634 1.00 0.00 C ATOM 954 CD1 PHE A 58 31.141 17.794 -56.414 1.00 0.00 C ATOM 955 CD2 PHE A 58 32.841 16.685 -57.665 1.00 0.00 C ATOM 956 CE1 PHE A 58 31.851 17.574 -55.248 1.00 0.00 C ATOM 957 CE2 PHE A 58 33.555 16.462 -56.503 1.00 0.00 C ATOM 958 CZ PHE A 58 33.060 16.908 -55.293 1.00 0.00 C ATOM 0 H PHE A 58 30.051 15.076 -59.542 1.00 0.00 H new ATOM 0 HA PHE A 58 28.910 17.344 -58.014 1.00 0.00 H new ATOM 0 HB2 PHE A 58 31.412 17.184 -59.740 1.00 0.00 H new ATOM 0 HB3 PHE A 58 30.766 18.666 -59.063 1.00 0.00 H new ATOM 0 HD1 PHE A 58 30.197 18.316 -56.373 1.00 0.00 H new ATOM 0 HD2 PHE A 58 33.234 16.335 -58.608 1.00 0.00 H new ATOM 0 HE1 PHE A 58 31.461 17.923 -54.303 1.00 0.00 H new ATOM 0 HE2 PHE A 58 34.499 15.939 -56.541 1.00 0.00 H new ATOM 0 HZ PHE A 58 33.617 16.736 -54.384 1.00 0.00 H new ATOM 968 N GLU A 59 29.197 16.970 -61.296 1.00 0.00 N ATOM 969 CA GLU A 59 28.565 17.297 -62.568 1.00 0.00 C ATOM 970 C GLU A 59 28.701 16.142 -63.556 1.00 0.00 C ATOM 971 O GLU A 59 28.910 16.354 -64.751 1.00 0.00 O ATOM 972 CB GLU A 59 29.184 18.565 -63.161 1.00 0.00 C ATOM 973 CG GLU A 59 30.667 18.432 -63.467 1.00 0.00 C ATOM 974 CD GLU A 59 31.333 19.771 -63.716 1.00 0.00 C ATOM 975 OE1 GLU A 59 31.027 20.402 -64.749 1.00 0.00 O ATOM 976 OE2 GLU A 59 32.161 20.187 -62.878 1.00 0.00 O ATOM 0 H GLU A 59 30.043 16.406 -61.377 1.00 0.00 H new ATOM 0 HA GLU A 59 27.505 17.472 -62.383 1.00 0.00 H new ATOM 0 HB2 GLU A 59 28.654 18.824 -64.078 1.00 0.00 H new ATOM 0 HB3 GLU A 59 29.038 19.391 -62.465 1.00 0.00 H new ATOM 0 HG2 GLU A 59 31.163 17.933 -62.634 1.00 0.00 H new ATOM 0 HG3 GLU A 59 30.798 17.797 -64.343 1.00 0.00 H new ATOM 983 N CYS A 60 28.582 14.920 -63.048 1.00 0.00 N ATOM 984 CA CYS A 60 28.693 13.730 -63.885 1.00 0.00 C ATOM 985 C CYS A 60 27.409 12.909 -63.835 1.00 0.00 C ATOM 986 O CYS A 60 26.425 13.314 -63.217 1.00 0.00 O ATOM 987 CB CYS A 60 29.878 12.874 -63.435 1.00 0.00 C ATOM 988 SG CYS A 60 30.817 12.141 -64.795 1.00 0.00 S ATOM 0 H CYS A 60 28.409 14.727 -62.061 1.00 0.00 H new ATOM 0 HA CYS A 60 28.857 14.053 -64.913 1.00 0.00 H new ATOM 0 HB2 CYS A 60 30.549 13.488 -62.834 1.00 0.00 H new ATOM 0 HB3 CYS A 60 29.512 12.076 -62.789 1.00 0.00 H new ATOM 0 HG CYS A 60 31.799 11.438 -64.315 1.00 0.00 H new TER 994 CYS A 60