USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 619 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 8 LYS NZ :NH3+ -152:sc= -0.058 (180deg=-0.423) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.362 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= -0.0375 USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= 0.339 USER MOD Single : A 4 SER OG : rot 28:sc= 0.0427 USER MOD Single : A 11 THR OG1 : rot -63:sc= 0.768 USER MOD Single : A 12 THR OG1 : rot 68:sc= 0.319 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -139:sc= -0.709 (180deg=-2.6!) USER MOD Single : A 26 THR OG1 : rot -170:sc= -1.14 USER MOD Single : A 31 MET CE :methyl -154:sc= -1.03 (180deg=-1.63!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0.763 (180deg=0.747) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.67 F(o=-2.4,f=-1.7) USER MOD Single : A 38 THR OG1 : rot -80:sc= -0.0422 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0119 F(o=-0.91,f=-0.012) USER MOD Single : A 49 TYR OH : rot -99:sc= 0.267 USER MOD Single : A 50 ASN : amide:sc= -0.014 K(o=-0.014,f=-0.7) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 64 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.18) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 40:sc= 0.0212 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.960 -2.917 -1.640 1.00 0.00 N ATOM 29 CA SER A 4 -3.923 -1.834 -1.884 1.00 0.00 C ATOM 30 C SER A 4 -3.434 -0.936 -3.040 1.00 0.00 C ATOM 31 O SER A 4 -2.235 -0.666 -3.170 1.00 0.00 O ATOM 32 CB SER A 4 -4.120 -0.999 -0.598 1.00 0.00 C ATOM 33 OG SER A 4 -4.589 -1.798 0.478 1.00 0.00 O ATOM 0 HA SER A 4 -4.881 -2.271 -2.166 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.176 -0.531 -0.320 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.830 -0.195 -0.791 1.00 0.00 H new ATOM 0 HG SER A 4 -4.290 -2.723 0.353 1.00 0.00 H new ATOM 39 N LEU A 5 -4.375 -0.506 -3.883 1.00 0.00 N ATOM 40 CA LEU A 5 -4.134 0.430 -4.997 1.00 0.00 C ATOM 41 C LEU A 5 -4.816 1.780 -4.718 1.00 0.00 C ATOM 42 O LEU A 5 -5.943 1.827 -4.210 1.00 0.00 O ATOM 43 CB LEU A 5 -4.587 -0.215 -6.345 1.00 0.00 C ATOM 44 CG LEU A 5 -5.932 -1.031 -6.367 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.191 -0.129 -6.386 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.934 -2.027 -7.547 1.00 0.00 C ATOM 0 H LEU A 5 -5.349 -0.802 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.067 0.632 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.670 0.582 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.790 -0.879 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.982 -1.590 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.085 -0.752 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.202 0.500 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.174 0.501 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.870 -2.585 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.834 -1.480 -8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.099 -2.720 -7.440 1.00 0.00 H new ATOM 58 N GLU A 6 -4.116 2.873 -5.043 1.00 0.00 N ATOM 59 CA GLU A 6 -4.553 4.233 -4.714 1.00 0.00 C ATOM 60 C GLU A 6 -5.354 4.834 -5.880 1.00 0.00 C ATOM 61 O GLU A 6 -4.815 5.051 -6.963 1.00 0.00 O ATOM 62 CB GLU A 6 -3.328 5.108 -4.379 1.00 0.00 C ATOM 63 CG GLU A 6 -3.684 6.530 -3.922 1.00 0.00 C ATOM 64 CD GLU A 6 -2.453 7.401 -3.690 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.926 7.963 -4.674 1.00 0.00 O ATOM 66 OE2 GLU A 6 -2.001 7.529 -2.534 1.00 0.00 O ATOM 0 H GLU A 6 -3.228 2.838 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.204 4.198 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.749 4.620 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.687 5.170 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.320 7.000 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.265 6.476 -3.001 1.00 0.00 H new ATOM 73 N ILE A 7 -6.643 5.084 -5.647 1.00 0.00 N ATOM 74 CA ILE A 7 -7.566 5.682 -6.632 1.00 0.00 C ATOM 75 C ILE A 7 -8.071 7.051 -6.147 1.00 0.00 C ATOM 76 O ILE A 7 -7.902 7.410 -4.974 1.00 0.00 O ATOM 77 CB ILE A 7 -8.795 4.727 -6.881 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.581 4.465 -5.543 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.322 3.397 -7.519 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.882 3.707 -5.702 1.00 0.00 C ATOM 0 H ILE A 7 -7.090 4.875 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.019 5.818 -7.565 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.478 5.216 -7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.935 3.909 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.792 5.424 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.181 2.747 -7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.834 3.604 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.618 2.903 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.349 3.576 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.553 4.268 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.682 2.730 -6.142 1.00 0.00 H new ATOM 92 N LYS A 8 -8.695 7.814 -7.063 1.00 0.00 N ATOM 93 CA LYS A 8 -9.373 9.088 -6.735 1.00 0.00 C ATOM 94 C LYS A 8 -10.877 8.961 -6.979 1.00 0.00 C ATOM 95 O LYS A 8 -11.294 8.179 -7.830 1.00 0.00 O ATOM 96 CB LYS A 8 -8.803 10.275 -7.562 1.00 0.00 C ATOM 97 CG LYS A 8 -7.295 10.576 -7.318 1.00 0.00 C ATOM 98 CD LYS A 8 -6.362 9.932 -8.362 1.00 0.00 C ATOM 99 CE LYS A 8 -6.513 10.594 -9.742 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.647 9.968 -10.765 1.00 0.00 N ATOM 0 H LYS A 8 -8.745 7.568 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.189 9.296 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.950 10.065 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.380 11.171 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.143 11.655 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.018 10.220 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.328 10.017 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.584 8.868 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.553 10.529 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.269 11.653 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.407 10.670 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.775 9.622 -10.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.150 9.171 -11.205 1.00 0.00 H new ATOM 114 N ILE A 9 -11.693 9.703 -6.198 1.00 0.00 N ATOM 115 CA ILE A 9 -13.158 9.738 -6.370 1.00 0.00 C ATOM 116 C ILE A 9 -13.634 11.211 -6.376 1.00 0.00 C ATOM 117 O ILE A 9 -13.791 11.834 -5.313 1.00 0.00 O ATOM 118 CB ILE A 9 -13.968 8.943 -5.255 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.455 7.465 -5.029 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.477 8.930 -5.612 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.214 7.328 -4.150 1.00 0.00 C ATOM 0 H ILE A 9 -11.355 10.290 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.363 9.239 -7.317 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.802 9.472 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.261 6.883 -4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.242 7.020 -6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.028 8.384 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.847 9.954 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.618 8.443 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.947 6.275 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.386 7.875 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.422 7.736 -3.161 1.00 0.00 H new ATOM 133 N ARG A 10 -13.811 11.766 -7.583 1.00 0.00 N ATOM 134 CA ARG A 10 -14.375 13.109 -7.803 1.00 0.00 C ATOM 135 C ARG A 10 -15.871 13.133 -7.426 1.00 0.00 C ATOM 136 O ARG A 10 -16.692 12.505 -8.094 1.00 0.00 O ATOM 137 CB ARG A 10 -14.189 13.513 -9.289 1.00 0.00 C ATOM 138 CG ARG A 10 -14.763 14.901 -9.673 1.00 0.00 C ATOM 139 CD ARG A 10 -14.590 15.210 -11.171 1.00 0.00 C ATOM 140 NE ARG A 10 -13.163 15.185 -11.560 1.00 0.00 N ATOM 141 CZ ARG A 10 -12.649 14.506 -12.601 1.00 0.00 C ATOM 142 NH1 ARG A 10 -13.421 13.812 -13.417 1.00 0.00 N ATOM 143 NH2 ARG A 10 -11.352 14.533 -12.829 1.00 0.00 N ATOM 0 H ARG A 10 -13.563 11.288 -8.449 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.850 13.823 -7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.124 13.501 -9.521 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.661 12.757 -9.916 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.822 14.938 -9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.266 15.673 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.144 14.481 -11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.014 16.189 -11.395 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.514 15.729 -10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.429 13.783 -13.264 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.009 13.305 -14.200 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.737 15.069 -12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.962 14.018 -13.618 1.00 0.00 H new ATOM 157 N THR A 11 -16.207 13.837 -6.343 1.00 0.00 N ATOM 158 CA THR A 11 -17.591 13.954 -5.855 1.00 0.00 C ATOM 159 C THR A 11 -18.453 14.908 -6.716 1.00 0.00 C ATOM 160 O THR A 11 -17.943 15.636 -7.579 1.00 0.00 O ATOM 161 CB THR A 11 -17.585 14.484 -4.392 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.091 15.829 -4.384 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.711 13.636 -3.466 1.00 0.00 C ATOM 0 H THR A 11 -15.528 14.345 -5.775 1.00 0.00 H new ATOM 0 HA THR A 11 -18.030 12.958 -5.914 1.00 0.00 H new ATOM 0 HB THR A 11 -18.609 14.435 -4.022 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.161 15.838 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.742 14.049 -2.458 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.084 12.612 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.683 13.642 -3.829 1.00 0.00 H new ATOM 171 N THR A 12 -19.767 14.910 -6.428 1.00 0.00 N ATOM 172 CA THR A 12 -20.713 15.931 -6.921 1.00 0.00 C ATOM 173 C THR A 12 -20.458 17.305 -6.262 1.00 0.00 C ATOM 174 O THR A 12 -20.930 18.334 -6.755 1.00 0.00 O ATOM 175 CB THR A 12 -22.188 15.468 -6.670 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.289 14.851 -5.373 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.680 14.486 -7.745 1.00 0.00 C ATOM 0 H THR A 12 -20.206 14.199 -5.843 1.00 0.00 H new ATOM 0 HA THR A 12 -20.555 16.045 -7.993 1.00 0.00 H new ATOM 0 HB THR A 12 -22.821 16.354 -6.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.149 15.527 -4.677 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.707 14.194 -7.528 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.638 14.966 -8.723 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.044 13.601 -7.748 1.00 0.00 H new ATOM 185 N GLU A 13 -19.682 17.308 -5.157 1.00 0.00 N ATOM 186 CA GLU A 13 -19.331 18.530 -4.410 1.00 0.00 C ATOM 187 C GLU A 13 -18.256 19.339 -5.167 1.00 0.00 C ATOM 188 O GLU A 13 -17.984 20.494 -4.822 1.00 0.00 O ATOM 189 CB GLU A 13 -18.828 18.169 -2.980 1.00 0.00 C ATOM 190 CG GLU A 13 -19.623 17.052 -2.258 1.00 0.00 C ATOM 191 CD GLU A 13 -21.135 17.317 -2.184 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.561 18.149 -1.357 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.905 16.691 -2.950 1.00 0.00 O ATOM 0 H GLU A 13 -19.281 16.459 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.226 19.145 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.784 17.863 -3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.858 19.068 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.454 16.107 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.234 16.937 -1.246 1.00 0.00 H new ATOM 200 N GLY A 14 -17.644 18.717 -6.199 1.00 0.00 N ATOM 201 CA GLY A 14 -16.595 19.348 -7.005 1.00 0.00 C ATOM 202 C GLY A 14 -15.200 18.933 -6.562 1.00 0.00 C ATOM 203 O GLY A 14 -14.255 18.960 -7.361 1.00 0.00 O ATOM 0 H GLY A 14 -17.868 17.765 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.735 19.082 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.689 20.432 -6.936 1.00 0.00 H new ATOM 207 N ARG A 15 -15.070 18.571 -5.269 1.00 0.00 N ATOM 208 CA ARG A 15 -13.803 18.103 -4.679 1.00 0.00 C ATOM 209 C ARG A 15 -13.473 16.682 -5.174 1.00 0.00 C ATOM 210 O ARG A 15 -14.378 15.872 -5.392 1.00 0.00 O ATOM 211 CB ARG A 15 -13.894 18.131 -3.125 1.00 0.00 C ATOM 212 CG ARG A 15 -15.015 17.251 -2.519 1.00 0.00 C ATOM 213 CD ARG A 15 -14.990 17.185 -0.988 1.00 0.00 C ATOM 214 NE ARG A 15 -15.086 18.524 -0.367 1.00 0.00 N ATOM 215 CZ ARG A 15 -15.688 18.811 0.800 1.00 0.00 C ATOM 216 NH1 ARG A 15 -16.398 17.900 1.455 1.00 0.00 N ATOM 217 NH2 ARG A 15 -15.607 20.035 1.291 1.00 0.00 N ATOM 0 H ARG A 15 -15.844 18.596 -4.605 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.002 18.771 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.937 17.808 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.048 19.161 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.982 17.638 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.927 16.241 -2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.816 16.565 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.069 16.701 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 15 -14.656 19.300 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.496 16.959 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.846 18.141 2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.090 20.754 0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.061 20.261 2.176 1.00 0.00 H new ATOM 231 N THR A 16 -12.182 16.398 -5.375 1.00 0.00 N ATOM 232 CA THR A 16 -11.705 15.056 -5.728 1.00 0.00 C ATOM 233 C THR A 16 -11.001 14.437 -4.510 1.00 0.00 C ATOM 234 O THR A 16 -10.067 15.020 -3.956 1.00 0.00 O ATOM 235 CB THR A 16 -10.744 15.100 -6.956 1.00 0.00 C ATOM 236 OG1 THR A 16 -11.396 15.786 -8.029 1.00 0.00 O ATOM 237 CG2 THR A 16 -10.336 13.693 -7.439 1.00 0.00 C ATOM 0 H THR A 16 -11.438 17.092 -5.298 1.00 0.00 H new ATOM 0 HA THR A 16 -12.559 14.440 -6.008 1.00 0.00 H new ATOM 0 HB THR A 16 -9.837 15.618 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.799 15.821 -8.806 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.667 13.782 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.826 13.165 -6.633 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.226 13.136 -7.730 1.00 0.00 H new ATOM 245 N LEU A 17 -11.495 13.273 -4.096 1.00 0.00 N ATOM 246 CA LEU A 17 -10.978 12.511 -2.956 1.00 0.00 C ATOM 247 C LEU A 17 -9.874 11.588 -3.461 1.00 0.00 C ATOM 248 O LEU A 17 -9.801 11.336 -4.659 1.00 0.00 O ATOM 249 CB LEU A 17 -12.138 11.695 -2.334 1.00 0.00 C ATOM 250 CG LEU A 17 -13.368 12.533 -1.863 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.548 11.626 -1.462 1.00 0.00 C ATOM 252 CD2 LEU A 17 -12.993 13.506 -0.721 1.00 0.00 C ATOM 0 H LEU A 17 -12.286 12.820 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.570 13.172 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.478 10.962 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.751 11.138 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.690 13.137 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.387 12.242 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.849 11.022 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.243 10.972 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.875 14.071 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.617 12.939 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.222 14.194 -1.068 1.00 0.00 H new ATOM 264 N THR A 18 -9.006 11.095 -2.572 1.00 0.00 N ATOM 265 CA THR A 18 -7.959 10.126 -2.938 1.00 0.00 C ATOM 266 C THR A 18 -7.734 9.152 -1.762 1.00 0.00 C ATOM 267 O THR A 18 -7.371 9.590 -0.664 1.00 0.00 O ATOM 268 CB THR A 18 -6.604 10.839 -3.301 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.827 11.892 -4.259 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.568 9.854 -3.888 1.00 0.00 C ATOM 0 H THR A 18 -9.006 11.352 -1.585 1.00 0.00 H new ATOM 0 HA THR A 18 -8.294 9.582 -3.821 1.00 0.00 H new ATOM 0 HB THR A 18 -6.210 11.250 -2.372 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.975 12.326 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.649 10.390 -4.124 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.355 9.072 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.968 9.404 -4.796 1.00 0.00 H new ATOM 278 N VAL A 19 -7.990 7.847 -1.987 1.00 0.00 N ATOM 279 CA VAL A 19 -7.759 6.778 -0.982 1.00 0.00 C ATOM 280 C VAL A 19 -7.092 5.561 -1.631 1.00 0.00 C ATOM 281 O VAL A 19 -7.206 5.352 -2.840 1.00 0.00 O ATOM 282 CB VAL A 19 -9.090 6.302 -0.264 1.00 0.00 C ATOM 283 CG1 VAL A 19 -9.604 7.349 0.741 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.191 5.926 -1.295 1.00 0.00 C ATOM 0 H VAL A 19 -8.363 7.500 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.106 7.215 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.843 5.403 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.517 6.984 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.847 7.522 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.813 8.283 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.089 5.604 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.424 6.794 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.833 5.115 -1.930 1.00 0.00 H new ATOM 294 N ASP A 20 -6.418 4.746 -0.802 1.00 0.00 N ATOM 295 CA ASP A 20 -5.856 3.453 -1.229 1.00 0.00 C ATOM 296 C ASP A 20 -6.756 2.336 -0.671 1.00 0.00 C ATOM 297 O ASP A 20 -7.046 2.295 0.529 1.00 0.00 O ATOM 298 CB ASP A 20 -4.364 3.292 -0.800 1.00 0.00 C ATOM 299 CG ASP A 20 -4.138 3.221 0.719 1.00 0.00 C ATOM 300 OD1 ASP A 20 -3.852 2.120 1.246 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.259 4.260 1.393 1.00 0.00 O ATOM 0 H ASP A 20 -6.248 4.964 0.180 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.844 3.396 -2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.964 2.386 -1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.792 4.129 -1.200 1.00 0.00 H new ATOM 306 N VAL A 21 -7.255 1.491 -1.574 1.00 0.00 N ATOM 307 CA VAL A 21 -8.206 0.402 -1.274 1.00 0.00 C ATOM 308 C VAL A 21 -7.737 -0.901 -1.927 1.00 0.00 C ATOM 309 O VAL A 21 -7.043 -0.883 -2.949 1.00 0.00 O ATOM 310 CB VAL A 21 -9.655 0.750 -1.791 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.311 1.872 -0.949 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.615 1.121 -3.298 1.00 0.00 C ATOM 0 H VAL A 21 -7.007 1.540 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.242 0.281 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.277 -0.137 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.308 2.083 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.386 1.551 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.701 2.774 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.622 1.359 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.969 1.987 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.226 0.278 -3.870 1.00 0.00 H new ATOM 322 N LYS A 22 -8.147 -2.022 -1.338 1.00 0.00 N ATOM 323 CA LYS A 22 -7.776 -3.359 -1.812 1.00 0.00 C ATOM 324 C LYS A 22 -8.647 -3.739 -3.036 1.00 0.00 C ATOM 325 O LYS A 22 -9.849 -3.494 -3.014 1.00 0.00 O ATOM 326 CB LYS A 22 -7.955 -4.367 -0.642 1.00 0.00 C ATOM 327 CG LYS A 22 -7.231 -3.935 0.664 1.00 0.00 C ATOM 328 CD LYS A 22 -7.380 -4.927 1.847 1.00 0.00 C ATOM 329 CE LYS A 22 -6.537 -6.222 1.713 1.00 0.00 C ATOM 330 NZ LYS A 22 -6.995 -7.122 0.612 1.00 0.00 N ATOM 0 H LYS A 22 -8.749 -2.032 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.734 -3.379 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.019 -4.487 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.578 -5.342 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.170 -3.804 0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.616 -2.963 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.097 -4.418 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.430 -5.201 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.495 -5.951 1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.572 -6.768 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.959 -8.110 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.971 -6.879 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.374 -7.004 -0.214 1.00 0.00 H new ATOM 344 N PRO A 23 -8.059 -4.326 -4.129 1.00 0.00 N ATOM 345 CA PRO A 23 -8.824 -4.713 -5.352 1.00 0.00 C ATOM 346 C PRO A 23 -9.793 -5.894 -5.109 1.00 0.00 C ATOM 347 O PRO A 23 -10.637 -6.198 -5.965 1.00 0.00 O ATOM 348 CB PRO A 23 -7.715 -5.076 -6.367 1.00 0.00 C ATOM 349 CG PRO A 23 -6.555 -5.502 -5.517 1.00 0.00 C ATOM 350 CD PRO A 23 -6.617 -4.643 -4.270 1.00 0.00 C ATOM 0 HA PRO A 23 -9.477 -3.912 -5.698 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.034 -5.877 -7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.456 -4.223 -6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.623 -6.561 -5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.611 -5.359 -6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.238 -5.176 -3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.017 -3.739 -4.377 1.00 0.00 H new ATOM 358 N ASP A 24 -9.661 -6.540 -3.931 1.00 0.00 N ATOM 359 CA ASP A 24 -10.560 -7.620 -3.474 1.00 0.00 C ATOM 360 C ASP A 24 -11.947 -7.058 -3.081 1.00 0.00 C ATOM 361 O ASP A 24 -12.941 -7.798 -3.026 1.00 0.00 O ATOM 362 CB ASP A 24 -9.945 -8.337 -2.236 1.00 0.00 C ATOM 363 CG ASP A 24 -8.492 -8.798 -2.431 1.00 0.00 C ATOM 364 OD1 ASP A 24 -8.262 -9.970 -2.814 1.00 0.00 O ATOM 365 OD2 ASP A 24 -7.564 -7.977 -2.218 1.00 0.00 O ATOM 0 H ASP A 24 -8.920 -6.324 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.679 -8.325 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.988 -7.662 -1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.559 -9.203 -1.990 1.00 0.00 H new ATOM 370 N ARG A 25 -11.985 -5.735 -2.810 1.00 0.00 N ATOM 371 CA ARG A 25 -13.158 -5.040 -2.252 1.00 0.00 C ATOM 372 C ARG A 25 -14.287 -4.909 -3.289 1.00 0.00 C ATOM 373 O ARG A 25 -14.060 -5.057 -4.488 1.00 0.00 O ATOM 374 CB ARG A 25 -12.741 -3.635 -1.729 1.00 0.00 C ATOM 375 CG ARG A 25 -11.774 -3.645 -0.523 1.00 0.00 C ATOM 376 CD ARG A 25 -12.371 -4.314 0.719 1.00 0.00 C ATOM 377 NE ARG A 25 -11.430 -4.339 1.849 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.778 -4.268 3.143 1.00 0.00 C ATOM 379 NH1 ARG A 25 -13.043 -4.073 3.504 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.853 -4.382 4.080 1.00 0.00 N ATOM 0 H ARG A 25 -11.191 -5.116 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.540 -5.637 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.273 -3.085 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.641 -3.087 -1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.858 -4.165 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.497 -2.620 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.276 -3.783 1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.666 -5.334 0.473 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.436 -4.416 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.767 -3.975 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.289 -4.022 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.877 -4.524 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.115 -4.328 5.064 1.00 0.00 H new ATOM 394 N THR A 26 -15.506 -4.656 -2.793 1.00 0.00 N ATOM 395 CA THR A 26 -16.662 -4.294 -3.622 1.00 0.00 C ATOM 396 C THR A 26 -16.714 -2.775 -3.803 1.00 0.00 C ATOM 397 O THR A 26 -16.030 -2.025 -3.090 1.00 0.00 O ATOM 398 CB THR A 26 -18.011 -4.804 -3.003 1.00 0.00 C ATOM 399 OG1 THR A 26 -18.092 -4.440 -1.622 1.00 0.00 O ATOM 400 CG2 THR A 26 -18.173 -6.323 -3.146 1.00 0.00 C ATOM 0 H THR A 26 -15.718 -4.697 -1.796 1.00 0.00 H new ATOM 0 HA THR A 26 -16.540 -4.779 -4.591 1.00 0.00 H new ATOM 0 HB THR A 26 -18.820 -4.328 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.855 -4.894 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 26 -19.120 -6.631 -2.704 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.161 -6.592 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.353 -6.826 -2.634 1.00 0.00 H new ATOM 408 N ILE A 27 -17.513 -2.323 -4.782 1.00 0.00 N ATOM 409 CA ILE A 27 -17.715 -0.895 -5.044 1.00 0.00 C ATOM 410 C ILE A 27 -18.440 -0.261 -3.829 1.00 0.00 C ATOM 411 O ILE A 27 -18.217 0.902 -3.529 1.00 0.00 O ATOM 412 CB ILE A 27 -18.496 -0.658 -6.396 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.764 -1.332 -7.611 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.748 0.850 -6.668 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.365 -0.817 -7.911 1.00 0.00 C ATOM 0 H ILE A 27 -18.033 -2.936 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.748 -0.408 -5.169 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.469 -1.136 -6.283 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.704 -2.404 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.379 -1.197 -8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.288 0.965 -7.608 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.340 1.272 -5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.794 1.373 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.956 -1.352 -8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.410 0.248 -8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.725 -0.977 -7.044 1.00 0.00 H new ATOM 427 N GLU A 28 -19.270 -1.081 -3.115 1.00 0.00 N ATOM 428 CA GLU A 28 -19.858 -0.736 -1.787 1.00 0.00 C ATOM 429 C GLU A 28 -18.805 -0.146 -0.829 1.00 0.00 C ATOM 430 O GLU A 28 -19.055 0.876 -0.193 1.00 0.00 O ATOM 431 CB GLU A 28 -20.491 -2.001 -1.118 1.00 0.00 C ATOM 432 CG GLU A 28 -21.891 -2.412 -1.632 1.00 0.00 C ATOM 433 CD GLU A 28 -23.040 -1.485 -1.179 1.00 0.00 C ATOM 434 OE1 GLU A 28 -22.967 -0.905 -0.074 1.00 0.00 O ATOM 435 OE2 GLU A 28 -24.047 -1.385 -1.901 1.00 0.00 O ATOM 0 H GLU A 28 -19.549 -2.003 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.627 0.015 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.812 -2.842 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.557 -1.825 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -21.870 -2.438 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -22.105 -3.426 -1.293 1.00 0.00 H new ATOM 442 N GLU A 29 -17.634 -0.811 -0.761 1.00 0.00 N ATOM 443 CA GLU A 29 -16.522 -0.426 0.130 1.00 0.00 C ATOM 444 C GLU A 29 -16.005 0.972 -0.242 1.00 0.00 C ATOM 445 O GLU A 29 -15.691 1.768 0.633 1.00 0.00 O ATOM 446 CB GLU A 29 -15.368 -1.462 0.041 1.00 0.00 C ATOM 447 CG GLU A 29 -15.793 -2.939 0.153 1.00 0.00 C ATOM 448 CD GLU A 29 -16.459 -3.317 1.483 1.00 0.00 C ATOM 449 OE1 GLU A 29 -15.746 -3.398 2.506 1.00 0.00 O ATOM 450 OE2 GLU A 29 -17.685 -3.577 1.500 1.00 0.00 O ATOM 0 H GLU A 29 -17.433 -1.636 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.892 -0.406 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.850 -1.322 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.649 -1.248 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.482 -3.167 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.914 -3.567 0.011 1.00 0.00 H new ATOM 457 N LEU A 30 -15.953 1.251 -1.563 1.00 0.00 N ATOM 458 CA LEU A 30 -15.554 2.573 -2.093 1.00 0.00 C ATOM 459 C LEU A 30 -16.559 3.638 -1.661 1.00 0.00 C ATOM 460 O LEU A 30 -16.179 4.727 -1.246 1.00 0.00 O ATOM 461 CB LEU A 30 -15.474 2.562 -3.643 1.00 0.00 C ATOM 462 CG LEU A 30 -14.565 1.474 -4.278 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.505 1.609 -5.817 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.161 1.488 -3.651 1.00 0.00 C ATOM 0 H LEU A 30 -16.185 0.571 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.567 2.802 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.483 2.437 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.121 3.539 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.012 0.504 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.860 0.831 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.508 1.503 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.105 2.588 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.547 0.716 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.701 2.463 -3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.238 1.295 -2.581 1.00 0.00 H new ATOM 476 N MET A 31 -17.847 3.272 -1.774 1.00 0.00 N ATOM 477 CA MET A 31 -18.983 4.132 -1.440 1.00 0.00 C ATOM 478 C MET A 31 -18.999 4.458 0.070 1.00 0.00 C ATOM 479 O MET A 31 -19.488 5.514 0.472 1.00 0.00 O ATOM 480 CB MET A 31 -20.305 3.480 -1.932 1.00 0.00 C ATOM 481 CG MET A 31 -20.319 3.127 -3.435 1.00 0.00 C ATOM 482 SD MET A 31 -21.967 2.920 -4.143 1.00 0.00 S ATOM 483 CE MET A 31 -22.358 4.604 -4.614 1.00 0.00 C ATOM 0 H MET A 31 -18.128 2.350 -2.107 1.00 0.00 H new ATOM 0 HA MET A 31 -18.881 5.086 -1.958 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.485 2.572 -1.356 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.131 4.159 -1.723 1.00 0.00 H new ATOM 0 HG2 MET A 31 -19.798 3.911 -3.984 1.00 0.00 H new ATOM 0 HG3 MET A 31 -19.756 2.206 -3.584 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.440 4.737 -4.625 1.00 0.00 H new ATOM 0 HE2 MET A 31 -21.915 5.295 -3.896 1.00 0.00 H new ATOM 0 HE3 MET A 31 -21.957 4.806 -5.607 1.00 0.00 H new ATOM 493 N GLU A 32 -18.412 3.556 0.882 1.00 0.00 N ATOM 494 CA GLU A 32 -18.203 3.782 2.324 1.00 0.00 C ATOM 495 C GLU A 32 -17.077 4.804 2.563 1.00 0.00 C ATOM 496 O GLU A 32 -17.203 5.673 3.432 1.00 0.00 O ATOM 497 CB GLU A 32 -17.862 2.452 3.035 1.00 0.00 C ATOM 498 CG GLU A 32 -18.976 1.389 2.965 1.00 0.00 C ATOM 499 CD GLU A 32 -18.680 0.134 3.797 1.00 0.00 C ATOM 500 OE1 GLU A 32 -19.355 -0.091 4.825 1.00 0.00 O ATOM 501 OE2 GLU A 32 -17.765 -0.633 3.435 1.00 0.00 O ATOM 0 H GLU A 32 -18.070 2.652 0.556 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.129 4.181 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -16.955 2.040 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.640 2.660 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -19.911 1.831 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.125 1.099 1.925 1.00 0.00 H new ATOM 508 N LYS A 33 -15.973 4.672 1.789 1.00 0.00 N ATOM 509 CA LYS A 33 -14.801 5.567 1.910 1.00 0.00 C ATOM 510 C LYS A 33 -15.214 7.014 1.596 1.00 0.00 C ATOM 511 O LYS A 33 -15.111 7.878 2.448 1.00 0.00 O ATOM 512 CB LYS A 33 -13.606 5.130 0.990 1.00 0.00 C ATOM 513 CG LYS A 33 -13.198 3.643 1.081 1.00 0.00 C ATOM 514 CD LYS A 33 -13.112 3.126 2.534 1.00 0.00 C ATOM 515 CE LYS A 33 -12.697 1.653 2.608 1.00 0.00 C ATOM 516 NZ LYS A 33 -12.760 1.137 4.001 1.00 0.00 N ATOM 0 H LYS A 33 -15.872 3.952 1.073 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.447 5.498 2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.868 5.353 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.738 5.741 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.919 3.040 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.232 3.507 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.395 3.731 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.080 3.253 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.349 1.058 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.684 1.540 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.473 0.138 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.119 1.690 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.733 1.222 4.359 1.00 0.00 H new ATOM 530 N LEU A 34 -15.746 7.240 0.384 1.00 0.00 N ATOM 531 CA LEU A 34 -16.186 8.575 -0.072 1.00 0.00 C ATOM 532 C LEU A 34 -17.280 9.162 0.845 1.00 0.00 C ATOM 533 O LEU A 34 -17.337 10.378 1.025 1.00 0.00 O ATOM 534 CB LEU A 34 -16.616 8.518 -1.575 1.00 0.00 C ATOM 535 CG LEU A 34 -17.746 7.494 -1.962 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.175 8.067 -1.793 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.543 6.923 -3.386 1.00 0.00 C ATOM 0 H LEU A 34 -15.885 6.505 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.343 9.263 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.947 9.514 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.733 8.287 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.654 6.673 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.906 7.310 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.332 8.352 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.293 8.943 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.344 6.220 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.558 7.738 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.584 6.408 -3.438 1.00 0.00 H new ATOM 549 N LYS A 35 -18.112 8.287 1.449 1.00 0.00 N ATOM 550 CA LYS A 35 -19.121 8.697 2.449 1.00 0.00 C ATOM 551 C LYS A 35 -18.461 9.366 3.676 1.00 0.00 C ATOM 552 O LYS A 35 -18.858 10.457 4.064 1.00 0.00 O ATOM 553 CB LYS A 35 -19.974 7.476 2.889 1.00 0.00 C ATOM 554 CG LYS A 35 -20.917 7.713 4.097 1.00 0.00 C ATOM 555 CD LYS A 35 -21.933 8.851 3.864 1.00 0.00 C ATOM 556 CE LYS A 35 -22.749 9.185 5.114 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.696 10.297 4.855 1.00 0.00 N ATOM 0 H LYS A 35 -18.104 7.285 1.259 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.775 9.433 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.576 7.152 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.300 6.655 3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.457 6.791 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.317 7.945 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.402 9.744 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.611 8.567 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.300 8.302 5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.077 9.458 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.175 10.558 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.175 11.119 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.403 9.995 4.155 1.00 0.00 H new ATOM 571 N GLU A 36 -17.464 8.703 4.281 1.00 0.00 N ATOM 572 CA GLU A 36 -16.803 9.218 5.504 1.00 0.00 C ATOM 573 C GLU A 36 -15.867 10.408 5.183 1.00 0.00 C ATOM 574 O GLU A 36 -15.620 11.249 6.053 1.00 0.00 O ATOM 575 CB GLU A 36 -16.041 8.086 6.252 1.00 0.00 C ATOM 576 CG GLU A 36 -14.937 7.400 5.430 1.00 0.00 C ATOM 577 CD GLU A 36 -14.176 6.304 6.189 1.00 0.00 C ATOM 578 OE1 GLU A 36 -13.068 6.578 6.704 1.00 0.00 O ATOM 579 OE2 GLU A 36 -14.678 5.162 6.276 1.00 0.00 O ATOM 0 H GLU A 36 -17.094 7.812 3.950 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.584 9.587 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.596 8.502 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.760 7.331 6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.383 6.964 4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.226 8.155 5.096 1.00 0.00 H new ATOM 586 N GLN A 37 -15.373 10.478 3.920 1.00 0.00 N ATOM 587 CA GLN A 37 -14.458 11.549 3.467 1.00 0.00 C ATOM 588 C GLN A 37 -15.170 12.911 3.346 1.00 0.00 C ATOM 589 O GLN A 37 -14.749 13.892 3.967 1.00 0.00 O ATOM 590 CB GLN A 37 -13.809 11.188 2.107 1.00 0.00 C ATOM 591 CG GLN A 37 -12.890 9.963 2.135 1.00 0.00 C ATOM 592 CD GLN A 37 -12.200 9.700 0.800 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.044 10.312 0.601 1.00 0.00 O flip ATOM 594 NE2 GLN A 37 -12.706 8.968 -0.053 1.00 0.00 N flip ATOM 0 H GLN A 37 -15.598 9.797 3.194 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.683 11.635 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.601 11.013 1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.236 12.046 1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.133 10.102 2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.473 9.086 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.599 8.511 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.232 8.819 -0.944 1.00 0.00 H new ATOM 603 N THR A 38 -16.242 12.963 2.536 1.00 0.00 N ATOM 604 CA THR A 38 -16.931 14.235 2.191 1.00 0.00 C ATOM 605 C THR A 38 -18.294 14.364 2.906 1.00 0.00 C ATOM 606 O THR A 38 -18.801 15.480 3.072 1.00 0.00 O ATOM 607 CB THR A 38 -17.098 14.386 0.635 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.708 15.645 0.299 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.917 13.249 0.026 1.00 0.00 C ATOM 0 H THR A 38 -16.657 12.138 2.102 1.00 0.00 H new ATOM 0 HA THR A 38 -16.298 15.049 2.546 1.00 0.00 H new ATOM 0 HB THR A 38 -16.093 14.345 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.678 15.583 0.428 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.004 13.399 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.421 12.298 0.221 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.911 13.237 0.472 1.00 0.00 H new ATOM 617 N GLY A 39 -18.883 13.223 3.323 1.00 0.00 N ATOM 618 CA GLY A 39 -20.143 13.220 4.088 1.00 0.00 C ATOM 619 C GLY A 39 -21.385 12.944 3.254 1.00 0.00 C ATOM 620 O GLY A 39 -22.478 12.774 3.811 1.00 0.00 O ATOM 0 H GLY A 39 -18.504 12.293 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.074 12.469 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.258 14.186 4.579 1.00 0.00 H new ATOM 624 N VAL A 40 -21.229 12.885 1.921 1.00 0.00 N ATOM 625 CA VAL A 40 -22.360 12.719 0.990 1.00 0.00 C ATOM 626 C VAL A 40 -22.872 11.243 1.018 1.00 0.00 C ATOM 627 O VAL A 40 -22.056 10.314 0.951 1.00 0.00 O ATOM 628 CB VAL A 40 -21.971 13.206 -0.476 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.069 12.200 -1.232 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.221 13.583 -1.305 1.00 0.00 C ATOM 0 H VAL A 40 -20.322 12.950 1.460 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.184 13.353 1.316 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.375 14.109 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.840 12.590 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.142 12.054 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.589 11.247 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -22.914 13.910 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.874 12.715 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.758 14.391 -0.807 1.00 0.00 H new ATOM 640 N PRO A 41 -24.226 10.996 1.192 1.00 0.00 N ATOM 641 CA PRO A 41 -24.799 9.626 1.250 1.00 0.00 C ATOM 642 C PRO A 41 -24.665 8.896 -0.113 1.00 0.00 C ATOM 643 O PRO A 41 -25.171 9.395 -1.116 1.00 0.00 O ATOM 644 CB PRO A 41 -26.288 9.866 1.637 1.00 0.00 C ATOM 645 CG PRO A 41 -26.582 11.260 1.172 1.00 0.00 C ATOM 646 CD PRO A 41 -25.290 12.028 1.371 1.00 0.00 C ATOM 0 HA PRO A 41 -24.283 8.981 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.944 9.141 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.439 9.767 2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.888 11.269 0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.396 11.703 1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.189 12.835 0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.244 12.482 2.361 1.00 0.00 H new ATOM 654 N PRO A 42 -23.970 7.713 -0.168 1.00 0.00 N ATOM 655 CA PRO A 42 -23.674 7.009 -1.445 1.00 0.00 C ATOM 656 C PRO A 42 -24.928 6.466 -2.173 1.00 0.00 C ATOM 657 O PRO A 42 -24.848 6.133 -3.355 1.00 0.00 O ATOM 658 CB PRO A 42 -22.735 5.866 -1.004 1.00 0.00 C ATOM 659 CG PRO A 42 -23.085 5.614 0.428 1.00 0.00 C ATOM 660 CD PRO A 42 -23.407 6.972 0.996 1.00 0.00 C ATOM 0 HA PRO A 42 -23.237 7.684 -2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -22.886 4.973 -1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.688 6.151 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -23.936 4.939 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.255 5.150 0.961 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.124 6.905 1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.518 7.462 1.392 1.00 0.00 H new ATOM 668 N GLU A 43 -26.076 6.385 -1.467 1.00 0.00 N ATOM 669 CA GLU A 43 -27.379 6.002 -2.081 1.00 0.00 C ATOM 670 C GLU A 43 -27.814 7.047 -3.134 1.00 0.00 C ATOM 671 O GLU A 43 -28.513 6.731 -4.107 1.00 0.00 O ATOM 672 CB GLU A 43 -28.470 5.845 -0.982 1.00 0.00 C ATOM 673 CG GLU A 43 -28.789 7.129 -0.183 1.00 0.00 C ATOM 674 CD GLU A 43 -29.781 6.884 0.967 1.00 0.00 C ATOM 675 OE1 GLU A 43 -29.335 6.584 2.094 1.00 0.00 O ATOM 676 OE2 GLU A 43 -31.009 6.967 0.741 1.00 0.00 O ATOM 0 H GLU A 43 -26.133 6.579 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.254 5.043 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.388 5.491 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.151 5.072 -0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.864 7.539 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -29.201 7.879 -0.858 1.00 0.00 H new ATOM 683 N GLN A 44 -27.359 8.287 -2.917 1.00 0.00 N ATOM 684 CA GLN A 44 -27.639 9.451 -3.769 1.00 0.00 C ATOM 685 C GLN A 44 -26.662 9.517 -4.971 1.00 0.00 C ATOM 686 O GLN A 44 -26.837 10.340 -5.875 1.00 0.00 O ATOM 687 CB GLN A 44 -27.522 10.722 -2.876 1.00 0.00 C ATOM 688 CG GLN A 44 -27.835 12.079 -3.552 1.00 0.00 C ATOM 689 CD GLN A 44 -27.550 13.289 -2.657 1.00 0.00 C ATOM 690 OE1 GLN A 44 -26.497 13.213 -1.846 1.00 0.00 O flip ATOM 691 NE2 GLN A 44 -28.244 14.307 -2.729 1.00 0.00 N flip ATOM 0 H GLN A 44 -26.767 8.516 -2.119 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.641 9.377 -4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.193 10.603 -2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -26.508 10.766 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -27.245 12.166 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -28.884 12.095 -3.848 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -29.045 14.335 -3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -28.017 15.121 -2.157 1.00 0.00 H new ATOM 700 N LEU A 45 -25.634 8.635 -4.986 1.00 0.00 N ATOM 701 CA LEU A 45 -24.542 8.669 -5.989 1.00 0.00 C ATOM 702 C LEU A 45 -24.399 7.339 -6.749 1.00 0.00 C ATOM 703 O LEU A 45 -25.009 6.319 -6.408 1.00 0.00 O ATOM 704 CB LEU A 45 -23.165 9.037 -5.339 1.00 0.00 C ATOM 705 CG LEU A 45 -22.984 10.507 -4.826 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.446 11.533 -5.879 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.672 10.730 -3.475 1.00 0.00 C ATOM 0 H LEU A 45 -25.538 7.882 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.823 9.446 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.997 8.363 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.382 8.836 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 45 -21.917 10.663 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.306 12.542 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.858 11.410 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.501 11.374 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.522 11.761 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.739 10.532 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.245 10.055 -2.733 1.00 0.00 H new ATOM 719 N ARG A 46 -23.572 7.422 -7.806 1.00 0.00 N ATOM 720 CA ARG A 46 -23.140 6.314 -8.663 1.00 0.00 C ATOM 721 C ARG A 46 -21.643 6.514 -8.938 1.00 0.00 C ATOM 722 O ARG A 46 -21.252 7.574 -9.451 1.00 0.00 O ATOM 723 CB ARG A 46 -23.917 6.324 -10.014 1.00 0.00 C ATOM 724 CG ARG A 46 -25.440 6.120 -9.892 1.00 0.00 C ATOM 725 CD ARG A 46 -26.171 6.225 -11.236 1.00 0.00 C ATOM 726 NE ARG A 46 -27.528 5.667 -11.164 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.283 5.305 -12.223 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.823 5.414 -13.466 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.480 4.795 -12.031 1.00 0.00 N ATOM 0 H ARG A 46 -23.168 8.312 -8.097 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.334 5.361 -8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.732 7.274 -10.515 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.511 5.541 -10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.635 5.141 -9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.846 6.863 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -26.224 7.270 -11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.602 5.698 -12.002 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.934 5.543 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.884 5.776 -13.632 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.409 5.135 -14.253 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.837 4.674 -11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.052 4.521 -12.830 1.00 0.00 H new ATOM 743 N VAL A 47 -20.813 5.520 -8.583 1.00 0.00 N ATOM 744 CA VAL A 47 -19.359 5.592 -8.820 1.00 0.00 C ATOM 745 C VAL A 47 -19.081 5.320 -10.309 1.00 0.00 C ATOM 746 O VAL A 47 -19.708 4.443 -10.898 1.00 0.00 O ATOM 747 CB VAL A 47 -18.567 4.583 -7.907 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.048 4.751 -8.083 1.00 0.00 C ATOM 749 CG2 VAL A 47 -18.960 4.751 -6.424 1.00 0.00 C ATOM 0 H VAL A 47 -21.121 4.659 -8.132 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.011 6.591 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 47 -18.837 3.574 -8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.527 4.042 -7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.779 4.564 -9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.760 5.766 -7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.398 4.042 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.733 5.767 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.027 4.563 -6.307 1.00 0.00 H new ATOM 759 N ILE A 48 -18.167 6.102 -10.917 1.00 0.00 N ATOM 760 CA ILE A 48 -17.925 6.091 -12.379 1.00 0.00 C ATOM 761 C ILE A 48 -16.416 5.958 -12.686 1.00 0.00 C ATOM 762 O ILE A 48 -15.666 6.914 -12.512 1.00 0.00 O ATOM 763 CB ILE A 48 -18.475 7.413 -13.059 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.001 7.627 -12.777 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.189 7.445 -14.582 1.00 0.00 C ATOM 766 CD1 ILE A 48 -20.935 6.582 -13.352 1.00 0.00 C ATOM 0 H ILE A 48 -17.574 6.760 -10.411 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.456 5.231 -12.788 1.00 0.00 H new ATOM 0 HB ILE A 48 -17.933 8.241 -12.602 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.149 7.664 -11.698 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.290 8.601 -13.172 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -18.583 8.368 -15.007 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.113 7.398 -14.751 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -18.669 6.591 -15.060 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -21.964 6.832 -13.094 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -20.829 6.556 -14.436 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -20.685 5.604 -12.939 1.00 0.00 H new ATOM 778 N TYR A 49 -15.992 4.779 -13.170 1.00 0.00 N ATOM 779 CA TYR A 49 -14.588 4.519 -13.561 1.00 0.00 C ATOM 780 C TYR A 49 -14.402 4.838 -15.041 1.00 0.00 C ATOM 781 O TYR A 49 -14.885 4.090 -15.895 1.00 0.00 O ATOM 782 CB TYR A 49 -14.195 3.042 -13.286 1.00 0.00 C ATOM 783 CG TYR A 49 -12.859 2.567 -13.907 1.00 0.00 C ATOM 784 CD1 TYR A 49 -12.833 1.705 -15.014 1.00 0.00 C ATOM 785 CD2 TYR A 49 -11.636 2.976 -13.388 1.00 0.00 C ATOM 786 CE1 TYR A 49 -11.641 1.274 -15.560 1.00 0.00 C ATOM 787 CE2 TYR A 49 -10.448 2.545 -13.936 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.453 1.698 -15.018 1.00 0.00 C ATOM 789 OH TYR A 49 -9.262 1.264 -15.552 1.00 0.00 O ATOM 0 H TYR A 49 -16.608 3.977 -13.303 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.940 5.159 -12.963 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.143 2.896 -12.207 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -14.994 2.400 -13.657 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.765 1.372 -15.447 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.617 3.644 -12.540 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.643 0.607 -16.409 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.510 2.874 -13.514 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.907 0.531 -15.007 1.00 0.00 H new ATOM 799 N ASN A 50 -13.726 5.961 -15.323 1.00 0.00 N ATOM 800 CA ASN A 50 -13.279 6.326 -16.681 1.00 0.00 C ATOM 801 C ASN A 50 -14.481 6.436 -17.678 1.00 0.00 C ATOM 802 O ASN A 50 -14.329 6.259 -18.893 1.00 0.00 O ATOM 803 CB ASN A 50 -12.190 5.305 -17.158 1.00 0.00 C ATOM 804 CG ASN A 50 -11.363 5.764 -18.363 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.184 6.959 -18.602 1.00 0.00 O ATOM 806 ND2 ASN A 50 -10.845 4.815 -19.119 1.00 0.00 N ATOM 0 H ASN A 50 -13.471 6.648 -14.613 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.829 7.318 -16.656 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.514 5.102 -16.327 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.679 4.364 -17.408 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.277 5.062 -19.929 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.013 3.835 -18.893 1.00 0.00 H new ATOM 813 N GLY A 51 -15.674 6.773 -17.136 1.00 0.00 N ATOM 814 CA GLY A 51 -16.910 6.918 -17.931 1.00 0.00 C ATOM 815 C GLY A 51 -17.906 5.769 -17.745 1.00 0.00 C ATOM 816 O GLY A 51 -19.080 5.907 -18.106 1.00 0.00 O ATOM 0 H GLY A 51 -15.804 6.951 -16.140 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.397 7.855 -17.660 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.645 6.989 -18.986 1.00 0.00 H new ATOM 820 N ARG A 52 -17.449 4.652 -17.163 1.00 0.00 N ATOM 821 CA ARG A 52 -18.270 3.439 -16.960 1.00 0.00 C ATOM 822 C ARG A 52 -18.942 3.481 -15.584 1.00 0.00 C ATOM 823 O ARG A 52 -18.293 3.836 -14.599 1.00 0.00 O ATOM 824 CB ARG A 52 -17.395 2.166 -17.087 1.00 0.00 C ATOM 825 CG ARG A 52 -18.142 0.841 -16.805 1.00 0.00 C ATOM 826 CD ARG A 52 -17.316 -0.397 -17.162 1.00 0.00 C ATOM 827 NE ARG A 52 -18.125 -1.619 -17.074 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.648 -2.872 -17.156 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.341 -3.116 -17.216 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.487 -3.887 -17.139 1.00 0.00 N ATOM 0 H ARG A 52 -16.494 4.559 -16.816 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.042 3.409 -17.729 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.979 2.126 -18.094 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.555 2.248 -16.397 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.412 0.800 -15.750 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.072 0.827 -17.373 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.918 -0.293 -18.171 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.462 -0.474 -16.489 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.130 -1.508 -16.940 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.677 -2.342 -17.200 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.004 -4.077 -17.278 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.490 -3.718 -17.064 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.134 -4.842 -17.201 1.00 0.00 H new ATOM 844 N GLU A 53 -20.237 3.105 -15.521 1.00 0.00 N ATOM 845 CA GLU A 53 -20.985 3.077 -14.257 1.00 0.00 C ATOM 846 C GLU A 53 -20.663 1.800 -13.475 1.00 0.00 C ATOM 847 O GLU A 53 -20.651 0.700 -14.036 1.00 0.00 O ATOM 848 CB GLU A 53 -22.505 3.191 -14.498 1.00 0.00 C ATOM 849 CG GLU A 53 -23.315 3.541 -13.227 1.00 0.00 C ATOM 850 CD GLU A 53 -24.783 3.841 -13.526 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.059 4.862 -14.194 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.664 3.081 -13.088 1.00 0.00 O ATOM 0 H GLU A 53 -20.782 2.817 -16.334 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.676 3.940 -13.667 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.687 3.954 -15.255 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.871 2.247 -14.902 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.254 2.711 -12.523 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.864 4.406 -12.740 1.00 0.00 H new ATOM 859 N LEU A 54 -20.392 1.961 -12.177 1.00 0.00 N ATOM 860 CA LEU A 54 -19.970 0.866 -11.305 1.00 0.00 C ATOM 861 C LEU A 54 -21.106 0.490 -10.355 1.00 0.00 C ATOM 862 O LEU A 54 -21.465 1.276 -9.459 1.00 0.00 O ATOM 863 CB LEU A 54 -18.697 1.251 -10.500 1.00 0.00 C ATOM 864 CG LEU A 54 -17.525 1.906 -11.306 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.274 2.054 -10.432 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.223 1.146 -12.616 1.00 0.00 C ATOM 0 H LEU A 54 -20.460 2.860 -11.701 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.725 0.005 -11.928 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -18.991 1.939 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.316 0.352 -10.016 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.848 2.906 -11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.475 2.511 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.503 2.685 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.954 1.071 -10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.403 1.637 -13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.942 0.119 -12.384 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.110 1.145 -13.249 1.00 0.00 H new ATOM 878 N GLU A 55 -21.676 -0.699 -10.581 1.00 0.00 N ATOM 879 CA GLU A 55 -22.668 -1.304 -9.697 1.00 0.00 C ATOM 880 C GLU A 55 -22.022 -1.610 -8.327 1.00 0.00 C ATOM 881 O GLU A 55 -20.986 -2.289 -8.291 1.00 0.00 O ATOM 882 CB GLU A 55 -23.207 -2.601 -10.343 1.00 0.00 C ATOM 883 CG GLU A 55 -23.999 -2.390 -11.649 1.00 0.00 C ATOM 884 CD GLU A 55 -25.384 -1.778 -11.396 1.00 0.00 C ATOM 885 OE1 GLU A 55 -26.315 -2.530 -11.000 1.00 0.00 O ATOM 886 OE2 GLU A 55 -25.553 -0.552 -11.568 1.00 0.00 O ATOM 0 H GLU A 55 -21.455 -1.273 -11.395 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.498 -0.614 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.367 -3.265 -10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.848 -3.110 -9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.432 -1.739 -12.314 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.114 -3.346 -12.160 1.00 0.00 H new ATOM 893 N PRO A 56 -22.623 -1.127 -7.189 1.00 0.00 N ATOM 894 CA PRO A 56 -22.040 -1.279 -5.828 1.00 0.00 C ATOM 895 C PRO A 56 -21.876 -2.763 -5.406 1.00 0.00 C ATOM 896 O PRO A 56 -20.970 -3.108 -4.634 1.00 0.00 O ATOM 897 CB PRO A 56 -23.019 -0.484 -4.915 1.00 0.00 C ATOM 898 CG PRO A 56 -24.302 -0.395 -5.688 1.00 0.00 C ATOM 899 CD PRO A 56 -23.908 -0.378 -7.153 1.00 0.00 C ATOM 0 HA PRO A 56 -21.021 -0.896 -5.766 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.169 -0.993 -3.963 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.627 0.508 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.950 -1.244 -5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -24.856 0.506 -5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.665 -0.855 -7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.787 0.640 -7.522 1.00 0.00 H new ATOM 907 N ARG A 57 -22.723 -3.623 -5.991 1.00 0.00 N ATOM 908 CA ARG A 57 -22.753 -5.080 -5.738 1.00 0.00 C ATOM 909 C ARG A 57 -21.463 -5.786 -6.222 1.00 0.00 C ATOM 910 O ARG A 57 -21.064 -6.826 -5.681 1.00 0.00 O ATOM 911 CB ARG A 57 -23.998 -5.672 -6.460 1.00 0.00 C ATOM 912 CG ARG A 57 -23.936 -5.638 -8.021 1.00 0.00 C ATOM 913 CD ARG A 57 -25.276 -5.298 -8.694 1.00 0.00 C ATOM 914 NE ARG A 57 -26.359 -6.233 -8.342 1.00 0.00 N ATOM 915 CZ ARG A 57 -27.626 -6.136 -8.778 1.00 0.00 C ATOM 916 NH1 ARG A 57 -28.007 -5.140 -9.580 1.00 0.00 N ATOM 917 NH2 ARG A 57 -28.517 -7.032 -8.394 1.00 0.00 N ATOM 0 H ARG A 57 -23.424 -3.323 -6.669 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.814 -5.249 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -24.128 -6.706 -6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.882 -5.124 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.191 -4.905 -8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -23.596 -6.609 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.571 -4.288 -8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.142 -5.299 -9.776 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.130 -7.010 -7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.331 -4.434 -9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -28.974 -5.084 -9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -28.241 -7.791 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -29.481 -6.965 -8.721 1.00 0.00 H new ATOM 931 N THR A 58 -20.818 -5.189 -7.235 1.00 0.00 N ATOM 932 CA THR A 58 -19.678 -5.784 -7.958 1.00 0.00 C ATOM 933 C THR A 58 -18.339 -5.421 -7.278 1.00 0.00 C ATOM 934 O THR A 58 -18.279 -4.448 -6.531 1.00 0.00 O ATOM 935 CB THR A 58 -19.679 -5.269 -9.430 1.00 0.00 C ATOM 936 OG1 THR A 58 -21.014 -5.287 -9.953 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.760 -6.097 -10.349 1.00 0.00 C ATOM 0 H THR A 58 -21.076 -4.265 -7.582 1.00 0.00 H new ATOM 0 HA THR A 58 -19.782 -6.869 -7.943 1.00 0.00 H new ATOM 0 HB THR A 58 -19.292 -4.250 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.008 -4.961 -10.877 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.799 -5.694 -11.361 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.736 -6.048 -9.979 1.00 0.00 H new ATOM 0 HG23 THR A 58 -19.094 -7.135 -10.358 1.00 0.00 H new ATOM 945 N THR A 59 -17.270 -6.205 -7.550 1.00 0.00 N ATOM 946 CA THR A 59 -15.916 -5.952 -7.015 1.00 0.00 C ATOM 947 C THR A 59 -15.086 -5.045 -7.953 1.00 0.00 C ATOM 948 O THR A 59 -15.458 -4.809 -9.117 1.00 0.00 O ATOM 949 CB THR A 59 -15.157 -7.297 -6.719 1.00 0.00 C ATOM 950 OG1 THR A 59 -15.264 -8.184 -7.836 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.699 -7.989 -5.458 1.00 0.00 C ATOM 0 H THR A 59 -17.324 -7.030 -8.147 1.00 0.00 H new ATOM 0 HA THR A 59 -16.041 -5.420 -6.072 1.00 0.00 H new ATOM 0 HB THR A 59 -14.109 -7.050 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.786 -9.017 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 59 -15.150 -8.915 -5.286 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.575 -7.329 -4.599 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.757 -8.215 -5.593 1.00 0.00 H new ATOM 959 N LEU A 60 -13.958 -4.551 -7.406 1.00 0.00 N ATOM 960 CA LEU A 60 -13.040 -3.600 -8.067 1.00 0.00 C ATOM 961 C LEU A 60 -12.322 -4.262 -9.249 1.00 0.00 C ATOM 962 O LEU A 60 -12.232 -3.691 -10.344 1.00 0.00 O ATOM 963 CB LEU A 60 -11.987 -3.076 -7.028 1.00 0.00 C ATOM 964 CG LEU A 60 -12.398 -1.844 -6.156 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.760 -2.027 -5.485 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.311 -1.522 -5.110 1.00 0.00 C ATOM 0 H LEU A 60 -13.651 -4.808 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.625 -2.763 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.737 -3.897 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.077 -2.819 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.491 -0.996 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.995 -1.143 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.526 -2.167 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.731 -2.902 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.621 -0.662 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.170 -2.382 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.374 -1.294 -5.618 1.00 0.00 H new ATOM 978 N GLU A 61 -11.807 -5.467 -8.980 1.00 0.00 N ATOM 979 CA GLU A 61 -11.104 -6.317 -9.965 1.00 0.00 C ATOM 980 C GLU A 61 -11.936 -6.543 -11.260 1.00 0.00 C ATOM 981 O GLU A 61 -11.375 -6.656 -12.353 1.00 0.00 O ATOM 982 CB GLU A 61 -10.761 -7.664 -9.281 1.00 0.00 C ATOM 983 CG GLU A 61 -11.993 -8.400 -8.706 1.00 0.00 C ATOM 984 CD GLU A 61 -11.639 -9.622 -7.853 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.179 -10.639 -8.420 1.00 0.00 O ATOM 986 OE2 GLU A 61 -11.821 -9.585 -6.614 1.00 0.00 O ATOM 0 H GLU A 61 -11.865 -5.893 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.193 -5.809 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.266 -8.313 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.049 -7.482 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.573 -7.702 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.633 -8.716 -9.530 1.00 0.00 H new ATOM 993 N GLU A 62 -13.277 -6.573 -11.113 1.00 0.00 N ATOM 994 CA GLU A 62 -14.223 -6.778 -12.227 1.00 0.00 C ATOM 995 C GLU A 62 -14.358 -5.531 -13.117 1.00 0.00 C ATOM 996 O GLU A 62 -14.725 -5.644 -14.292 1.00 0.00 O ATOM 997 CB GLU A 62 -15.611 -7.182 -11.672 1.00 0.00 C ATOM 998 CG GLU A 62 -15.654 -8.534 -10.941 1.00 0.00 C ATOM 999 CD GLU A 62 -15.302 -9.717 -11.856 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -16.177 -10.157 -12.636 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -14.157 -10.202 -11.812 1.00 0.00 O ATOM 0 H GLU A 62 -13.736 -6.455 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.824 -7.579 -12.849 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.951 -6.405 -10.987 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.321 -7.211 -12.499 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.959 -8.510 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.650 -8.686 -10.526 1.00 0.00 H new ATOM 1008 N TYR A 63 -14.083 -4.348 -12.548 1.00 0.00 N ATOM 1009 CA TYR A 63 -14.152 -3.063 -13.279 1.00 0.00 C ATOM 1010 C TYR A 63 -12.760 -2.494 -13.587 1.00 0.00 C ATOM 1011 O TYR A 63 -12.672 -1.346 -14.046 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.972 -2.023 -12.480 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.479 -2.298 -12.424 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -17.168 -2.370 -11.218 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -17.217 -2.442 -13.602 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.526 -2.568 -11.190 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.577 -2.651 -13.574 1.00 0.00 C ATOM 1018 CZ TYR A 63 -19.227 -2.712 -12.368 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.587 -2.900 -12.334 1.00 0.00 O ATOM 0 H TYR A 63 -13.807 -4.249 -11.571 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.648 -3.268 -14.228 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.586 -1.982 -11.461 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.813 -1.039 -12.921 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.626 -2.269 -10.289 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.710 -2.388 -14.554 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -19.046 -2.611 -10.244 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -19.129 -2.766 -14.495 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.929 -2.983 -13.249 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.691 -3.282 -13.336 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.289 -2.869 -13.612 1.00 0.00 C ATOM 1031 C ASN A 64 -9.923 -1.586 -12.822 1.00 0.00 C ATOM 1032 O ASN A 64 -9.204 -0.703 -13.314 1.00 0.00 O ATOM 1033 CB ASN A 64 -10.064 -2.701 -15.158 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.601 -2.465 -15.601 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -8.346 -1.763 -16.581 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.639 -3.076 -14.928 1.00 0.00 N ATOM 0 H ASN A 64 -11.770 -4.218 -12.939 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.616 -3.654 -13.267 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.437 -3.594 -15.660 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.669 -1.864 -15.506 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.667 -2.970 -15.218 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.870 -3.653 -14.119 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.432 -1.496 -11.576 1.00 0.00 N ATOM 1044 CA ILE A 65 -10.126 -0.374 -10.669 1.00 0.00 C ATOM 1045 C ILE A 65 -8.660 -0.499 -10.223 1.00 0.00 C ATOM 1046 O ILE A 65 -8.351 -1.208 -9.270 1.00 0.00 O ATOM 1047 CB ILE A 65 -11.083 -0.336 -9.415 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.581 -0.360 -9.852 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.800 0.888 -8.505 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -13.006 0.814 -10.698 1.00 0.00 C ATOM 0 H ILE A 65 -11.060 -2.192 -11.175 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.286 0.561 -11.206 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.878 -1.233 -8.831 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.769 -1.279 -10.408 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.206 -0.393 -8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.481 0.874 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.771 0.845 -8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.948 1.806 -9.074 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -14.061 0.714 -10.955 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.854 1.738 -10.140 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.411 0.839 -11.611 1.00 0.00 H new ATOM 1062 N THR A 66 -7.774 0.108 -11.018 1.00 0.00 N ATOM 1063 CA THR A 66 -6.315 0.095 -10.812 1.00 0.00 C ATOM 1064 C THR A 66 -5.827 1.447 -10.230 1.00 0.00 C ATOM 1065 O THR A 66 -6.599 2.397 -10.201 1.00 0.00 O ATOM 1066 CB THR A 66 -5.629 -0.219 -12.182 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.206 0.586 -13.233 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.727 -1.713 -12.527 1.00 0.00 C ATOM 0 H THR A 66 -8.054 0.636 -11.844 1.00 0.00 H new ATOM 0 HA THR A 66 -6.047 -0.674 -10.088 1.00 0.00 H new ATOM 0 HB THR A 66 -4.572 0.032 -12.093 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.765 0.379 -14.083 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.241 -1.898 -13.485 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.234 -2.299 -11.751 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.776 -2.004 -12.590 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.542 1.566 -9.730 1.00 0.00 N ATOM 1077 CA PRO A 67 -4.052 2.837 -9.141 1.00 0.00 C ATOM 1078 C PRO A 67 -3.844 3.947 -10.203 1.00 0.00 C ATOM 1079 O PRO A 67 -3.594 3.657 -11.379 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.721 2.430 -8.463 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.237 1.261 -9.265 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.483 0.511 -9.691 1.00 0.00 C ATOM 0 HA PRO A 67 -4.769 3.273 -8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.001 3.248 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.874 2.159 -7.418 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.664 1.591 -10.131 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.581 0.624 -8.672 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.352 0.040 -10.665 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.734 -0.281 -8.985 1.00 0.00 H new ATOM 1090 N GLY A 68 -3.984 5.216 -9.767 1.00 0.00 N ATOM 1091 CA GLY A 68 -3.753 6.380 -10.624 1.00 0.00 C ATOM 1092 C GLY A 68 -4.956 6.781 -11.468 1.00 0.00 C ATOM 1093 O GLY A 68 -4.865 7.729 -12.253 1.00 0.00 O ATOM 0 H GLY A 68 -4.259 5.454 -8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.463 7.225 -10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.913 6.169 -11.286 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.094 6.086 -11.299 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.329 6.367 -12.066 1.00 0.00 C ATOM 1099 C VAL A 69 -8.239 7.341 -11.294 1.00 0.00 C ATOM 1100 O VAL A 69 -8.077 7.526 -10.075 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.107 5.042 -12.415 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.185 4.048 -13.172 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.737 4.395 -11.152 1.00 0.00 C ATOM 0 H VAL A 69 -6.188 5.319 -10.633 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.034 6.836 -13.005 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.932 5.303 -13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.741 3.140 -13.404 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.838 4.507 -14.098 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.328 3.799 -12.547 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.265 3.484 -11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.951 4.152 -10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.438 5.094 -10.697 1.00 0.00 H new ATOM 1113 N THR A 70 -9.186 7.962 -12.013 1.00 0.00 N ATOM 1114 CA THR A 70 -10.134 8.920 -11.436 1.00 0.00 C ATOM 1115 C THR A 70 -11.572 8.387 -11.593 1.00 0.00 C ATOM 1116 O THR A 70 -12.142 8.391 -12.694 1.00 0.00 O ATOM 1117 CB THR A 70 -10.009 10.329 -12.113 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.630 10.725 -12.163 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.816 11.404 -11.354 1.00 0.00 C ATOM 0 H THR A 70 -9.314 7.812 -13.014 1.00 0.00 H new ATOM 0 HA THR A 70 -9.898 9.035 -10.378 1.00 0.00 H new ATOM 0 HB THR A 70 -10.415 10.245 -13.121 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.558 11.605 -12.588 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.703 12.365 -11.855 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.869 11.125 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.446 11.482 -10.332 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.110 7.853 -10.491 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.546 7.568 -10.344 1.00 0.00 C ATOM 1129 C LEU A 71 -14.297 8.894 -10.141 1.00 0.00 C ATOM 1130 O LEU A 71 -13.704 9.892 -9.731 1.00 0.00 O ATOM 1131 CB LEU A 71 -13.805 6.591 -9.150 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.557 5.055 -9.409 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.249 4.765 -10.163 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.594 4.267 -8.084 1.00 0.00 C ATOM 0 H LEU A 71 -11.560 7.604 -9.669 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.911 7.078 -11.247 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.173 6.900 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.839 6.717 -8.829 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.369 4.722 -10.055 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.143 3.690 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.271 5.260 -11.134 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.405 5.139 -9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.421 3.210 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.818 4.642 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.569 4.392 -7.613 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.595 8.898 -10.454 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.466 10.071 -10.279 1.00 0.00 C ATOM 1148 C GLU A 72 -17.731 9.666 -9.522 1.00 0.00 C ATOM 1149 O GLU A 72 -17.986 8.478 -9.307 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.844 10.695 -11.651 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.661 11.232 -12.484 1.00 0.00 C ATOM 1152 CD GLU A 72 -16.126 11.892 -13.795 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -16.210 13.139 -13.855 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.435 11.165 -14.761 1.00 0.00 O ATOM 0 H GLU A 72 -16.077 8.085 -10.838 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.923 10.821 -9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.369 9.943 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.545 11.512 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.102 11.957 -11.893 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.979 10.413 -12.713 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.504 10.676 -9.110 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.813 10.501 -8.478 1.00 0.00 C ATOM 1163 C LEU A 73 -20.860 11.261 -9.287 1.00 0.00 C ATOM 1164 O LEU A 73 -20.845 12.491 -9.340 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.796 10.973 -6.998 1.00 0.00 C ATOM 1166 CG LEU A 73 -18.969 10.082 -6.018 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.008 10.631 -4.571 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.441 8.606 -6.079 1.00 0.00 C ATOM 0 H LEU A 73 -18.232 11.654 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.065 9.441 -8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.398 11.987 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.824 11.021 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.929 10.114 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.421 9.983 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.591 11.638 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.040 10.659 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.850 8.006 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.493 8.549 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.312 8.224 -7.092 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.698 10.505 -9.994 1.00 0.00 N ATOM 1181 CA LYS A 74 -22.885 11.020 -10.693 1.00 0.00 C ATOM 1182 C LYS A 74 -24.107 10.730 -9.820 1.00 0.00 C ATOM 1183 O LYS A 74 -24.192 9.655 -9.235 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.014 10.341 -12.094 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.200 11.017 -13.242 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.683 11.147 -12.938 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.853 11.646 -14.131 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.090 13.076 -14.414 1.00 0.00 N ATOM 0 H LYS A 74 -21.573 9.498 -10.102 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.803 12.094 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.694 9.303 -12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.067 10.327 -12.377 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.330 10.439 -14.157 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.610 12.009 -13.431 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.547 11.832 -12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.301 10.177 -12.622 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.794 11.488 -13.927 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.098 11.057 -15.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.510 13.370 -15.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.095 13.224 -14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.832 13.642 -13.581 1.00 0.00 H new ATOM 1202 N THR A 75 -25.039 11.684 -9.728 1.00 0.00 N ATOM 1203 CA THR A 75 -26.232 11.535 -8.881 1.00 0.00 C ATOM 1204 C THR A 75 -27.137 10.385 -9.384 1.00 0.00 C ATOM 1205 O THR A 75 -27.523 10.350 -10.561 1.00 0.00 O ATOM 1206 CB THR A 75 -27.046 12.868 -8.803 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.262 13.384 -10.129 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.334 13.931 -7.937 1.00 0.00 C ATOM 0 H THR A 75 -24.992 12.571 -10.230 1.00 0.00 H new ATOM 0 HA THR A 75 -25.885 11.287 -7.878 1.00 0.00 H new ATOM 0 HB THR A 75 -28.002 12.645 -8.330 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.467 12.644 -10.738 1.00 0.00 H new ATOM 0 HG21 THR A 75 -26.934 14.840 -7.910 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.208 13.550 -6.924 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.357 14.154 -8.365 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.404 9.423 -8.478 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.413 8.372 -8.660 1.00 0.00 C ATOM 1218 C ARG A 76 -29.789 9.068 -8.722 1.00 0.00 C ATOM 1219 O ARG A 76 -30.459 9.255 -7.699 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.294 7.338 -7.480 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.903 5.918 -7.702 1.00 0.00 C ATOM 1222 CD ARG A 76 -30.418 5.785 -7.402 1.00 0.00 C ATOM 1223 NE ARG A 76 -31.274 6.441 -8.413 1.00 0.00 N ATOM 1224 CZ ARG A 76 -31.681 5.886 -9.568 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -31.373 4.638 -9.866 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -32.429 6.584 -10.406 1.00 0.00 N ATOM 0 H ARG A 76 -26.914 9.358 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.271 7.808 -9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.237 7.217 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.769 7.774 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -28.729 5.625 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.363 5.209 -7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -30.679 4.728 -7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -30.627 6.217 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 76 -31.581 7.394 -8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -30.819 4.080 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -31.689 4.231 -10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -32.696 7.541 -10.175 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -32.739 6.165 -11.283 1.00 0.00 H new