USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 28:sc= 0.98 USER MOD Single : A 5 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.049) USER MOD Single : A 9 THR OG1 : rot -63:sc= 0.907 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -160:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 26 THR OG1 : rot -34:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.21) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -1.03 K(o=-1,f=-3.6!) USER MOD Single : A 43 THR OG1 : rot 130:sc= -0.342 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HE2:sc= -0.396 F(o=-1.6,f=-0.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -4.003 -12.721 -0.722 1.00 0.00 N ATOM 9 CA SER A 2 -2.582 -12.468 -0.924 1.00 0.00 C ATOM 10 C SER A 2 -2.222 -11.021 -0.647 1.00 0.00 C ATOM 11 O SER A 2 -1.237 -10.691 0.011 1.00 0.00 O ATOM 12 CB SER A 2 -2.255 -12.807 -2.386 1.00 0.00 C ATOM 13 OG SER A 2 -3.357 -12.895 -3.285 1.00 0.00 O ATOM 0 HA SER A 2 -2.006 -13.082 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.567 -12.051 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.725 -13.759 -2.404 1.00 0.00 H new ATOM 0 HG SER A 2 -4.083 -12.317 -2.970 1.00 0.00 H new ATOM 19 N GLU A 3 -3.046 -10.177 -1.232 1.00 0.00 N ATOM 20 CA GLU A 3 -3.039 -8.742 -1.083 1.00 0.00 C ATOM 21 C GLU A 3 -3.331 -8.420 0.380 1.00 0.00 C ATOM 22 O GLU A 3 -2.506 -7.772 1.008 1.00 0.00 O ATOM 23 CB GLU A 3 -4.011 -8.063 -2.068 1.00 0.00 C ATOM 24 CG GLU A 3 -3.951 -8.550 -3.529 1.00 0.00 C ATOM 25 CD GLU A 3 -4.542 -9.929 -3.868 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.060 -10.682 -3.003 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.342 -10.348 -5.025 1.00 0.00 O ATOM 0 H GLU A 3 -3.782 -10.497 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.060 -8.336 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.027 -8.207 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.817 -6.991 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.461 -7.810 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.905 -8.554 -3.834 1.00 0.00 H new ATOM 34 N GLU A 4 -4.424 -8.945 0.948 1.00 0.00 N ATOM 35 CA GLU A 4 -4.863 -8.651 2.318 1.00 0.00 C ATOM 36 C GLU A 4 -3.759 -8.915 3.343 1.00 0.00 C ATOM 37 O GLU A 4 -3.578 -8.142 4.285 1.00 0.00 O ATOM 38 CB GLU A 4 -6.085 -9.499 2.701 1.00 0.00 C ATOM 39 CG GLU A 4 -7.250 -9.360 1.725 1.00 0.00 C ATOM 40 CD GLU A 4 -8.388 -10.291 2.129 1.00 0.00 C ATOM 41 OE1 GLU A 4 -9.084 -10.020 3.129 1.00 0.00 O ATOM 42 OE2 GLU A 4 -8.576 -11.347 1.479 1.00 0.00 O ATOM 0 H GLU A 4 -5.038 -9.597 0.460 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.121 -7.592 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.789 -10.547 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.420 -9.211 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.602 -8.328 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.918 -9.597 0.714 1.00 0.00 H new ATOM 49 N HIS A 5 -3.008 -9.999 3.141 1.00 0.00 N ATOM 50 CA HIS A 5 -1.862 -10.365 3.953 1.00 0.00 C ATOM 51 C HIS A 5 -0.812 -9.256 3.893 1.00 0.00 C ATOM 52 O HIS A 5 -0.180 -8.964 4.904 1.00 0.00 O ATOM 53 CB HIS A 5 -1.320 -11.710 3.447 1.00 0.00 C ATOM 54 CG HIS A 5 -0.050 -12.241 4.090 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.726 -13.255 3.573 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.541 -11.846 5.265 1.00 0.00 C ATOM 57 CE1 HIS A 5 1.743 -13.476 4.422 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.700 -12.614 5.448 1.00 0.00 N ATOM 0 H HIS A 5 -3.191 -10.660 2.386 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.144 -10.480 5.000 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.102 -12.458 3.578 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.142 -11.619 2.375 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.177 -11.078 5.932 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.493 -14.243 4.296 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.375 -12.533 6.209 1.00 0.00 H new ATOM 66 N PHE A 6 -0.612 -8.608 2.744 1.00 0.00 N ATOM 67 CA PHE A 6 0.281 -7.464 2.655 1.00 0.00 C ATOM 68 C PHE A 6 -0.145 -6.301 3.571 1.00 0.00 C ATOM 69 O PHE A 6 0.711 -5.755 4.267 1.00 0.00 O ATOM 70 CB PHE A 6 0.485 -6.999 1.204 1.00 0.00 C ATOM 71 CG PHE A 6 1.784 -6.240 0.935 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.738 -6.009 1.943 1.00 0.00 C ATOM 73 CD2 PHE A 6 2.071 -5.783 -0.361 1.00 0.00 C ATOM 74 CE1 PHE A 6 3.955 -5.377 1.669 1.00 0.00 C ATOM 75 CE2 PHE A 6 3.305 -5.168 -0.650 1.00 0.00 C ATOM 76 CZ PHE A 6 4.249 -4.952 0.372 1.00 0.00 C ATOM 0 H PHE A 6 -1.060 -8.861 1.863 1.00 0.00 H new ATOM 0 HA PHE A 6 1.248 -7.809 3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.453 -7.872 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.353 -6.361 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.525 -6.327 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.338 -5.904 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.670 -5.217 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.528 -4.861 -1.661 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.188 -4.464 0.156 1.00 0.00 H new ATOM 86 N VAL A 7 -1.432 -5.929 3.628 1.00 0.00 N ATOM 87 CA VAL A 7 -1.900 -4.957 4.641 1.00 0.00 C ATOM 88 C VAL A 7 -1.411 -5.442 6.003 1.00 0.00 C ATOM 89 O VAL A 7 -0.706 -4.738 6.728 1.00 0.00 O ATOM 90 CB VAL A 7 -3.442 -4.811 4.661 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.992 -3.913 5.781 1.00 0.00 C ATOM 92 CG2 VAL A 7 -4.006 -4.276 3.352 1.00 0.00 C ATOM 0 H VAL A 7 -2.158 -6.275 3.001 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.499 -3.974 4.394 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.768 -5.836 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.079 -3.872 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.704 -4.321 6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.584 -2.908 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.090 -4.196 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.583 -3.292 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.749 -4.956 2.540 1.00 0.00 H new ATOM 102 N GLU A 8 -1.775 -6.672 6.329 1.00 0.00 N ATOM 103 CA GLU A 8 -1.610 -7.218 7.651 1.00 0.00 C ATOM 104 C GLU A 8 -0.149 -7.379 8.054 1.00 0.00 C ATOM 105 O GLU A 8 0.126 -7.338 9.242 1.00 0.00 O ATOM 106 CB GLU A 8 -2.341 -8.555 7.655 1.00 0.00 C ATOM 107 CG GLU A 8 -2.466 -9.118 9.061 1.00 0.00 C ATOM 108 CD GLU A 8 -3.569 -10.162 9.159 1.00 0.00 C ATOM 109 OE1 GLU A 8 -3.667 -11.071 8.299 1.00 0.00 O ATOM 110 OE2 GLU A 8 -4.369 -10.060 10.116 1.00 0.00 O ATOM 0 H GLU A 8 -2.199 -7.322 5.667 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.024 -6.532 8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.334 -8.429 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.806 -9.265 7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.517 -9.564 9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.671 -8.307 9.760 1.00 0.00 H new ATOM 117 N THR A 9 0.790 -7.533 7.114 1.00 0.00 N ATOM 118 CA THR A 9 2.203 -7.615 7.440 1.00 0.00 C ATOM 119 C THR A 9 2.751 -6.226 7.757 1.00 0.00 C ATOM 120 O THR A 9 3.450 -6.053 8.760 1.00 0.00 O ATOM 121 CB THR A 9 3.027 -8.259 6.307 1.00 0.00 C ATOM 122 OG1 THR A 9 2.395 -8.302 5.046 1.00 0.00 O ATOM 123 CG2 THR A 9 3.422 -9.698 6.644 1.00 0.00 C ATOM 0 H THR A 9 0.587 -7.603 6.117 1.00 0.00 H new ATOM 0 HA THR A 9 2.296 -8.255 8.317 1.00 0.00 H new ATOM 0 HB THR A 9 3.891 -7.599 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.593 -8.863 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.001 -10.118 5.822 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.023 -9.707 7.553 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.523 -10.296 6.797 1.00 0.00 H new ATOM 131 N VAL A 10 2.480 -5.246 6.887 1.00 0.00 N ATOM 132 CA VAL A 10 3.064 -3.923 7.041 1.00 0.00 C ATOM 133 C VAL A 10 2.545 -3.287 8.335 1.00 0.00 C ATOM 134 O VAL A 10 3.348 -2.675 9.035 1.00 0.00 O ATOM 135 CB VAL A 10 2.792 -3.059 5.802 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.391 -1.670 5.942 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.395 -3.593 4.502 1.00 0.00 C ATOM 0 H VAL A 10 1.866 -5.349 6.079 1.00 0.00 H new ATOM 0 HA VAL A 10 4.148 -4.004 7.122 1.00 0.00 H new ATOM 0 HB VAL A 10 1.703 -3.062 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.177 -1.089 5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.956 -1.172 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.470 -1.751 6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.150 -2.917 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.478 -3.662 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.987 -4.581 4.291 1.00 0.00 H new ATOM 147 N SER A 11 1.263 -3.463 8.686 1.00 0.00 N ATOM 148 CA SER A 11 0.681 -2.982 9.936 1.00 0.00 C ATOM 149 C SER A 11 1.540 -3.349 11.160 1.00 0.00 C ATOM 150 O SER A 11 1.727 -2.514 12.046 1.00 0.00 O ATOM 151 CB SER A 11 -0.793 -3.451 10.028 1.00 0.00 C ATOM 152 OG SER A 11 -1.045 -4.519 10.920 1.00 0.00 O ATOM 0 H SER A 11 0.593 -3.954 8.094 1.00 0.00 H new ATOM 0 HA SER A 11 0.675 -1.892 9.938 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.407 -2.601 10.326 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.123 -3.749 9.033 1.00 0.00 H new ATOM 0 HG SER A 11 -2.000 -4.738 10.907 1.00 0.00 H new ATOM 158 N LEU A 12 2.105 -4.564 11.206 1.00 0.00 N ATOM 159 CA LEU A 12 2.892 -5.036 12.349 1.00 0.00 C ATOM 160 C LEU A 12 4.260 -4.373 12.374 1.00 0.00 C ATOM 161 O LEU A 12 4.779 -4.072 13.447 1.00 0.00 O ATOM 162 CB LEU A 12 3.150 -6.555 12.324 1.00 0.00 C ATOM 163 CG LEU A 12 1.980 -7.409 11.846 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.372 -8.883 11.826 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.720 -7.224 12.694 1.00 0.00 C ATOM 0 H LEU A 12 2.028 -5.245 10.451 1.00 0.00 H new ATOM 0 HA LEU A 12 2.296 -4.780 13.225 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.007 -6.750 11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.426 -6.876 13.328 1.00 0.00 H new ATOM 0 HG LEU A 12 1.743 -7.072 10.837 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.527 -9.480 11.483 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.215 -9.026 11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.654 -9.198 12.831 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.077 -7.857 12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.932 -7.502 13.726 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.406 -6.181 12.656 1.00 0.00 H new ATOM 177 N ALA A 13 4.878 -4.227 11.202 1.00 0.00 N ATOM 178 CA ALA A 13 6.188 -3.613 11.063 1.00 0.00 C ATOM 179 C ALA A 13 6.104 -2.091 11.206 1.00 0.00 C ATOM 180 O ALA A 13 7.114 -1.440 11.486 1.00 0.00 O ATOM 181 CB ALA A 13 6.752 -3.989 9.692 1.00 0.00 C ATOM 0 H ALA A 13 4.475 -4.536 10.317 1.00 0.00 H new ATOM 0 HA ALA A 13 6.844 -3.977 11.853 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.736 -3.538 9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.838 -5.073 9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.084 -3.625 8.911 1.00 0.00 H new ATOM 187 N GLY A 14 4.922 -1.511 10.989 1.00 0.00 N ATOM 188 CA GLY A 14 4.691 -0.079 10.919 1.00 0.00 C ATOM 189 C GLY A 14 5.391 0.563 9.721 1.00 0.00 C ATOM 190 O GLY A 14 5.423 1.790 9.618 1.00 0.00 O ATOM 0 H GLY A 14 4.069 -2.054 10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.620 0.111 10.856 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.045 0.389 11.838 1.00 0.00 H new ATOM 194 N SER A 15 5.984 -0.224 8.817 1.00 0.00 N ATOM 195 CA SER A 15 6.875 0.275 7.787 1.00 0.00 C ATOM 196 C SER A 15 7.174 -0.843 6.778 1.00 0.00 C ATOM 197 O SER A 15 6.848 -2.016 7.003 1.00 0.00 O ATOM 198 CB SER A 15 8.114 0.882 8.494 1.00 0.00 C ATOM 199 OG SER A 15 9.353 0.262 8.193 1.00 0.00 O ATOM 0 H SER A 15 5.852 -1.235 8.787 1.00 0.00 H new ATOM 0 HA SER A 15 6.430 1.072 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.182 1.937 8.229 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.956 0.834 9.571 1.00 0.00 H new ATOM 0 HG SER A 15 10.072 0.713 8.682 1.00 0.00 H new ATOM 205 N TYR A 16 7.796 -0.483 5.654 1.00 0.00 N ATOM 206 CA TYR A 16 8.303 -1.437 4.670 1.00 0.00 C ATOM 207 C TYR A 16 9.516 -0.855 3.967 1.00 0.00 C ATOM 208 O TYR A 16 9.390 0.172 3.300 1.00 0.00 O ATOM 209 CB TYR A 16 7.232 -1.750 3.635 1.00 0.00 C ATOM 210 CG TYR A 16 7.602 -2.863 2.668 1.00 0.00 C ATOM 211 CD1 TYR A 16 8.291 -2.601 1.467 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.173 -4.169 2.946 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.521 -3.640 0.546 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.420 -5.213 2.044 1.00 0.00 C ATOM 215 CZ TYR A 16 8.107 -4.958 0.836 1.00 0.00 C ATOM 216 OH TYR A 16 8.372 -5.939 -0.071 1.00 0.00 O ATOM 0 H TYR A 16 7.963 0.491 5.400 1.00 0.00 H new ATOM 0 HA TYR A 16 8.581 -2.354 5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.313 -2.025 4.152 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.019 -0.846 3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.643 -1.602 1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.646 -4.373 3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.018 -3.427 -0.389 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.085 -6.214 2.273 1.00 0.00 H new ATOM 0 HH TYR A 16 8.030 -6.794 0.263 1.00 0.00 H new ATOM 226 N ARG A 17 10.663 -1.533 4.040 1.00 0.00 N ATOM 227 CA ARG A 17 11.975 -1.119 3.537 1.00 0.00 C ATOM 228 C ARG A 17 12.422 0.203 4.144 1.00 0.00 C ATOM 229 O ARG A 17 13.280 0.239 5.017 1.00 0.00 O ATOM 230 CB ARG A 17 11.998 -1.060 2.002 1.00 0.00 C ATOM 231 CG ARG A 17 11.778 -2.438 1.376 1.00 0.00 C ATOM 232 CD ARG A 17 13.040 -2.890 0.653 1.00 0.00 C ATOM 233 NE ARG A 17 14.108 -3.280 1.583 1.00 0.00 N ATOM 234 CZ ARG A 17 14.207 -4.422 2.267 1.00 0.00 C ATOM 235 NH1 ARG A 17 13.285 -5.369 2.127 1.00 0.00 N ATOM 236 NH2 ARG A 17 15.224 -4.593 3.094 1.00 0.00 N ATOM 0 H ARG A 17 10.703 -2.451 4.483 1.00 0.00 H new ATOM 0 HA ARG A 17 12.690 -1.880 3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.225 -0.375 1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.955 -0.658 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.514 -3.160 2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.943 -2.400 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.802 -3.732 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.397 -2.084 0.012 1.00 0.00 H new ATOM 0 HE ARG A 17 14.858 -2.602 1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.498 -5.225 1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.365 -6.240 2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.922 -3.857 3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.311 -5.461 3.623 1.00 0.00 H new ATOM 250 N ASP A 18 11.864 1.283 3.621 1.00 0.00 N ATOM 251 CA ASP A 18 12.188 2.677 3.882 1.00 0.00 C ATOM 252 C ASP A 18 10.911 3.494 4.109 1.00 0.00 C ATOM 253 O ASP A 18 10.947 4.607 4.626 1.00 0.00 O ATOM 254 CB ASP A 18 12.961 3.220 2.672 1.00 0.00 C ATOM 255 CG ASP A 18 14.273 3.856 3.092 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.260 5.045 3.472 1.00 0.00 O ATOM 257 OD2 ASP A 18 15.319 3.182 2.954 1.00 0.00 O ATOM 0 H ASP A 18 11.106 1.199 2.943 1.00 0.00 H new ATOM 0 HA ASP A 18 12.796 2.756 4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.156 2.410 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.350 3.955 2.148 1.00 0.00 H new ATOM 262 N TRP A 19 9.766 2.938 3.713 1.00 0.00 N ATOM 263 CA TRP A 19 8.449 3.530 3.797 1.00 0.00 C ATOM 264 C TRP A 19 7.880 3.331 5.192 1.00 0.00 C ATOM 265 O TRP A 19 8.318 2.453 5.939 1.00 0.00 O ATOM 266 CB TRP A 19 7.515 2.854 2.782 1.00 0.00 C ATOM 267 CG TRP A 19 7.922 2.855 1.344 1.00 0.00 C ATOM 268 CD1 TRP A 19 9.017 2.267 0.817 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.221 3.466 0.227 1.00 0.00 C ATOM 270 NE1 TRP A 19 9.068 2.505 -0.538 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.992 3.262 -0.949 1.00 0.00 C ATOM 272 CE3 TRP A 19 6.017 4.187 0.094 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.567 3.728 -2.195 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.573 4.646 -1.153 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.338 4.396 -2.305 1.00 0.00 C ATOM 0 H TRP A 19 9.742 2.005 3.301 1.00 0.00 H new ATOM 0 HA TRP A 19 8.527 4.595 3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.381 1.817 3.090 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.540 3.336 2.853 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.744 1.696 1.375 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.805 2.166 -1.156 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.423 4.390 0.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 8.181 3.575 -3.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.644 5.191 -1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.981 4.717 -3.272 1.00 0.00 H new ATOM 286 N SER A 20 6.823 4.076 5.472 1.00 0.00 N ATOM 287 CA SER A 20 6.159 4.266 6.737 1.00 0.00 C ATOM 288 C SER A 20 4.691 3.901 6.562 1.00 0.00 C ATOM 289 O SER A 20 4.052 4.389 5.631 1.00 0.00 O ATOM 290 CB SER A 20 6.278 5.759 7.041 1.00 0.00 C ATOM 291 OG SER A 20 7.603 6.084 7.415 1.00 0.00 O ATOM 0 H SER A 20 6.367 4.616 4.737 1.00 0.00 H new ATOM 0 HA SER A 20 6.586 3.658 7.534 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.989 6.339 6.165 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.591 6.029 7.843 1.00 0.00 H new ATOM 0 HG SER A 20 7.663 7.044 7.605 1.00 0.00 H new ATOM 297 N TYR A 21 4.151 3.035 7.416 1.00 0.00 N ATOM 298 CA TYR A 21 2.715 2.770 7.469 1.00 0.00 C ATOM 299 C TYR A 21 1.969 4.014 7.971 1.00 0.00 C ATOM 300 O TYR A 21 2.472 4.723 8.854 1.00 0.00 O ATOM 301 CB TYR A 21 2.448 1.578 8.399 1.00 0.00 C ATOM 302 CG TYR A 21 0.998 1.153 8.457 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.317 0.818 7.273 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.325 1.093 9.693 1.00 0.00 C ATOM 305 CE1 TYR A 21 -1.051 0.514 7.317 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.036 0.745 9.740 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.738 0.483 8.547 1.00 0.00 C ATOM 308 OH TYR A 21 -3.062 0.174 8.589 1.00 0.00 O ATOM 0 H TYR A 21 4.696 2.497 8.090 1.00 0.00 H new ATOM 0 HA TYR A 21 2.355 2.530 6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.051 0.732 8.069 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.781 1.834 9.405 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.847 0.795 6.332 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.856 1.315 10.607 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.582 0.302 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.544 0.678 10.691 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.374 0.198 9.518 1.00 0.00 H new ATOM 318 N SER A 22 0.788 4.273 7.411 1.00 0.00 N ATOM 319 CA SER A 22 -0.195 5.266 7.821 1.00 0.00 C ATOM 320 C SER A 22 -1.420 4.511 8.349 1.00 0.00 C ATOM 321 O SER A 22 -1.317 3.965 9.444 1.00 0.00 O ATOM 322 CB SER A 22 -0.445 6.281 6.705 1.00 0.00 C ATOM 323 OG SER A 22 0.644 7.184 6.619 1.00 0.00 O ATOM 0 H SER A 22 0.472 3.750 6.594 1.00 0.00 H new ATOM 0 HA SER A 22 0.158 5.893 8.640 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.575 5.764 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.367 6.828 6.900 1.00 0.00 H new ATOM 0 HG SER A 22 0.360 7.996 6.149 1.00 0.00 H new ATOM 329 N GLY A 23 -2.582 4.528 7.674 1.00 0.00 N ATOM 330 CA GLY A 23 -3.744 3.735 8.088 1.00 0.00 C ATOM 331 C GLY A 23 -5.036 4.545 8.216 1.00 0.00 C ATOM 332 O GLY A 23 -5.956 4.131 8.927 1.00 0.00 O ATOM 0 H GLY A 23 -2.738 5.087 6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.900 2.933 7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.526 3.263 9.046 1.00 0.00 H new ATOM 336 N GLN A 24 -5.113 5.707 7.564 1.00 0.00 N ATOM 337 CA GLN A 24 -6.270 6.602 7.587 1.00 0.00 C ATOM 338 C GLN A 24 -7.116 6.378 6.333 1.00 0.00 C ATOM 339 O GLN A 24 -6.578 6.483 5.232 1.00 0.00 O ATOM 340 CB GLN A 24 -5.745 8.045 7.654 1.00 0.00 C ATOM 341 CG GLN A 24 -6.808 9.124 7.419 1.00 0.00 C ATOM 342 CD GLN A 24 -7.925 9.148 8.469 1.00 0.00 C ATOM 343 OE1 GLN A 24 -7.719 9.580 9.599 1.00 0.00 O ATOM 344 NE2 GLN A 24 -9.131 8.694 8.160 1.00 0.00 N ATOM 0 H GLN A 24 -4.349 6.061 6.989 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.903 6.405 8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.292 8.207 8.632 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.955 8.165 6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.321 10.099 7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.253 8.971 6.436 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.315 8.332 7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.875 8.706 8.858 1.00 0.00 H new ATOM 353 N ARG A 25 -8.418 6.082 6.467 1.00 0.00 N ATOM 354 CA ARG A 25 -9.312 6.033 5.301 1.00 0.00 C ATOM 355 C ARG A 25 -9.489 7.427 4.726 1.00 0.00 C ATOM 356 O ARG A 25 -9.821 8.347 5.475 1.00 0.00 O ATOM 357 CB ARG A 25 -10.705 5.444 5.574 1.00 0.00 C ATOM 358 CG ARG A 25 -10.724 4.031 6.151 1.00 0.00 C ATOM 359 CD ARG A 25 -10.752 4.038 7.664 1.00 0.00 C ATOM 360 NE ARG A 25 -10.415 2.728 8.241 1.00 0.00 N ATOM 361 CZ ARG A 25 -10.106 2.558 9.529 1.00 0.00 C ATOM 362 NH1 ARG A 25 -9.906 3.615 10.305 1.00 0.00 N ATOM 363 NH2 ARG A 25 -10.020 1.342 10.044 1.00 0.00 N ATOM 0 H ARG A 25 -8.870 5.876 7.358 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.820 5.359 4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.230 6.105 6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.268 5.443 4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.597 3.497 5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.844 3.487 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.050 4.785 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.744 4.337 8.004 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.417 1.912 7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.988 4.555 9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.670 3.488 11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.190 0.526 9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.783 1.221 11.029 1.00 0.00 H new ATOM 377 N THR A 26 -9.362 7.563 3.418 1.00 0.00 N ATOM 378 CA THR A 26 -9.682 8.773 2.679 1.00 0.00 C ATOM 379 C THR A 26 -10.534 8.383 1.472 1.00 0.00 C ATOM 380 O THR A 26 -10.686 7.195 1.179 1.00 0.00 O ATOM 381 CB THR A 26 -8.396 9.528 2.288 1.00 0.00 C ATOM 382 OG1 THR A 26 -7.628 8.841 1.315 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.495 9.849 3.484 1.00 0.00 C ATOM 0 H THR A 26 -9.022 6.809 2.820 1.00 0.00 H new ATOM 0 HA THR A 26 -10.256 9.464 3.297 1.00 0.00 H new ATOM 0 HB THR A 26 -8.758 10.464 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.706 7.875 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.608 10.380 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.039 10.473 4.192 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.195 8.922 3.973 1.00 0.00 H new ATOM 391 N GLU A 27 -11.034 9.375 0.736 1.00 0.00 N ATOM 392 CA GLU A 27 -11.863 9.171 -0.448 1.00 0.00 C ATOM 393 C GLU A 27 -11.181 8.275 -1.492 1.00 0.00 C ATOM 394 O GLU A 27 -11.843 7.511 -2.204 1.00 0.00 O ATOM 395 CB GLU A 27 -12.188 10.553 -1.040 1.00 0.00 C ATOM 396 CG GLU A 27 -13.523 10.552 -1.790 1.00 0.00 C ATOM 397 CD GLU A 27 -13.963 11.964 -2.158 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.239 12.756 -1.229 1.00 0.00 O ATOM 399 OE2 GLU A 27 -14.052 12.267 -3.368 1.00 0.00 O ATOM 0 H GLU A 27 -10.871 10.359 0.951 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.777 8.652 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.222 11.292 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.390 10.854 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.432 9.952 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.288 10.082 -1.172 1.00 0.00 H new ATOM 406 N LEU A 28 -9.846 8.343 -1.562 1.00 0.00 N ATOM 407 CA LEU A 28 -9.032 7.650 -2.559 1.00 0.00 C ATOM 408 C LEU A 28 -8.487 6.331 -2.022 1.00 0.00 C ATOM 409 O LEU A 28 -7.597 5.717 -2.612 1.00 0.00 O ATOM 410 CB LEU A 28 -7.965 8.612 -3.113 1.00 0.00 C ATOM 411 CG LEU A 28 -8.587 9.909 -3.681 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.520 10.831 -4.257 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.623 9.654 -4.780 1.00 0.00 C ATOM 0 H LEU A 28 -9.291 8.896 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.652 7.356 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.260 8.865 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.397 8.110 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.085 10.376 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.991 11.733 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.812 11.101 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.993 10.319 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.019 10.606 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.152 9.126 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.436 9.048 -4.380 1.00 0.00 H new ATOM 425 N GLY A 29 -9.060 5.873 -0.913 1.00 0.00 N ATOM 426 CA GLY A 29 -8.698 4.650 -0.243 1.00 0.00 C ATOM 427 C GLY A 29 -8.064 4.978 1.088 1.00 0.00 C ATOM 428 O GLY A 29 -7.860 6.144 1.448 1.00 0.00 O ATOM 0 H GLY A 29 -9.818 6.371 -0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.581 4.028 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.004 4.077 -0.858 1.00 0.00 H new ATOM 432 N VAL A 30 -7.745 3.940 1.842 1.00 0.00 N ATOM 433 CA VAL A 30 -6.948 4.103 3.044 1.00 0.00 C ATOM 434 C VAL A 30 -5.473 4.256 2.686 1.00 0.00 C ATOM 435 O VAL A 30 -4.938 3.519 1.857 1.00 0.00 O ATOM 436 CB VAL A 30 -7.320 3.028 4.077 1.00 0.00 C ATOM 437 CG1 VAL A 30 -7.458 1.644 3.466 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.352 2.970 5.263 1.00 0.00 C ATOM 0 H VAL A 30 -8.025 2.979 1.644 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.179 5.037 3.557 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.296 3.339 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.722 0.927 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.239 1.658 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.512 1.352 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.671 2.191 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.348 2.746 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.347 3.932 5.776 1.00 0.00 H new ATOM 448 N GLU A 31 -4.836 5.250 3.311 1.00 0.00 N ATOM 449 CA GLU A 31 -3.416 5.523 3.207 1.00 0.00 C ATOM 450 C GLU A 31 -2.644 4.284 3.646 1.00 0.00 C ATOM 451 O GLU A 31 -2.828 3.782 4.761 1.00 0.00 O ATOM 452 CB GLU A 31 -3.029 6.724 4.086 1.00 0.00 C ATOM 453 CG GLU A 31 -3.477 8.065 3.503 1.00 0.00 C ATOM 454 CD GLU A 31 -2.675 9.233 4.098 1.00 0.00 C ATOM 455 OE1 GLU A 31 -2.639 9.382 5.342 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.149 10.056 3.327 1.00 0.00 O ATOM 0 H GLU A 31 -5.321 5.906 3.924 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.170 5.767 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.470 6.599 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.947 6.736 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.354 8.052 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.539 8.213 3.701 1.00 0.00 H new ATOM 463 N PHE A 32 -1.780 3.805 2.760 1.00 0.00 N ATOM 464 CA PHE A 32 -0.901 2.680 2.982 1.00 0.00 C ATOM 465 C PHE A 32 0.447 3.181 3.434 1.00 0.00 C ATOM 466 O PHE A 32 0.626 3.690 4.538 1.00 0.00 O ATOM 467 CB PHE A 32 -1.049 1.638 1.842 1.00 0.00 C ATOM 468 CG PHE A 32 -0.608 0.200 2.154 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.557 -0.314 3.472 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.276 -0.670 1.096 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.097 -1.617 3.725 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.114 -2.001 1.350 1.00 0.00 C ATOM 473 CZ PHE A 32 0.270 -2.467 2.671 1.00 0.00 C ATOM 0 H PHE A 32 -1.674 4.212 1.831 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.175 2.049 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.096 1.614 1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.476 1.990 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.877 0.306 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.321 -0.313 0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.025 -1.969 4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.295 -2.671 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.662 -3.454 2.867 1.00 0.00 H new ATOM 483 N LEU A 33 1.379 2.966 2.556 1.00 0.00 N ATOM 484 CA LEU A 33 2.795 3.249 2.732 1.00 0.00 C ATOM 485 C LEU A 33 3.071 4.645 2.203 1.00 0.00 C ATOM 486 O LEU A 33 2.891 4.924 1.017 1.00 0.00 O ATOM 487 CB LEU A 33 3.719 2.227 2.069 1.00 0.00 C ATOM 488 CG LEU A 33 3.917 0.933 2.869 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.543 1.147 4.255 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.593 0.192 2.972 1.00 0.00 C ATOM 0 H LEU A 33 1.173 2.566 1.641 1.00 0.00 H new ATOM 0 HA LEU A 33 3.016 3.182 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.316 1.974 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.692 2.689 1.904 1.00 0.00 H new ATOM 0 HG LEU A 33 4.640 0.328 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.650 0.186 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.523 1.610 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.900 1.797 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.734 -0.727 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.861 0.823 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.233 -0.051 1.972 1.00 0.00 H new ATOM 502 N LYS A 34 3.545 5.511 3.081 1.00 0.00 N ATOM 503 CA LYS A 34 4.130 6.804 2.764 1.00 0.00 C ATOM 504 C LYS A 34 5.647 6.654 2.672 1.00 0.00 C ATOM 505 O LYS A 34 6.235 5.930 3.474 1.00 0.00 O ATOM 506 CB LYS A 34 3.745 7.794 3.877 1.00 0.00 C ATOM 507 CG LYS A 34 2.325 8.356 3.682 1.00 0.00 C ATOM 508 CD LYS A 34 2.176 9.847 4.029 1.00 0.00 C ATOM 509 CE LYS A 34 3.046 10.703 3.092 1.00 0.00 C ATOM 510 NZ LYS A 34 3.960 11.634 3.782 1.00 0.00 N ATOM 0 H LYS A 34 3.532 5.323 4.084 1.00 0.00 H new ATOM 0 HA LYS A 34 3.761 7.177 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.808 7.295 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.461 8.616 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.028 8.206 2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.633 7.782 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.131 10.145 3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.469 10.017 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.635 10.040 2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.393 11.276 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.507 12.170 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.408 12.294 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.611 11.096 4.389 1.00 0.00 H new ATOM 524 N ARG A 35 6.298 7.321 1.720 1.00 0.00 N ATOM 525 CA ARG A 35 7.746 7.535 1.700 1.00 0.00 C ATOM 526 C ARG A 35 8.028 8.728 0.811 1.00 0.00 C ATOM 527 O ARG A 35 7.570 8.742 -0.331 1.00 0.00 O ATOM 528 CB ARG A 35 8.479 6.324 1.116 1.00 0.00 C ATOM 529 CG ARG A 35 10.004 6.417 1.289 1.00 0.00 C ATOM 530 CD ARG A 35 10.773 5.587 0.245 1.00 0.00 C ATOM 531 NE ARG A 35 10.626 6.088 -1.133 1.00 0.00 N ATOM 532 CZ ARG A 35 10.966 7.289 -1.612 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.611 8.173 -0.859 1.00 0.00 N ATOM 534 NH2 ARG A 35 10.659 7.583 -2.870 1.00 0.00 N ATOM 0 H ARG A 35 5.822 7.738 0.921 1.00 0.00 H new ATOM 0 HA ARG A 35 8.093 7.695 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.117 5.417 1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.242 6.237 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.311 7.460 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.273 6.076 2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.831 5.578 0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.425 4.555 0.286 1.00 0.00 H new ATOM 0 HE ARG A 35 10.214 5.439 -1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.856 7.941 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.861 9.084 -1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.173 6.899 -3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.909 8.493 -3.257 1.00 0.00 H new ATOM 548 N GLY A 36 8.841 9.672 1.274 1.00 0.00 N ATOM 549 CA GLY A 36 9.249 10.840 0.516 1.00 0.00 C ATOM 550 C GLY A 36 8.036 11.542 -0.080 1.00 0.00 C ATOM 551 O GLY A 36 7.201 12.061 0.661 1.00 0.00 O ATOM 0 H GLY A 36 9.242 9.641 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.793 11.528 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.932 10.543 -0.280 1.00 0.00 H new ATOM 555 N ASP A 37 7.889 11.476 -1.404 1.00 0.00 N ATOM 556 CA ASP A 37 6.806 12.131 -2.140 1.00 0.00 C ATOM 557 C ASP A 37 5.857 11.123 -2.806 1.00 0.00 C ATOM 558 O ASP A 37 5.242 11.387 -3.843 1.00 0.00 O ATOM 559 CB ASP A 37 7.388 13.173 -3.089 1.00 0.00 C ATOM 560 CG ASP A 37 6.344 14.189 -3.559 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.338 14.424 -2.857 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.578 14.841 -4.606 1.00 0.00 O ATOM 0 H ASP A 37 8.529 10.957 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 37 6.166 12.665 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.202 13.699 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.817 12.670 -3.956 1.00 0.00 H new ATOM 567 N LYS A 38 5.781 9.913 -2.237 1.00 0.00 N ATOM 568 CA LYS A 38 4.956 8.799 -2.704 1.00 0.00 C ATOM 569 C LYS A 38 4.002 8.418 -1.573 1.00 0.00 C ATOM 570 O LYS A 38 4.413 8.400 -0.410 1.00 0.00 O ATOM 571 CB LYS A 38 5.873 7.612 -3.076 1.00 0.00 C ATOM 572 CG LYS A 38 6.938 7.918 -4.140 1.00 0.00 C ATOM 573 CD LYS A 38 6.441 8.462 -5.488 1.00 0.00 C ATOM 574 CE LYS A 38 5.652 7.479 -6.350 1.00 0.00 C ATOM 575 NZ LYS A 38 5.226 8.084 -7.632 1.00 0.00 N ATOM 0 H LYS A 38 6.318 9.677 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 38 4.381 9.075 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.374 7.263 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.251 6.791 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.638 8.640 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.500 7.003 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.815 9.334 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.303 8.807 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.264 6.600 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.774 7.138 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.924 7.334 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.433 8.735 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.021 8.608 -8.050 1.00 0.00 H new ATOM 589 N ILE A 39 2.752 8.092 -1.905 1.00 0.00 N ATOM 590 CA ILE A 39 1.736 7.597 -0.970 1.00 0.00 C ATOM 591 C ILE A 39 0.977 6.474 -1.672 1.00 0.00 C ATOM 592 O ILE A 39 0.242 6.731 -2.628 1.00 0.00 O ATOM 593 CB ILE A 39 0.761 8.694 -0.485 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.531 9.902 0.079 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.193 8.073 0.562 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.629 10.989 0.670 1.00 0.00 C ATOM 0 H ILE A 39 2.406 8.167 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 39 2.236 7.239 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 39 0.171 9.069 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.219 9.555 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.137 10.338 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.889 8.833 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.750 7.255 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.387 7.693 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.244 11.807 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.041 11.365 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.042 10.570 1.487 1.00 0.00 H new ATOM 608 N VAL A 40 1.155 5.243 -1.207 1.00 0.00 N ATOM 609 CA VAL A 40 0.360 4.115 -1.661 1.00 0.00 C ATOM 610 C VAL A 40 -0.975 4.194 -0.926 1.00 0.00 C ATOM 611 O VAL A 40 -1.033 4.608 0.232 1.00 0.00 O ATOM 612 CB VAL A 40 1.109 2.785 -1.400 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.366 1.574 -1.989 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.497 2.820 -2.054 1.00 0.00 C ATOM 0 H VAL A 40 1.855 5.002 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 40 0.186 4.149 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 40 1.178 2.681 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.930 0.665 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.623 1.499 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.264 1.699 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.013 1.879 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.389 2.963 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.076 3.643 -1.635 1.00 0.00 H new ATOM 624 N TYR A 41 -2.042 3.757 -1.582 1.00 0.00 N ATOM 625 CA TYR A 41 -3.381 3.592 -1.039 1.00 0.00 C ATOM 626 C TYR A 41 -3.799 2.138 -1.229 1.00 0.00 C ATOM 627 O TYR A 41 -3.222 1.437 -2.059 1.00 0.00 O ATOM 628 CB TYR A 41 -4.347 4.546 -1.757 1.00 0.00 C ATOM 629 CG TYR A 41 -4.097 6.003 -1.419 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.041 6.695 -2.036 1.00 0.00 C ATOM 631 CD2 TYR A 41 -4.880 6.648 -0.445 1.00 0.00 C ATOM 632 CE1 TYR A 41 -2.749 8.016 -1.665 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.602 7.978 -0.076 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.504 8.656 -0.658 1.00 0.00 C ATOM 635 OH TYR A 41 -3.146 9.904 -0.245 1.00 0.00 O ATOM 0 H TYR A 41 -1.991 3.493 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.400 3.833 0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.254 4.407 -2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.371 4.287 -1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.452 6.208 -2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.699 6.121 0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.943 8.546 -2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.225 8.480 0.649 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.764 10.208 0.452 1.00 0.00 H new ATOM 645 N HIS A 42 -4.811 1.690 -0.490 1.00 0.00 N ATOM 646 CA HIS A 42 -5.475 0.412 -0.707 1.00 0.00 C ATOM 647 C HIS A 42 -6.978 0.589 -0.526 1.00 0.00 C ATOM 648 O HIS A 42 -7.420 1.481 0.209 1.00 0.00 O ATOM 649 CB HIS A 42 -4.875 -0.652 0.204 1.00 0.00 C ATOM 650 CG HIS A 42 -5.301 -0.669 1.654 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.383 -1.348 2.167 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.561 -0.217 2.712 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.270 -1.343 3.505 1.00 0.00 C ATOM 654 NE2 HIS A 42 -5.158 -0.686 3.887 1.00 0.00 N ATOM 0 H HIS A 42 -5.199 2.218 0.292 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.314 0.064 -1.727 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.108 -1.627 -0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.791 -0.542 0.176 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -7.135 -1.777 1.628 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.673 0.394 2.651 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.974 -1.803 4.182 1.00 0.00 H new ATOM 662 N THR A 43 -7.758 -0.269 -1.176 1.00 0.00 N ATOM 663 CA THR A 43 -9.206 -0.254 -1.070 1.00 0.00 C ATOM 664 C THR A 43 -9.649 -0.847 0.271 1.00 0.00 C ATOM 665 O THR A 43 -8.906 -1.569 0.946 1.00 0.00 O ATOM 666 CB THR A 43 -9.810 -0.990 -2.275 1.00 0.00 C ATOM 667 OG1 THR A 43 -9.288 -2.281 -2.419 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.497 -0.240 -3.569 1.00 0.00 C ATOM 0 H THR A 43 -7.398 -0.997 -1.793 1.00 0.00 H new ATOM 0 HA THR A 43 -9.574 0.772 -1.091 1.00 0.00 H new ATOM 0 HB THR A 43 -10.883 -1.043 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.023 -2.922 -2.516 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.932 -0.774 -4.414 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.919 0.764 -3.519 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.417 -0.174 -3.699 1.00 0.00 H new ATOM 676 N LEU A 44 -10.867 -0.499 0.686 1.00 0.00 N ATOM 677 CA LEU A 44 -11.447 -0.941 1.952 1.00 0.00 C ATOM 678 C LEU A 44 -12.037 -2.352 1.889 1.00 0.00 C ATOM 679 O LEU A 44 -12.237 -2.965 2.946 1.00 0.00 O ATOM 680 CB LEU A 44 -12.527 0.057 2.401 1.00 0.00 C ATOM 681 CG LEU A 44 -11.983 1.475 2.654 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.119 2.436 2.999 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.966 1.508 3.798 1.00 0.00 C ATOM 0 H LEU A 44 -11.485 0.105 0.145 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.634 -0.976 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.306 0.105 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.996 -0.312 3.313 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.490 1.783 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.712 3.432 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.828 2.473 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.629 2.089 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.610 2.529 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.439 1.158 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.123 0.861 3.555 1.00 0.00 H new ATOM 695 N GLU A 45 -12.302 -2.873 0.693 1.00 0.00 N ATOM 696 CA GLU A 45 -12.884 -4.190 0.457 1.00 0.00 C ATOM 697 C GLU A 45 -11.863 -5.110 -0.209 1.00 0.00 C ATOM 698 O GLU A 45 -10.768 -4.674 -0.557 1.00 0.00 O ATOM 699 CB GLU A 45 -14.143 -4.050 -0.411 1.00 0.00 C ATOM 700 CG GLU A 45 -15.236 -3.267 0.326 1.00 0.00 C ATOM 701 CD GLU A 45 -16.637 -3.783 0.004 1.00 0.00 C ATOM 702 OE1 GLU A 45 -17.232 -3.401 -1.027 1.00 0.00 O ATOM 703 OE2 GLU A 45 -17.206 -4.492 0.867 1.00 0.00 O ATOM 0 H GLU A 45 -12.109 -2.368 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.165 -4.635 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.892 -3.542 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.516 -5.039 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.065 -3.333 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.169 -2.213 0.057 1.00 0.00 H new ATOM 710 N SER A 46 -12.211 -6.390 -0.374 1.00 0.00 N ATOM 711 CA SER A 46 -11.422 -7.315 -1.169 1.00 0.00 C ATOM 712 C SER A 46 -12.079 -7.511 -2.539 1.00 0.00 C ATOM 713 O SER A 46 -13.301 -7.356 -2.655 1.00 0.00 O ATOM 714 CB SER A 46 -11.153 -8.604 -0.386 1.00 0.00 C ATOM 715 OG SER A 46 -12.307 -9.241 0.135 1.00 0.00 O ATOM 0 H SER A 46 -13.045 -6.805 0.041 1.00 0.00 H new ATOM 0 HA SER A 46 -10.434 -6.902 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.633 -9.305 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.479 -8.376 0.439 1.00 0.00 H new ATOM 0 HG SER A 46 -12.043 -10.053 0.616 1.00 0.00 H new ATOM 721 N PRO A 47 -11.313 -7.887 -3.574 1.00 0.00 N ATOM 722 CA PRO A 47 -9.861 -7.967 -3.567 1.00 0.00 C ATOM 723 C PRO A 47 -9.259 -6.572 -3.507 1.00 0.00 C ATOM 724 O PRO A 47 -9.694 -5.655 -4.207 1.00 0.00 O ATOM 725 CB PRO A 47 -9.483 -8.683 -4.844 1.00 0.00 C ATOM 726 CG PRO A 47 -10.618 -8.327 -5.804 1.00 0.00 C ATOM 727 CD PRO A 47 -11.834 -8.121 -4.906 1.00 0.00 C ATOM 0 HA PRO A 47 -9.482 -8.503 -2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.518 -8.346 -5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.408 -9.760 -4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.388 -7.426 -6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.790 -9.124 -6.527 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.431 -7.274 -5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.484 -8.996 -4.922 1.00 0.00 H new ATOM 735 N VAL A 48 -8.299 -6.434 -2.601 1.00 0.00 N ATOM 736 CA VAL A 48 -7.741 -5.143 -2.278 1.00 0.00 C ATOM 737 C VAL A 48 -6.870 -4.730 -3.458 1.00 0.00 C ATOM 738 O VAL A 48 -6.037 -5.517 -3.918 1.00 0.00 O ATOM 739 CB VAL A 48 -6.972 -5.210 -0.956 1.00 0.00 C ATOM 740 CG1 VAL A 48 -6.357 -3.836 -0.661 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.845 -5.598 0.249 1.00 0.00 C ATOM 0 H VAL A 48 -7.894 -7.211 -2.078 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.515 -4.391 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.217 -5.986 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.808 -3.878 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.676 -3.562 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.149 -3.091 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.231 -5.625 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.640 -4.863 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.283 -6.581 0.079 1.00 0.00 H new ATOM 751 N GLU A 49 -7.041 -3.503 -3.935 1.00 0.00 N ATOM 752 CA GLU A 49 -6.271 -2.935 -5.025 1.00 0.00 C ATOM 753 C GLU A 49 -5.379 -1.851 -4.443 1.00 0.00 C ATOM 754 O GLU A 49 -5.854 -0.910 -3.807 1.00 0.00 O ATOM 755 CB GLU A 49 -7.188 -2.489 -6.173 1.00 0.00 C ATOM 756 CG GLU A 49 -7.720 -3.767 -6.841 1.00 0.00 C ATOM 757 CD GLU A 49 -8.525 -3.554 -8.118 1.00 0.00 C ATOM 758 OE1 GLU A 49 -7.934 -3.107 -9.129 1.00 0.00 O ATOM 759 OE2 GLU A 49 -9.687 -4.029 -8.139 1.00 0.00 O ATOM 0 H GLU A 49 -7.740 -2.861 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.619 -3.673 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.009 -1.879 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.640 -1.878 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.874 -4.416 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.345 -4.298 -6.123 1.00 0.00 H new ATOM 766 N PHE A 50 -4.070 -2.055 -4.584 1.00 0.00 N ATOM 767 CA PHE A 50 -3.056 -1.097 -4.184 1.00 0.00 C ATOM 768 C PHE A 50 -2.977 -0.054 -5.282 1.00 0.00 C ATOM 769 O PHE A 50 -2.932 -0.434 -6.452 1.00 0.00 O ATOM 770 CB PHE A 50 -1.703 -1.807 -4.058 1.00 0.00 C ATOM 771 CG PHE A 50 -1.740 -2.986 -3.110 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.032 -2.768 -1.754 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.547 -4.299 -3.585 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.187 -3.869 -0.901 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.656 -5.393 -2.714 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.983 -5.177 -1.367 1.00 0.00 C ATOM 0 H PHE A 50 -3.684 -2.908 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.303 -0.642 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.386 -2.150 -5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.955 -1.093 -3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.136 -1.763 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.314 -4.464 -4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.467 -3.709 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.489 -6.396 -3.078 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.077 -6.014 -0.691 1.00 0.00 H new ATOM 786 N HIS A 51 -2.916 1.230 -4.945 1.00 0.00 N ATOM 787 CA HIS A 51 -2.700 2.280 -5.931 1.00 0.00 C ATOM 788 C HIS A 51 -1.543 3.149 -5.476 1.00 0.00 C ATOM 789 O HIS A 51 -1.280 3.242 -4.278 1.00 0.00 O ATOM 790 CB HIS A 51 -3.936 3.167 -6.128 1.00 0.00 C ATOM 791 CG HIS A 51 -5.296 2.507 -6.032 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.649 1.283 -6.529 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.450 3.093 -5.559 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.026 1.124 -6.374 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.467 2.236 -5.772 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.014 1.569 -3.988 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.485 1.797 -6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.897 3.966 -5.388 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.859 3.637 -7.108 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.013 0.602 -6.943 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.526 4.067 -5.099 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.618 0.274 -6.679 1.00 0.00 H new ATOM 803 N LEU A 52 -0.887 3.832 -6.405 1.00 0.00 N ATOM 804 CA LEU A 52 0.156 4.801 -6.108 1.00 0.00 C ATOM 805 C LEU A 52 0.172 5.862 -7.193 1.00 0.00 C ATOM 806 O LEU A 52 0.370 5.538 -8.363 1.00 0.00 O ATOM 807 CB LEU A 52 1.512 4.087 -6.042 1.00 0.00 C ATOM 808 CG LEU A 52 2.722 5.018 -5.851 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.618 5.872 -4.589 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.006 4.185 -5.794 1.00 0.00 C ATOM 0 H LEU A 52 -1.069 3.725 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.039 5.276 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.490 3.370 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.652 3.516 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 52 2.741 5.698 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.499 6.508 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.725 6.494 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.556 5.224 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.862 4.845 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.950 3.487 -4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.120 3.629 -6.724 1.00 0.00 H new ATOM 822 N ASP A 53 0.016 7.124 -6.800 1.00 0.00 N ATOM 823 CA ASP A 53 0.101 8.326 -7.637 1.00 0.00 C ATOM 824 C ASP A 53 -0.987 8.408 -8.722 1.00 0.00 C ATOM 825 O ASP A 53 -0.952 9.309 -9.564 1.00 0.00 O ATOM 826 CB ASP A 53 1.523 8.499 -8.207 1.00 0.00 C ATOM 827 CG ASP A 53 2.118 9.866 -7.885 1.00 0.00 C ATOM 828 OD1 ASP A 53 1.543 10.912 -8.268 1.00 0.00 O ATOM 829 OD2 ASP A 53 3.192 9.895 -7.239 1.00 0.00 O ATOM 0 H ASP A 53 -0.186 7.353 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.103 9.174 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.170 7.720 -7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.497 8.363 -9.288 1.00 0.00 H new ATOM 834 N GLY A 54 -1.950 7.482 -8.680 1.00 0.00 N ATOM 835 CA GLY A 54 -3.026 7.293 -9.645 1.00 0.00 C ATOM 836 C GLY A 54 -2.958 5.940 -10.354 1.00 0.00 C ATOM 837 O GLY A 54 -3.944 5.539 -10.977 1.00 0.00 O ATOM 0 H GLY A 54 -1.997 6.803 -7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.985 7.382 -9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.985 8.089 -10.388 1.00 0.00 H new ATOM 841 N GLU A 55 -1.854 5.198 -10.239 1.00 0.00 N ATOM 842 CA GLU A 55 -1.673 3.912 -10.897 1.00 0.00 C ATOM 843 C GLU A 55 -2.045 2.818 -9.923 1.00 0.00 C ATOM 844 O GLU A 55 -1.464 2.709 -8.848 1.00 0.00 O ATOM 845 CB GLU A 55 -0.228 3.723 -11.361 1.00 0.00 C ATOM 846 CG GLU A 55 -0.061 4.333 -12.749 1.00 0.00 C ATOM 847 CD GLU A 55 1.376 4.255 -13.274 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.978 3.158 -13.235 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.883 5.253 -13.843 1.00 0.00 O ATOM 0 H GLU A 55 -1.052 5.482 -9.677 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.312 3.872 -11.779 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.457 4.197 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.023 2.663 -11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.724 3.820 -13.446 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.374 5.377 -12.720 1.00 0.00 H new ATOM 856 N VAL A 56 -3.015 2.010 -10.310 1.00 0.00 N ATOM 857 CA VAL A 56 -3.288 0.731 -9.657 1.00 0.00 C ATOM 858 C VAL A 56 -2.061 -0.168 -9.877 1.00 0.00 C ATOM 859 O VAL A 56 -1.623 -0.350 -11.019 1.00 0.00 O ATOM 860 CB VAL A 56 -4.573 0.088 -10.222 1.00 0.00 C ATOM 861 CG1 VAL A 56 -4.876 -1.245 -9.528 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.806 0.998 -10.080 1.00 0.00 C ATOM 0 H VAL A 56 -3.641 2.218 -11.088 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.459 0.872 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.379 -0.073 -11.282 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.786 -1.674 -9.946 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.045 -1.933 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.012 -1.076 -8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.680 0.494 -10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.978 1.216 -9.026 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.635 1.930 -10.619 1.00 0.00 H new ATOM 872 N LEU A 57 -1.498 -0.735 -8.809 1.00 0.00 N ATOM 873 CA LEU A 57 -0.323 -1.593 -8.855 1.00 0.00 C ATOM 874 C LEU A 57 -0.698 -3.027 -8.503 1.00 0.00 C ATOM 875 O LEU A 57 -1.602 -3.264 -7.700 1.00 0.00 O ATOM 876 CB LEU A 57 0.787 -1.112 -7.900 1.00 0.00 C ATOM 877 CG LEU A 57 0.986 0.412 -7.766 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.011 0.674 -6.656 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.433 1.066 -9.079 1.00 0.00 C ATOM 0 H LEU A 57 -1.860 -0.604 -7.864 1.00 0.00 H new ATOM 0 HA LEU A 57 0.062 -1.547 -9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.578 -1.515 -6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.730 -1.549 -8.230 1.00 0.00 H new ATOM 0 HG LEU A 57 0.026 0.863 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.164 1.748 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.642 0.263 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.957 0.197 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.558 2.138 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.381 0.632 -9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.679 0.894 -9.847 1.00 0.00 H new ATOM 891 N SER A 58 0.039 -3.985 -9.064 1.00 0.00 N ATOM 892 CA SER A 58 -0.130 -5.389 -8.705 1.00 0.00 C ATOM 893 C SER A 58 0.557 -5.644 -7.364 1.00 0.00 C ATOM 894 O SER A 58 1.444 -4.888 -6.976 1.00 0.00 O ATOM 895 CB SER A 58 0.413 -6.311 -9.808 1.00 0.00 C ATOM 896 OG SER A 58 0.465 -5.679 -11.076 1.00 0.00 O ATOM 0 H SER A 58 0.757 -3.813 -9.768 1.00 0.00 H new ATOM 0 HA SER A 58 -1.192 -5.615 -8.605 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.413 -6.648 -9.534 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.216 -7.199 -9.875 1.00 0.00 H new ATOM 0 HG SER A 58 0.818 -6.307 -11.740 1.00 0.00 H new ATOM 902 N LEU A 59 0.210 -6.728 -6.667 1.00 0.00 N ATOM 903 CA LEU A 59 0.791 -7.076 -5.370 1.00 0.00 C ATOM 904 C LEU A 59 2.288 -7.314 -5.499 1.00 0.00 C ATOM 905 O LEU A 59 3.084 -6.770 -4.735 1.00 0.00 O ATOM 906 CB LEU A 59 0.081 -8.326 -4.830 1.00 0.00 C ATOM 907 CG LEU A 59 0.823 -9.062 -3.694 1.00 0.00 C ATOM 908 CD1 LEU A 59 1.045 -8.202 -2.450 1.00 0.00 C ATOM 909 CD2 LEU A 59 -0.006 -10.271 -3.294 1.00 0.00 C ATOM 0 H LEU A 59 -0.490 -7.396 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 59 0.651 -6.251 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.906 -8.037 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.071 -9.023 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 59 1.807 -9.334 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.572 -8.785 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.640 -7.327 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.082 -7.880 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.498 -10.809 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.987 -9.942 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.125 -10.931 -4.153 1.00 0.00 H new ATOM 921 N ASP A 60 2.680 -8.152 -6.454 1.00 0.00 N ATOM 922 CA ASP A 60 4.090 -8.503 -6.578 1.00 0.00 C ATOM 923 C ASP A 60 4.872 -7.296 -7.071 1.00 0.00 C ATOM 924 O ASP A 60 6.016 -7.070 -6.672 1.00 0.00 O ATOM 925 CB ASP A 60 4.269 -9.652 -7.564 1.00 0.00 C ATOM 926 CG ASP A 60 5.270 -10.692 -7.050 1.00 0.00 C ATOM 927 OD1 ASP A 60 5.040 -11.289 -5.975 1.00 0.00 O ATOM 928 OD2 ASP A 60 6.289 -10.956 -7.735 1.00 0.00 O ATOM 0 H ASP A 60 2.061 -8.590 -7.136 1.00 0.00 H new ATOM 0 HA ASP A 60 4.460 -8.813 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.306 -10.131 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.612 -9.259 -8.521 1.00 0.00 H new ATOM 933 N LYS A 61 4.235 -6.505 -7.943 1.00 0.00 N ATOM 934 CA LYS A 61 4.835 -5.308 -8.498 1.00 0.00 C ATOM 935 C LYS A 61 5.071 -4.327 -7.381 1.00 0.00 C ATOM 936 O LYS A 61 6.174 -3.807 -7.291 1.00 0.00 O ATOM 937 CB LYS A 61 3.984 -4.697 -9.628 1.00 0.00 C ATOM 938 CG LYS A 61 4.869 -4.636 -10.882 1.00 0.00 C ATOM 939 CD LYS A 61 4.305 -3.841 -12.065 1.00 0.00 C ATOM 940 CE LYS A 61 4.739 -2.372 -12.025 1.00 0.00 C ATOM 941 NZ LYS A 61 4.148 -1.588 -13.132 1.00 0.00 N ATOM 0 H LYS A 61 3.289 -6.686 -8.277 1.00 0.00 H new ATOM 0 HA LYS A 61 5.787 -5.570 -8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.097 -5.303 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.638 -3.701 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.830 -4.203 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.064 -5.655 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.640 -4.293 -12.999 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.217 -3.898 -12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.444 -1.933 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.826 -2.314 -12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.467 -0.600 -13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.450 -1.990 -14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.111 -1.621 -13.066 1.00 0.00 H new ATOM 955 N LEU A 62 4.086 -4.135 -6.503 1.00 0.00 N ATOM 956 CA LEU A 62 4.153 -3.243 -5.358 1.00 0.00 C ATOM 957 C LEU A 62 5.438 -3.494 -4.590 1.00 0.00 C ATOM 958 O LEU A 62 6.242 -2.584 -4.443 1.00 0.00 O ATOM 959 CB LEU A 62 2.924 -3.423 -4.470 1.00 0.00 C ATOM 960 CG LEU A 62 2.893 -2.495 -3.251 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.027 -1.015 -3.620 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.562 -2.684 -2.533 1.00 0.00 C ATOM 0 H LEU A 62 3.190 -4.616 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 62 4.158 -2.209 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.029 -3.251 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.885 -4.457 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 62 3.744 -2.758 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.998 -0.410 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.974 -0.853 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.204 -0.727 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.523 -2.030 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.745 -2.436 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.465 -3.721 -2.213 1.00 0.00 H new ATOM 974 N LYS A 63 5.692 -4.731 -4.154 1.00 0.00 N ATOM 975 CA LYS A 63 6.896 -5.070 -3.425 1.00 0.00 C ATOM 976 C LYS A 63 8.169 -4.655 -4.166 1.00 0.00 C ATOM 977 O LYS A 63 9.088 -4.135 -3.532 1.00 0.00 O ATOM 978 CB LYS A 63 6.874 -6.574 -3.113 1.00 0.00 C ATOM 979 CG LYS A 63 5.728 -6.963 -2.161 1.00 0.00 C ATOM 980 CD LYS A 63 5.585 -8.482 -2.043 1.00 0.00 C ATOM 981 CE LYS A 63 4.900 -8.888 -0.725 1.00 0.00 C ATOM 982 NZ LYS A 63 5.693 -9.867 0.055 1.00 0.00 N ATOM 0 H LYS A 63 5.062 -5.519 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 63 6.913 -4.507 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.775 -7.133 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.826 -6.863 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.913 -6.537 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.793 -6.536 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.006 -8.860 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.570 -8.946 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.732 -7.998 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.921 -9.313 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.186 -10.105 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.832 -10.729 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.618 -9.455 0.291 1.00 0.00 H new ATOM 996 N SER A 64 8.246 -4.854 -5.484 1.00 0.00 N ATOM 997 CA SER A 64 9.351 -4.344 -6.292 1.00 0.00 C ATOM 998 C SER A 64 9.385 -2.808 -6.300 1.00 0.00 C ATOM 999 O SER A 64 10.445 -2.222 -6.108 1.00 0.00 O ATOM 1000 CB SER A 64 9.254 -4.903 -7.717 1.00 0.00 C ATOM 1001 OG SER A 64 9.863 -6.182 -7.801 1.00 0.00 O ATOM 0 H SER A 64 7.547 -5.371 -6.017 1.00 0.00 H new ATOM 0 HA SER A 64 10.287 -4.680 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.208 -4.974 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.738 -4.219 -8.414 1.00 0.00 H new ATOM 0 HG SER A 64 9.788 -6.520 -8.718 1.00 0.00 H new ATOM 1007 N LEU A 65 8.250 -2.133 -6.496 1.00 0.00 N ATOM 1008 CA LEU A 65 8.180 -0.675 -6.559 1.00 0.00 C ATOM 1009 C LEU A 65 8.521 -0.012 -5.223 1.00 0.00 C ATOM 1010 O LEU A 65 8.873 1.167 -5.196 1.00 0.00 O ATOM 1011 CB LEU A 65 6.795 -0.189 -7.018 1.00 0.00 C ATOM 1012 CG LEU A 65 6.270 -0.660 -8.389 1.00 0.00 C ATOM 1013 CD1 LEU A 65 5.146 0.287 -8.796 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.354 -0.701 -9.471 1.00 0.00 C ATOM 0 H LEU A 65 7.346 -2.590 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 65 8.929 -0.379 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.070 -0.492 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.811 0.901 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 65 5.915 -1.686 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.748 -0.016 -9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.352 0.251 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.534 1.303 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.918 -1.041 -10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.772 0.297 -9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.144 -1.388 -9.169 1.00 0.00 H new ATOM 1026 N LEU A 66 8.422 -0.730 -4.111 1.00 0.00 N ATOM 1027 CA LEU A 66 8.734 -0.221 -2.780 1.00 0.00 C ATOM 1028 C LEU A 66 10.172 -0.507 -2.372 1.00 0.00 C ATOM 1029 O LEU A 66 10.636 0.064 -1.381 1.00 0.00 O ATOM 1030 CB LEU A 66 7.853 -0.939 -1.772 1.00 0.00 C ATOM 1031 CG LEU A 66 6.362 -0.639 -1.923 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.644 -1.701 -1.123 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.966 0.724 -1.391 1.00 0.00 C ATOM 0 H LEU A 66 8.116 -1.703 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 66 8.573 0.857 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.008 -2.013 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.169 -0.661 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 66 6.103 -0.639 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.568 -1.542 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.891 -2.685 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.955 -1.643 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.895 0.872 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.206 0.784 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.512 1.498 -1.931 1.00 0.00 H new ATOM 1045 N SER A 67 10.851 -1.423 -3.062 1.00 0.00 N ATOM 1046 CA SER A 67 12.254 -1.688 -2.825 1.00 0.00 C ATOM 1047 C SER A 67 13.054 -0.435 -3.143 1.00 0.00 C ATOM 1048 O SER A 67 13.986 -0.169 -2.351 1.00 0.00 O ATOM 1049 CB SER A 67 12.696 -2.907 -3.629 1.00 0.00 C ATOM 1050 OG SER A 67 12.497 -4.083 -2.857 1.00 0.00 O ATOM 0 H SER A 67 10.438 -1.996 -3.797 1.00 0.00 H new ATOM 0 HA SER A 67 12.433 -1.931 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.128 -2.969 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.747 -2.813 -3.903 1.00 0.00 H new ATOM 0 HG SER A 67 12.779 -4.866 -3.375 1.00 0.00 H new