USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 32 SER OG : rot -53:sc= 1.4 USER MOD Set 1.2: A 80 SER OG : rot -158:sc= 1.26 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc=-0.00866 USER MOD Set 2.2: A 37 HIS : no HD1:sc= -5.64! C(o=-5.7!,f=-6.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.14 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00662 USER MOD Single : A 26 HIS : no HE2:sc= -2.7! C(o=-2.7!,f=-2.2!) USER MOD Single : A 28 THR OG1 : rot -30:sc= 1.09 USER MOD Single : A 30 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.1) USER MOD Single : A 38 TYR OH : rot 30:sc= 0.391 USER MOD Single : A 42 CYS SG : rot -55:sc= 0.0365 USER MOD Single : A 43 SER OG : rot 34:sc= -2.43! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc=-0.00458 (180deg=-0.129) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 77 SER OG : rot -130:sc= -0.155 USER MOD Single : A 79 GLN : amide:sc= 0.608 K(o=0.61,f=-0.043) USER MOD Single : A 87 SER OG : rot 84:sc= 0.525 USER MOD Single : A 96 THR OG1 : rot 175:sc= 0 USER MOD Single : A 98 THR OG1 : rot 34:sc= 0.155 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.238 -24.973 16.033 1.00 0.00 N ATOM 2 CA GLY A 1 7.035 -24.902 15.224 1.00 0.00 C ATOM 3 C GLY A 1 7.267 -25.357 13.797 1.00 0.00 C ATOM 4 O GLY A 1 7.842 -26.420 13.563 1.00 0.00 O ATOM 0 H1 GLY A 1 8.026 -24.651 16.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.579 -25.955 16.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.972 -24.364 15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.259 -25.519 15.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.664 -23.877 15.219 1.00 0.00 H new ATOM 8 N SER A 2 6.819 -24.551 12.840 1.00 0.00 N ATOM 9 CA SER A 2 6.976 -24.880 11.428 1.00 0.00 C ATOM 10 C SER A 2 8.037 -23.995 10.780 1.00 0.00 C ATOM 11 O SER A 2 8.605 -23.114 11.425 1.00 0.00 O ATOM 12 CB SER A 2 5.644 -24.719 10.694 1.00 0.00 C ATOM 13 OG SER A 2 5.397 -23.360 10.376 1.00 0.00 O ATOM 0 H SER A 2 6.344 -23.666 13.017 1.00 0.00 H new ATOM 0 HA SER A 2 7.299 -25.918 11.355 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.655 -25.313 9.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.835 -25.103 11.315 1.00 0.00 H new ATOM 0 HG SER A 2 4.540 -23.284 9.906 1.00 0.00 H new ATOM 19 N SER A 3 8.299 -24.238 9.500 1.00 0.00 N ATOM 20 CA SER A 3 9.294 -23.467 8.764 1.00 0.00 C ATOM 21 C SER A 3 9.261 -23.814 7.279 1.00 0.00 C ATOM 22 O SER A 3 9.280 -24.985 6.903 1.00 0.00 O ATOM 23 CB SER A 3 10.692 -23.728 9.329 1.00 0.00 C ATOM 24 OG SER A 3 11.067 -25.083 9.156 1.00 0.00 O ATOM 0 H SER A 3 7.836 -24.963 8.951 1.00 0.00 H new ATOM 0 HA SER A 3 9.055 -22.410 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.415 -23.081 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.713 -23.474 10.389 1.00 0.00 H new ATOM 0 HG SER A 3 10.553 -25.473 8.418 1.00 0.00 H new ATOM 30 N GLY A 4 9.211 -22.785 6.438 1.00 0.00 N ATOM 31 CA GLY A 4 9.175 -23.001 5.003 1.00 0.00 C ATOM 32 C GLY A 4 10.338 -22.342 4.288 1.00 0.00 C ATOM 33 O GLY A 4 10.524 -21.128 4.380 1.00 0.00 O ATOM 0 H GLY A 4 9.195 -21.806 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.187 -24.072 4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.239 -22.611 4.603 1.00 0.00 H new ATOM 37 N SER A 5 11.124 -23.142 3.575 1.00 0.00 N ATOM 38 CA SER A 5 12.278 -22.630 2.847 1.00 0.00 C ATOM 39 C SER A 5 12.043 -22.696 1.341 1.00 0.00 C ATOM 40 O SER A 5 11.583 -23.710 0.817 1.00 0.00 O ATOM 41 CB SER A 5 13.533 -23.424 3.214 1.00 0.00 C ATOM 42 OG SER A 5 13.428 -24.771 2.784 1.00 0.00 O ATOM 0 H SER A 5 10.982 -24.148 3.486 1.00 0.00 H new ATOM 0 HA SER A 5 12.421 -21.587 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.407 -22.960 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.684 -23.394 4.293 1.00 0.00 H new ATOM 0 HG SER A 5 14.243 -25.257 3.029 1.00 0.00 H new ATOM 48 N SER A 6 12.362 -21.606 0.650 1.00 0.00 N ATOM 49 CA SER A 6 12.183 -21.537 -0.795 1.00 0.00 C ATOM 50 C SER A 6 10.923 -22.284 -1.222 1.00 0.00 C ATOM 51 O SER A 6 10.941 -23.058 -2.178 1.00 0.00 O ATOM 52 CB SER A 6 13.403 -22.120 -1.510 1.00 0.00 C ATOM 53 OG SER A 6 14.584 -21.423 -1.155 1.00 0.00 O ATOM 0 H SER A 6 12.746 -20.759 1.068 1.00 0.00 H new ATOM 0 HA SER A 6 12.075 -20.489 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.509 -23.174 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.256 -22.067 -2.589 1.00 0.00 H new ATOM 0 HG SER A 6 15.349 -21.816 -1.624 1.00 0.00 H new ATOM 59 N GLY A 7 9.829 -22.046 -0.505 1.00 0.00 N ATOM 60 CA GLY A 7 8.575 -22.703 -0.824 1.00 0.00 C ATOM 61 C GLY A 7 7.455 -21.717 -1.094 1.00 0.00 C ATOM 62 O GLY A 7 7.290 -21.223 -2.209 1.00 0.00 O ATOM 0 H GLY A 7 9.789 -21.410 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.714 -23.339 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.290 -23.355 0.002 1.00 0.00 H new ATOM 66 N PRO A 8 6.662 -21.419 -0.055 1.00 0.00 N ATOM 67 CA PRO A 8 5.538 -20.484 -0.160 1.00 0.00 C ATOM 68 C PRO A 8 5.998 -19.043 -0.349 1.00 0.00 C ATOM 69 O PRO A 8 7.184 -18.780 -0.551 1.00 0.00 O ATOM 70 CB PRO A 8 4.816 -20.644 1.181 1.00 0.00 C ATOM 71 CG PRO A 8 5.868 -21.121 2.122 1.00 0.00 C ATOM 72 CD PRO A 8 6.801 -21.970 1.304 1.00 0.00 C ATOM 0 HA PRO A 8 4.910 -20.697 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.385 -19.700 1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.997 -21.359 1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.398 -20.282 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.430 -21.697 2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.828 -21.899 1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.522 -23.023 1.341 1.00 0.00 H new ATOM 80 N LEU A 9 5.053 -18.111 -0.281 1.00 0.00 N ATOM 81 CA LEU A 9 5.362 -16.695 -0.444 1.00 0.00 C ATOM 82 C LEU A 9 4.786 -15.876 0.707 1.00 0.00 C ATOM 83 O LEU A 9 3.603 -15.538 0.730 1.00 0.00 O ATOM 84 CB LEU A 9 4.810 -16.182 -1.775 1.00 0.00 C ATOM 85 CG LEU A 9 5.423 -14.883 -2.300 1.00 0.00 C ATOM 86 CD1 LEU A 9 6.915 -15.053 -2.534 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.726 -14.444 -3.580 1.00 0.00 C ATOM 0 H LEU A 9 4.067 -18.311 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 9 6.446 -16.582 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.952 -16.958 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.735 -16.036 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 9 5.281 -14.107 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.334 -14.118 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.402 -15.320 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.081 -15.843 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.175 -13.518 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.836 -15.219 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.667 -14.280 -3.380 1.00 0.00 H new ATOM 99 N PRO A 10 5.643 -15.547 1.686 1.00 0.00 N ATOM 100 CA PRO A 10 5.242 -14.761 2.857 1.00 0.00 C ATOM 101 C PRO A 10 4.935 -13.310 2.504 1.00 0.00 C ATOM 102 O PRO A 10 5.823 -12.527 2.167 1.00 0.00 O ATOM 103 CB PRO A 10 6.466 -14.841 3.773 1.00 0.00 C ATOM 104 CG PRO A 10 7.612 -15.086 2.853 1.00 0.00 C ATOM 105 CD PRO A 10 7.068 -15.916 1.724 1.00 0.00 C ATOM 0 HA PRO A 10 4.327 -15.142 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.600 -13.917 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.364 -15.646 4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.023 -14.147 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.420 -15.608 3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.567 -15.689 0.782 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.202 -16.982 1.908 1.00 0.00 H new ATOM 113 N PRO A 11 3.648 -12.941 2.582 1.00 0.00 N ATOM 114 CA PRO A 11 3.195 -11.581 2.276 1.00 0.00 C ATOM 115 C PRO A 11 3.651 -10.568 3.321 1.00 0.00 C ATOM 116 O PRO A 11 4.163 -10.924 4.382 1.00 0.00 O ATOM 117 CB PRO A 11 1.669 -11.706 2.282 1.00 0.00 C ATOM 118 CG PRO A 11 1.388 -12.870 3.168 1.00 0.00 C ATOM 119 CD PRO A 11 2.537 -13.822 2.977 1.00 0.00 C ATOM 0 HA PRO A 11 3.603 -11.218 1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.199 -10.798 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.281 -11.871 1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.309 -12.558 4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.442 -13.342 2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.763 -14.368 3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.320 -14.564 2.209 1.00 0.00 H new ATOM 127 N PRO A 12 3.461 -9.276 3.016 1.00 0.00 N ATOM 128 CA PRO A 12 3.846 -8.185 3.917 1.00 0.00 C ATOM 129 C PRO A 12 2.965 -8.123 5.160 1.00 0.00 C ATOM 130 O PRO A 12 1.740 -8.214 5.070 1.00 0.00 O ATOM 131 CB PRO A 12 3.651 -6.932 3.060 1.00 0.00 C ATOM 132 CG PRO A 12 2.629 -7.320 2.048 1.00 0.00 C ATOM 133 CD PRO A 12 2.856 -8.780 1.769 1.00 0.00 C ATOM 0 HA PRO A 12 4.862 -8.306 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.312 -6.089 3.662 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.584 -6.629 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.621 -7.147 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.735 -6.728 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.923 -9.296 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.517 -8.928 0.915 1.00 0.00 H new ATOM 141 N ARG A 13 3.595 -7.966 6.320 1.00 0.00 N ATOM 142 CA ARG A 13 2.868 -7.892 7.581 1.00 0.00 C ATOM 143 C ARG A 13 3.167 -6.583 8.305 1.00 0.00 C ATOM 144 O ARG A 13 2.257 -5.902 8.778 1.00 0.00 O ATOM 145 CB ARG A 13 3.235 -9.077 8.476 1.00 0.00 C ATOM 146 CG ARG A 13 4.720 -9.400 8.481 1.00 0.00 C ATOM 147 CD ARG A 13 5.035 -10.562 9.410 1.00 0.00 C ATOM 148 NE ARG A 13 4.971 -11.847 8.720 1.00 0.00 N ATOM 149 CZ ARG A 13 3.852 -12.548 8.573 1.00 0.00 C ATOM 150 NH1 ARG A 13 2.710 -12.089 9.064 1.00 0.00 N ATOM 151 NH2 ARG A 13 3.875 -13.709 7.932 1.00 0.00 N ATOM 0 H ARG A 13 4.608 -7.888 6.412 1.00 0.00 H new ATOM 0 HA ARG A 13 1.801 -7.929 7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.915 -8.864 9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.682 -9.956 8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.044 -9.644 7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.284 -8.521 8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.030 -10.428 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.331 -10.562 10.242 1.00 0.00 H new ATOM 0 HE ARG A 13 5.833 -12.228 8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.689 -11.196 9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.852 -12.629 8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.752 -14.064 7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.015 -14.247 7.820 1.00 0.00 H new ATOM 165 N ALA A 14 4.448 -6.237 8.387 1.00 0.00 N ATOM 166 CA ALA A 14 4.866 -5.009 9.052 1.00 0.00 C ATOM 167 C ALA A 14 4.579 -3.789 8.183 1.00 0.00 C ATOM 168 O ALA A 14 5.487 -3.032 7.839 1.00 0.00 O ATOM 169 CB ALA A 14 6.346 -5.075 9.400 1.00 0.00 C ATOM 0 H ALA A 14 5.214 -6.790 8.001 1.00 0.00 H new ATOM 0 HA ALA A 14 4.291 -4.910 9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.645 -4.152 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.526 -5.919 10.066 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.929 -5.202 8.488 1.00 0.00 H new ATOM 175 N LEU A 15 3.311 -3.605 7.831 1.00 0.00 N ATOM 176 CA LEU A 15 2.904 -2.477 7.001 1.00 0.00 C ATOM 177 C LEU A 15 2.844 -1.192 7.820 1.00 0.00 C ATOM 178 O LEU A 15 1.879 -0.949 8.546 1.00 0.00 O ATOM 179 CB LEU A 15 1.542 -2.753 6.363 1.00 0.00 C ATOM 180 CG LEU A 15 1.562 -3.528 5.045 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.906 -4.989 5.291 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.222 -3.407 4.334 1.00 0.00 C ATOM 0 H LEU A 15 2.548 -4.222 8.107 1.00 0.00 H new ATOM 0 HA LEU A 15 3.647 -2.350 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.934 -3.307 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.043 -1.799 6.193 1.00 0.00 H new ATOM 0 HG LEU A 15 2.331 -3.097 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.916 -5.525 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.889 -5.058 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.160 -5.432 5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.255 -3.965 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.565 -3.812 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.015 -2.358 4.124 1.00 0.00 H new ATOM 194 N THR A 16 3.881 -0.369 7.698 1.00 0.00 N ATOM 195 CA THR A 16 3.946 0.892 8.426 1.00 0.00 C ATOM 196 C THR A 16 3.955 2.079 7.470 1.00 0.00 C ATOM 197 O THR A 16 4.565 2.024 6.401 1.00 0.00 O ATOM 198 CB THR A 16 5.198 0.960 9.322 1.00 0.00 C ATOM 199 OG1 THR A 16 5.294 -0.226 10.119 1.00 0.00 O ATOM 200 CG2 THR A 16 5.150 2.182 10.226 1.00 0.00 C ATOM 0 H THR A 16 4.688 -0.553 7.102 1.00 0.00 H new ATOM 0 HA THR A 16 3.056 0.941 9.053 1.00 0.00 H new ATOM 0 HB THR A 16 6.075 1.038 8.679 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.093 -0.176 10.684 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.044 2.209 10.849 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.106 3.084 9.616 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.266 2.130 10.862 1.00 0.00 H new ATOM 208 N LEU A 17 3.277 3.153 7.860 1.00 0.00 N ATOM 209 CA LEU A 17 3.207 4.355 7.037 1.00 0.00 C ATOM 210 C LEU A 17 4.455 5.213 7.221 1.00 0.00 C ATOM 211 O LEU A 17 4.753 5.664 8.326 1.00 0.00 O ATOM 212 CB LEU A 17 1.959 5.167 7.390 1.00 0.00 C ATOM 213 CG LEU A 17 1.449 6.118 6.306 1.00 0.00 C ATOM 214 CD1 LEU A 17 0.448 5.412 5.405 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.825 7.356 6.934 1.00 0.00 C ATOM 0 H LEU A 17 2.768 3.216 8.742 1.00 0.00 H new ATOM 0 HA LEU A 17 3.149 4.048 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.158 4.473 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.170 5.750 8.287 1.00 0.00 H new ATOM 0 HG LEU A 17 2.296 6.432 5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.096 6.104 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.927 4.557 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.398 5.068 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.468 8.022 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.011 7.060 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.571 7.874 7.537 1.00 0.00 H new ATOM 227 N ALA A 18 5.179 5.437 6.129 1.00 0.00 N ATOM 228 CA ALA A 18 6.391 6.245 6.168 1.00 0.00 C ATOM 229 C ALA A 18 6.067 7.709 6.446 1.00 0.00 C ATOM 230 O ALA A 18 6.826 8.406 7.118 1.00 0.00 O ATOM 231 CB ALA A 18 7.158 6.110 4.861 1.00 0.00 C ATOM 0 H ALA A 18 4.947 5.070 5.206 1.00 0.00 H new ATOM 0 HA ALA A 18 7.016 5.878 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.061 6.719 4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.431 5.066 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.532 6.448 4.035 1.00 0.00 H new ATOM 237 N ALA A 19 4.935 8.168 5.923 1.00 0.00 N ATOM 238 CA ALA A 19 4.510 9.549 6.115 1.00 0.00 C ATOM 239 C ALA A 19 3.046 9.732 5.728 1.00 0.00 C ATOM 240 O ALA A 19 2.555 9.094 4.797 1.00 0.00 O ATOM 241 CB ALA A 19 5.392 10.490 5.309 1.00 0.00 C ATOM 0 H ALA A 19 4.296 7.604 5.363 1.00 0.00 H new ATOM 0 HA ALA A 19 4.612 9.790 7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.063 11.518 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.427 10.388 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.319 10.240 4.251 1.00 0.00 H new ATOM 247 N VAL A 20 2.353 10.607 6.450 1.00 0.00 N ATOM 248 CA VAL A 20 0.945 10.875 6.181 1.00 0.00 C ATOM 249 C VAL A 20 0.750 12.276 5.613 1.00 0.00 C ATOM 250 O VAL A 20 0.827 13.269 6.338 1.00 0.00 O ATOM 251 CB VAL A 20 0.093 10.726 7.456 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.608 11.646 8.553 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.371 11.011 7.154 1.00 0.00 C ATOM 0 H VAL A 20 2.744 11.142 7.225 1.00 0.00 H new ATOM 0 HA VAL A 20 0.618 10.140 5.445 1.00 0.00 H new ATOM 0 HB VAL A 20 0.175 9.698 7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.006 11.527 9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.642 11.390 8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.558 12.681 8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.959 10.901 8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.473 12.028 6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.731 10.308 6.403 1.00 0.00 H new ATOM 263 N THR A 21 0.496 12.350 4.310 1.00 0.00 N ATOM 264 CA THR A 21 0.290 13.630 3.643 1.00 0.00 C ATOM 265 C THR A 21 -1.071 13.680 2.959 1.00 0.00 C ATOM 266 O THR A 21 -1.501 12.728 2.307 1.00 0.00 O ATOM 267 CB THR A 21 1.388 13.901 2.598 1.00 0.00 C ATOM 268 OG1 THR A 21 2.652 13.434 3.083 1.00 0.00 O ATOM 269 CG2 THR A 21 1.478 15.386 2.282 1.00 0.00 C ATOM 0 H THR A 21 0.428 11.539 3.696 1.00 0.00 H new ATOM 0 HA THR A 21 0.334 14.400 4.414 1.00 0.00 H new ATOM 0 HB THR A 21 1.130 13.366 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.345 13.608 2.412 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.260 15.554 1.542 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.523 15.732 1.886 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.715 15.938 3.192 1.00 0.00 H new ATOM 277 N PRO A 22 -1.767 14.817 3.107 1.00 0.00 N ATOM 278 CA PRO A 22 -3.090 15.019 2.509 1.00 0.00 C ATOM 279 C PRO A 22 -3.027 15.141 0.990 1.00 0.00 C ATOM 280 O PRO A 22 -4.048 15.334 0.330 1.00 0.00 O ATOM 281 CB PRO A 22 -3.564 16.335 3.131 1.00 0.00 C ATOM 282 CG PRO A 22 -2.311 17.056 3.493 1.00 0.00 C ATOM 283 CD PRO A 22 -1.316 15.993 3.870 1.00 0.00 C ATOM 0 HA PRO A 22 -3.756 14.177 2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.164 16.912 2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.186 16.157 4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.947 17.651 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.481 17.743 4.322 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.300 16.281 3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.320 15.801 4.943 1.00 0.00 H new ATOM 291 N ARG A 23 -1.822 15.026 0.441 1.00 0.00 N ATOM 292 CA ARG A 23 -1.626 15.124 -1.000 1.00 0.00 C ATOM 293 C ARG A 23 -1.038 13.831 -1.558 1.00 0.00 C ATOM 294 O ARG A 23 -1.231 13.503 -2.729 1.00 0.00 O ATOM 295 CB ARG A 23 -0.705 16.300 -1.332 1.00 0.00 C ATOM 296 CG ARG A 23 -0.870 17.486 -0.395 1.00 0.00 C ATOM 297 CD ARG A 23 -0.112 18.704 -0.900 1.00 0.00 C ATOM 298 NE ARG A 23 0.277 19.597 0.188 1.00 0.00 N ATOM 299 CZ ARG A 23 1.254 20.491 0.092 1.00 0.00 C ATOM 300 NH1 ARG A 23 1.938 20.611 -1.037 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.549 21.267 1.127 1.00 0.00 N ATOM 0 H ARG A 23 -0.967 14.865 0.973 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.599 15.290 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.330 15.961 -1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.899 16.625 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.928 17.729 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.511 17.219 0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.778 18.379 -1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.733 19.248 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.230 19.530 1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.714 20.016 -1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.688 21.299 -1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.025 21.177 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.300 21.953 1.052 1.00 0.00 H new ATOM 315 N THR A 24 -0.320 13.100 -0.712 1.00 0.00 N ATOM 316 CA THR A 24 0.297 11.844 -1.120 1.00 0.00 C ATOM 317 C THR A 24 0.407 10.878 0.055 1.00 0.00 C ATOM 318 O THR A 24 0.597 11.294 1.198 1.00 0.00 O ATOM 319 CB THR A 24 1.700 12.075 -1.713 1.00 0.00 C ATOM 320 OG1 THR A 24 2.646 12.298 -0.662 1.00 0.00 O ATOM 321 CG2 THR A 24 1.697 13.264 -2.662 1.00 0.00 C ATOM 0 H THR A 24 -0.151 13.356 0.261 1.00 0.00 H new ATOM 0 HA THR A 24 -0.346 11.409 -1.885 1.00 0.00 H new ATOM 0 HB THR A 24 1.985 11.184 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.535 12.442 -1.048 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.698 13.408 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.998 13.077 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.393 14.160 -2.121 1.00 0.00 H new ATOM 329 N VAL A 25 0.288 9.587 -0.235 1.00 0.00 N ATOM 330 CA VAL A 25 0.376 8.561 0.798 1.00 0.00 C ATOM 331 C VAL A 25 1.616 7.695 0.608 1.00 0.00 C ATOM 332 O VAL A 25 1.890 7.218 -0.494 1.00 0.00 O ATOM 333 CB VAL A 25 -0.872 7.658 0.800 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.595 6.365 1.551 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.059 8.392 1.406 1.00 0.00 C ATOM 0 H VAL A 25 0.130 9.226 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 25 0.442 9.080 1.754 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.118 7.405 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.488 5.740 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.225 5.833 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.323 6.594 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.932 7.740 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.826 8.676 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.271 9.287 0.821 1.00 0.00 H new ATOM 345 N HIS A 26 2.362 7.494 1.689 1.00 0.00 N ATOM 346 CA HIS A 26 3.574 6.684 1.642 1.00 0.00 C ATOM 347 C HIS A 26 3.464 5.486 2.581 1.00 0.00 C ATOM 348 O HIS A 26 3.327 5.646 3.794 1.00 0.00 O ATOM 349 CB HIS A 26 4.793 7.528 2.015 1.00 0.00 C ATOM 350 CG HIS A 26 6.099 6.870 1.692 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.299 7.550 1.668 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.390 5.585 1.382 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.271 6.712 1.354 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.746 5.513 1.177 1.00 0.00 N ATOM 0 H HIS A 26 2.149 7.881 2.608 1.00 0.00 H new ATOM 0 HA HIS A 26 3.695 6.316 0.623 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.737 8.483 1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.760 7.747 3.082 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.417 8.544 1.862 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.687 4.768 1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.317 6.964 1.258 1.00 0.00 H new ATOM 363 N LEU A 27 3.522 4.287 2.012 1.00 0.00 N ATOM 364 CA LEU A 27 3.428 3.062 2.798 1.00 0.00 C ATOM 365 C LEU A 27 4.677 2.204 2.621 1.00 0.00 C ATOM 366 O LEU A 27 5.239 2.124 1.528 1.00 0.00 O ATOM 367 CB LEU A 27 2.187 2.266 2.391 1.00 0.00 C ATOM 368 CG LEU A 27 1.556 1.401 3.483 1.00 0.00 C ATOM 369 CD1 LEU A 27 2.553 0.370 3.990 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.055 2.270 4.628 1.00 0.00 C ATOM 0 H LEU A 27 3.634 4.137 1.009 1.00 0.00 H new ATOM 0 HA LEU A 27 3.346 3.339 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.434 2.966 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.452 1.622 1.553 1.00 0.00 H new ATOM 0 HG LEU A 27 0.704 0.872 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.086 -0.236 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.863 -0.272 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.425 0.879 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.609 1.638 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.890 2.826 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.307 2.969 4.254 1.00 0.00 H new ATOM 382 N THR A 28 5.105 1.562 3.703 1.00 0.00 N ATOM 383 CA THR A 28 6.287 0.709 3.668 1.00 0.00 C ATOM 384 C THR A 28 6.025 -0.622 4.363 1.00 0.00 C ATOM 385 O THR A 28 5.410 -0.666 5.429 1.00 0.00 O ATOM 386 CB THR A 28 7.495 1.394 4.334 1.00 0.00 C ATOM 387 OG1 THR A 28 7.232 1.604 5.726 1.00 0.00 O ATOM 388 CG2 THR A 28 7.799 2.725 3.664 1.00 0.00 C ATOM 0 H THR A 28 4.651 1.616 4.615 1.00 0.00 H new ATOM 0 HA THR A 28 6.515 0.529 2.618 1.00 0.00 H new ATOM 0 HB THR A 28 8.362 0.743 4.222 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.269 1.727 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.656 3.190 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.026 2.559 2.611 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.933 3.381 3.749 1.00 0.00 H new ATOM 396 N TRP A 29 6.495 -1.705 3.754 1.00 0.00 N ATOM 397 CA TRP A 29 6.312 -3.038 4.317 1.00 0.00 C ATOM 398 C TRP A 29 7.596 -3.854 4.214 1.00 0.00 C ATOM 399 O TRP A 29 8.592 -3.391 3.659 1.00 0.00 O ATOM 400 CB TRP A 29 5.173 -3.765 3.599 1.00 0.00 C ATOM 401 CG TRP A 29 5.352 -3.826 2.112 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.085 -4.741 1.412 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.788 -2.935 1.143 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.011 -4.472 0.066 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.221 -3.370 -0.124 1.00 0.00 C ATOM 406 CE3 TRP A 29 3.958 -1.813 1.224 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.852 -2.721 -1.300 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.593 -1.170 0.056 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.039 -1.625 -1.192 1.00 0.00 C ATOM 0 H TRP A 29 7.005 -1.686 2.871 1.00 0.00 H new ATOM 0 HA TRP A 29 6.057 -2.928 5.371 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.095 -4.779 3.990 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.232 -3.263 3.824 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.641 -5.556 1.851 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.470 -5.007 -0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.608 -1.455 2.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.195 -3.070 -2.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.953 -0.302 0.106 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.735 -1.101 -2.086 1.00 0.00 H new ATOM 420 N GLN A 30 7.565 -5.069 4.752 1.00 0.00 N ATOM 421 CA GLN A 30 8.728 -5.947 4.720 1.00 0.00 C ATOM 422 C GLN A 30 8.835 -6.660 3.376 1.00 0.00 C ATOM 423 O GLN A 30 7.845 -7.124 2.811 1.00 0.00 O ATOM 424 CB GLN A 30 8.648 -6.975 5.851 1.00 0.00 C ATOM 425 CG GLN A 30 9.258 -6.491 7.157 1.00 0.00 C ATOM 426 CD GLN A 30 9.712 -7.631 8.047 1.00 0.00 C ATOM 427 OE1 GLN A 30 9.400 -8.795 7.792 1.00 0.00 O ATOM 428 NE2 GLN A 30 10.452 -7.303 9.099 1.00 0.00 N ATOM 0 H GLN A 30 6.748 -5.467 5.215 1.00 0.00 H new ATOM 0 HA GLN A 30 9.619 -5.334 4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.603 -7.235 6.022 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.156 -7.887 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.108 -5.845 6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.527 -5.886 7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.687 -6.326 9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.786 -8.028 9.734 1.00 0.00 H new ATOM 437 N PRO A 31 10.066 -6.750 2.851 1.00 0.00 N ATOM 438 CA PRO A 31 10.332 -7.405 1.567 1.00 0.00 C ATOM 439 C PRO A 31 10.146 -8.917 1.637 1.00 0.00 C ATOM 440 O PRO A 31 10.407 -9.537 2.668 1.00 0.00 O ATOM 441 CB PRO A 31 11.798 -7.060 1.289 1.00 0.00 C ATOM 442 CG PRO A 31 12.391 -6.818 2.634 1.00 0.00 C ATOM 443 CD PRO A 31 11.293 -6.220 3.469 1.00 0.00 C ATOM 0 HA PRO A 31 9.645 -7.070 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.306 -7.875 0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.884 -6.178 0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.754 -7.747 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.244 -6.142 2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.377 -6.517 4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.317 -5.131 3.444 1.00 0.00 H new ATOM 451 N SER A 32 9.692 -9.505 0.535 1.00 0.00 N ATOM 452 CA SER A 32 9.467 -10.944 0.473 1.00 0.00 C ATOM 453 C SER A 32 10.773 -11.687 0.208 1.00 0.00 C ATOM 454 O SER A 32 11.844 -11.084 0.159 1.00 0.00 O ATOM 455 CB SER A 32 8.447 -11.276 -0.617 1.00 0.00 C ATOM 456 OG SER A 32 7.124 -11.224 -0.112 1.00 0.00 O ATOM 0 H SER A 32 9.473 -9.007 -0.327 1.00 0.00 H new ATOM 0 HA SER A 32 9.075 -11.267 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.552 -10.573 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.648 -12.270 -1.017 1.00 0.00 H new ATOM 0 HG SER A 32 7.056 -11.789 0.686 1.00 0.00 H new ATOM 462 N ALA A 33 10.674 -13.001 0.036 1.00 0.00 N ATOM 463 CA ALA A 33 11.846 -13.828 -0.227 1.00 0.00 C ATOM 464 C ALA A 33 11.783 -14.441 -1.622 1.00 0.00 C ATOM 465 O ALA A 33 11.362 -15.584 -1.789 1.00 0.00 O ATOM 466 CB ALA A 33 11.969 -14.919 0.826 1.00 0.00 C ATOM 0 H ALA A 33 9.794 -13.516 0.074 1.00 0.00 H new ATOM 0 HA ALA A 33 12.729 -13.190 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.848 -15.529 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.069 -14.464 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.078 -15.547 0.805 1.00 0.00 H new ATOM 472 N GLY A 34 12.205 -13.671 -2.621 1.00 0.00 N ATOM 473 CA GLY A 34 12.188 -14.156 -3.989 1.00 0.00 C ATOM 474 C GLY A 34 11.377 -13.266 -4.909 1.00 0.00 C ATOM 475 O GLY A 34 11.721 -13.093 -6.078 1.00 0.00 O ATOM 0 H GLY A 34 12.558 -12.721 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.211 -14.222 -4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.776 -15.165 -4.009 1.00 0.00 H new ATOM 479 N ALA A 35 10.296 -12.701 -4.382 1.00 0.00 N ATOM 480 CA ALA A 35 9.434 -11.824 -5.164 1.00 0.00 C ATOM 481 C ALA A 35 10.244 -10.734 -5.858 1.00 0.00 C ATOM 482 O ALA A 35 10.954 -9.964 -5.209 1.00 0.00 O ATOM 483 CB ALA A 35 8.365 -11.205 -4.276 1.00 0.00 C ATOM 0 H ALA A 35 9.996 -12.835 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 35 8.949 -12.425 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.729 -10.552 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.759 -11.995 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.840 -10.624 -3.486 1.00 0.00 H new ATOM 489 N THR A 36 10.135 -10.673 -7.181 1.00 0.00 N ATOM 490 CA THR A 36 10.859 -9.678 -7.963 1.00 0.00 C ATOM 491 C THR A 36 10.125 -8.343 -7.969 1.00 0.00 C ATOM 492 O THR A 36 10.715 -7.299 -8.252 1.00 0.00 O ATOM 493 CB THR A 36 11.062 -10.146 -9.417 1.00 0.00 C ATOM 494 OG1 THR A 36 11.217 -9.013 -10.278 1.00 0.00 O ATOM 495 CG2 THR A 36 9.885 -10.988 -9.884 1.00 0.00 C ATOM 0 H THR A 36 9.552 -11.301 -7.734 1.00 0.00 H new ATOM 0 HA THR A 36 11.833 -9.552 -7.490 1.00 0.00 H new ATOM 0 HB THR A 36 11.963 -10.758 -9.457 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.347 -9.318 -11.200 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.051 -11.307 -10.913 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.788 -11.865 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.971 -10.397 -9.830 1.00 0.00 H new ATOM 503 N HIS A 37 8.834 -8.381 -7.654 1.00 0.00 N ATOM 504 CA HIS A 37 8.019 -7.171 -7.621 1.00 0.00 C ATOM 505 C HIS A 37 6.765 -7.384 -6.778 1.00 0.00 C ATOM 506 O HIS A 37 6.463 -8.505 -6.368 1.00 0.00 O ATOM 507 CB HIS A 37 7.629 -6.756 -9.040 1.00 0.00 C ATOM 508 CG HIS A 37 6.981 -7.852 -9.829 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.692 -8.739 -10.610 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.680 -8.204 -9.952 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.856 -9.587 -11.181 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.629 -9.285 -10.798 1.00 0.00 N ATOM 0 H HIS A 37 8.330 -9.236 -7.418 1.00 0.00 H new ATOM 0 HA HIS A 37 8.610 -6.376 -7.167 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.948 -5.907 -8.987 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.520 -6.417 -9.568 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.839 -7.724 -9.474 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.130 -10.391 -11.848 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.781 -9.775 -11.084 1.00 0.00 H new ATOM 521 N TYR A 38 6.040 -6.301 -6.522 1.00 0.00 N ATOM 522 CA TYR A 38 4.821 -6.368 -5.725 1.00 0.00 C ATOM 523 C TYR A 38 3.709 -5.538 -6.359 1.00 0.00 C ATOM 524 O TYR A 38 3.963 -4.493 -6.959 1.00 0.00 O ATOM 525 CB TYR A 38 5.090 -5.877 -4.301 1.00 0.00 C ATOM 526 CG TYR A 38 6.361 -6.434 -3.699 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.607 -6.042 -4.170 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.314 -7.353 -2.657 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.770 -6.549 -3.624 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.472 -7.864 -2.103 1.00 0.00 C ATOM 531 CZ TYR A 38 8.697 -7.459 -2.590 1.00 0.00 C ATOM 532 OH TYR A 38 9.853 -7.966 -2.042 1.00 0.00 O ATOM 0 H TYR A 38 6.275 -5.366 -6.855 1.00 0.00 H new ATOM 0 HA TYR A 38 4.498 -7.408 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.147 -4.788 -4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.247 -6.150 -3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.668 -5.328 -4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.356 -7.673 -2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.731 -6.235 -4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.418 -8.577 -1.293 1.00 0.00 H new ATOM 0 HH TYR A 38 10.569 -7.301 -2.116 1.00 0.00 H new ATOM 542 N LEU A 39 2.475 -6.010 -6.220 1.00 0.00 N ATOM 543 CA LEU A 39 1.322 -5.312 -6.777 1.00 0.00 C ATOM 544 C LEU A 39 0.570 -4.549 -5.692 1.00 0.00 C ATOM 545 O LEU A 39 0.106 -5.136 -4.714 1.00 0.00 O ATOM 546 CB LEU A 39 0.382 -6.306 -7.462 1.00 0.00 C ATOM 547 CG LEU A 39 -0.568 -5.721 -8.508 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.367 -4.570 -7.917 1.00 0.00 C ATOM 549 CD2 LEU A 39 0.206 -5.261 -9.734 1.00 0.00 C ATOM 0 H LEU A 39 2.247 -6.873 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 39 1.684 -4.595 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.987 -7.077 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.214 -6.799 -6.694 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.265 -6.501 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.038 -4.166 -8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.951 -4.930 -7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.685 -3.788 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.486 -4.848 -10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.926 -4.496 -9.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.733 -6.109 -10.171 1.00 0.00 H new ATOM 561 N VAL A 40 0.451 -3.237 -5.872 1.00 0.00 N ATOM 562 CA VAL A 40 -0.248 -2.394 -4.910 1.00 0.00 C ATOM 563 C VAL A 40 -1.596 -1.936 -5.457 1.00 0.00 C ATOM 564 O VAL A 40 -1.665 -1.282 -6.498 1.00 0.00 O ATOM 565 CB VAL A 40 0.589 -1.156 -4.537 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.275 -0.118 -3.838 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.769 -1.555 -3.663 1.00 0.00 C ATOM 0 H VAL A 40 0.830 -2.735 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.408 -2.999 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 40 0.978 -0.712 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.334 0.749 -3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.083 0.189 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.695 -0.547 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.350 -0.668 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.403 -2.023 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.401 -2.260 -4.204 1.00 0.00 H new ATOM 577 N ARG A 41 -2.665 -2.284 -4.749 1.00 0.00 N ATOM 578 CA ARG A 41 -4.011 -1.910 -5.164 1.00 0.00 C ATOM 579 C ARG A 41 -4.561 -0.792 -4.282 1.00 0.00 C ATOM 580 O ARG A 41 -4.672 -0.946 -3.065 1.00 0.00 O ATOM 581 CB ARG A 41 -4.941 -3.123 -5.107 1.00 0.00 C ATOM 582 CG ARG A 41 -4.842 -4.023 -6.328 1.00 0.00 C ATOM 583 CD ARG A 41 -5.594 -5.329 -6.119 1.00 0.00 C ATOM 584 NE ARG A 41 -4.748 -6.359 -5.524 1.00 0.00 N ATOM 585 CZ ARG A 41 -5.201 -7.542 -5.124 1.00 0.00 C ATOM 586 NH1 ARG A 41 -6.485 -7.842 -5.256 1.00 0.00 N ATOM 587 NH2 ARG A 41 -4.368 -8.427 -4.592 1.00 0.00 N ATOM 0 H ARG A 41 -2.625 -2.825 -3.885 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.960 -1.548 -6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.709 -3.707 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.970 -2.777 -5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.246 -3.504 -7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.794 -4.235 -6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.456 -5.152 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.978 -5.683 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.754 -6.159 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.128 -7.164 -5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.831 -8.751 -4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.379 -8.199 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.717 -9.335 -4.285 1.00 0.00 H new ATOM 601 N CYS A 42 -4.903 0.331 -4.903 1.00 0.00 N ATOM 602 CA CYS A 42 -5.440 1.475 -4.175 1.00 0.00 C ATOM 603 C CYS A 42 -6.958 1.540 -4.308 1.00 0.00 C ATOM 604 O CYS A 42 -7.483 2.020 -5.313 1.00 0.00 O ATOM 605 CB CYS A 42 -4.814 2.772 -4.689 1.00 0.00 C ATOM 606 SG CYS A 42 -5.794 4.252 -4.342 1.00 0.00 S ATOM 0 H CYS A 42 -4.818 0.474 -5.909 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.191 1.353 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.827 2.889 -4.241 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.667 2.690 -5.766 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.996 4.097 -4.813 1.00 0.00 H new ATOM 612 N SER A 43 -7.657 1.053 -3.288 1.00 0.00 N ATOM 613 CA SER A 43 -9.115 1.051 -3.293 1.00 0.00 C ATOM 614 C SER A 43 -9.664 1.808 -2.087 1.00 0.00 C ATOM 615 O SER A 43 -9.118 1.750 -0.985 1.00 0.00 O ATOM 616 CB SER A 43 -9.644 -0.384 -3.292 1.00 0.00 C ATOM 617 OG SER A 43 -10.951 -0.447 -3.836 1.00 0.00 O ATOM 0 H SER A 43 -7.237 0.655 -2.448 1.00 0.00 H new ATOM 0 HA SER A 43 -9.451 1.554 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.975 -1.022 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.652 -0.771 -2.273 1.00 0.00 H new ATOM 0 HG SER A 43 -11.041 0.219 -4.549 1.00 0.00 H new ATOM 623 N PRO A 44 -10.770 2.536 -2.299 1.00 0.00 N ATOM 624 CA PRO A 44 -11.418 3.318 -1.243 1.00 0.00 C ATOM 625 C PRO A 44 -12.083 2.435 -0.192 1.00 0.00 C ATOM 626 O PRO A 44 -12.743 1.451 -0.523 1.00 0.00 O ATOM 627 CB PRO A 44 -12.470 4.133 -1.999 1.00 0.00 C ATOM 628 CG PRO A 44 -12.763 3.333 -3.221 1.00 0.00 C ATOM 629 CD PRO A 44 -11.474 2.651 -3.588 1.00 0.00 C ATOM 0 HA PRO A 44 -10.703 3.927 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.367 4.278 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.094 5.124 -2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.550 2.603 -3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.111 3.973 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.650 1.674 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.901 3.235 -4.308 1.00 0.00 H new ATOM 637 N ALA A 45 -11.903 2.794 1.075 1.00 0.00 N ATOM 638 CA ALA A 45 -12.488 2.035 2.174 1.00 0.00 C ATOM 639 C ALA A 45 -13.997 2.244 2.243 1.00 0.00 C ATOM 640 O ALA A 45 -14.735 1.366 2.691 1.00 0.00 O ATOM 641 CB ALA A 45 -11.837 2.428 3.492 1.00 0.00 C ATOM 0 H ALA A 45 -11.357 3.605 1.366 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.303 0.976 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.283 1.854 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.768 2.221 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.993 3.492 3.672 1.00 0.00 H new ATOM 647 N SER A 46 -14.449 3.412 1.798 1.00 0.00 N ATOM 648 CA SER A 46 -15.870 3.738 1.814 1.00 0.00 C ATOM 649 C SER A 46 -16.591 3.084 0.639 1.00 0.00 C ATOM 650 O SER A 46 -16.066 2.993 -0.471 1.00 0.00 O ATOM 651 CB SER A 46 -16.068 5.254 1.769 1.00 0.00 C ATOM 652 OG SER A 46 -15.547 5.871 2.934 1.00 0.00 O ATOM 0 H SER A 46 -13.852 4.148 1.422 1.00 0.00 H new ATOM 0 HA SER A 46 -16.296 3.351 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.576 5.662 0.886 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.130 5.483 1.676 1.00 0.00 H new ATOM 0 HG SER A 46 -15.684 6.840 2.880 1.00 0.00 H new ATOM 658 N PRO A 47 -17.824 2.618 0.887 1.00 0.00 N ATOM 659 CA PRO A 47 -18.645 1.966 -0.137 1.00 0.00 C ATOM 660 C PRO A 47 -19.123 2.942 -1.206 1.00 0.00 C ATOM 661 O PRO A 47 -19.779 2.550 -2.171 1.00 0.00 O ATOM 662 CB PRO A 47 -19.834 1.418 0.657 1.00 0.00 C ATOM 663 CG PRO A 47 -19.925 2.296 1.857 1.00 0.00 C ATOM 664 CD PRO A 47 -18.513 2.694 2.187 1.00 0.00 C ATOM 0 HA PRO A 47 -18.088 1.202 -0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -20.752 1.453 0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.676 0.377 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.540 3.173 1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.387 1.769 2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -18.467 3.698 2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -18.066 2.021 2.918 1.00 0.00 H new ATOM 672 N LYS A 48 -18.789 4.216 -1.029 1.00 0.00 N ATOM 673 CA LYS A 48 -19.183 5.250 -1.979 1.00 0.00 C ATOM 674 C LYS A 48 -18.643 4.942 -3.372 1.00 0.00 C ATOM 675 O LYS A 48 -17.517 5.307 -3.707 1.00 0.00 O ATOM 676 CB LYS A 48 -18.676 6.617 -1.515 1.00 0.00 C ATOM 677 CG LYS A 48 -19.547 7.259 -0.448 1.00 0.00 C ATOM 678 CD LYS A 48 -20.974 7.449 -0.934 1.00 0.00 C ATOM 679 CE LYS A 48 -21.680 8.557 -0.168 1.00 0.00 C ATOM 680 NZ LYS A 48 -21.187 9.906 -0.563 1.00 0.00 N ATOM 0 H LYS A 48 -18.246 4.557 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.272 5.270 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.663 6.507 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.618 7.285 -2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -19.546 6.637 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -19.126 8.224 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.969 7.687 -1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -21.526 6.516 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -22.753 8.496 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -21.527 8.413 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.858 10.630 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.256 10.076 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -21.102 9.955 -1.598 1.00 0.00 H new ATOM 694 N GLY A 49 -19.456 4.269 -4.181 1.00 0.00 N ATOM 695 CA GLY A 49 -19.042 3.925 -5.529 1.00 0.00 C ATOM 696 C GLY A 49 -17.833 3.012 -5.550 1.00 0.00 C ATOM 697 O GLY A 49 -16.718 3.443 -5.257 1.00 0.00 O ATOM 0 H GLY A 49 -20.393 3.956 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.869 3.439 -6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -18.814 4.838 -6.079 1.00 0.00 H new ATOM 701 N GLU A 50 -18.053 1.747 -5.895 1.00 0.00 N ATOM 702 CA GLU A 50 -16.972 0.771 -5.949 1.00 0.00 C ATOM 703 C GLU A 50 -16.522 0.537 -7.388 1.00 0.00 C ATOM 704 O GLU A 50 -16.669 -0.562 -7.923 1.00 0.00 O ATOM 705 CB GLU A 50 -17.416 -0.551 -5.320 1.00 0.00 C ATOM 706 CG GLU A 50 -17.487 -0.510 -3.803 1.00 0.00 C ATOM 707 CD GLU A 50 -16.142 -0.222 -3.164 1.00 0.00 C ATOM 708 OE1 GLU A 50 -15.342 -1.170 -3.014 1.00 0.00 O ATOM 709 OE2 GLU A 50 -15.889 0.949 -2.814 1.00 0.00 O ATOM 0 H GLU A 50 -18.970 1.375 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.129 1.169 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.396 -0.820 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.724 -1.338 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.202 0.254 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.863 -1.464 -3.435 1.00 0.00 H new ATOM 716 N GLU A 51 -15.975 1.577 -8.008 1.00 0.00 N ATOM 717 CA GLU A 51 -15.506 1.485 -9.386 1.00 0.00 C ATOM 718 C GLU A 51 -14.188 0.718 -9.461 1.00 0.00 C ATOM 719 O GLU A 51 -13.650 0.287 -8.442 1.00 0.00 O ATOM 720 CB GLU A 51 -15.330 2.882 -9.983 1.00 0.00 C ATOM 721 CG GLU A 51 -16.631 3.657 -10.113 1.00 0.00 C ATOM 722 CD GLU A 51 -17.405 3.291 -11.364 1.00 0.00 C ATOM 723 OE1 GLU A 51 -16.772 2.855 -12.348 1.00 0.00 O ATOM 724 OE2 GLU A 51 -18.645 3.440 -11.358 1.00 0.00 O ATOM 0 H GLU A 51 -15.845 2.493 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.256 0.944 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.639 3.450 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.871 2.792 -10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.252 3.467 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.414 4.725 -10.124 1.00 0.00 H new ATOM 731 N GLU A 52 -13.676 0.552 -10.677 1.00 0.00 N ATOM 732 CA GLU A 52 -12.423 -0.164 -10.885 1.00 0.00 C ATOM 733 C GLU A 52 -11.338 0.352 -9.944 1.00 0.00 C ATOM 734 O GLU A 52 -11.146 1.559 -9.806 1.00 0.00 O ATOM 735 CB GLU A 52 -11.964 -0.021 -12.338 1.00 0.00 C ATOM 736 CG GLU A 52 -12.752 -0.880 -13.313 1.00 0.00 C ATOM 737 CD GLU A 52 -12.659 -2.359 -12.994 1.00 0.00 C ATOM 738 OE1 GLU A 52 -11.529 -2.890 -12.958 1.00 0.00 O ATOM 739 OE2 GLU A 52 -13.718 -2.987 -12.779 1.00 0.00 O ATOM 0 H GLU A 52 -14.109 0.903 -11.531 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.596 -1.218 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.050 1.024 -12.636 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.909 -0.286 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.798 -0.574 -13.298 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.384 -0.706 -14.324 1.00 0.00 H new ATOM 746 N GLU A 53 -10.633 -0.572 -9.300 1.00 0.00 N ATOM 747 CA GLU A 53 -9.569 -0.211 -8.371 1.00 0.00 C ATOM 748 C GLU A 53 -8.265 0.061 -9.116 1.00 0.00 C ATOM 749 O GLU A 53 -8.040 -0.464 -10.206 1.00 0.00 O ATOM 750 CB GLU A 53 -9.359 -1.324 -7.343 1.00 0.00 C ATOM 751 CG GLU A 53 -10.654 -1.909 -6.805 1.00 0.00 C ATOM 752 CD GLU A 53 -11.678 -0.843 -6.465 1.00 0.00 C ATOM 753 OE1 GLU A 53 -11.269 0.299 -6.170 1.00 0.00 O ATOM 754 OE2 GLU A 53 -12.888 -1.152 -6.493 1.00 0.00 O ATOM 0 H GLU A 53 -10.779 -1.576 -9.404 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.868 0.700 -7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.772 -2.121 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.774 -0.933 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.076 -2.590 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.439 -2.499 -5.914 1.00 0.00 H new ATOM 761 N ARG A 54 -7.411 0.887 -8.520 1.00 0.00 N ATOM 762 CA ARG A 54 -6.131 1.231 -9.127 1.00 0.00 C ATOM 763 C ARG A 54 -5.083 0.162 -8.828 1.00 0.00 C ATOM 764 O ARG A 54 -4.954 -0.292 -7.692 1.00 0.00 O ATOM 765 CB ARG A 54 -5.649 2.590 -8.617 1.00 0.00 C ATOM 766 CG ARG A 54 -4.256 2.962 -9.099 1.00 0.00 C ATOM 767 CD ARG A 54 -4.235 3.220 -10.597 1.00 0.00 C ATOM 768 NE ARG A 54 -2.891 3.522 -11.082 1.00 0.00 N ATOM 769 CZ ARG A 54 -2.586 3.655 -12.368 1.00 0.00 C ATOM 770 NH1 ARG A 54 -3.526 3.516 -13.293 1.00 0.00 N ATOM 771 NH2 ARG A 54 -1.340 3.930 -12.731 1.00 0.00 N ATOM 0 H ARG A 54 -7.583 1.330 -7.617 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.272 1.285 -10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.352 3.359 -8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.658 2.584 -7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.913 3.851 -8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.560 2.159 -8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.621 2.346 -11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.900 4.051 -10.831 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.145 3.637 -10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.486 3.307 -13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.290 3.619 -14.280 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.615 4.040 -12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.107 4.032 -13.719 1.00 0.00 H new ATOM 785 N GLU A 55 -4.339 -0.233 -9.856 1.00 0.00 N ATOM 786 CA GLU A 55 -3.303 -1.249 -9.703 1.00 0.00 C ATOM 787 C GLU A 55 -1.953 -0.726 -10.185 1.00 0.00 C ATOM 788 O GLU A 55 -1.827 -0.245 -11.311 1.00 0.00 O ATOM 789 CB GLU A 55 -3.680 -2.513 -10.477 1.00 0.00 C ATOM 790 CG GLU A 55 -4.898 -3.229 -9.919 1.00 0.00 C ATOM 791 CD GLU A 55 -5.580 -4.110 -10.948 1.00 0.00 C ATOM 792 OE1 GLU A 55 -5.684 -3.682 -12.117 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.009 -5.224 -10.586 1.00 0.00 O ATOM 0 H GLU A 55 -4.434 0.134 -10.803 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.221 -1.492 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.870 -2.249 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.832 -3.198 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.598 -3.838 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.610 -2.492 -9.549 1.00 0.00 H new ATOM 800 N VAL A 56 -0.945 -0.825 -9.324 1.00 0.00 N ATOM 801 CA VAL A 56 0.396 -0.363 -9.661 1.00 0.00 C ATOM 802 C VAL A 56 1.449 -1.387 -9.251 1.00 0.00 C ATOM 803 O VAL A 56 1.211 -2.219 -8.376 1.00 0.00 O ATOM 804 CB VAL A 56 0.713 0.983 -8.983 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.211 2.073 -9.502 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.606 0.855 -7.471 1.00 0.00 C ATOM 0 H VAL A 56 -1.032 -1.221 -8.388 1.00 0.00 H new ATOM 0 HA VAL A 56 0.423 -0.231 -10.743 1.00 0.00 H new ATOM 0 HB VAL A 56 1.737 1.262 -9.229 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.028 3.017 -9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.079 2.180 -10.579 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.246 1.805 -9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.833 1.815 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.406 0.553 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.314 0.105 -7.118 1.00 0.00 H new ATOM 816 N GLN A 57 2.613 -1.319 -9.888 1.00 0.00 N ATOM 817 CA GLN A 57 3.702 -2.241 -9.589 1.00 0.00 C ATOM 818 C GLN A 57 4.949 -1.484 -9.144 1.00 0.00 C ATOM 819 O GLN A 57 5.318 -0.471 -9.738 1.00 0.00 O ATOM 820 CB GLN A 57 4.023 -3.099 -10.814 1.00 0.00 C ATOM 821 CG GLN A 57 3.195 -4.371 -10.900 1.00 0.00 C ATOM 822 CD GLN A 57 3.011 -4.853 -12.325 1.00 0.00 C ATOM 823 OE1 GLN A 57 2.000 -4.562 -12.966 1.00 0.00 O ATOM 824 NE2 GLN A 57 3.990 -5.594 -12.831 1.00 0.00 N ATOM 0 H GLN A 57 2.826 -0.635 -10.614 1.00 0.00 H new ATOM 0 HA GLN A 57 3.382 -2.889 -8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.859 -2.507 -11.715 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.080 -3.364 -10.795 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.678 -5.154 -10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.217 -4.195 -10.451 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.810 -5.811 -12.265 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.922 -5.946 -13.786 1.00 0.00 H new ATOM 833 N VAL A 58 5.594 -1.982 -8.093 1.00 0.00 N ATOM 834 CA VAL A 58 6.800 -1.353 -7.568 1.00 0.00 C ATOM 835 C VAL A 58 7.855 -2.396 -7.217 1.00 0.00 C ATOM 836 O VAL A 58 7.556 -3.407 -6.583 1.00 0.00 O ATOM 837 CB VAL A 58 6.493 -0.508 -6.318 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.717 0.744 -6.697 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.726 -1.331 -5.294 1.00 0.00 C ATOM 0 H VAL A 58 5.301 -2.819 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 58 7.185 -0.701 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 58 7.437 -0.199 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.509 1.328 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.307 1.342 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.777 0.460 -7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.517 -0.718 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.787 -1.671 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.323 -2.194 -5.000 1.00 0.00 H new ATOM 849 N GLY A 59 9.092 -2.142 -7.633 1.00 0.00 N ATOM 850 CA GLY A 59 10.174 -3.068 -7.353 1.00 0.00 C ATOM 851 C GLY A 59 10.525 -3.120 -5.879 1.00 0.00 C ATOM 852 O GLY A 59 11.019 -4.135 -5.387 1.00 0.00 O ATOM 0 H GLY A 59 9.364 -1.311 -8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.892 -4.065 -7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.056 -2.775 -7.923 1.00 0.00 H new ATOM 856 N ARG A 60 10.272 -2.023 -5.173 1.00 0.00 N ATOM 857 CA ARG A 60 10.567 -1.948 -3.747 1.00 0.00 C ATOM 858 C ARG A 60 9.294 -2.095 -2.919 1.00 0.00 C ATOM 859 O ARG A 60 8.188 -1.816 -3.382 1.00 0.00 O ATOM 860 CB ARG A 60 11.252 -0.620 -3.416 1.00 0.00 C ATOM 861 CG ARG A 60 12.047 -0.040 -4.575 1.00 0.00 C ATOM 862 CD ARG A 60 13.136 0.902 -4.086 1.00 0.00 C ATOM 863 NE ARG A 60 14.393 0.202 -3.836 1.00 0.00 N ATOM 864 CZ ARG A 60 15.178 -0.267 -4.800 1.00 0.00 C ATOM 865 NH1 ARG A 60 14.837 -0.111 -6.072 1.00 0.00 N ATOM 866 NH2 ARG A 60 16.307 -0.893 -4.493 1.00 0.00 N ATOM 0 H ARG A 60 9.864 -1.174 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 60 11.239 -2.769 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.496 0.102 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.919 -0.767 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.496 -0.849 -5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.376 0.495 -5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.298 1.685 -4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.806 1.393 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 60 14.684 0.066 -2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.970 0.370 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.441 -0.472 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 60 16.573 -1.015 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.909 -1.253 -5.234 1.00 0.00 H new ATOM 880 N PRO A 61 9.452 -2.544 -1.665 1.00 0.00 N ATOM 881 CA PRO A 61 8.326 -2.739 -0.747 1.00 0.00 C ATOM 882 C PRO A 61 7.707 -1.419 -0.300 1.00 0.00 C ATOM 883 O PRO A 61 6.792 -1.400 0.522 1.00 0.00 O ATOM 884 CB PRO A 61 8.961 -3.462 0.444 1.00 0.00 C ATOM 885 CG PRO A 61 10.396 -3.066 0.406 1.00 0.00 C ATOM 886 CD PRO A 61 10.741 -2.896 -1.048 1.00 0.00 C ATOM 0 HA PRO A 61 7.511 -3.292 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.493 -3.165 1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.846 -4.543 0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.560 -2.140 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.023 -3.828 0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.484 -2.113 -1.196 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.153 -3.811 -1.473 1.00 0.00 H new ATOM 894 N GLU A 62 8.212 -0.318 -0.848 1.00 0.00 N ATOM 895 CA GLU A 62 7.708 1.006 -0.505 1.00 0.00 C ATOM 896 C GLU A 62 7.010 1.649 -1.700 1.00 0.00 C ATOM 897 O GLU A 62 7.567 1.718 -2.795 1.00 0.00 O ATOM 898 CB GLU A 62 8.851 1.903 -0.025 1.00 0.00 C ATOM 899 CG GLU A 62 9.542 2.661 -1.146 1.00 0.00 C ATOM 900 CD GLU A 62 10.930 3.134 -0.760 1.00 0.00 C ATOM 901 OE1 GLU A 62 11.860 2.301 -0.752 1.00 0.00 O ATOM 902 OE2 GLU A 62 11.086 4.338 -0.468 1.00 0.00 O ATOM 0 H GLU A 62 8.970 -0.317 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 62 6.982 0.893 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.461 2.618 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.587 1.291 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.612 2.019 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.934 3.521 -1.427 1.00 0.00 H new ATOM 909 N VAL A 63 5.786 2.119 -1.481 1.00 0.00 N ATOM 910 CA VAL A 63 5.011 2.757 -2.538 1.00 0.00 C ATOM 911 C VAL A 63 4.526 4.136 -2.108 1.00 0.00 C ATOM 912 O VAL A 63 4.208 4.358 -0.938 1.00 0.00 O ATOM 913 CB VAL A 63 3.796 1.899 -2.939 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.769 1.870 -1.817 1.00 0.00 C ATOM 915 CG2 VAL A 63 3.176 2.423 -4.226 1.00 0.00 C ATOM 0 H VAL A 63 5.310 2.070 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 63 5.673 2.860 -3.398 1.00 0.00 H new ATOM 0 HB VAL A 63 4.136 0.878 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.918 1.259 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.221 1.445 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.431 2.885 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.319 1.805 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.850 3.453 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.915 2.387 -5.027 1.00 0.00 H new ATOM 925 N LEU A 64 4.470 5.061 -3.060 1.00 0.00 N ATOM 926 CA LEU A 64 4.022 6.421 -2.780 1.00 0.00 C ATOM 927 C LEU A 64 2.944 6.854 -3.768 1.00 0.00 C ATOM 928 O LEU A 64 3.211 7.028 -4.958 1.00 0.00 O ATOM 929 CB LEU A 64 5.204 7.391 -2.840 1.00 0.00 C ATOM 930 CG LEU A 64 4.860 8.876 -2.731 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.217 9.178 -1.386 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.104 9.729 -2.932 1.00 0.00 C ATOM 0 H LEU A 64 4.729 4.894 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 64 3.597 6.437 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.896 7.139 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.733 7.229 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 64 4.145 9.121 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.979 10.240 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.302 8.595 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.908 8.916 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.839 10.783 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.843 9.481 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.523 9.535 -3.920 1.00 0.00 H new ATOM 944 N LEU A 65 1.726 7.028 -3.268 1.00 0.00 N ATOM 945 CA LEU A 65 0.607 7.443 -4.107 1.00 0.00 C ATOM 946 C LEU A 65 0.451 8.960 -4.094 1.00 0.00 C ATOM 947 O LEU A 65 0.195 9.560 -3.050 1.00 0.00 O ATOM 948 CB LEU A 65 -0.687 6.782 -3.628 1.00 0.00 C ATOM 949 CG LEU A 65 -0.621 5.273 -3.389 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.891 4.784 -2.710 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.398 4.535 -4.701 1.00 0.00 C ATOM 0 H LEU A 65 1.488 6.888 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 65 0.813 7.126 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.996 7.264 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.466 6.979 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 65 0.222 5.065 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.826 3.708 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.008 5.289 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.750 5.004 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.354 3.462 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.220 4.750 -5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.540 4.864 -5.148 1.00 0.00 H new ATOM 963 N ASP A 66 0.604 9.575 -5.262 1.00 0.00 N ATOM 964 CA ASP A 66 0.477 11.023 -5.387 1.00 0.00 C ATOM 965 C ASP A 66 -0.863 11.398 -6.012 1.00 0.00 C ATOM 966 O ASP A 66 -1.262 10.839 -7.032 1.00 0.00 O ATOM 967 CB ASP A 66 1.623 11.586 -6.229 1.00 0.00 C ATOM 968 CG ASP A 66 1.891 10.757 -7.470 1.00 0.00 C ATOM 969 OD1 ASP A 66 1.182 10.952 -8.478 1.00 0.00 O ATOM 970 OD2 ASP A 66 2.811 9.912 -7.432 1.00 0.00 O ATOM 0 H ASP A 66 0.816 9.093 -6.136 1.00 0.00 H new ATOM 0 HA ASP A 66 0.525 11.456 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.386 12.608 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.528 11.630 -5.623 1.00 0.00 H new ATOM 975 N GLY A 67 -1.554 12.350 -5.391 1.00 0.00 N ATOM 976 CA GLY A 67 -2.842 12.783 -5.900 1.00 0.00 C ATOM 977 C GLY A 67 -4.001 12.177 -5.135 1.00 0.00 C ATOM 978 O GLY A 67 -4.718 11.320 -5.654 1.00 0.00 O ATOM 0 H GLY A 67 -1.245 12.829 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.904 13.870 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.923 12.511 -6.952 1.00 0.00 H new ATOM 982 N LEU A 68 -4.186 12.620 -3.896 1.00 0.00 N ATOM 983 CA LEU A 68 -5.267 12.114 -3.056 1.00 0.00 C ATOM 984 C LEU A 68 -6.028 13.260 -2.398 1.00 0.00 C ATOM 985 O LEU A 68 -5.724 14.431 -2.626 1.00 0.00 O ATOM 986 CB LEU A 68 -4.709 11.175 -1.985 1.00 0.00 C ATOM 987 CG LEU A 68 -3.973 9.936 -2.495 1.00 0.00 C ATOM 988 CD1 LEU A 68 -3.219 9.258 -1.362 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.948 8.966 -3.146 1.00 0.00 C ATOM 0 H LEU A 68 -3.602 13.328 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.959 11.561 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.027 11.743 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.534 10.848 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.250 10.251 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.702 8.378 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.492 9.953 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.923 8.956 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.406 8.090 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.696 8.657 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.441 9.455 -3.986 1.00 0.00 H new ATOM 1001 N GLU A 69 -7.016 12.915 -1.579 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.819 13.916 -0.887 1.00 0.00 C ATOM 1003 C GLU A 69 -7.637 13.809 0.625 1.00 0.00 C ATOM 1004 O GLU A 69 -7.498 12.720 1.183 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.297 13.755 -1.247 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.624 14.162 -2.674 1.00 0.00 C ATOM 1007 CD GLU A 69 -9.776 15.662 -2.832 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -10.664 16.242 -2.172 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -9.007 16.257 -3.616 1.00 0.00 O ATOM 0 H GLU A 69 -7.280 11.950 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.480 14.901 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.587 12.715 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.897 14.353 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.836 13.808 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.547 13.672 -2.985 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.638 14.966 1.304 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.475 15.029 2.759 1.00 0.00 C ATOM 1018 C PRO A 70 -8.687 14.478 3.503 1.00 0.00 C ATOM 1019 O PRO A 70 -9.822 14.614 3.048 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.315 16.527 3.033 1.00 0.00 C ATOM 1021 CG PRO A 70 -8.003 17.196 1.894 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.799 16.300 0.703 1.00 0.00 C ATOM 0 HA PRO A 70 -6.634 14.426 3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.765 16.805 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.264 16.810 3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.064 17.331 2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.586 18.187 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.651 16.335 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.920 16.590 0.127 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.438 13.856 4.651 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.519 13.294 5.440 1.00 0.00 C ATOM 1032 C GLY A 71 -10.227 12.158 4.728 1.00 0.00 C ATOM 1033 O GLY A 71 -11.457 12.110 4.691 1.00 0.00 O ATOM 0 H GLY A 71 -7.507 13.731 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.122 12.933 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.240 14.078 5.673 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.449 11.242 4.160 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.009 10.103 3.442 1.00 0.00 C ATOM 1039 C ARG A 72 -9.247 8.824 3.775 1.00 0.00 C ATOM 1040 O ARG A 72 -8.028 8.842 3.948 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.972 10.355 1.934 1.00 0.00 C ATOM 1042 CG ARG A 72 -10.842 9.398 1.135 1.00 0.00 C ATOM 1043 CD ARG A 72 -11.374 10.053 -0.129 1.00 0.00 C ATOM 1044 NE ARG A 72 -12.595 10.815 0.121 1.00 0.00 N ATOM 1045 CZ ARG A 72 -13.763 10.256 0.418 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -13.868 8.937 0.502 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -14.828 11.017 0.633 1.00 0.00 N ATOM 0 H ARG A 72 -8.430 11.266 4.183 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.045 9.980 3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.295 11.377 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.942 10.274 1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.264 8.512 0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.676 9.062 1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.613 10.714 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.572 9.287 -0.878 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.548 11.832 0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.051 8.349 0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.766 8.510 0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.751 12.032 0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.724 10.587 0.861 1.00 0.00 H new ATOM 1061 N ASP A 73 -9.973 7.715 3.863 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.366 6.426 4.174 1.00 0.00 C ATOM 1063 C ASP A 73 -9.216 5.578 2.915 1.00 0.00 C ATOM 1064 O ASP A 73 -10.108 5.544 2.067 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.208 5.678 5.210 1.00 0.00 C ATOM 1066 CG ASP A 73 -10.800 6.606 6.253 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -11.877 7.181 5.992 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -10.185 6.757 7.330 1.00 0.00 O ATOM 0 H ASP A 73 -10.983 7.683 3.723 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.374 6.610 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.013 5.145 4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.590 4.928 5.704 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.082 4.896 2.799 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.813 4.051 1.642 1.00 0.00 C ATOM 1075 C TYR A 74 -7.264 2.695 2.073 1.00 0.00 C ATOM 1076 O TYR A 74 -6.421 2.610 2.966 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.822 4.739 0.701 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.373 5.986 0.048 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -8.262 5.903 -1.016 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -7.006 7.249 0.497 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.767 7.040 -1.616 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.507 8.392 -0.095 1.00 0.00 C ATOM 1083 CZ TYR A 74 -8.387 8.282 -1.152 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.889 9.417 -1.746 1.00 0.00 O ATOM 0 H TYR A 74 -7.334 4.912 3.492 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.754 3.891 1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.923 4.999 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.522 4.035 -0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.564 4.932 -1.381 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.317 7.338 1.324 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.456 6.957 -2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.212 9.366 0.267 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.523 10.209 -1.300 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.749 1.636 1.432 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.307 0.283 1.750 1.00 0.00 C ATOM 1096 C GLU A 75 -6.253 -0.193 0.754 1.00 0.00 C ATOM 1097 O GLU A 75 -6.540 -0.995 -0.135 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.497 -0.679 1.749 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.569 -0.322 2.765 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.444 -1.506 3.130 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -10.049 -2.283 4.023 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -11.525 -1.653 2.521 1.00 0.00 O ATOM 0 H GLU A 75 -8.447 1.689 0.690 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.862 0.298 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.942 -0.693 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.138 -1.688 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.095 0.066 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.193 0.476 2.364 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.031 0.307 0.909 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.934 -0.066 0.025 1.00 0.00 C ATOM 1111 C VAL A 76 -3.473 -1.494 0.295 1.00 0.00 C ATOM 1112 O VAL A 76 -2.800 -1.762 1.289 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.735 0.888 0.185 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.569 0.429 -0.677 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.138 2.312 -0.164 1.00 0.00 C ATOM 0 H VAL A 76 -4.776 0.972 1.639 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.311 0.005 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.415 0.870 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.731 1.115 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.266 -0.573 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.873 0.416 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.279 2.973 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.485 2.349 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.939 2.636 0.500 1.00 0.00 H new ATOM 1125 N SER A 77 -3.839 -2.407 -0.599 1.00 0.00 N ATOM 1126 CA SER A 77 -3.466 -3.809 -0.456 1.00 0.00 C ATOM 1127 C SER A 77 -2.128 -4.087 -1.135 1.00 0.00 C ATOM 1128 O SER A 77 -1.813 -3.506 -2.173 1.00 0.00 O ATOM 1129 CB SER A 77 -4.550 -4.711 -1.052 1.00 0.00 C ATOM 1130 OG SER A 77 -4.172 -6.075 -0.985 1.00 0.00 O ATOM 0 H SER A 77 -4.393 -2.201 -1.430 1.00 0.00 H new ATOM 0 HA SER A 77 -3.367 -4.026 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.487 -4.563 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.730 -4.431 -2.090 1.00 0.00 H new ATOM 0 HG SER A 77 -4.293 -6.491 -1.864 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.344 -4.980 -0.540 1.00 0.00 N ATOM 1137 CA VAL A 78 -0.040 -5.337 -1.085 1.00 0.00 C ATOM 1138 C VAL A 78 0.055 -6.836 -1.346 1.00 0.00 C ATOM 1139 O VAL A 78 -0.387 -7.647 -0.533 1.00 0.00 O ATOM 1140 CB VAL A 78 1.099 -4.920 -0.136 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.452 -5.142 -0.795 1.00 0.00 C ATOM 1142 CG2 VAL A 78 0.935 -3.467 0.285 1.00 0.00 C ATOM 0 H VAL A 78 -1.590 -5.470 0.320 1.00 0.00 H new ATOM 0 HA VAL A 78 0.067 -4.799 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 78 1.050 -5.542 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.244 -4.842 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.567 -6.197 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.515 -4.546 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.748 -3.188 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.957 -2.828 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.018 -3.343 0.799 1.00 0.00 H new ATOM 1152 N GLN A 79 0.635 -7.197 -2.487 1.00 0.00 N ATOM 1153 CA GLN A 79 0.787 -8.600 -2.855 1.00 0.00 C ATOM 1154 C GLN A 79 2.145 -8.848 -3.503 1.00 0.00 C ATOM 1155 O GLN A 79 2.502 -8.200 -4.487 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.331 -9.023 -3.808 1.00 0.00 C ATOM 1157 CG GLN A 79 0.025 -10.225 -4.668 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.053 -10.559 -5.680 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -1.439 -9.719 -6.493 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.547 -11.791 -5.635 1.00 0.00 N ATOM 0 H GLN A 79 1.007 -6.538 -3.171 1.00 0.00 H new ATOM 0 HA GLN A 79 0.724 -9.197 -1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.224 -9.254 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.581 -8.184 -4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.961 -10.028 -5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.195 -11.089 -4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.198 -12.456 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.276 -12.073 -6.291 1.00 0.00 H new ATOM 1169 N SER A 80 2.899 -9.790 -2.945 1.00 0.00 N ATOM 1170 CA SER A 80 4.220 -10.120 -3.466 1.00 0.00 C ATOM 1171 C SER A 80 4.110 -11.009 -4.701 1.00 0.00 C ATOM 1172 O SER A 80 3.519 -12.088 -4.654 1.00 0.00 O ATOM 1173 CB SER A 80 5.055 -10.821 -2.393 1.00 0.00 C ATOM 1174 OG SER A 80 4.855 -10.227 -1.122 1.00 0.00 O ATOM 0 H SER A 80 2.617 -10.338 -2.132 1.00 0.00 H new ATOM 0 HA SER A 80 4.713 -9.191 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.786 -11.877 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.111 -10.771 -2.659 1.00 0.00 H new ATOM 0 HG SER A 80 5.617 -10.433 -0.541 1.00 0.00 H new ATOM 1180 N LEU A 81 4.683 -10.547 -5.807 1.00 0.00 N ATOM 1181 CA LEU A 81 4.651 -11.299 -7.057 1.00 0.00 C ATOM 1182 C LEU A 81 5.977 -12.011 -7.299 1.00 0.00 C ATOM 1183 O LEU A 81 7.005 -11.372 -7.524 1.00 0.00 O ATOM 1184 CB LEU A 81 4.339 -10.365 -8.228 1.00 0.00 C ATOM 1185 CG LEU A 81 2.876 -9.952 -8.386 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.963 -11.162 -8.270 1.00 0.00 C ATOM 1187 CD2 LEU A 81 2.504 -8.900 -7.351 1.00 0.00 C ATOM 0 H LEU A 81 5.175 -9.655 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 81 3.866 -12.051 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.940 -9.463 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.660 -10.851 -9.149 1.00 0.00 H new ATOM 0 HG LEU A 81 2.746 -9.519 -9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.926 -10.848 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.213 -11.882 -9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.095 -11.625 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.459 -8.618 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.651 -9.306 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.136 -8.021 -7.482 1.00 0.00 H new ATOM 1199 N ARG A 82 5.947 -13.339 -7.252 1.00 0.00 N ATOM 1200 CA ARG A 82 7.147 -14.139 -7.467 1.00 0.00 C ATOM 1201 C ARG A 82 6.879 -15.263 -8.463 1.00 0.00 C ATOM 1202 O ARG A 82 7.073 -16.439 -8.155 1.00 0.00 O ATOM 1203 CB ARG A 82 7.640 -14.723 -6.142 1.00 0.00 C ATOM 1204 CG ARG A 82 8.992 -15.410 -6.245 1.00 0.00 C ATOM 1205 CD ARG A 82 9.132 -16.522 -5.218 1.00 0.00 C ATOM 1206 NE ARG A 82 8.597 -17.789 -5.707 1.00 0.00 N ATOM 1207 CZ ARG A 82 8.584 -18.907 -4.990 1.00 0.00 C ATOM 1208 NH1 ARG A 82 9.075 -18.914 -3.758 1.00 0.00 N ATOM 1209 NH2 ARG A 82 8.080 -20.022 -5.504 1.00 0.00 N ATOM 0 H ARG A 82 5.105 -13.884 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 82 7.919 -13.489 -7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.703 -13.924 -5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.905 -15.439 -5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.117 -15.821 -7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.786 -14.677 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.184 -16.648 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.612 -16.238 -4.303 1.00 0.00 H new ATOM 0 HE ARG A 82 8.212 -17.817 -6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.464 -18.060 -3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.064 -19.774 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.702 -20.021 -6.451 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.071 -20.880 -4.952 1.00 0.00 H new ATOM 1223 N GLY A 83 6.432 -14.894 -9.660 1.00 0.00 N ATOM 1224 CA GLY A 83 6.144 -15.882 -10.682 1.00 0.00 C ATOM 1225 C GLY A 83 4.726 -15.778 -11.207 1.00 0.00 C ATOM 1226 O GLY A 83 4.107 -14.714 -11.178 1.00 0.00 O ATOM 0 H GLY A 83 6.264 -13.927 -9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.844 -15.760 -11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.304 -16.880 -10.274 1.00 0.00 H new ATOM 1230 N PRO A 84 4.190 -16.903 -11.703 1.00 0.00 N ATOM 1231 CA PRO A 84 2.830 -16.959 -12.247 1.00 0.00 C ATOM 1232 C PRO A 84 1.766 -16.813 -11.165 1.00 0.00 C ATOM 1233 O PRO A 84 0.582 -16.659 -11.464 1.00 0.00 O ATOM 1234 CB PRO A 84 2.760 -18.351 -12.882 1.00 0.00 C ATOM 1235 CG PRO A 84 3.765 -19.159 -12.137 1.00 0.00 C ATOM 1236 CD PRO A 84 4.870 -18.208 -11.769 1.00 0.00 C ATOM 0 HA PRO A 84 2.637 -16.146 -12.946 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.762 -18.778 -12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.993 -18.313 -13.946 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.323 -19.607 -11.247 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.142 -19.976 -12.752 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.326 -18.472 -10.815 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.666 -18.209 -12.514 1.00 0.00 H new ATOM 1244 N GLU A 85 2.196 -16.861 -9.908 1.00 0.00 N ATOM 1245 CA GLU A 85 1.278 -16.734 -8.782 1.00 0.00 C ATOM 1246 C GLU A 85 1.734 -15.631 -7.831 1.00 0.00 C ATOM 1247 O GLU A 85 2.930 -15.425 -7.630 1.00 0.00 O ATOM 1248 CB GLU A 85 1.173 -18.061 -8.028 1.00 0.00 C ATOM 1249 CG GLU A 85 2.509 -18.583 -7.526 1.00 0.00 C ATOM 1250 CD GLU A 85 2.355 -19.640 -6.450 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.455 -20.496 -6.585 1.00 0.00 O ATOM 1252 OE2 GLU A 85 3.133 -19.612 -5.473 1.00 0.00 O ATOM 0 H GLU A 85 3.173 -16.987 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 85 0.296 -16.469 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.500 -17.935 -7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.724 -18.807 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.069 -19.000 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.095 -17.752 -7.133 1.00 0.00 H new ATOM 1259 N GLY A 86 0.770 -14.924 -7.249 1.00 0.00 N ATOM 1260 CA GLY A 86 1.091 -13.850 -6.327 1.00 0.00 C ATOM 1261 C GLY A 86 0.678 -14.166 -4.903 1.00 0.00 C ATOM 1262 O GLY A 86 -0.139 -15.057 -4.670 1.00 0.00 O ATOM 0 H GLY A 86 -0.227 -15.076 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.164 -13.658 -6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.594 -12.936 -6.652 1.00 0.00 H new ATOM 1266 N SER A 87 1.245 -13.435 -3.949 1.00 0.00 N ATOM 1267 CA SER A 87 0.936 -13.646 -2.540 1.00 0.00 C ATOM 1268 C SER A 87 -0.495 -13.217 -2.227 1.00 0.00 C ATOM 1269 O SER A 87 -1.246 -12.829 -3.121 1.00 0.00 O ATOM 1270 CB SER A 87 1.917 -12.870 -1.659 1.00 0.00 C ATOM 1271 OG SER A 87 2.124 -13.530 -0.422 1.00 0.00 O ATOM 0 H SER A 87 1.921 -12.692 -4.126 1.00 0.00 H new ATOM 0 HA SER A 87 1.032 -14.711 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.868 -12.759 -2.179 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.533 -11.866 -1.479 1.00 0.00 H new ATOM 0 HG SER A 87 2.814 -14.218 -0.530 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.863 -13.290 -0.952 1.00 0.00 N ATOM 1278 CA GLU A 88 -2.204 -12.910 -0.522 1.00 0.00 C ATOM 1279 C GLU A 88 -2.360 -11.392 -0.506 1.00 0.00 C ATOM 1280 O GLU A 88 -1.377 -10.655 -0.578 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.498 -13.479 0.868 1.00 0.00 C ATOM 1282 CG GLU A 88 -3.112 -14.868 0.839 1.00 0.00 C ATOM 1283 CD GLU A 88 -2.828 -15.658 2.102 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -1.644 -15.759 2.485 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -3.791 -16.175 2.707 1.00 0.00 O ATOM 0 H GLU A 88 -0.252 -13.608 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.918 -13.324 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.571 -13.512 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.173 -12.803 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.190 -14.782 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.725 -15.414 -0.021 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.603 -10.932 -0.410 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.889 -9.503 -0.383 1.00 0.00 C ATOM 1294 C ALA A 89 -3.854 -8.963 1.043 1.00 0.00 C ATOM 1295 O ALA A 89 -4.723 -9.275 1.857 1.00 0.00 O ATOM 1296 CB ALA A 89 -5.241 -9.223 -1.022 1.00 0.00 C ATOM 0 H ALA A 89 -4.428 -11.528 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.116 -8.992 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.441 -8.152 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.232 -9.564 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.020 -9.752 -0.472 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.843 -8.153 1.339 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.693 -7.571 2.667 1.00 0.00 C ATOM 1304 C ARG A 90 -2.585 -6.051 2.586 1.00 0.00 C ATOM 1305 O ARG A 90 -1.570 -5.514 2.145 1.00 0.00 O ATOM 1306 CB ARG A 90 -1.457 -8.145 3.362 1.00 0.00 C ATOM 1307 CG ARG A 90 -1.472 -9.661 3.478 1.00 0.00 C ATOM 1308 CD ARG A 90 -2.336 -10.122 4.641 1.00 0.00 C ATOM 1309 NE ARG A 90 -2.778 -11.505 4.480 1.00 0.00 N ATOM 1310 CZ ARG A 90 -3.458 -12.172 5.406 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -3.772 -11.586 6.553 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -3.825 -13.428 5.186 1.00 0.00 N ATOM 0 H ARG A 90 -2.115 -7.885 0.677 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.579 -7.824 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.567 -7.840 2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.378 -7.713 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.847 -10.094 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.454 -10.027 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.774 -10.027 5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.206 -9.471 4.727 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.552 -11.985 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.491 -10.621 6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.294 -12.100 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.585 -13.883 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.347 -13.939 5.898 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.639 -5.364 3.016 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.642 -3.913 2.983 1.00 0.00 C ATOM 1328 C GLY A 91 -3.792 -3.302 4.362 1.00 0.00 C ATOM 1329 O GLY A 91 -4.179 -3.984 5.311 1.00 0.00 O ATOM 0 H GLY A 91 -4.490 -5.786 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.714 -3.561 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.457 -3.569 2.346 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.484 -2.014 4.474 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.587 -1.313 5.747 1.00 0.00 C ATOM 1335 C ILE A 92 -4.530 -0.119 5.642 1.00 0.00 C ATOM 1336 O ILE A 92 -4.593 0.547 4.609 1.00 0.00 O ATOM 1337 CB ILE A 92 -2.209 -0.823 6.233 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.320 -0.235 7.641 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.642 0.205 5.266 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.989 0.176 8.231 1.00 0.00 C ATOM 0 H ILE A 92 -3.161 -1.435 3.698 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.986 -2.026 6.469 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.528 -1.674 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.979 0.633 7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.788 -0.969 8.297 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.669 0.542 5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.531 -0.246 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.319 1.057 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.144 0.584 9.230 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.334 -0.693 8.292 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.528 0.934 7.597 1.00 0.00 H new ATOM 1352 N ARG A 93 -5.261 0.147 6.720 1.00 0.00 N ATOM 1353 CA ARG A 93 -6.200 1.261 6.750 1.00 0.00 C ATOM 1354 C ARG A 93 -5.466 2.595 6.647 1.00 0.00 C ATOM 1355 O ARG A 93 -4.999 3.136 7.649 1.00 0.00 O ATOM 1356 CB ARG A 93 -7.030 1.221 8.035 1.00 0.00 C ATOM 1357 CG ARG A 93 -8.355 1.958 7.927 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.213 3.421 8.317 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.457 3.967 8.854 1.00 0.00 N ATOM 1360 CZ ARG A 93 -9.523 5.099 9.546 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -8.423 5.800 9.784 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -10.692 5.532 10.002 1.00 0.00 N ATOM 0 H ARG A 93 -5.221 -0.394 7.584 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.865 1.166 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.223 0.182 8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.447 1.655 8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.729 1.887 6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -9.093 1.479 8.571 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.422 3.523 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.909 4.001 7.445 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.321 3.451 8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.523 5.470 9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.477 6.669 10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.540 4.995 9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.742 6.401 10.533 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.368 3.118 5.430 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.692 4.388 5.196 1.00 0.00 C ATOM 1378 C ALA A 94 -5.543 5.559 5.676 1.00 0.00 C ATOM 1379 O ALA A 94 -6.772 5.507 5.626 1.00 0.00 O ATOM 1380 CB ALA A 94 -4.360 4.545 3.720 1.00 0.00 C ATOM 0 H ALA A 94 -5.748 2.682 4.590 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.764 4.388 5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.855 5.498 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.707 3.731 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.280 4.519 3.135 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.881 6.613 6.143 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.578 7.796 6.634 1.00 0.00 C ATOM 1388 C ARG A 95 -4.763 9.058 6.363 1.00 0.00 C ATOM 1389 O ARG A 95 -3.538 9.007 6.248 1.00 0.00 O ATOM 1390 CB ARG A 95 -5.853 7.666 8.133 1.00 0.00 C ATOM 1391 CG ARG A 95 -4.676 8.068 9.006 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.697 7.339 10.340 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.363 7.228 10.924 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.142 7.049 12.222 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.160 6.961 13.066 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -1.899 6.957 12.677 1.00 0.00 N ATOM 0 H ARG A 95 -3.864 6.672 6.192 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.527 7.875 6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.713 8.284 8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.124 6.634 8.356 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.744 7.849 8.485 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.700 9.144 9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.353 7.868 11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.116 6.342 10.202 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.557 7.291 10.302 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.117 7.031 12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.987 6.824 14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.113 7.024 12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.730 6.820 13.673 1.00 0.00 H new ATOM 1410 N THR A 96 -5.452 10.190 6.262 1.00 0.00 N ATOM 1411 CA THR A 96 -4.794 11.465 6.003 1.00 0.00 C ATOM 1412 C THR A 96 -5.523 12.611 6.696 1.00 0.00 C ATOM 1413 O THR A 96 -6.752 12.648 6.760 1.00 0.00 O ATOM 1414 CB THR A 96 -4.715 11.760 4.493 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.033 11.925 3.957 1.00 0.00 O ATOM 1416 CG2 THR A 96 -4.000 10.636 3.759 1.00 0.00 C ATOM 0 H THR A 96 -6.466 10.250 6.356 1.00 0.00 H new ATOM 0 HA THR A 96 -3.783 11.386 6.404 1.00 0.00 H new ATOM 0 HB THR A 96 -4.149 12.681 4.354 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.972 12.191 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.956 10.867 2.695 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.988 10.532 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.543 9.702 3.906 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.750 13.570 7.226 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.302 14.736 7.923 1.00 0.00 C ATOM 1426 C PRO A 97 -6.011 15.696 6.974 1.00 0.00 C ATOM 1427 O PRO A 97 -6.318 15.346 5.834 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.066 15.402 8.532 1.00 0.00 C ATOM 1429 CG PRO A 97 -2.936 14.976 7.659 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.278 13.590 7.187 1.00 0.00 C ATOM 0 HA PRO A 97 -6.056 14.453 8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.168 16.487 8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.912 15.083 9.563 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.816 15.657 6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.995 14.980 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.900 13.403 6.182 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.848 12.827 7.836 1.00 0.00 H new ATOM 1438 N THR A 98 -6.270 16.909 7.451 1.00 0.00 N ATOM 1439 CA THR A 98 -6.944 17.920 6.646 1.00 0.00 C ATOM 1440 C THR A 98 -6.229 19.263 6.739 1.00 0.00 C ATOM 1441 O THR A 98 -6.099 19.834 7.822 1.00 0.00 O ATOM 1442 CB THR A 98 -8.410 18.100 7.082 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.481 18.271 8.502 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.249 16.900 6.668 1.00 0.00 C ATOM 0 H THR A 98 -6.023 17.216 8.392 1.00 0.00 H new ATOM 0 HA THR A 98 -6.920 17.570 5.614 1.00 0.00 H new ATOM 0 HB THR A 98 -8.806 18.988 6.589 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.687 18.754 8.813 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.281 17.050 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.216 16.790 5.584 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.852 15.999 7.136 1.00 0.00 H new ATOM 1452 N SER A 99 -5.769 19.764 5.597 1.00 0.00 N ATOM 1453 CA SER A 99 -5.065 21.040 5.550 1.00 0.00 C ATOM 1454 C SER A 99 -6.048 22.205 5.600 1.00 0.00 C ATOM 1455 O SER A 99 -5.879 23.142 6.380 1.00 0.00 O ATOM 1456 CB SER A 99 -4.213 21.130 4.282 1.00 0.00 C ATOM 1457 OG SER A 99 -3.430 22.311 4.277 1.00 0.00 O ATOM 0 H SER A 99 -5.871 19.305 4.692 1.00 0.00 H new ATOM 0 HA SER A 99 -4.414 21.100 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.562 20.258 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.859 21.114 3.404 1.00 0.00 H new ATOM 0 HG SER A 99 -2.894 22.344 3.458 1.00 0.00 H new ATOM 1463 N GLY A 100 -7.077 22.139 4.761 1.00 0.00 N ATOM 1464 CA GLY A 100 -8.073 23.194 4.724 1.00 0.00 C ATOM 1465 C GLY A 100 -8.380 23.750 6.100 1.00 0.00 C ATOM 1466 O GLY A 100 -7.807 24.750 6.532 1.00 0.00 O ATOM 0 H GLY A 100 -7.239 21.374 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.720 24.000 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.990 22.808 4.279 1.00 0.00 H new ATOM 1470 N PRO A 101 -9.307 23.093 6.814 1.00 0.00 N ATOM 1471 CA PRO A 101 -9.712 23.510 8.160 1.00 0.00 C ATOM 1472 C PRO A 101 -8.614 23.281 9.192 1.00 0.00 C ATOM 1473 O PRO A 101 -8.013 22.208 9.246 1.00 0.00 O ATOM 1474 CB PRO A 101 -10.921 22.620 8.458 1.00 0.00 C ATOM 1475 CG PRO A 101 -10.722 21.413 7.608 1.00 0.00 C ATOM 1476 CD PRO A 101 -10.031 21.893 6.362 1.00 0.00 C ATOM 0 HA PRO A 101 -9.929 24.577 8.209 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.968 22.357 9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.855 23.126 8.214 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.119 20.666 8.125 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.676 20.943 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.351 21.140 5.964 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.744 22.128 5.572 1.00 0.00 H new ATOM 1484 N SER A 102 -8.356 24.296 10.011 1.00 0.00 N ATOM 1485 CA SER A 102 -7.327 24.206 11.040 1.00 0.00 C ATOM 1486 C SER A 102 -7.892 23.601 12.322 1.00 0.00 C ATOM 1487 O SER A 102 -9.085 23.718 12.604 1.00 0.00 O ATOM 1488 CB SER A 102 -6.744 25.590 11.331 1.00 0.00 C ATOM 1489 OG SER A 102 -5.863 25.999 10.298 1.00 0.00 O ATOM 0 H SER A 102 -8.846 25.190 9.982 1.00 0.00 H new ATOM 0 HA SER A 102 -6.534 23.556 10.670 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.552 26.315 11.433 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.211 25.571 12.282 1.00 0.00 H new ATOM 0 HG SER A 102 -5.505 26.887 10.506 1.00 0.00 H new ATOM 1495 N SER A 103 -7.026 22.952 13.094 1.00 0.00 N ATOM 1496 CA SER A 103 -7.438 22.325 14.344 1.00 0.00 C ATOM 1497 C SER A 103 -6.278 22.270 15.333 1.00 0.00 C ATOM 1498 O SER A 103 -5.125 22.492 14.967 1.00 0.00 O ATOM 1499 CB SER A 103 -7.966 20.913 14.081 1.00 0.00 C ATOM 1500 OG SER A 103 -6.960 20.089 13.518 1.00 0.00 O ATOM 0 H SER A 103 -6.035 22.847 12.876 1.00 0.00 H new ATOM 0 HA SER A 103 -8.235 22.928 14.779 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.320 20.474 15.014 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.821 20.961 13.407 1.00 0.00 H new ATOM 0 HG SER A 103 -7.322 19.192 13.361 1.00 0.00 H new ATOM 1506 N GLY A 104 -6.593 21.971 16.590 1.00 0.00 N ATOM 1507 CA GLY A 104 -5.567 21.892 17.613 1.00 0.00 C ATOM 1508 C GLY A 104 -5.998 21.060 18.804 1.00 0.00 C ATOM 1509 O GLY A 104 -5.257 20.926 19.777 1.00 0.00 O ATOM 0 H GLY A 104 -7.540 21.782 16.918 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.662 21.463 17.183 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.315 22.898 17.949 1.00 0.00 H new TER 1513 GLY A 104