USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 839 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 20 GLN :FLIP amide:sc= -9.81! C(o=-17!,f=-14!) USER MOD Set 1.2: A 62 CYS SG : rot 110:sc= -3.77! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.492 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -138:sc= -2.2! (180deg=-4.47!) USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= 0.239 (180deg=-0.502) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -5.36! C(o=-9.7!,f=-5.4!) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0129 (180deg=-0.185) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -7.83! C(o=-7.8!,f=-14!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.49 X(o=-3.5,f=-3) USER MOD Single : A 32 GLN : amide:sc= -2.63 X(o=-2.6,f=-2.3) USER MOD Single : A 36 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0993 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0571 USER MOD Single : A 57 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -0.0439 (180deg=-0.412) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -35:sc= 0.126 USER MOD Single : A 82 LYS NZ :NH3+ 156:sc=-0.00514 (180deg=-0.521) USER MOD Single : A 83 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.8!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.649 -13.425 7.807 1.00 0.00 N ATOM 2 CA ALA A 1 -17.277 -14.637 7.211 1.00 0.00 C ATOM 3 C ALA A 1 -18.673 -14.285 6.692 1.00 0.00 C ATOM 4 O ALA A 1 -19.650 -14.362 7.410 1.00 0.00 O ATOM 5 CB ALA A 1 -17.390 -15.729 8.276 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.700 -13.664 8.160 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.573 -12.682 7.083 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.235 -13.082 8.595 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.662 -14.996 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.850 -16.616 7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.396 -15.980 8.647 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.005 -15.370 9.101 1.00 0.00 H new ATOM 11 N GLY A 2 -18.774 -13.895 5.450 1.00 0.00 N ATOM 12 CA GLY A 2 -20.101 -13.536 4.885 1.00 0.00 C ATOM 13 C GLY A 2 -19.889 -12.969 3.486 1.00 0.00 C ATOM 14 O GLY A 2 -20.758 -13.033 2.638 1.00 0.00 O ATOM 0 H GLY A 2 -17.991 -13.810 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -20.746 -14.413 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -20.598 -12.803 5.520 1.00 0.00 H new ATOM 18 N TYR A 3 -18.732 -12.416 3.237 1.00 0.00 N ATOM 19 CA TYR A 3 -18.455 -11.846 1.895 1.00 0.00 C ATOM 20 C TYR A 3 -17.878 -12.936 0.985 1.00 0.00 C ATOM 21 O TYR A 3 -16.875 -13.548 1.293 1.00 0.00 O ATOM 22 CB TYR A 3 -17.459 -10.687 2.025 1.00 0.00 C ATOM 23 CG TYR A 3 -16.054 -11.230 2.159 1.00 0.00 C ATOM 24 CD1 TYR A 3 -15.642 -11.820 3.361 1.00 0.00 C ATOM 25 CD2 TYR A 3 -15.166 -11.147 1.081 1.00 0.00 C ATOM 26 CE1 TYR A 3 -14.342 -12.325 3.482 1.00 0.00 C ATOM 27 CE2 TYR A 3 -13.867 -11.653 1.202 1.00 0.00 C ATOM 28 CZ TYR A 3 -13.455 -12.242 2.403 1.00 0.00 C ATOM 29 OH TYR A 3 -12.175 -12.742 2.522 1.00 0.00 O ATOM 0 H TYR A 3 -17.968 -12.336 3.909 1.00 0.00 H new ATOM 0 HA TYR A 3 -19.381 -11.471 1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -17.526 -10.038 1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -17.708 -10.078 2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.327 -11.885 4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -15.483 -10.692 0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -14.023 -12.779 4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.183 -11.589 0.369 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.691 -12.605 1.681 1.00 0.00 H new ATOM 39 N THR A 4 -18.505 -13.181 -0.134 1.00 0.00 N ATOM 40 CA THR A 4 -17.997 -14.229 -1.066 1.00 0.00 C ATOM 41 C THR A 4 -17.197 -13.567 -2.189 1.00 0.00 C ATOM 42 O THR A 4 -17.031 -12.363 -2.218 1.00 0.00 O ATOM 43 CB THR A 4 -19.179 -14.994 -1.668 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.895 -14.137 -2.547 1.00 0.00 O ATOM 45 CG2 THR A 4 -20.106 -15.468 -0.548 1.00 0.00 C ATOM 0 H THR A 4 -19.349 -12.699 -0.444 1.00 0.00 H new ATOM 0 HA THR A 4 -17.356 -14.921 -0.519 1.00 0.00 H new ATOM 0 HB THR A 4 -18.810 -15.858 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.651 -14.625 -2.935 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.947 -16.012 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.556 -16.124 0.127 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.477 -14.606 0.006 1.00 0.00 H new ATOM 53 N GLU A 5 -16.699 -14.341 -3.114 1.00 0.00 N ATOM 54 CA GLU A 5 -15.912 -13.752 -4.234 1.00 0.00 C ATOM 55 C GLU A 5 -16.738 -12.658 -4.915 1.00 0.00 C ATOM 56 O GLU A 5 -16.248 -11.581 -5.196 1.00 0.00 O ATOM 57 CB GLU A 5 -15.562 -14.848 -5.247 1.00 0.00 C ATOM 58 CG GLU A 5 -16.707 -15.860 -5.326 1.00 0.00 C ATOM 59 CD GLU A 5 -16.508 -16.760 -6.546 1.00 0.00 C ATOM 60 OE1 GLU A 5 -15.448 -16.688 -7.146 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.419 -17.507 -6.862 1.00 0.00 O ATOM 0 H GLU A 5 -16.803 -15.355 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.991 -13.318 -3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.385 -14.407 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.640 -15.349 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.738 -16.462 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.662 -15.340 -5.396 1.00 0.00 H new ATOM 68 N ILE A 6 -17.988 -12.922 -5.181 1.00 0.00 N ATOM 69 CA ILE A 6 -18.840 -11.891 -5.840 1.00 0.00 C ATOM 70 C ILE A 6 -18.757 -10.590 -5.043 1.00 0.00 C ATOM 71 O ILE A 6 -18.438 -9.545 -5.575 1.00 0.00 O ATOM 72 CB ILE A 6 -20.291 -12.375 -5.881 1.00 0.00 C ATOM 73 CG1 ILE A 6 -20.367 -13.683 -6.671 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.163 -11.317 -6.561 1.00 0.00 C ATOM 75 CD1 ILE A 6 -21.729 -14.340 -6.441 1.00 0.00 C ATOM 0 H ILE A 6 -18.455 -13.804 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 6 -18.489 -11.721 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.649 -12.541 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -20.220 -13.488 -7.733 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -19.569 -14.356 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.197 -11.662 -6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.107 -10.384 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -20.807 -11.151 -7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -21.783 -15.272 -7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -21.857 -14.550 -5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -22.519 -13.667 -6.776 1.00 0.00 H new ATOM 87 N GLU A 7 -19.033 -10.645 -3.769 1.00 0.00 N ATOM 88 CA GLU A 7 -18.960 -9.410 -2.941 1.00 0.00 C ATOM 89 C GLU A 7 -17.606 -8.737 -3.174 1.00 0.00 C ATOM 90 O GLU A 7 -17.528 -7.560 -3.463 1.00 0.00 O ATOM 91 CB GLU A 7 -19.104 -9.779 -1.461 1.00 0.00 C ATOM 92 CG GLU A 7 -20.583 -9.996 -1.131 1.00 0.00 C ATOM 93 CD GLU A 7 -21.290 -8.643 -1.039 1.00 0.00 C ATOM 94 OE1 GLU A 7 -20.652 -7.644 -1.323 1.00 0.00 O ATOM 95 OE2 GLU A 7 -22.458 -8.630 -0.689 1.00 0.00 O ATOM 0 H GLU A 7 -19.305 -11.490 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.763 -8.728 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.535 -10.683 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.693 -8.986 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.051 -10.611 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.681 -10.534 -0.188 1.00 0.00 H new ATOM 102 N LYS A 8 -16.541 -9.480 -3.054 1.00 0.00 N ATOM 103 CA LYS A 8 -15.190 -8.892 -3.272 1.00 0.00 C ATOM 104 C LYS A 8 -15.200 -8.056 -4.554 1.00 0.00 C ATOM 105 O LYS A 8 -14.757 -6.930 -4.572 1.00 0.00 O ATOM 106 CB LYS A 8 -14.160 -10.026 -3.400 1.00 0.00 C ATOM 107 CG LYS A 8 -13.074 -9.875 -2.331 1.00 0.00 C ATOM 108 CD LYS A 8 -12.186 -11.123 -2.327 1.00 0.00 C ATOM 109 CE LYS A 8 -10.923 -10.859 -1.503 1.00 0.00 C ATOM 110 NZ LYS A 8 -9.860 -10.307 -2.390 1.00 0.00 N ATOM 0 H LYS A 8 -16.548 -10.471 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.925 -8.254 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.655 -10.991 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.709 -10.008 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.473 -8.988 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.530 -9.737 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.733 -11.968 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.915 -11.391 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.141 -10.157 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.580 -11.783 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.948 -10.749 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.097 -10.508 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.792 -9.278 -2.252 1.00 0.00 H new ATOM 124 N LEU A 9 -15.699 -8.597 -5.629 1.00 0.00 N ATOM 125 CA LEU A 9 -15.726 -7.819 -6.900 1.00 0.00 C ATOM 126 C LEU A 9 -16.540 -6.537 -6.694 1.00 0.00 C ATOM 127 O LEU A 9 -16.126 -5.460 -7.079 1.00 0.00 O ATOM 128 CB LEU A 9 -16.366 -8.671 -8.008 1.00 0.00 C ATOM 129 CG LEU A 9 -15.304 -9.092 -9.029 1.00 0.00 C ATOM 130 CD1 LEU A 9 -14.351 -10.108 -8.393 1.00 0.00 C ATOM 131 CD2 LEU A 9 -15.989 -9.730 -10.240 1.00 0.00 C ATOM 0 H LEU A 9 -16.087 -9.539 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.709 -7.557 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.834 -9.554 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.154 -8.104 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.740 -8.215 -9.345 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.597 -10.405 -9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.863 -9.657 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.914 -10.985 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.235 -10.030 -10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.553 -10.606 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.667 -9.009 -10.696 1.00 0.00 H new ATOM 143 N GLU A 10 -17.694 -6.643 -6.095 1.00 0.00 N ATOM 144 CA GLU A 10 -18.533 -5.432 -5.872 1.00 0.00 C ATOM 145 C GLU A 10 -17.732 -4.379 -5.101 1.00 0.00 C ATOM 146 O GLU A 10 -17.404 -3.332 -5.621 1.00 0.00 O ATOM 147 CB GLU A 10 -19.778 -5.812 -5.068 1.00 0.00 C ATOM 148 CG GLU A 10 -20.741 -4.625 -5.025 1.00 0.00 C ATOM 149 CD GLU A 10 -21.952 -4.980 -4.161 1.00 0.00 C ATOM 150 OE1 GLU A 10 -21.747 -5.428 -3.044 1.00 0.00 O ATOM 151 OE2 GLU A 10 -23.063 -4.798 -4.630 1.00 0.00 O ATOM 0 H GLU A 10 -18.092 -7.516 -5.750 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.832 -5.022 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.267 -6.674 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.496 -6.101 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.236 -3.748 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.064 -4.368 -6.034 1.00 0.00 H new ATOM 158 N ILE A 11 -17.422 -4.643 -3.861 1.00 0.00 N ATOM 159 CA ILE A 11 -16.650 -3.651 -3.057 1.00 0.00 C ATOM 160 C ILE A 11 -15.354 -3.288 -3.782 1.00 0.00 C ATOM 161 O ILE A 11 -15.133 -2.151 -4.130 1.00 0.00 O ATOM 162 CB ILE A 11 -16.319 -4.240 -1.677 1.00 0.00 C ATOM 163 CG1 ILE A 11 -16.229 -5.770 -1.767 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.410 -3.852 -0.675 1.00 0.00 C ATOM 165 CD1 ILE A 11 -15.241 -6.289 -0.717 1.00 0.00 C ATOM 0 H ILE A 11 -17.669 -5.502 -3.369 1.00 0.00 H new ATOM 0 HA ILE A 11 -17.255 -2.753 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.360 -3.843 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.212 -6.212 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.905 -6.067 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.172 -4.271 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.466 -2.766 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.370 -4.242 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.178 -7.375 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.257 -5.857 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.584 -6.004 0.278 1.00 0.00 H new ATOM 177 N VAL A 12 -14.492 -4.243 -4.003 1.00 0.00 N ATOM 178 CA VAL A 12 -13.199 -3.952 -4.691 1.00 0.00 C ATOM 179 C VAL A 12 -13.405 -2.943 -5.823 1.00 0.00 C ATOM 180 O VAL A 12 -12.570 -2.095 -6.062 1.00 0.00 O ATOM 181 CB VAL A 12 -12.624 -5.248 -5.269 1.00 0.00 C ATOM 182 CG1 VAL A 12 -11.366 -4.932 -6.084 1.00 0.00 C ATOM 183 CG2 VAL A 12 -12.266 -6.204 -4.125 1.00 0.00 C ATOM 0 H VAL A 12 -14.628 -5.218 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.506 -3.529 -3.963 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.366 -5.717 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.957 -5.855 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.621 -4.254 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.623 -4.462 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.857 -7.127 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.525 -5.735 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.162 -6.431 -3.547 1.00 0.00 H new ATOM 193 N LYS A 13 -14.486 -3.036 -6.539 1.00 0.00 N ATOM 194 CA LYS A 13 -14.702 -2.085 -7.666 1.00 0.00 C ATOM 195 C LYS A 13 -15.274 -0.742 -7.182 1.00 0.00 C ATOM 196 O LYS A 13 -14.921 0.303 -7.689 1.00 0.00 O ATOM 197 CB LYS A 13 -15.665 -2.711 -8.677 1.00 0.00 C ATOM 198 CG LYS A 13 -15.536 -1.991 -10.021 1.00 0.00 C ATOM 199 CD LYS A 13 -16.677 -2.424 -10.943 1.00 0.00 C ATOM 200 CE LYS A 13 -16.555 -1.698 -12.284 1.00 0.00 C ATOM 201 NZ LYS A 13 -15.288 -2.103 -12.956 1.00 0.00 N ATOM 0 H LYS A 13 -15.226 -3.723 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.735 -1.889 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.443 -3.771 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.689 -2.640 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.565 -0.912 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.575 -2.224 -10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.644 -3.503 -11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.638 -2.197 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.408 -1.938 -12.918 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.567 -0.619 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.441 -2.155 -13.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.547 -1.402 -12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.990 -3.035 -12.603 1.00 0.00 H new ATOM 215 N ASP A 14 -16.184 -0.757 -6.248 1.00 0.00 N ATOM 216 CA ASP A 14 -16.802 0.528 -5.788 1.00 0.00 C ATOM 217 C ASP A 14 -15.917 1.267 -4.773 1.00 0.00 C ATOM 218 O ASP A 14 -15.837 2.479 -4.783 1.00 0.00 O ATOM 219 CB ASP A 14 -18.157 0.225 -5.145 1.00 0.00 C ATOM 220 CG ASP A 14 -18.944 1.526 -4.978 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.538 2.340 -4.165 1.00 0.00 O ATOM 222 OD2 ASP A 14 -19.939 1.687 -5.665 1.00 0.00 O ATOM 0 H ASP A 14 -16.528 -1.597 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.918 1.174 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.718 -0.475 -5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.013 -0.253 -4.176 1.00 0.00 H new ATOM 227 N HIS A 15 -15.292 0.564 -3.871 1.00 0.00 N ATOM 228 CA HIS A 15 -14.461 1.245 -2.829 1.00 0.00 C ATOM 229 C HIS A 15 -13.156 1.812 -3.411 1.00 0.00 C ATOM 230 O HIS A 15 -12.704 2.863 -3.004 1.00 0.00 O ATOM 231 CB HIS A 15 -14.142 0.252 -1.704 1.00 0.00 C ATOM 232 CG HIS A 15 -12.903 -0.531 -2.041 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.524 -1.203 -3.175 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.857 -0.685 -1.142 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -11.268 -1.764 -2.983 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.909 -1.424 -1.745 1.00 0.00 N flip ATOM 0 H HIS A 15 -15.318 -0.454 -3.807 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.035 2.085 -2.438 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.999 0.788 -0.766 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.982 -0.427 -1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.812 -0.284 -0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.701 -2.353 -3.689 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.026 -1.691 -1.310 1.00 0.00 H new ATOM 245 N LEU A 16 -12.521 1.122 -4.322 1.00 0.00 N ATOM 246 CA LEU A 16 -11.226 1.630 -4.874 1.00 0.00 C ATOM 247 C LEU A 16 -11.261 3.155 -5.057 1.00 0.00 C ATOM 248 O LEU A 16 -10.270 3.828 -4.861 1.00 0.00 O ATOM 249 CB LEU A 16 -10.897 0.954 -6.219 1.00 0.00 C ATOM 250 CG LEU A 16 -12.148 0.821 -7.103 1.00 0.00 C ATOM 251 CD1 LEU A 16 -12.579 2.191 -7.653 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.821 -0.105 -8.278 1.00 0.00 C ATOM 0 H LEU A 16 -12.839 0.233 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.446 1.382 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.139 1.536 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.472 -0.033 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.962 0.415 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.466 2.071 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.806 2.861 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.771 2.614 -8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.700 -0.209 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.001 0.319 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.529 -1.085 -7.899 1.00 0.00 H new ATOM 264 N LEU A 17 -12.371 3.708 -5.458 1.00 0.00 N ATOM 265 CA LEU A 17 -12.420 5.183 -5.677 1.00 0.00 C ATOM 266 C LEU A 17 -12.334 5.946 -4.341 1.00 0.00 C ATOM 267 O LEU A 17 -11.350 6.603 -4.076 1.00 0.00 O ATOM 268 CB LEU A 17 -13.712 5.550 -6.427 1.00 0.00 C ATOM 269 CG LEU A 17 -13.427 5.684 -7.930 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.725 5.488 -8.717 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.865 7.078 -8.224 1.00 0.00 C ATOM 0 H LEU A 17 -13.241 3.209 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.560 5.475 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.470 4.785 -6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.114 6.486 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.701 4.927 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.522 5.583 -9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.129 4.497 -8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.450 6.244 -8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.663 7.171 -9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.591 7.834 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.940 7.222 -7.666 1.00 0.00 H new ATOM 283 N PRO A 18 -13.347 5.883 -3.512 1.00 0.00 N ATOM 284 CA PRO A 18 -13.360 6.613 -2.203 1.00 0.00 C ATOM 285 C PRO A 18 -12.291 6.116 -1.220 1.00 0.00 C ATOM 286 O PRO A 18 -11.660 6.895 -0.533 1.00 0.00 O ATOM 287 CB PRO A 18 -14.763 6.337 -1.644 1.00 0.00 C ATOM 288 CG PRO A 18 -15.199 5.077 -2.312 1.00 0.00 C ATOM 289 CD PRO A 18 -14.587 5.114 -3.709 1.00 0.00 C ATOM 0 HA PRO A 18 -13.137 7.671 -2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.741 6.223 -0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.445 7.158 -1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.857 4.202 -1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.286 5.017 -2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.384 4.112 -4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.250 5.596 -4.427 1.00 0.00 H new ATOM 297 N LYS A 19 -12.095 4.831 -1.134 1.00 0.00 N ATOM 298 CA LYS A 19 -11.083 4.289 -0.180 1.00 0.00 C ATOM 299 C LYS A 19 -9.789 5.107 -0.250 1.00 0.00 C ATOM 300 O LYS A 19 -9.354 5.681 0.729 1.00 0.00 O ATOM 301 CB LYS A 19 -10.781 2.829 -0.533 1.00 0.00 C ATOM 302 CG LYS A 19 -10.030 2.162 0.628 1.00 0.00 C ATOM 303 CD LYS A 19 -11.031 1.602 1.647 1.00 0.00 C ATOM 304 CE LYS A 19 -10.354 1.462 3.012 1.00 0.00 C ATOM 305 NZ LYS A 19 -10.234 2.806 3.646 1.00 0.00 N ATOM 0 H LYS A 19 -12.592 4.130 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.485 4.351 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.709 2.294 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.182 2.781 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.397 1.360 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.373 2.886 1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.894 2.263 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.401 0.633 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.934 0.797 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.368 1.013 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.083 2.695 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.428 3.315 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.107 3.347 3.482 1.00 0.00 H new ATOM 319 N GLN A 20 -9.160 5.154 -1.392 1.00 0.00 N ATOM 320 CA GLN A 20 -7.884 5.919 -1.515 1.00 0.00 C ATOM 321 C GLN A 20 -8.171 7.415 -1.678 1.00 0.00 C ATOM 322 O GLN A 20 -7.597 8.240 -0.998 1.00 0.00 O ATOM 323 CB GLN A 20 -7.111 5.406 -2.733 1.00 0.00 C ATOM 324 CG GLN A 20 -6.816 3.905 -2.559 1.00 0.00 C ATOM 325 CD GLN A 20 -7.121 3.151 -3.858 1.00 0.00 C ATOM 326 OE1 GLN A 20 -6.439 2.078 -4.151 1.00 0.00 O flip ATOM 327 NE2 GLN A 20 -7.990 3.541 -4.612 1.00 0.00 N flip ATOM 0 H GLN A 20 -9.474 4.695 -2.247 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.292 5.777 -0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.691 5.571 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.179 5.960 -2.845 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.771 3.762 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.418 3.501 -1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.524 4.380 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.186 3.030 -5.473 1.00 0.00 H new ATOM 336 N ILE A 21 -9.043 7.773 -2.576 1.00 0.00 N ATOM 337 CA ILE A 21 -9.351 9.219 -2.788 1.00 0.00 C ATOM 338 C ILE A 21 -9.582 9.923 -1.445 1.00 0.00 C ATOM 339 O ILE A 21 -9.206 11.058 -1.272 1.00 0.00 O ATOM 340 CB ILE A 21 -10.601 9.358 -3.665 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.260 8.980 -5.116 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.115 10.801 -3.618 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.194 9.927 -5.687 1.00 0.00 C ATOM 0 H ILE A 21 -9.558 7.128 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.502 9.687 -3.286 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.376 8.690 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.899 7.952 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.160 9.025 -5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.003 10.891 -4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.366 11.064 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.342 11.475 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.967 9.642 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.569 10.950 -5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.288 9.861 -5.084 1.00 0.00 H new ATOM 355 N LYS A 22 -10.219 9.282 -0.505 1.00 0.00 N ATOM 356 CA LYS A 22 -10.479 9.958 0.802 1.00 0.00 C ATOM 357 C LYS A 22 -9.168 10.175 1.568 1.00 0.00 C ATOM 358 O LYS A 22 -8.602 11.257 1.554 1.00 0.00 O ATOM 359 CB LYS A 22 -11.427 9.097 1.642 1.00 0.00 C ATOM 360 CG LYS A 22 -11.974 9.924 2.807 1.00 0.00 C ATOM 361 CD LYS A 22 -12.760 9.015 3.754 1.00 0.00 C ATOM 362 CE LYS A 22 -13.576 9.873 4.723 1.00 0.00 C ATOM 363 NZ LYS A 22 -14.069 9.023 5.845 1.00 0.00 N ATOM 0 H LYS A 22 -10.569 8.327 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.935 10.929 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.248 8.733 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.900 8.221 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.155 10.403 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.618 10.719 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.421 8.362 3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.077 8.371 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.962 10.686 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.417 10.329 4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.624 9.606 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.669 8.262 5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.259 8.608 6.348 1.00 0.00 H new ATOM 377 N GLU A 23 -8.682 9.163 2.237 1.00 0.00 N ATOM 378 CA GLU A 23 -7.409 9.311 3.004 1.00 0.00 C ATOM 379 C GLU A 23 -6.412 10.110 2.171 1.00 0.00 C ATOM 380 O GLU A 23 -5.678 10.938 2.675 1.00 0.00 O ATOM 381 CB GLU A 23 -6.832 7.927 3.306 1.00 0.00 C ATOM 382 CG GLU A 23 -7.751 7.192 4.283 1.00 0.00 C ATOM 383 CD GLU A 23 -7.681 7.867 5.655 1.00 0.00 C ATOM 384 OE1 GLU A 23 -6.751 7.577 6.389 1.00 0.00 O ATOM 385 OE2 GLU A 23 -8.558 8.662 5.947 1.00 0.00 O ATOM 0 H GLU A 23 -9.112 8.239 2.286 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.603 9.833 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.732 7.354 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.833 8.023 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.776 7.202 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.452 6.147 4.364 1.00 0.00 H new ATOM 392 N HIS A 24 -6.392 9.869 0.893 1.00 0.00 N ATOM 393 CA HIS A 24 -5.460 10.608 0.001 1.00 0.00 C ATOM 394 C HIS A 24 -6.066 11.977 -0.303 1.00 0.00 C ATOM 395 O HIS A 24 -5.378 12.973 -0.371 1.00 0.00 O ATOM 396 CB HIS A 24 -5.263 9.818 -1.295 1.00 0.00 C ATOM 397 CG HIS A 24 -4.926 8.385 -0.963 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.439 7.739 0.153 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.125 7.462 -1.592 1.00 0.00 C ATOM 400 CE1 HIS A 24 -4.946 6.486 0.161 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.141 6.270 -0.880 1.00 0.00 N ATOM 0 H HIS A 24 -6.986 9.186 0.424 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.491 10.735 0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.169 9.859 -1.900 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.464 10.263 -1.887 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.568 7.637 -2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.174 5.748 0.916 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.642 5.410 -1.106 1.00 0.00 H new ATOM 410 N GLY A 25 -7.360 12.021 -0.481 1.00 0.00 N ATOM 411 CA GLY A 25 -8.054 13.311 -0.772 1.00 0.00 C ATOM 412 C GLY A 25 -7.449 14.428 0.072 1.00 0.00 C ATOM 413 O GLY A 25 -7.324 15.552 -0.373 1.00 0.00 O ATOM 0 H GLY A 25 -7.974 11.207 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.962 13.553 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.119 13.218 -0.558 1.00 0.00 H new ATOM 417 N LEU A 26 -7.085 14.133 1.293 1.00 0.00 N ATOM 418 CA LEU A 26 -6.498 15.189 2.176 1.00 0.00 C ATOM 419 C LEU A 26 -5.607 16.113 1.334 1.00 0.00 C ATOM 420 O LEU A 26 -5.611 17.316 1.500 1.00 0.00 O ATOM 421 CB LEU A 26 -5.659 14.522 3.275 1.00 0.00 C ATOM 422 CG LEU A 26 -5.669 15.388 4.539 1.00 0.00 C ATOM 423 CD1 LEU A 26 -4.785 14.740 5.606 1.00 0.00 C ATOM 424 CD2 LEU A 26 -5.132 16.786 4.213 1.00 0.00 C ATOM 0 H LEU A 26 -7.168 13.209 1.718 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.296 15.773 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.058 13.533 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.635 14.382 2.928 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.690 15.472 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.791 15.355 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.168 13.747 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.765 14.655 5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.141 17.399 5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.111 16.706 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.761 17.249 3.453 1.00 0.00 H new ATOM 436 N LYS A 27 -4.867 15.557 0.412 1.00 0.00 N ATOM 437 CA LYS A 27 -4.002 16.396 -0.463 1.00 0.00 C ATOM 438 C LYS A 27 -4.689 16.536 -1.823 1.00 0.00 C ATOM 439 O LYS A 27 -5.633 15.831 -2.120 1.00 0.00 O ATOM 440 CB LYS A 27 -2.642 15.716 -0.641 1.00 0.00 C ATOM 441 CG LYS A 27 -2.003 15.491 0.730 1.00 0.00 C ATOM 442 CD LYS A 27 -0.604 14.894 0.552 1.00 0.00 C ATOM 443 CE LYS A 27 -0.099 14.368 1.896 1.00 0.00 C ATOM 444 NZ LYS A 27 1.295 13.862 1.739 1.00 0.00 N ATOM 0 H LYS A 27 -4.825 14.555 0.228 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.850 17.378 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.764 14.764 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.992 16.334 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.941 16.434 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.623 14.821 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.632 14.086 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.079 15.650 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.127 15.161 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.749 13.570 2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.639 13.504 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.308 13.093 1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.911 14.635 1.416 1.00 0.00 H new ATOM 458 N LYS A 28 -4.236 17.435 -2.651 1.00 0.00 N ATOM 459 CA LYS A 28 -4.883 17.601 -3.985 1.00 0.00 C ATOM 460 C LYS A 28 -5.077 16.225 -4.628 1.00 0.00 C ATOM 461 O LYS A 28 -4.309 15.313 -4.398 1.00 0.00 O ATOM 462 CB LYS A 28 -3.995 18.464 -4.883 1.00 0.00 C ATOM 463 CG LYS A 28 -2.604 17.832 -4.988 1.00 0.00 C ATOM 464 CD LYS A 28 -1.688 18.731 -5.830 1.00 0.00 C ATOM 465 CE LYS A 28 -1.069 19.817 -4.946 1.00 0.00 C ATOM 466 NZ LYS A 28 -0.079 20.598 -5.742 1.00 0.00 N ATOM 0 H LYS A 28 -3.451 18.059 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.851 18.087 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.440 18.554 -5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.918 19.472 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.180 17.695 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.677 16.844 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.902 18.134 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.257 19.189 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.847 20.478 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.582 19.365 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.343 21.336 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.669 19.962 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.557 21.041 -6.553 1.00 0.00 H new ATOM 480 N SER A 29 -6.099 16.066 -5.432 1.00 0.00 N ATOM 481 CA SER A 29 -6.341 14.747 -6.090 1.00 0.00 C ATOM 482 C SER A 29 -5.007 14.167 -6.555 1.00 0.00 C ATOM 483 O SER A 29 -4.516 14.486 -7.621 1.00 0.00 O ATOM 484 CB SER A 29 -7.263 14.940 -7.294 1.00 0.00 C ATOM 485 OG SER A 29 -8.563 15.290 -6.839 1.00 0.00 O ATOM 0 H SER A 29 -6.776 16.794 -5.661 1.00 0.00 H new ATOM 0 HA SER A 29 -6.811 14.064 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.871 15.721 -7.945 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.306 14.025 -7.884 1.00 0.00 H new ATOM 0 HG SER A 29 -9.156 15.416 -7.609 1.00 0.00 H new ATOM 491 N ASN A 30 -4.405 13.333 -5.750 1.00 0.00 N ATOM 492 CA ASN A 30 -3.086 12.744 -6.120 1.00 0.00 C ATOM 493 C ASN A 30 -3.222 11.240 -6.374 1.00 0.00 C ATOM 494 O ASN A 30 -2.329 10.472 -6.073 1.00 0.00 O ATOM 495 CB ASN A 30 -2.100 12.980 -4.971 1.00 0.00 C ATOM 496 CG ASN A 30 -0.666 12.862 -5.489 1.00 0.00 C ATOM 497 OD1 ASN A 30 0.171 12.251 -4.856 1.00 0.00 O ATOM 498 ND2 ASN A 30 -0.344 13.427 -6.620 1.00 0.00 N ATOM 0 H ASN A 30 -4.773 13.033 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.724 13.219 -7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.260 13.968 -4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.271 12.253 -4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.611 13.355 -6.972 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.047 13.940 -7.152 1.00 0.00 H new ATOM 505 N LEU A 31 -4.325 10.803 -6.922 1.00 0.00 N ATOM 506 CA LEU A 31 -4.493 9.349 -7.182 1.00 0.00 C ATOM 507 C LEU A 31 -5.490 9.135 -8.327 1.00 0.00 C ATOM 508 O LEU A 31 -6.571 9.688 -8.332 1.00 0.00 O ATOM 509 CB LEU A 31 -5.016 8.682 -5.909 1.00 0.00 C ATOM 510 CG LEU A 31 -4.424 7.278 -5.766 1.00 0.00 C ATOM 511 CD1 LEU A 31 -4.702 6.467 -7.035 1.00 0.00 C ATOM 512 CD2 LEU A 31 -2.908 7.363 -5.522 1.00 0.00 C ATOM 0 H LEU A 31 -5.112 11.390 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.536 8.911 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.754 9.285 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.104 8.624 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.890 6.783 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.279 5.468 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.778 6.390 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.247 6.964 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.499 6.358 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.432 7.867 -6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.718 7.925 -4.608 1.00 0.00 H new ATOM 524 N GLN A 32 -5.135 8.327 -9.292 1.00 0.00 N ATOM 525 CA GLN A 32 -6.063 8.070 -10.432 1.00 0.00 C ATOM 526 C GLN A 32 -5.767 6.692 -11.031 1.00 0.00 C ATOM 527 O GLN A 32 -5.146 6.579 -12.068 1.00 0.00 O ATOM 528 CB GLN A 32 -5.871 9.146 -11.508 1.00 0.00 C ATOM 529 CG GLN A 32 -6.701 10.387 -11.162 1.00 0.00 C ATOM 530 CD GLN A 32 -6.721 11.338 -12.360 1.00 0.00 C ATOM 531 OE1 GLN A 32 -7.688 12.041 -12.576 1.00 0.00 O ATOM 532 NE2 GLN A 32 -5.686 11.392 -13.154 1.00 0.00 N ATOM 0 H GLN A 32 -4.243 7.835 -9.340 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.092 8.098 -10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.817 9.413 -11.583 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.172 8.757 -12.481 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.718 10.096 -10.899 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.278 10.890 -10.292 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.874 10.802 -12.974 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.690 12.024 -13.955 1.00 0.00 H new ATOM 541 N LEU A 33 -6.210 5.644 -10.393 1.00 0.00 N ATOM 542 CA LEU A 33 -5.953 4.280 -10.934 1.00 0.00 C ATOM 543 C LEU A 33 -7.151 3.827 -11.768 1.00 0.00 C ATOM 544 O LEU A 33 -8.157 4.504 -11.853 1.00 0.00 O ATOM 545 CB LEU A 33 -5.728 3.295 -9.780 1.00 0.00 C ATOM 546 CG LEU A 33 -6.614 3.670 -8.589 1.00 0.00 C ATOM 547 CD1 LEU A 33 -8.079 3.731 -9.025 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.453 2.612 -7.494 1.00 0.00 C ATOM 0 H LEU A 33 -6.738 5.673 -9.521 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.062 4.305 -11.561 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.956 2.281 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.680 3.306 -9.481 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.315 4.647 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.702 3.998 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.195 4.481 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.386 2.757 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.081 2.872 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.752 1.638 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.411 2.572 -7.178 1.00 0.00 H new ATOM 560 N ARG A 34 -7.045 2.684 -12.386 1.00 0.00 N ATOM 561 CA ARG A 34 -8.168 2.164 -13.220 1.00 0.00 C ATOM 562 C ARG A 34 -8.523 0.748 -12.765 1.00 0.00 C ATOM 563 O ARG A 34 -7.947 0.223 -11.833 1.00 0.00 O ATOM 564 CB ARG A 34 -7.739 2.135 -14.688 1.00 0.00 C ATOM 565 CG ARG A 34 -7.694 3.563 -15.234 1.00 0.00 C ATOM 566 CD ARG A 34 -7.360 3.529 -16.725 1.00 0.00 C ATOM 567 NE ARG A 34 -8.374 2.707 -17.444 1.00 0.00 N ATOM 568 CZ ARG A 34 -9.533 3.221 -17.750 1.00 0.00 C ATOM 569 NH1 ARG A 34 -9.803 4.457 -17.429 1.00 0.00 N ATOM 570 NH2 ARG A 34 -10.422 2.500 -18.377 1.00 0.00 N ATOM 0 H ARG A 34 -6.222 2.082 -12.350 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.037 2.812 -13.108 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.759 1.667 -14.782 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.437 1.533 -15.270 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.654 4.054 -15.077 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.946 4.146 -14.696 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.345 4.542 -17.128 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.365 3.111 -16.876 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.162 1.742 -17.697 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.108 5.020 -16.939 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.709 4.860 -17.668 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.211 1.534 -18.628 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.328 2.902 -18.616 1.00 0.00 H new ATOM 584 N ASP A 35 -9.468 0.125 -13.413 1.00 0.00 N ATOM 585 CA ASP A 35 -9.858 -1.256 -13.014 1.00 0.00 C ATOM 586 C ASP A 35 -8.749 -2.235 -13.408 1.00 0.00 C ATOM 587 O ASP A 35 -8.429 -3.150 -12.677 1.00 0.00 O ATOM 588 CB ASP A 35 -11.156 -1.643 -13.725 1.00 0.00 C ATOM 589 CG ASP A 35 -12.158 -0.490 -13.625 1.00 0.00 C ATOM 590 OD1 ASP A 35 -12.736 -0.324 -12.564 1.00 0.00 O ATOM 591 OD2 ASP A 35 -12.329 0.207 -14.611 1.00 0.00 O ATOM 0 H ASP A 35 -9.987 0.512 -14.201 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.008 -1.294 -11.935 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.955 -1.874 -14.771 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.575 -2.543 -13.275 1.00 0.00 H new ATOM 596 N GLN A 36 -8.162 -2.051 -14.557 1.00 0.00 N ATOM 597 CA GLN A 36 -7.075 -2.972 -14.995 1.00 0.00 C ATOM 598 C GLN A 36 -5.988 -3.031 -13.920 1.00 0.00 C ATOM 599 O GLN A 36 -5.547 -4.093 -13.530 1.00 0.00 O ATOM 600 CB GLN A 36 -6.472 -2.461 -16.304 1.00 0.00 C ATOM 601 CG GLN A 36 -7.575 -2.325 -17.356 1.00 0.00 C ATOM 602 CD GLN A 36 -6.965 -1.854 -18.677 1.00 0.00 C ATOM 603 OE1 GLN A 36 -7.220 -2.429 -19.716 1.00 0.00 O ATOM 604 NE2 GLN A 36 -6.162 -0.826 -18.680 1.00 0.00 N ATOM 0 H GLN A 36 -8.387 -1.303 -15.213 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.485 -3.970 -15.148 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.988 -1.498 -16.142 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.703 -3.149 -16.655 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.078 -3.282 -17.496 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.329 -1.615 -17.018 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.948 -0.343 -17.807 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.748 -0.505 -19.555 1.00 0.00 H new ATOM 613 N ALA A 37 -5.553 -1.898 -13.441 1.00 0.00 N ATOM 614 CA ALA A 37 -4.493 -1.889 -12.393 1.00 0.00 C ATOM 615 C ALA A 37 -4.957 -2.712 -11.189 1.00 0.00 C ATOM 616 O ALA A 37 -4.346 -3.698 -10.826 1.00 0.00 O ATOM 617 CB ALA A 37 -4.224 -0.447 -11.957 1.00 0.00 C ATOM 0 H ALA A 37 -5.886 -0.978 -13.730 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.578 -2.324 -12.795 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.449 -0.437 -11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.892 0.137 -12.816 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.139 -0.012 -11.554 1.00 0.00 H new ATOM 623 N ILE A 38 -6.031 -2.315 -10.564 1.00 0.00 N ATOM 624 CA ILE A 38 -6.534 -3.073 -9.381 1.00 0.00 C ATOM 625 C ILE A 38 -6.543 -4.572 -9.698 1.00 0.00 C ATOM 626 O ILE A 38 -5.946 -5.366 -9.000 1.00 0.00 O ATOM 627 CB ILE A 38 -7.957 -2.610 -9.054 1.00 0.00 C ATOM 628 CG1 ILE A 38 -7.915 -1.182 -8.482 1.00 0.00 C ATOM 629 CG2 ILE A 38 -8.591 -3.563 -8.035 1.00 0.00 C ATOM 630 CD1 ILE A 38 -7.711 -1.223 -6.963 1.00 0.00 C ATOM 0 H ILE A 38 -6.584 -1.497 -10.821 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.884 -2.890 -8.526 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.557 -2.614 -9.964 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.107 -0.619 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.843 -0.661 -8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.603 -3.229 -7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.626 -4.570 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.995 -3.569 -7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.683 -0.206 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.534 -1.767 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.771 -1.725 -6.736 1.00 0.00 H new ATOM 642 N LEU A 39 -7.218 -4.963 -10.743 1.00 0.00 N ATOM 643 CA LEU A 39 -7.270 -6.409 -11.104 1.00 0.00 C ATOM 644 C LEU A 39 -5.854 -6.986 -11.155 1.00 0.00 C ATOM 645 O LEU A 39 -5.617 -8.110 -10.757 1.00 0.00 O ATOM 646 CB LEU A 39 -7.932 -6.570 -12.476 1.00 0.00 C ATOM 647 CG LEU A 39 -9.412 -6.178 -12.392 1.00 0.00 C ATOM 648 CD1 LEU A 39 -9.937 -5.863 -13.794 1.00 0.00 C ATOM 649 CD2 LEU A 39 -10.227 -7.332 -11.795 1.00 0.00 C ATOM 0 H LEU A 39 -7.737 -4.343 -11.364 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.849 -6.943 -10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.423 -5.946 -13.210 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.839 -7.602 -12.815 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.511 -5.299 -11.755 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.989 -5.584 -13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.366 -5.037 -14.219 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.830 -6.743 -14.429 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.277 -7.045 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.125 -8.214 -12.427 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.859 -7.558 -10.794 1.00 0.00 H new ATOM 661 N ASP A 40 -4.915 -6.237 -11.656 1.00 0.00 N ATOM 662 CA ASP A 40 -3.518 -6.751 -11.748 1.00 0.00 C ATOM 663 C ASP A 40 -2.957 -7.020 -10.344 1.00 0.00 C ATOM 664 O ASP A 40 -2.570 -8.127 -10.025 1.00 0.00 O ATOM 665 CB ASP A 40 -2.641 -5.714 -12.469 1.00 0.00 C ATOM 666 CG ASP A 40 -2.338 -6.190 -13.893 1.00 0.00 C ATOM 667 OD1 ASP A 40 -3.278 -6.383 -14.645 1.00 0.00 O ATOM 668 OD2 ASP A 40 -1.170 -6.353 -14.206 1.00 0.00 O ATOM 0 H ASP A 40 -5.052 -5.289 -12.007 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.517 -7.685 -12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.151 -4.751 -12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.711 -5.566 -11.920 1.00 0.00 H new ATOM 673 N ILE A 41 -2.889 -6.018 -9.509 1.00 0.00 N ATOM 674 CA ILE A 41 -2.327 -6.228 -8.139 1.00 0.00 C ATOM 675 C ILE A 41 -3.039 -7.395 -7.437 1.00 0.00 C ATOM 676 O ILE A 41 -2.413 -8.357 -7.043 1.00 0.00 O ATOM 677 CB ILE A 41 -2.467 -4.941 -7.307 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.309 -5.269 -5.818 1.00 0.00 C ATOM 679 CG2 ILE A 41 -3.834 -4.301 -7.542 1.00 0.00 C ATOM 680 CD1 ILE A 41 -2.013 -3.986 -5.038 1.00 0.00 C ATOM 0 H ILE A 41 -3.196 -5.067 -9.713 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.269 -6.475 -8.232 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.690 -4.241 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.219 -5.735 -5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.501 -5.987 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.917 -3.392 -6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.944 -4.054 -8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.618 -5.000 -7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.901 -4.221 -3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.091 -3.539 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.836 -3.283 -5.168 1.00 0.00 H new ATOM 692 N ILE A 42 -4.332 -7.325 -7.265 1.00 0.00 N ATOM 693 CA ILE A 42 -5.045 -8.438 -6.580 1.00 0.00 C ATOM 694 C ILE A 42 -4.783 -9.752 -7.316 1.00 0.00 C ATOM 695 O ILE A 42 -4.602 -10.789 -6.709 1.00 0.00 O ATOM 696 CB ILE A 42 -6.550 -8.147 -6.560 1.00 0.00 C ATOM 697 CG1 ILE A 42 -7.060 -7.908 -7.994 1.00 0.00 C ATOM 698 CG2 ILE A 42 -6.817 -6.905 -5.706 1.00 0.00 C ATOM 699 CD1 ILE A 42 -7.724 -9.181 -8.532 1.00 0.00 C ATOM 0 H ILE A 42 -4.921 -6.549 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.680 -8.524 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.075 -9.003 -6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.773 -7.084 -8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.231 -7.619 -8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.887 -6.697 -5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.467 -7.081 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.287 -6.052 -6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.082 -9.004 -9.546 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.998 -9.994 -8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.564 -9.451 -7.893 1.00 0.00 H new ATOM 711 N ARG A 43 -4.764 -9.720 -8.620 1.00 0.00 N ATOM 712 CA ARG A 43 -4.518 -10.971 -9.394 1.00 0.00 C ATOM 713 C ARG A 43 -3.127 -11.522 -9.070 1.00 0.00 C ATOM 714 O ARG A 43 -2.943 -12.714 -8.923 1.00 0.00 O ATOM 715 CB ARG A 43 -4.613 -10.669 -10.892 1.00 0.00 C ATOM 716 CG ARG A 43 -4.194 -11.905 -11.694 1.00 0.00 C ATOM 717 CD ARG A 43 -4.598 -11.743 -13.166 1.00 0.00 C ATOM 718 NE ARG A 43 -5.625 -12.767 -13.512 1.00 0.00 N ATOM 719 CZ ARG A 43 -6.892 -12.525 -13.309 1.00 0.00 C ATOM 720 NH1 ARG A 43 -7.270 -11.377 -12.814 1.00 0.00 N ATOM 721 NH2 ARG A 43 -7.784 -13.430 -13.605 1.00 0.00 N ATOM 0 H ARG A 43 -4.908 -8.882 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.267 -11.714 -9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.632 -10.383 -11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.971 -9.825 -11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.116 -12.048 -11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.664 -12.795 -11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.994 -10.742 -13.338 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.725 -11.855 -13.809 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.336 -13.661 -13.909 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.575 -10.667 -12.585 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.260 -11.191 -12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.492 -14.326 -13.995 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.774 -13.241 -13.447 1.00 0.00 H new ATOM 735 N TYR A 44 -2.144 -10.670 -8.957 1.00 0.00 N ATOM 736 CA TYR A 44 -0.774 -11.152 -8.642 1.00 0.00 C ATOM 737 C TYR A 44 -0.659 -11.388 -7.139 1.00 0.00 C ATOM 738 O TYR A 44 -0.008 -12.310 -6.690 1.00 0.00 O ATOM 739 CB TYR A 44 0.250 -10.100 -9.079 1.00 0.00 C ATOM 740 CG TYR A 44 0.431 -10.162 -10.579 1.00 0.00 C ATOM 741 CD1 TYR A 44 0.993 -11.302 -11.169 1.00 0.00 C ATOM 742 CD2 TYR A 44 0.035 -9.083 -11.379 1.00 0.00 C ATOM 743 CE1 TYR A 44 1.159 -11.360 -12.558 1.00 0.00 C ATOM 744 CE2 TYR A 44 0.202 -9.143 -12.767 1.00 0.00 C ATOM 745 CZ TYR A 44 0.764 -10.282 -13.357 1.00 0.00 C ATOM 746 OH TYR A 44 0.928 -10.340 -14.725 1.00 0.00 O ATOM 0 H TYR A 44 -2.233 -9.660 -9.070 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.580 -12.084 -9.173 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.086 -9.106 -8.784 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.203 -10.276 -8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.298 -12.135 -10.553 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.399 -8.205 -10.925 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.593 -12.238 -13.013 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.103 -8.310 -13.384 1.00 0.00 H new ATOM 0 HH TYR A 44 0.601 -9.509 -15.129 1.00 0.00 H new ATOM 756 N TYR A 45 -1.274 -10.545 -6.356 1.00 0.00 N ATOM 757 CA TYR A 45 -1.188 -10.693 -4.878 1.00 0.00 C ATOM 758 C TYR A 45 -2.402 -11.440 -4.346 1.00 0.00 C ATOM 759 O TYR A 45 -2.841 -11.217 -3.235 1.00 0.00 O ATOM 760 CB TYR A 45 -1.110 -9.308 -4.241 1.00 0.00 C ATOM 761 CG TYR A 45 0.256 -8.750 -4.523 1.00 0.00 C ATOM 762 CD1 TYR A 45 0.592 -8.372 -5.824 1.00 0.00 C ATOM 763 CD2 TYR A 45 1.194 -8.642 -3.495 1.00 0.00 C ATOM 764 CE1 TYR A 45 1.868 -7.883 -6.102 1.00 0.00 C ATOM 765 CE2 TYR A 45 2.471 -8.149 -3.767 1.00 0.00 C ATOM 766 CZ TYR A 45 2.812 -7.769 -5.072 1.00 0.00 C ATOM 767 OH TYR A 45 4.076 -7.288 -5.343 1.00 0.00 O ATOM 0 H TYR A 45 -1.835 -9.757 -6.679 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.295 -11.265 -4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.881 -8.655 -4.650 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.283 -9.371 -3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.137 -8.458 -6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.932 -8.940 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.128 -7.593 -7.109 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.196 -8.060 -2.972 1.00 0.00 H new ATOM 0 HH TYR A 45 4.604 -7.273 -4.518 1.00 0.00 H new ATOM 777 N THR A 46 -2.937 -12.343 -5.119 1.00 0.00 N ATOM 778 CA THR A 46 -4.109 -13.125 -4.635 1.00 0.00 C ATOM 779 C THR A 46 -3.836 -13.558 -3.193 1.00 0.00 C ATOM 780 O THR A 46 -4.737 -13.877 -2.441 1.00 0.00 O ATOM 781 CB THR A 46 -4.293 -14.365 -5.515 1.00 0.00 C ATOM 782 OG1 THR A 46 -3.021 -14.920 -5.818 1.00 0.00 O ATOM 783 CG2 THR A 46 -5.003 -13.975 -6.812 1.00 0.00 C ATOM 0 H THR A 46 -2.616 -12.573 -6.060 1.00 0.00 H new ATOM 0 HA THR A 46 -5.013 -12.518 -4.681 1.00 0.00 H new ATOM 0 HB THR A 46 -4.895 -15.101 -4.983 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.136 -15.715 -6.380 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.132 -14.859 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.979 -13.549 -6.579 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.404 -13.238 -7.347 1.00 0.00 H new ATOM 791 N ARG A 47 -2.589 -13.555 -2.804 1.00 0.00 N ATOM 792 CA ARG A 47 -2.224 -13.948 -1.415 1.00 0.00 C ATOM 793 C ARG A 47 -2.979 -13.059 -0.423 1.00 0.00 C ATOM 794 O ARG A 47 -2.489 -12.030 -0.002 1.00 0.00 O ATOM 795 CB ARG A 47 -0.712 -13.765 -1.216 1.00 0.00 C ATOM 796 CG ARG A 47 -0.254 -12.444 -1.845 1.00 0.00 C ATOM 797 CD ARG A 47 0.947 -11.897 -1.070 1.00 0.00 C ATOM 798 NE ARG A 47 0.520 -11.532 0.311 1.00 0.00 N ATOM 799 CZ ARG A 47 1.416 -11.270 1.222 1.00 0.00 C ATOM 800 NH1 ARG A 47 2.686 -11.329 0.926 1.00 0.00 N ATOM 801 NH2 ARG A 47 1.042 -10.950 2.431 1.00 0.00 N ATOM 0 H ARG A 47 -1.801 -13.294 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.491 -14.991 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.474 -13.772 -0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.174 -14.598 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.015 -12.601 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.069 -11.721 -1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.740 -12.644 -1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.355 -11.024 -1.579 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.472 -11.487 0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.978 -11.580 -0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.386 -11.124 1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.050 -10.905 2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.742 -10.745 3.144 1.00 0.00 H new ATOM 815 N GLU A 48 -4.168 -13.443 -0.045 1.00 0.00 N ATOM 816 CA GLU A 48 -4.944 -12.609 0.916 1.00 0.00 C ATOM 817 C GLU A 48 -6.014 -13.466 1.596 1.00 0.00 C ATOM 818 O GLU A 48 -6.426 -14.488 1.085 1.00 0.00 O ATOM 819 CB GLU A 48 -5.618 -11.459 0.161 1.00 0.00 C ATOM 820 CG GLU A 48 -6.593 -12.023 -0.887 1.00 0.00 C ATOM 821 CD GLU A 48 -6.385 -11.309 -2.226 1.00 0.00 C ATOM 822 OE1 GLU A 48 -5.246 -11.213 -2.653 1.00 0.00 O ATOM 823 OE2 GLU A 48 -7.369 -10.873 -2.802 1.00 0.00 O ATOM 0 H GLU A 48 -4.634 -14.294 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.270 -12.207 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.153 -10.817 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.864 -10.841 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.433 -13.094 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.621 -11.890 -0.549 1.00 0.00 H new ATOM 830 N ALA A 49 -6.467 -13.052 2.750 1.00 0.00 N ATOM 831 CA ALA A 49 -7.512 -13.831 3.473 1.00 0.00 C ATOM 832 C ALA A 49 -8.461 -12.858 4.177 1.00 0.00 C ATOM 833 O ALA A 49 -8.620 -12.890 5.381 1.00 0.00 O ATOM 834 CB ALA A 49 -6.847 -14.737 4.511 1.00 0.00 C ATOM 0 H ALA A 49 -6.156 -12.204 3.224 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.070 -14.444 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.611 -15.307 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.164 -15.423 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.291 -14.127 5.223 1.00 0.00 H new ATOM 840 N GLY A 50 -9.087 -11.989 3.432 1.00 0.00 N ATOM 841 CA GLY A 50 -10.021 -11.003 4.048 1.00 0.00 C ATOM 842 C GLY A 50 -9.974 -9.703 3.248 1.00 0.00 C ATOM 843 O GLY A 50 -8.992 -9.398 2.601 1.00 0.00 O ATOM 0 H GLY A 50 -8.992 -11.919 2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.035 -11.402 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.741 -10.817 5.085 1.00 0.00 H new ATOM 847 N VAL A 51 -11.027 -8.935 3.278 1.00 0.00 N ATOM 848 CA VAL A 51 -11.037 -7.660 2.510 1.00 0.00 C ATOM 849 C VAL A 51 -10.244 -6.591 3.264 1.00 0.00 C ATOM 850 O VAL A 51 -9.525 -5.813 2.675 1.00 0.00 O ATOM 851 CB VAL A 51 -12.477 -7.185 2.324 1.00 0.00 C ATOM 852 CG1 VAL A 51 -13.257 -8.226 1.517 1.00 0.00 C ATOM 853 CG2 VAL A 51 -13.136 -7.004 3.693 1.00 0.00 C ATOM 0 H VAL A 51 -11.880 -9.135 3.800 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.578 -7.828 1.536 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.480 -6.234 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.285 -7.888 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.788 -8.356 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.254 -9.177 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.163 -6.665 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -13.133 -7.954 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.581 -6.263 4.269 1.00 0.00 H new ATOM 863 N ARG A 52 -10.372 -6.544 4.563 1.00 0.00 N ATOM 864 CA ARG A 52 -9.624 -5.519 5.350 1.00 0.00 C ATOM 865 C ARG A 52 -8.184 -5.427 4.838 1.00 0.00 C ATOM 866 O ARG A 52 -7.745 -4.397 4.363 1.00 0.00 O ATOM 867 CB ARG A 52 -9.616 -5.918 6.829 1.00 0.00 C ATOM 868 CG ARG A 52 -9.116 -4.744 7.682 1.00 0.00 C ATOM 869 CD ARG A 52 -10.293 -3.844 8.070 1.00 0.00 C ATOM 870 NE ARG A 52 -11.229 -4.600 8.949 1.00 0.00 N ATOM 871 CZ ARG A 52 -12.118 -3.960 9.659 1.00 0.00 C ATOM 872 NH1 ARG A 52 -12.191 -2.659 9.594 1.00 0.00 N ATOM 873 NH2 ARG A 52 -12.936 -4.622 10.431 1.00 0.00 N ATOM 0 H ARG A 52 -10.961 -7.169 5.113 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.110 -4.550 5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.619 -6.206 7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.974 -6.786 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.622 -5.119 8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.375 -4.169 7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.930 -2.955 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.814 -3.502 7.175 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.175 -5.617 8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.553 -2.142 8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.886 -2.159 10.149 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.881 -5.639 10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.631 -4.122 10.986 1.00 0.00 H new ATOM 887 N SER A 53 -7.444 -6.498 4.930 1.00 0.00 N ATOM 888 CA SER A 53 -6.036 -6.470 4.447 1.00 0.00 C ATOM 889 C SER A 53 -6.012 -6.098 2.966 1.00 0.00 C ATOM 890 O SER A 53 -5.181 -5.331 2.522 1.00 0.00 O ATOM 891 CB SER A 53 -5.403 -7.846 4.631 1.00 0.00 C ATOM 892 OG SER A 53 -5.430 -8.196 6.008 1.00 0.00 O ATOM 0 H SER A 53 -7.753 -7.389 5.318 1.00 0.00 H new ATOM 0 HA SER A 53 -5.474 -5.732 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.944 -8.589 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.376 -7.838 4.266 1.00 0.00 H new ATOM 0 HG SER A 53 -5.025 -9.080 6.129 1.00 0.00 H new ATOM 898 N LEU A 54 -6.920 -6.629 2.197 1.00 0.00 N ATOM 899 CA LEU A 54 -6.945 -6.295 0.748 1.00 0.00 C ATOM 900 C LEU A 54 -6.943 -4.775 0.604 1.00 0.00 C ATOM 901 O LEU A 54 -6.062 -4.194 0.000 1.00 0.00 O ATOM 902 CB LEU A 54 -8.213 -6.873 0.111 1.00 0.00 C ATOM 903 CG LEU A 54 -8.025 -6.992 -1.407 1.00 0.00 C ATOM 904 CD1 LEU A 54 -7.377 -8.339 -1.741 1.00 0.00 C ATOM 905 CD2 LEU A 54 -9.387 -6.900 -2.098 1.00 0.00 C ATOM 0 H LEU A 54 -7.643 -7.277 2.508 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.074 -6.719 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.431 -7.852 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.066 -6.232 0.332 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.382 -6.184 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.244 -8.421 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.406 -8.408 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.018 -9.148 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.254 -6.984 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.028 -7.708 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.850 -5.942 -1.863 1.00 0.00 H new ATOM 917 N GLU A 55 -7.918 -4.127 1.175 1.00 0.00 N ATOM 918 CA GLU A 55 -7.978 -2.645 1.099 1.00 0.00 C ATOM 919 C GLU A 55 -6.627 -2.076 1.532 1.00 0.00 C ATOM 920 O GLU A 55 -6.141 -1.115 0.972 1.00 0.00 O ATOM 921 CB GLU A 55 -9.076 -2.127 2.032 1.00 0.00 C ATOM 922 CG GLU A 55 -10.408 -2.796 1.680 1.00 0.00 C ATOM 923 CD GLU A 55 -11.399 -2.594 2.829 1.00 0.00 C ATOM 924 OE1 GLU A 55 -11.712 -1.451 3.121 1.00 0.00 O ATOM 925 OE2 GLU A 55 -11.828 -3.586 3.396 1.00 0.00 O ATOM 0 H GLU A 55 -8.680 -4.564 1.694 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.202 -2.334 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.815 -2.337 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.165 -1.045 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.809 -2.370 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.256 -3.860 1.499 1.00 0.00 H new ATOM 932 N ARG A 56 -6.017 -2.661 2.529 1.00 0.00 N ATOM 933 CA ARG A 56 -4.698 -2.147 2.994 1.00 0.00 C ATOM 934 C ARG A 56 -3.675 -2.264 1.863 1.00 0.00 C ATOM 935 O ARG A 56 -2.865 -1.384 1.654 1.00 0.00 O ATOM 936 CB ARG A 56 -4.224 -2.967 4.198 1.00 0.00 C ATOM 937 CG ARG A 56 -3.099 -2.219 4.925 1.00 0.00 C ATOM 938 CD ARG A 56 -2.186 -3.224 5.638 1.00 0.00 C ATOM 939 NE ARG A 56 -2.980 -4.418 6.047 1.00 0.00 N ATOM 940 CZ ARG A 56 -2.378 -5.553 6.277 1.00 0.00 C ATOM 941 NH1 ARG A 56 -1.081 -5.640 6.154 1.00 0.00 N ATOM 942 NH2 ARG A 56 -3.071 -6.601 6.629 1.00 0.00 N ATOM 0 H ARG A 56 -6.374 -3.469 3.039 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.800 -1.101 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.056 -3.143 4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.870 -3.944 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.521 -1.630 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.521 -1.521 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.373 -3.524 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.731 -2.760 6.513 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.993 -4.348 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.539 -4.821 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.610 -6.527 6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.084 -6.534 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.599 -7.487 6.808 1.00 0.00 H new ATOM 956 N GLN A 57 -3.700 -3.345 1.132 1.00 0.00 N ATOM 957 CA GLN A 57 -2.724 -3.511 0.019 1.00 0.00 C ATOM 958 C GLN A 57 -2.942 -2.406 -1.017 1.00 0.00 C ATOM 959 O GLN A 57 -2.012 -1.753 -1.449 1.00 0.00 O ATOM 960 CB GLN A 57 -2.926 -4.882 -0.638 1.00 0.00 C ATOM 961 CG GLN A 57 -1.648 -5.294 -1.376 1.00 0.00 C ATOM 962 CD GLN A 57 -0.617 -5.806 -0.367 1.00 0.00 C ATOM 963 OE1 GLN A 57 -0.932 -6.014 0.789 1.00 0.00 O ATOM 964 NE2 GLN A 57 0.610 -6.016 -0.755 1.00 0.00 N ATOM 0 H GLN A 57 -4.353 -4.119 1.257 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.709 -3.445 0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.176 -5.625 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.763 -4.842 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.872 -6.070 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.243 -4.444 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.875 -5.842 -1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.305 -6.354 -0.089 1.00 0.00 H new ATOM 973 N LEU A 58 -4.166 -2.190 -1.417 1.00 0.00 N ATOM 974 CA LEU A 58 -4.439 -1.123 -2.422 1.00 0.00 C ATOM 975 C LEU A 58 -4.079 0.233 -1.819 1.00 0.00 C ATOM 976 O LEU A 58 -3.407 1.037 -2.430 1.00 0.00 O ATOM 977 CB LEU A 58 -5.920 -1.142 -2.806 1.00 0.00 C ATOM 978 CG LEU A 58 -6.389 -2.588 -2.959 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.821 -2.610 -3.499 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.466 -3.324 -3.934 1.00 0.00 C ATOM 0 H LEU A 58 -4.985 -2.704 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.839 -1.298 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.511 -0.636 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.072 -0.599 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.361 -3.081 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.153 -3.642 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.480 -2.088 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.851 -2.115 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.800 -4.356 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.493 -2.829 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.446 -3.312 -3.549 1.00 0.00 H new ATOM 992 N ALA A 59 -4.508 0.490 -0.617 1.00 0.00 N ATOM 993 CA ALA A 59 -4.169 1.786 0.023 1.00 0.00 C ATOM 994 C ALA A 59 -2.649 1.932 0.038 1.00 0.00 C ATOM 995 O ALA A 59 -2.110 3.004 -0.152 1.00 0.00 O ATOM 996 CB ALA A 59 -4.704 1.807 1.456 1.00 0.00 C ATOM 0 H ALA A 59 -5.077 -0.140 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.619 2.609 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.454 2.759 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.787 1.683 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.253 0.994 2.025 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.957 0.850 0.272 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.468 0.899 0.317 1.00 0.00 C ATOM 1004 C ALA A 60 0.091 1.368 -1.030 1.00 0.00 C ATOM 1005 O ALA A 60 0.802 2.347 -1.102 1.00 0.00 O ATOM 1006 CB ALA A 60 0.077 -0.495 0.631 1.00 0.00 C ATOM 0 H ALA A 60 -2.362 -0.072 0.435 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.162 1.602 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.166 -0.461 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.305 -0.826 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.241 -1.193 -0.144 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.204 0.674 -2.096 1.00 0.00 N ATOM 1013 CA ILE A 61 0.340 1.092 -3.422 1.00 0.00 C ATOM 1014 C ILE A 61 -0.095 2.531 -3.733 1.00 0.00 C ATOM 1015 O ILE A 61 0.687 3.343 -4.193 1.00 0.00 O ATOM 1016 CB ILE A 61 -0.164 0.129 -4.515 1.00 0.00 C ATOM 1017 CG1 ILE A 61 0.862 0.062 -5.651 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.507 0.605 -5.080 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.310 -0.800 -6.791 1.00 0.00 C ATOM 0 H ILE A 61 -0.794 -0.158 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 61 1.429 1.056 -3.396 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.297 -0.858 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.083 1.065 -6.015 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.799 -0.358 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.844 -0.089 -5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.245 0.645 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.388 1.598 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.041 -0.847 -7.598 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.111 -1.806 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.615 -0.361 -7.164 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.336 2.848 -3.491 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.826 4.224 -3.780 1.00 0.00 C ATOM 1033 C CYS A 62 -0.954 5.255 -3.056 1.00 0.00 C ATOM 1034 O CYS A 62 -0.205 5.988 -3.671 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.277 4.353 -3.308 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.387 3.839 -4.641 1.00 0.00 S ATOM 0 H CYS A 62 -2.034 2.212 -3.105 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.772 4.408 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.440 3.736 -2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.488 5.383 -3.020 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.946 2.708 -4.328 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.050 5.329 -1.758 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.229 6.327 -1.018 1.00 0.00 C ATOM 1044 C ARG A 63 1.244 6.148 -1.371 1.00 0.00 C ATOM 1045 O ARG A 63 1.937 7.106 -1.646 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.424 6.151 0.482 1.00 0.00 C ATOM 1047 CG ARG A 63 0.191 4.823 0.933 1.00 0.00 C ATOM 1048 CD ARG A 63 -0.351 4.450 2.314 1.00 0.00 C ATOM 1049 NE ARG A 63 -0.018 5.528 3.287 1.00 0.00 N ATOM 1050 CZ ARG A 63 -0.150 5.316 4.567 1.00 0.00 C ATOM 1051 NH1 ARG A 63 -0.570 4.158 4.997 1.00 0.00 N ATOM 1052 NH2 ARG A 63 0.138 6.262 5.418 1.00 0.00 N ATOM 0 H ARG A 63 -1.657 4.746 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.547 7.330 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.041 6.978 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.486 6.171 0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.045 4.038 0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.277 4.907 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.431 4.309 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.080 3.504 2.642 1.00 0.00 H new ATOM 0 HE ARG A 63 0.313 6.433 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.795 3.418 4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.673 3.993 5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.466 7.167 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.035 6.096 6.419 1.00 0.00 H new ATOM 1066 N LYS A 64 1.734 4.933 -1.385 1.00 0.00 N ATOM 1067 CA LYS A 64 3.165 4.725 -1.749 1.00 0.00 C ATOM 1068 C LYS A 64 3.461 5.616 -2.950 1.00 0.00 C ATOM 1069 O LYS A 64 4.502 6.237 -3.046 1.00 0.00 O ATOM 1070 CB LYS A 64 3.405 3.256 -2.116 1.00 0.00 C ATOM 1071 CG LYS A 64 4.900 3.018 -2.375 1.00 0.00 C ATOM 1072 CD LYS A 64 5.611 2.704 -1.055 1.00 0.00 C ATOM 1073 CE LYS A 64 7.095 2.445 -1.320 1.00 0.00 C ATOM 1074 NZ LYS A 64 7.682 1.700 -0.172 1.00 0.00 N ATOM 0 H LYS A 64 1.210 4.087 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 64 3.816 4.975 -0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.060 2.610 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.828 2.995 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.030 2.192 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.344 3.900 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.495 3.536 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.158 1.831 -0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.217 1.872 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.620 3.390 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.691 1.524 -0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.578 2.263 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.187 0.792 -0.058 1.00 0.00 H new ATOM 1088 N ALA A 65 2.523 5.701 -3.852 1.00 0.00 N ATOM 1089 CA ALA A 65 2.703 6.571 -5.040 1.00 0.00 C ATOM 1090 C ALA A 65 2.589 8.032 -4.596 1.00 0.00 C ATOM 1091 O ALA A 65 3.302 8.892 -5.074 1.00 0.00 O ATOM 1092 CB ALA A 65 1.616 6.264 -6.073 1.00 0.00 C ATOM 0 H ALA A 65 1.635 5.201 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 65 3.680 6.391 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.751 6.905 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.687 5.219 -6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.635 6.449 -5.635 1.00 0.00 H new ATOM 1098 N ALA A 66 1.693 8.321 -3.684 1.00 0.00 N ATOM 1099 CA ALA A 66 1.540 9.730 -3.217 1.00 0.00 C ATOM 1100 C ALA A 66 2.858 10.216 -2.608 1.00 0.00 C ATOM 1101 O ALA A 66 3.269 11.340 -2.810 1.00 0.00 O ATOM 1102 CB ALA A 66 0.435 9.800 -2.161 1.00 0.00 C ATOM 0 H ALA A 66 1.066 7.646 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 66 1.277 10.364 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.323 10.829 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.505 9.457 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.698 9.164 -1.316 1.00 0.00 H new ATOM 1108 N LYS A 67 3.523 9.376 -1.863 1.00 0.00 N ATOM 1109 CA LYS A 67 4.813 9.790 -1.240 1.00 0.00 C ATOM 1110 C LYS A 67 5.902 9.848 -2.312 1.00 0.00 C ATOM 1111 O LYS A 67 6.741 10.727 -2.315 1.00 0.00 O ATOM 1112 CB LYS A 67 5.209 8.775 -0.165 1.00 0.00 C ATOM 1113 CG LYS A 67 4.053 8.603 0.823 1.00 0.00 C ATOM 1114 CD LYS A 67 4.469 7.633 1.933 1.00 0.00 C ATOM 1115 CE LYS A 67 3.393 7.602 3.026 1.00 0.00 C ATOM 1116 NZ LYS A 67 3.242 6.207 3.530 1.00 0.00 N ATOM 0 H LYS A 67 3.229 8.421 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 67 4.698 10.774 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.454 7.818 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.102 9.114 0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.781 9.567 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.172 8.224 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.611 6.634 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.424 7.941 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.669 8.268 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.444 7.962 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.513 6.183 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.960 5.584 2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.147 5.880 3.924 1.00 0.00 H new ATOM 1130 N ALA A 68 5.895 8.915 -3.223 1.00 0.00 N ATOM 1131 CA ALA A 68 6.927 8.907 -4.299 1.00 0.00 C ATOM 1132 C ALA A 68 6.830 10.196 -5.117 1.00 0.00 C ATOM 1133 O ALA A 68 7.522 10.373 -6.098 1.00 0.00 O ATOM 1134 CB ALA A 68 6.696 7.705 -5.217 1.00 0.00 C ATOM 0 H ALA A 68 5.217 8.155 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 68 7.917 8.839 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.450 7.698 -6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.769 6.785 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.705 7.774 -5.665 1.00 0.00 H new ATOM 1140 N ILE A 69 5.975 11.098 -4.721 1.00 0.00 N ATOM 1141 CA ILE A 69 5.831 12.375 -5.476 1.00 0.00 C ATOM 1142 C ILE A 69 7.094 13.225 -5.292 1.00 0.00 C ATOM 1143 O ILE A 69 7.050 14.438 -5.316 1.00 0.00 O ATOM 1144 CB ILE A 69 4.603 13.134 -4.955 1.00 0.00 C ATOM 1145 CG1 ILE A 69 4.195 14.219 -5.965 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.923 13.781 -3.599 1.00 0.00 C ATOM 1147 CD1 ILE A 69 3.238 13.627 -7.004 1.00 0.00 C ATOM 0 H ILE A 69 5.369 11.006 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 69 5.699 12.164 -6.537 1.00 0.00 H new ATOM 0 HB ILE A 69 3.778 12.432 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.715 15.049 -5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.080 14.620 -6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.046 14.318 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.197 13.007 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.753 14.478 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.952 14.400 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.733 12.812 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.347 13.248 -6.504 1.00 0.00 H new ATOM 1159 N VAL A 70 8.222 12.595 -5.112 1.00 0.00 N ATOM 1160 CA VAL A 70 9.486 13.362 -4.929 1.00 0.00 C ATOM 1161 C VAL A 70 9.624 14.398 -6.047 1.00 0.00 C ATOM 1162 O VAL A 70 10.486 15.253 -6.011 1.00 0.00 O ATOM 1163 CB VAL A 70 10.676 12.403 -4.976 1.00 0.00 C ATOM 1164 CG1 VAL A 70 11.936 13.122 -4.490 1.00 0.00 C ATOM 1165 CG2 VAL A 70 10.396 11.199 -4.074 1.00 0.00 C ATOM 0 H VAL A 70 8.323 11.580 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 70 9.464 13.869 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 70 10.826 12.064 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.782 12.436 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.137 13.979 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.788 13.464 -3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.244 10.515 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.244 11.539 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.501 10.684 -4.422 1.00 0.00 H new ATOM 1175 N ALA A 71 8.782 14.326 -7.043 1.00 0.00 N ATOM 1176 CA ALA A 71 8.866 15.306 -8.164 1.00 0.00 C ATOM 1177 C ALA A 71 8.668 16.722 -7.620 1.00 0.00 C ATOM 1178 O ALA A 71 9.075 17.038 -6.521 1.00 0.00 O ATOM 1179 CB ALA A 71 7.777 14.998 -9.194 1.00 0.00 C ATOM 0 H ALA A 71 8.040 13.631 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 71 9.845 15.233 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.838 15.714 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.918 13.989 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.798 15.071 -8.721 1.00 0.00 H new ATOM 1185 N GLU A 72 8.044 17.577 -8.386 1.00 0.00 N ATOM 1186 CA GLU A 72 7.816 18.979 -7.922 1.00 0.00 C ATOM 1187 C GLU A 72 6.348 19.355 -8.133 1.00 0.00 C ATOM 1188 O GLU A 72 5.651 19.715 -7.204 1.00 0.00 O ATOM 1189 CB GLU A 72 8.709 19.931 -8.724 1.00 0.00 C ATOM 1190 CG GLU A 72 8.868 21.250 -7.962 1.00 0.00 C ATOM 1191 CD GLU A 72 9.428 22.319 -8.902 1.00 0.00 C ATOM 1192 OE1 GLU A 72 9.715 21.989 -10.040 1.00 0.00 O ATOM 1193 OE2 GLU A 72 9.559 23.451 -8.467 1.00 0.00 O ATOM 0 H GLU A 72 7.681 17.365 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 72 8.060 19.056 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.685 19.476 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.272 20.116 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.905 21.570 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.536 21.113 -7.112 1.00 0.00 H new ATOM 1200 N GLU A 73 5.873 19.282 -9.346 1.00 0.00 N ATOM 1201 CA GLU A 73 4.450 19.641 -9.612 1.00 0.00 C ATOM 1202 C GLU A 73 3.912 18.792 -10.767 1.00 0.00 C ATOM 1203 O GLU A 73 4.483 18.751 -11.838 1.00 0.00 O ATOM 1204 CB GLU A 73 4.364 21.123 -9.987 1.00 0.00 C ATOM 1205 CG GLU A 73 4.521 21.980 -8.730 1.00 0.00 C ATOM 1206 CD GLU A 73 4.375 23.457 -9.099 1.00 0.00 C ATOM 1207 OE1 GLU A 73 4.887 23.841 -10.138 1.00 0.00 O ATOM 1208 OE2 GLU A 73 3.755 24.180 -8.336 1.00 0.00 O ATOM 0 H GLU A 73 6.408 18.990 -10.164 1.00 0.00 H new ATOM 0 HA GLU A 73 3.855 19.453 -8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.142 21.372 -10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.407 21.333 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.769 21.703 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.495 21.802 -8.275 1.00 0.00 H new ATOM 1215 N ARG A 74 2.815 18.120 -10.556 1.00 0.00 N ATOM 1216 CA ARG A 74 2.235 17.277 -11.641 1.00 0.00 C ATOM 1217 C ARG A 74 0.757 17.014 -11.342 1.00 0.00 C ATOM 1218 O ARG A 74 0.312 17.124 -10.216 1.00 0.00 O ATOM 1219 CB ARG A 74 2.988 15.944 -11.714 1.00 0.00 C ATOM 1220 CG ARG A 74 2.798 15.317 -13.101 1.00 0.00 C ATOM 1221 CD ARG A 74 2.961 13.798 -13.008 1.00 0.00 C ATOM 1222 NE ARG A 74 2.785 13.197 -14.362 1.00 0.00 N ATOM 1223 CZ ARG A 74 2.344 11.973 -14.487 1.00 0.00 C ATOM 1224 NH1 ARG A 74 2.069 11.264 -13.426 1.00 0.00 N ATOM 1225 NH2 ARG A 74 2.184 11.457 -15.673 1.00 0.00 N ATOM 0 H ARG A 74 2.294 18.117 -9.679 1.00 0.00 H new ATOM 0 HA ARG A 74 2.328 17.796 -12.595 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.048 16.103 -11.519 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.621 15.265 -10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.810 15.563 -13.490 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.527 15.728 -13.799 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.946 13.550 -12.613 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.227 13.384 -12.316 1.00 0.00 H new ATOM 0 HE ARG A 74 3.010 13.743 -15.193 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.198 11.665 -12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.725 10.309 -13.526 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.403 12.008 -16.503 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.840 10.502 -15.771 1.00 0.00 H new ATOM 1239 N LYS A 75 -0.009 16.666 -12.340 1.00 0.00 N ATOM 1240 CA LYS A 75 -1.456 16.396 -12.106 1.00 0.00 C ATOM 1241 C LYS A 75 -1.607 15.137 -11.252 1.00 0.00 C ATOM 1242 O LYS A 75 -0.647 14.617 -10.720 1.00 0.00 O ATOM 1243 CB LYS A 75 -2.159 16.191 -13.450 1.00 0.00 C ATOM 1244 CG LYS A 75 -1.991 17.444 -14.311 1.00 0.00 C ATOM 1245 CD LYS A 75 -2.673 17.229 -15.663 1.00 0.00 C ATOM 1246 CE LYS A 75 -2.518 18.486 -16.522 1.00 0.00 C ATOM 1247 NZ LYS A 75 -3.274 19.610 -15.901 1.00 0.00 N ATOM 0 H LYS A 75 0.304 16.557 -13.305 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.906 17.242 -11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.740 15.326 -13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.218 15.986 -13.291 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.426 18.306 -13.806 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.932 17.659 -14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.232 16.372 -16.172 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.730 17.004 -15.517 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.464 18.749 -16.613 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.888 18.298 -17.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.443 20.350 -16.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.185 19.259 -15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.722 20.007 -15.114 1.00 0.00 H new ATOM 1261 N ARG A 76 -2.807 14.644 -11.111 1.00 0.00 N ATOM 1262 CA ARG A 76 -3.021 13.421 -10.287 1.00 0.00 C ATOM 1263 C ARG A 76 -2.110 12.295 -10.790 1.00 0.00 C ATOM 1264 O ARG A 76 -1.723 12.265 -11.941 1.00 0.00 O ATOM 1265 CB ARG A 76 -4.488 12.984 -10.385 1.00 0.00 C ATOM 1266 CG ARG A 76 -5.385 14.213 -10.587 1.00 0.00 C ATOM 1267 CD ARG A 76 -5.523 14.522 -12.084 1.00 0.00 C ATOM 1268 NE ARG A 76 -5.693 15.990 -12.273 1.00 0.00 N ATOM 1269 CZ ARG A 76 -6.096 16.458 -13.422 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -6.351 15.640 -14.407 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -6.245 17.744 -13.587 1.00 0.00 N ATOM 0 H ARG A 76 -3.650 15.036 -11.532 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.780 13.640 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.615 12.289 -11.215 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.780 12.454 -9.478 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.368 14.031 -10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.961 15.072 -10.067 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.640 14.175 -12.621 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.379 13.989 -12.499 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.494 16.629 -11.504 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.235 14.635 -14.278 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.666 16.006 -15.305 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.046 18.383 -12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.560 18.110 -14.486 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.768 11.370 -9.934 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.884 10.247 -10.362 1.00 0.00 C ATOM 1287 C ILE A 77 -1.730 9.153 -11.019 1.00 0.00 C ATOM 1288 O ILE A 77 -2.578 8.548 -10.391 1.00 0.00 O ATOM 1289 CB ILE A 77 -0.161 9.670 -9.143 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.382 10.815 -8.285 1.00 0.00 C ATOM 1291 CG2 ILE A 77 0.999 8.788 -9.609 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.223 10.245 -7.143 1.00 0.00 C ATOM 0 H ILE A 77 -2.062 11.343 -8.958 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.149 10.617 -11.077 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.858 9.073 -8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.986 11.486 -8.896 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.442 11.405 -7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.515 8.377 -8.741 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.613 7.973 -10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.697 9.385 -10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.609 11.062 -6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.605 9.592 -6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.056 9.674 -7.554 1.00 0.00 H new ATOM 1304 N THR A 78 -1.508 8.895 -12.280 1.00 0.00 N ATOM 1305 CA THR A 78 -2.298 7.841 -12.979 1.00 0.00 C ATOM 1306 C THR A 78 -1.602 6.488 -12.813 1.00 0.00 C ATOM 1307 O THR A 78 -0.412 6.364 -13.027 1.00 0.00 O ATOM 1308 CB THR A 78 -2.398 8.183 -14.468 1.00 0.00 C ATOM 1309 OG1 THR A 78 -2.677 9.569 -14.615 1.00 0.00 O ATOM 1310 CG2 THR A 78 -3.520 7.364 -15.108 1.00 0.00 C ATOM 0 H THR A 78 -0.813 9.369 -12.857 1.00 0.00 H new ATOM 0 HA THR A 78 -3.298 7.791 -12.549 1.00 0.00 H new ATOM 0 HB THR A 78 -1.454 7.947 -14.960 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.740 9.791 -15.567 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.590 7.609 -16.168 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.305 6.301 -14.994 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.466 7.598 -14.619 1.00 0.00 H new ATOM 1318 N VAL A 79 -2.333 5.474 -12.433 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.710 4.127 -12.253 1.00 0.00 C ATOM 1320 C VAL A 79 -2.050 3.240 -13.453 1.00 0.00 C ATOM 1321 O VAL A 79 -2.993 3.492 -14.178 1.00 0.00 O ATOM 1322 CB VAL A 79 -2.252 3.481 -10.974 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.271 2.415 -10.481 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -2.422 4.554 -9.895 1.00 0.00 C ATOM 0 H VAL A 79 -3.333 5.518 -12.239 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.628 4.236 -12.177 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.216 3.017 -11.183 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.659 1.957 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.148 1.651 -11.248 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.306 2.877 -10.272 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.808 4.096 -8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.458 5.018 -9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.122 5.313 -10.244 1.00 0.00 H new ATOM 1334 N THR A 80 -1.289 2.201 -13.668 1.00 0.00 N ATOM 1335 CA THR A 80 -1.567 1.296 -14.818 1.00 0.00 C ATOM 1336 C THR A 80 -0.908 -0.062 -14.566 1.00 0.00 C ATOM 1337 O THR A 80 0.011 -0.178 -13.777 1.00 0.00 O ATOM 1338 CB THR A 80 -0.997 1.912 -16.099 1.00 0.00 C ATOM 1339 OG1 THR A 80 -1.298 3.300 -16.129 1.00 0.00 O ATOM 1340 CG2 THR A 80 -1.618 1.227 -17.318 1.00 0.00 C ATOM 0 H THR A 80 -0.486 1.940 -13.096 1.00 0.00 H new ATOM 0 HA THR A 80 -2.643 1.163 -14.927 1.00 0.00 H new ATOM 0 HB THR A 80 0.084 1.773 -16.119 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.178 3.453 -15.725 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.211 1.667 -18.229 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.386 0.162 -17.294 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.699 1.364 -17.301 1.00 0.00 H new ATOM 1348 N GLU A 81 -1.365 -1.089 -15.227 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.759 -2.435 -15.020 1.00 0.00 C ATOM 1350 C GLU A 81 0.765 -2.324 -15.104 1.00 0.00 C ATOM 1351 O GLU A 81 1.487 -3.121 -14.540 1.00 0.00 O ATOM 1352 CB GLU A 81 -1.272 -3.399 -16.097 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.639 -3.056 -17.452 1.00 0.00 C ATOM 1354 CD GLU A 81 0.716 -3.757 -17.581 1.00 0.00 C ATOM 1355 OE1 GLU A 81 0.721 -4.958 -17.797 1.00 0.00 O ATOM 1356 OE2 GLU A 81 1.724 -3.083 -17.460 1.00 0.00 O ATOM 0 H GLU A 81 -2.130 -1.055 -15.900 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.038 -2.816 -14.038 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.030 -4.426 -15.823 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.358 -3.335 -16.167 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.299 -3.367 -18.262 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.511 -1.977 -17.542 1.00 0.00 H new ATOM 1363 N LYS A 82 1.258 -1.334 -15.798 1.00 0.00 N ATOM 1364 CA LYS A 82 2.734 -1.164 -15.913 1.00 0.00 C ATOM 1365 C LYS A 82 3.239 -0.327 -14.736 1.00 0.00 C ATOM 1366 O LYS A 82 4.121 -0.732 -14.005 1.00 0.00 O ATOM 1367 CB LYS A 82 3.067 -0.450 -17.227 1.00 0.00 C ATOM 1368 CG LYS A 82 4.576 -0.218 -17.311 1.00 0.00 C ATOM 1369 CD LYS A 82 4.949 0.201 -18.734 1.00 0.00 C ATOM 1370 CE LYS A 82 6.366 0.778 -18.741 1.00 0.00 C ATOM 1371 NZ LYS A 82 7.265 -0.107 -17.948 1.00 0.00 N ATOM 0 H LYS A 82 0.701 -0.635 -16.290 1.00 0.00 H new ATOM 0 HA LYS A 82 3.216 -2.142 -15.901 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.732 -1.049 -18.074 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.538 0.502 -17.281 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.876 0.554 -16.603 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.110 -1.127 -17.036 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.891 -0.657 -19.404 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.241 0.943 -19.104 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.731 0.862 -19.765 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.363 1.783 -18.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.247 0.023 -18.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.191 0.137 -16.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.985 -1.099 -18.086 1.00 0.00 H new ATOM 1385 N ASN A 83 2.679 0.837 -14.541 1.00 0.00 N ATOM 1386 CA ASN A 83 3.119 1.699 -13.408 1.00 0.00 C ATOM 1387 C ASN A 83 3.194 0.854 -12.133 1.00 0.00 C ATOM 1388 O ASN A 83 4.091 1.007 -11.324 1.00 0.00 O ATOM 1389 CB ASN A 83 2.111 2.846 -13.221 1.00 0.00 C ATOM 1390 CG ASN A 83 2.854 4.183 -13.135 1.00 0.00 C ATOM 1391 OD1 ASN A 83 2.603 4.975 -12.249 1.00 0.00 O ATOM 1392 ND2 ASN A 83 3.764 4.468 -14.026 1.00 0.00 N ATOM 0 H ASN A 83 1.935 1.228 -15.119 1.00 0.00 H new ATOM 0 HA ASN A 83 4.103 2.119 -13.619 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.408 2.863 -14.054 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.528 2.685 -12.314 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.264 5.356 -13.978 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.975 3.803 -14.770 1.00 0.00 H new ATOM 1399 N LEU A 84 2.255 -0.039 -11.949 1.00 0.00 N ATOM 1400 CA LEU A 84 2.263 -0.902 -10.732 1.00 0.00 C ATOM 1401 C LEU A 84 3.696 -1.348 -10.434 1.00 0.00 C ATOM 1402 O LEU A 84 4.137 -1.336 -9.304 1.00 0.00 O ATOM 1403 CB LEU A 84 1.380 -2.132 -10.975 1.00 0.00 C ATOM 1404 CG LEU A 84 1.563 -3.149 -9.833 1.00 0.00 C ATOM 1405 CD1 LEU A 84 0.204 -3.734 -9.441 1.00 0.00 C ATOM 1406 CD2 LEU A 84 2.482 -4.287 -10.293 1.00 0.00 C ATOM 0 H LEU A 84 1.481 -0.207 -12.592 1.00 0.00 H new ATOM 0 HA LEU A 84 1.875 -0.340 -9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.334 -1.831 -11.041 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.639 -2.593 -11.928 1.00 0.00 H new ATOM 0 HG LEU A 84 2.007 -2.643 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.337 -4.453 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.455 -2.932 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.239 -4.234 -10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.608 -5.004 -9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.038 -4.788 -11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.454 -3.880 -10.572 1.00 0.00 H new ATOM 1418 N GLN A 85 4.428 -1.737 -11.441 1.00 0.00 N ATOM 1419 CA GLN A 85 5.832 -2.175 -11.212 1.00 0.00 C ATOM 1420 C GLN A 85 6.628 -1.012 -10.616 1.00 0.00 C ATOM 1421 O GLN A 85 7.246 -1.136 -9.577 1.00 0.00 O ATOM 1422 CB GLN A 85 6.459 -2.596 -12.543 1.00 0.00 C ATOM 1423 CG GLN A 85 7.944 -2.903 -12.335 1.00 0.00 C ATOM 1424 CD GLN A 85 8.475 -3.695 -13.532 1.00 0.00 C ATOM 1425 OE1 GLN A 85 8.489 -4.910 -13.512 1.00 0.00 O ATOM 1426 NE2 GLN A 85 8.913 -3.054 -14.581 1.00 0.00 N ATOM 0 H GLN A 85 4.115 -1.770 -12.411 1.00 0.00 H new ATOM 0 HA GLN A 85 5.846 -3.020 -10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.947 -3.474 -12.936 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.341 -1.802 -13.280 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.505 -1.976 -12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.083 -3.474 -11.417 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.901 -2.034 -14.597 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.267 -3.573 -15.385 1.00 0.00 H new ATOM 1435 N ASP A 86 6.613 0.120 -11.264 1.00 0.00 N ATOM 1436 CA ASP A 86 7.366 1.293 -10.737 1.00 0.00 C ATOM 1437 C ASP A 86 7.089 1.455 -9.241 1.00 0.00 C ATOM 1438 O ASP A 86 7.972 1.773 -8.470 1.00 0.00 O ATOM 1439 CB ASP A 86 6.923 2.559 -11.475 1.00 0.00 C ATOM 1440 CG ASP A 86 7.701 3.761 -10.937 1.00 0.00 C ATOM 1441 OD1 ASP A 86 7.239 4.360 -9.980 1.00 0.00 O ATOM 1442 OD2 ASP A 86 8.745 4.061 -11.491 1.00 0.00 O ATOM 0 H ASP A 86 6.111 0.284 -12.137 1.00 0.00 H new ATOM 0 HA ASP A 86 8.433 1.134 -10.892 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.097 2.449 -12.545 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.853 2.715 -11.341 1.00 0.00 H new ATOM 1447 N PHE A 87 5.871 1.244 -8.822 1.00 0.00 N ATOM 1448 CA PHE A 87 5.551 1.393 -7.372 1.00 0.00 C ATOM 1449 C PHE A 87 5.980 0.133 -6.620 1.00 0.00 C ATOM 1450 O PHE A 87 6.942 0.136 -5.877 1.00 0.00 O ATOM 1451 CB PHE A 87 4.044 1.604 -7.197 1.00 0.00 C ATOM 1452 CG PHE A 87 3.624 2.887 -7.880 1.00 0.00 C ATOM 1453 CD1 PHE A 87 4.151 4.113 -7.455 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.705 2.849 -8.937 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.759 5.300 -8.087 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.314 4.037 -9.567 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.841 5.261 -9.143 1.00 0.00 C ATOM 0 H PHE A 87 5.087 0.976 -9.417 1.00 0.00 H new ATOM 0 HA PHE A 87 6.086 2.254 -6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.498 0.761 -7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.794 1.647 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.859 4.143 -6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.298 1.904 -9.266 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.165 6.246 -7.759 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.605 4.008 -10.381 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.540 6.176 -9.630 1.00 0.00 H new ATOM 1467 N ILE A 88 5.269 -0.945 -6.803 1.00 0.00 N ATOM 1468 CA ILE A 88 5.625 -2.207 -6.098 1.00 0.00 C ATOM 1469 C ILE A 88 7.008 -2.685 -6.563 1.00 0.00 C ATOM 1470 O ILE A 88 7.916 -2.840 -5.771 1.00 0.00 O ATOM 1471 CB ILE A 88 4.548 -3.262 -6.400 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.576 -3.357 -5.218 1.00 0.00 C ATOM 1473 CG2 ILE A 88 5.178 -4.637 -6.642 1.00 0.00 C ATOM 1474 CD1 ILE A 88 2.309 -4.092 -5.658 1.00 0.00 C ATOM 0 H ILE A 88 4.454 -1.006 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 88 5.668 -2.041 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 88 4.016 -2.957 -7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.046 -3.885 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.324 -2.359 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.394 -5.364 -6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.859 -4.581 -7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.730 -4.946 -5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.618 -4.160 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.836 -3.546 -6.474 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.569 -5.095 -5.996 1.00 0.00 H new ATOM 1486 N GLY A 89 7.173 -2.927 -7.839 1.00 0.00 N ATOM 1487 CA GLY A 89 8.494 -3.401 -8.353 1.00 0.00 C ATOM 1488 C GLY A 89 8.364 -4.849 -8.828 1.00 0.00 C ATOM 1489 O GLY A 89 7.711 -5.134 -9.812 1.00 0.00 O ATOM 0 H GLY A 89 6.448 -2.817 -8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.826 -2.766 -9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.248 -3.330 -7.569 1.00 0.00 H new ATOM 1493 N LYS A 90 8.980 -5.766 -8.136 1.00 0.00 N ATOM 1494 CA LYS A 90 8.893 -7.199 -8.545 1.00 0.00 C ATOM 1495 C LYS A 90 7.657 -7.836 -7.903 1.00 0.00 C ATOM 1496 O LYS A 90 7.293 -7.520 -6.788 1.00 0.00 O ATOM 1497 CB LYS A 90 10.155 -7.939 -8.082 1.00 0.00 C ATOM 1498 CG LYS A 90 11.233 -7.852 -9.166 1.00 0.00 C ATOM 1499 CD LYS A 90 11.556 -6.383 -9.451 1.00 0.00 C ATOM 1500 CE LYS A 90 12.827 -6.295 -10.297 1.00 0.00 C ATOM 1501 NZ LYS A 90 12.932 -4.933 -10.894 1.00 0.00 N ATOM 0 H LYS A 90 9.541 -5.587 -7.303 1.00 0.00 H new ATOM 0 HA LYS A 90 8.813 -7.266 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.524 -7.503 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.920 -8.983 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.132 -8.376 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.888 -8.342 -10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.724 -5.912 -9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.691 -5.841 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.702 -6.502 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.806 -7.048 -11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.796 -4.872 -11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.102 -4.752 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.971 -4.223 -10.135 1.00 0.00 H new ATOM 1515 N ARG A 91 7.009 -8.731 -8.600 1.00 0.00 N ATOM 1516 CA ARG A 91 5.797 -9.388 -8.032 1.00 0.00 C ATOM 1517 C ARG A 91 6.200 -10.690 -7.334 1.00 0.00 C ATOM 1518 O ARG A 91 7.365 -11.014 -7.230 1.00 0.00 O ATOM 1519 CB ARG A 91 4.808 -9.704 -9.160 1.00 0.00 C ATOM 1520 CG ARG A 91 4.281 -8.401 -9.779 1.00 0.00 C ATOM 1521 CD ARG A 91 5.195 -7.957 -10.926 1.00 0.00 C ATOM 1522 NE ARG A 91 4.598 -6.775 -11.607 1.00 0.00 N ATOM 1523 CZ ARG A 91 5.029 -6.414 -12.784 1.00 0.00 C ATOM 1524 NH1 ARG A 91 5.981 -7.089 -13.367 1.00 0.00 N ATOM 1525 NH2 ARG A 91 4.508 -5.376 -13.380 1.00 0.00 N ATOM 0 H ARG A 91 7.267 -9.035 -9.539 1.00 0.00 H new ATOM 0 HA ARG A 91 5.328 -8.717 -7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.297 -10.307 -9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.977 -10.293 -8.772 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.266 -8.549 -10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.233 -7.621 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.184 -7.708 -10.541 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.326 -8.772 -11.637 1.00 0.00 H new ATOM 0 HE ARG A 91 3.852 -6.248 -11.153 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.389 -7.900 -12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.317 -6.806 -14.287 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.764 -4.847 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.845 -5.094 -14.300 1.00 0.00 H new ATOM 1539 N ILE A 92 5.240 -11.438 -6.856 1.00 0.00 N ATOM 1540 CA ILE A 92 5.557 -12.722 -6.162 1.00 0.00 C ATOM 1541 C ILE A 92 5.304 -13.893 -7.116 1.00 0.00 C ATOM 1542 O ILE A 92 6.115 -14.790 -7.241 1.00 0.00 O ATOM 1543 CB ILE A 92 4.660 -12.865 -4.930 1.00 0.00 C ATOM 1544 CG1 ILE A 92 5.033 -11.794 -3.902 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.853 -14.252 -4.314 1.00 0.00 C ATOM 1546 CD1 ILE A 92 3.932 -11.691 -2.846 1.00 0.00 C ATOM 0 H ILE A 92 4.247 -11.214 -6.917 1.00 0.00 H new ATOM 0 HA ILE A 92 6.603 -12.724 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 92 3.618 -12.741 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.982 -12.045 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.168 -10.832 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.214 -14.353 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.588 -15.015 -5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.895 -14.378 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.199 -10.928 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.992 -11.420 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.819 -12.651 -2.343 1.00 0.00 H new ATOM 1558 N PHE A 93 4.186 -13.891 -7.791 1.00 0.00 N ATOM 1559 CA PHE A 93 3.882 -15.003 -8.736 1.00 0.00 C ATOM 1560 C PHE A 93 4.492 -14.688 -10.103 1.00 0.00 C ATOM 1561 O PHE A 93 3.796 -14.341 -11.037 1.00 0.00 O ATOM 1562 CB PHE A 93 2.366 -15.152 -8.881 1.00 0.00 C ATOM 1563 CG PHE A 93 1.746 -15.424 -7.530 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.658 -14.397 -6.582 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.254 -16.700 -7.228 1.00 0.00 C ATOM 1566 CE1 PHE A 93 1.078 -14.646 -5.333 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.675 -16.949 -5.977 1.00 0.00 C ATOM 1568 CZ PHE A 93 0.587 -15.921 -5.030 1.00 0.00 C ATOM 0 H PHE A 93 3.470 -13.167 -7.729 1.00 0.00 H new ATOM 0 HA PHE A 93 4.304 -15.931 -8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.942 -14.244 -9.310 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.136 -15.967 -9.568 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.038 -13.413 -6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.321 -17.492 -7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.009 -13.854 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.297 -17.933 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.140 -16.112 -4.066 1.00 0.00 H new ATOM 1578 N ARG A 94 5.785 -14.801 -10.229 1.00 0.00 N ATOM 1579 CA ARG A 94 6.432 -14.504 -11.538 1.00 0.00 C ATOM 1580 C ARG A 94 6.222 -15.686 -12.489 1.00 0.00 C ATOM 1581 O ARG A 94 7.022 -16.599 -12.551 1.00 0.00 O ATOM 1582 CB ARG A 94 7.934 -14.263 -11.318 1.00 0.00 C ATOM 1583 CG ARG A 94 8.421 -13.144 -12.244 1.00 0.00 C ATOM 1584 CD ARG A 94 9.952 -13.107 -12.250 1.00 0.00 C ATOM 1585 NE ARG A 94 10.467 -14.057 -13.276 1.00 0.00 N ATOM 1586 CZ ARG A 94 11.688 -13.938 -13.719 1.00 0.00 C ATOM 1587 NH1 ARG A 94 12.459 -12.990 -13.260 1.00 0.00 N ATOM 1588 NH2 ARG A 94 12.138 -14.768 -14.621 1.00 0.00 N ATOM 0 H ARG A 94 6.421 -15.086 -9.484 1.00 0.00 H new ATOM 0 HA ARG A 94 5.987 -13.611 -11.977 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.120 -13.994 -10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.491 -15.179 -11.515 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.048 -13.308 -13.255 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.026 -12.185 -11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.301 -12.097 -12.466 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.337 -13.374 -11.266 1.00 0.00 H new ATOM 0 HE ARG A 94 9.865 -14.800 -13.632 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.107 -12.343 -12.555 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.414 -12.897 -13.606 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.535 -15.509 -14.979 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.093 -14.676 -14.968 1.00 0.00 H new ATOM 1602 N TYR A 95 5.146 -15.678 -13.231 1.00 0.00 N ATOM 1603 CA TYR A 95 4.878 -16.800 -14.177 1.00 0.00 C ATOM 1604 C TYR A 95 5.409 -16.433 -15.566 1.00 0.00 C ATOM 1605 O TYR A 95 5.880 -15.336 -15.791 1.00 0.00 O ATOM 1606 CB TYR A 95 3.371 -17.048 -14.256 1.00 0.00 C ATOM 1607 CG TYR A 95 3.091 -18.134 -15.267 1.00 0.00 C ATOM 1608 CD1 TYR A 95 3.235 -19.480 -14.907 1.00 0.00 C ATOM 1609 CD2 TYR A 95 2.687 -17.796 -16.565 1.00 0.00 C ATOM 1610 CE1 TYR A 95 2.978 -20.486 -15.844 1.00 0.00 C ATOM 1611 CE2 TYR A 95 2.429 -18.803 -17.502 1.00 0.00 C ATOM 1612 CZ TYR A 95 2.574 -20.148 -17.141 1.00 0.00 C ATOM 1613 OH TYR A 95 2.320 -21.141 -18.066 1.00 0.00 O ATOM 0 H TYR A 95 4.440 -14.942 -13.222 1.00 0.00 H new ATOM 0 HA TYR A 95 5.377 -17.702 -13.824 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.988 -17.340 -13.278 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.855 -16.131 -14.540 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.545 -19.741 -13.906 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.575 -16.758 -16.843 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.091 -21.524 -15.567 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.118 -18.543 -18.503 1.00 0.00 H new ATOM 0 HH TYR A 95 2.049 -20.735 -18.916 1.00 0.00 H new TER 1623 TYR A 95