USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 511 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 7 THR OG1 : rot -84:sc= 1.31 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : A 2 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.33) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -72:sc= 1.64 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00305 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0148) USER MOD Single : A 31 GLN : amide:sc= -2.75! C(o=-2.7!,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -4.33! K(o=-4.3!,f=-2.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0.13 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.45!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.187) USER MOD Single : A 65 SER OG : rot 119:sc= 0.0554 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.26! C(o=-1.3!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 52.986 -8.857 1.023 1.00 0.00 N ATOM 21 CA GLN A 2 53.193 -8.193 2.305 1.00 0.00 C ATOM 22 C GLN A 2 54.554 -8.563 2.887 1.00 0.00 C ATOM 23 O GLN A 2 54.718 -9.631 3.477 1.00 0.00 O ATOM 24 CB GLN A 2 52.084 -8.578 3.290 1.00 0.00 C ATOM 25 CG GLN A 2 51.715 -7.365 4.143 1.00 0.00 C ATOM 26 CD GLN A 2 50.777 -6.448 3.367 1.00 0.00 C ATOM 27 OE1 GLN A 2 51.230 -5.530 2.682 1.00 0.00 O ATOM 28 NE2 GLN A 2 49.488 -6.643 3.428 1.00 0.00 N ATOM 0 HA GLN A 2 53.163 -7.116 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 2 51.208 -8.934 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.418 -9.396 3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.236 -7.691 5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 2 52.616 -6.821 4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 2 49.114 -7.403 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 2 48.855 -6.035 2.908 1.00 0.00 H new ATOM 37 N ILE A 3 55.523 -7.670 2.712 1.00 0.00 N ATOM 38 CA ILE A 3 56.871 -7.901 3.220 1.00 0.00 C ATOM 39 C ILE A 3 57.314 -6.724 4.084 1.00 0.00 C ATOM 40 O ILE A 3 56.822 -5.610 3.918 1.00 0.00 O ATOM 41 CB ILE A 3 57.842 -8.083 2.053 1.00 0.00 C ATOM 42 CG1 ILE A 3 57.703 -6.910 1.078 1.00 0.00 C ATOM 43 CG2 ILE A 3 57.517 -9.389 1.324 1.00 0.00 C ATOM 44 CD1 ILE A 3 58.867 -6.932 0.089 1.00 0.00 C ATOM 0 H ILE A 3 55.401 -6.783 2.224 1.00 0.00 H new ATOM 0 HA ILE A 3 56.869 -8.805 3.828 1.00 0.00 H new ATOM 0 HB ILE A 3 58.863 -8.117 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 3 56.756 -6.978 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.694 -5.967 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.207 -9.522 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.616 -10.226 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.495 -9.350 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 3 58.770 -6.098 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 3 59.808 -6.844 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 3 58.855 -7.870 -0.466 1.00 0.00 H new ATOM 56 N PHE A 4 58.239 -6.980 5.006 1.00 0.00 N ATOM 57 CA PHE A 4 58.728 -5.928 5.892 1.00 0.00 C ATOM 58 C PHE A 4 60.140 -5.503 5.503 1.00 0.00 C ATOM 59 O PHE A 4 60.980 -6.336 5.160 1.00 0.00 O ATOM 60 CB PHE A 4 58.734 -6.424 7.340 1.00 0.00 C ATOM 61 CG PHE A 4 57.316 -6.685 7.792 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.466 -5.612 8.087 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.853 -7.999 7.917 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.154 -5.853 8.506 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.539 -8.241 8.337 1.00 0.00 C ATOM 66 CZ PHE A 4 54.689 -7.168 8.632 1.00 0.00 C ATOM 0 H PHE A 4 58.661 -7.896 5.158 1.00 0.00 H new ATOM 0 HA PHE A 4 58.062 -5.070 5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.326 -7.336 7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.202 -5.682 7.987 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.824 -4.598 7.991 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.509 -8.827 7.690 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.499 -5.025 8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 4 55.181 -9.255 8.433 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.676 -7.354 8.956 1.00 0.00 H new ATOM 76 N VAL A 5 60.393 -4.197 5.564 1.00 0.00 N ATOM 77 CA VAL A 5 61.704 -3.655 5.225 1.00 0.00 C ATOM 78 C VAL A 5 62.265 -2.861 6.400 1.00 0.00 C ATOM 79 O VAL A 5 61.571 -2.031 6.986 1.00 0.00 O ATOM 80 CB VAL A 5 61.591 -2.747 3.999 1.00 0.00 C ATOM 81 CG1 VAL A 5 62.947 -2.093 3.721 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.171 -3.580 2.787 1.00 0.00 C ATOM 0 H VAL A 5 59.707 -3.496 5.845 1.00 0.00 H new ATOM 0 HA VAL A 5 62.378 -4.482 5.001 1.00 0.00 H new ATOM 0 HB VAL A 5 60.846 -1.974 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 5 62.867 -1.446 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.249 -1.501 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.692 -2.866 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.090 -2.935 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 5 61.917 -4.352 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.206 -4.048 2.984 1.00 0.00 H new ATOM 92 N LYS A 6 63.520 -3.121 6.742 1.00 0.00 N ATOM 93 CA LYS A 6 64.158 -2.426 7.854 1.00 0.00 C ATOM 94 C LYS A 6 65.006 -1.264 7.348 1.00 0.00 C ATOM 95 O LYS A 6 65.910 -1.449 6.535 1.00 0.00 O ATOM 96 CB LYS A 6 65.038 -3.397 8.643 1.00 0.00 C ATOM 97 CG LYS A 6 65.698 -2.658 9.808 1.00 0.00 C ATOM 98 CD LYS A 6 67.182 -2.443 9.504 1.00 0.00 C ATOM 99 CE LYS A 6 67.838 -1.694 10.665 1.00 0.00 C ATOM 100 NZ LYS A 6 68.189 -2.661 11.744 1.00 0.00 N ATOM 0 H LYS A 6 64.114 -3.803 6.270 1.00 0.00 H new ATOM 0 HA LYS A 6 63.377 -2.033 8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 6 64.437 -4.226 9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.800 -3.825 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 6 65.206 -1.698 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 6 65.584 -3.232 10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 6 67.676 -3.403 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 6 67.296 -1.876 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 6 68.733 -1.178 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 6 67.160 -0.933 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 68.635 -2.153 12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 67.326 -3.134 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 68.851 -3.371 11.372 1.00 0.00 H new ATOM 114 N THR A 7 64.707 -0.064 7.840 1.00 0.00 N ATOM 115 CA THR A 7 65.448 1.124 7.433 1.00 0.00 C ATOM 116 C THR A 7 66.578 1.411 8.417 1.00 0.00 C ATOM 117 O THR A 7 66.697 0.752 9.451 1.00 0.00 O ATOM 118 CB THR A 7 64.507 2.328 7.367 1.00 0.00 C ATOM 119 OG1 THR A 7 63.816 2.456 8.602 1.00 0.00 O ATOM 120 CG2 THR A 7 63.500 2.130 6.234 1.00 0.00 C ATOM 0 H THR A 7 63.963 0.110 8.516 1.00 0.00 H new ATOM 0 HA THR A 7 65.876 0.944 6.447 1.00 0.00 H new ATOM 0 HB THR A 7 65.086 3.232 7.180 1.00 0.00 H new ATOM 0 HG1 THR A 7 63.028 1.873 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 7 62.830 2.989 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.032 2.034 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 7 62.919 1.226 6.417 1.00 0.00 H new ATOM 128 N LEU A 8 67.405 2.396 8.089 1.00 0.00 N ATOM 129 CA LEU A 8 68.524 2.761 8.947 1.00 0.00 C ATOM 130 C LEU A 8 68.019 3.398 10.239 1.00 0.00 C ATOM 131 O LEU A 8 68.775 3.565 11.196 1.00 0.00 O ATOM 132 CB LEU A 8 69.438 3.746 8.214 1.00 0.00 C ATOM 133 CG LEU A 8 70.292 3.005 7.173 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.303 2.084 7.868 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.389 2.169 6.265 1.00 0.00 C ATOM 0 H LEU A 8 67.322 2.954 7.239 1.00 0.00 H new ATOM 0 HA LEU A 8 69.083 1.858 9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.839 4.513 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.084 4.255 8.929 1.00 0.00 H new ATOM 0 HG LEU A 8 70.832 3.742 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 8 71.900 1.567 7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.958 2.678 8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.771 1.352 8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.998 1.645 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 8 68.841 1.443 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 8 68.683 2.822 5.753 1.00 0.00 H new ATOM 147 N THR A 9 66.738 3.753 10.257 1.00 0.00 N ATOM 148 CA THR A 9 66.144 4.372 11.436 1.00 0.00 C ATOM 149 C THR A 9 65.345 3.348 12.234 1.00 0.00 C ATOM 150 O THR A 9 64.813 3.658 13.302 1.00 0.00 O ATOM 151 CB THR A 9 65.227 5.523 11.015 1.00 0.00 C ATOM 152 OG1 THR A 9 63.904 5.035 10.847 1.00 0.00 O ATOM 153 CG2 THR A 9 65.726 6.118 9.696 1.00 0.00 C ATOM 0 H THR A 9 66.096 3.624 9.475 1.00 0.00 H new ATOM 0 HA THR A 9 66.947 4.758 12.064 1.00 0.00 H new ATOM 0 HB THR A 9 65.234 6.295 11.785 1.00 0.00 H new ATOM 0 HG1 THR A 9 63.315 5.771 10.579 1.00 0.00 H new ATOM 0 HG21 THR A 9 65.073 6.938 9.396 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.741 6.492 9.827 1.00 0.00 H new ATOM 0 HG23 THR A 9 65.720 5.348 8.924 1.00 0.00 H new ATOM 161 N GLY A 10 65.261 2.129 11.711 1.00 0.00 N ATOM 162 CA GLY A 10 64.522 1.069 12.384 1.00 0.00 C ATOM 163 C GLY A 10 63.083 1.005 11.882 1.00 0.00 C ATOM 164 O GLY A 10 62.461 -0.056 11.883 1.00 0.00 O ATOM 0 H GLY A 10 65.693 1.853 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.014 0.112 12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.529 1.242 13.460 1.00 0.00 H new ATOM 168 N LYS A 11 62.562 2.151 11.455 1.00 0.00 N ATOM 169 CA LYS A 11 61.195 2.215 10.951 1.00 0.00 C ATOM 170 C LYS A 11 60.929 1.072 9.976 1.00 0.00 C ATOM 171 O LYS A 11 61.576 0.971 8.934 1.00 0.00 O ATOM 172 CB LYS A 11 60.963 3.554 10.247 1.00 0.00 C ATOM 173 CG LYS A 11 59.477 3.706 9.910 1.00 0.00 C ATOM 174 CD LYS A 11 59.325 4.037 8.423 1.00 0.00 C ATOM 175 CE LYS A 11 60.040 5.354 8.116 1.00 0.00 C ATOM 176 NZ LYS A 11 59.124 6.252 7.360 1.00 0.00 N ATOM 0 H LYS A 11 63.061 3.041 11.448 1.00 0.00 H new ATOM 0 HA LYS A 11 60.511 2.123 11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 11 61.287 4.374 10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.560 3.606 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 11 58.943 2.785 10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 11 59.034 4.496 10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 11 59.744 3.234 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 11 58.269 4.115 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 11 60.354 5.834 9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 11 60.942 5.163 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 59.610 7.147 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 58.845 5.793 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 58.276 6.443 7.931 1.00 0.00 H new ATOM 190 N THR A 12 59.975 0.213 10.324 1.00 0.00 N ATOM 191 CA THR A 12 59.635 -0.920 9.471 1.00 0.00 C ATOM 192 C THR A 12 58.547 -0.533 8.474 1.00 0.00 C ATOM 193 O THR A 12 57.480 -0.058 8.860 1.00 0.00 O ATOM 194 CB THR A 12 59.155 -2.095 10.326 1.00 0.00 C ATOM 195 OG1 THR A 12 60.027 -2.259 11.434 1.00 0.00 O ATOM 196 CG2 THR A 12 59.148 -3.372 9.484 1.00 0.00 C ATOM 0 H THR A 12 59.428 0.279 11.183 1.00 0.00 H new ATOM 0 HA THR A 12 60.528 -1.216 8.920 1.00 0.00 H new ATOM 0 HB THR A 12 58.145 -1.895 10.685 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.720 -3.010 11.984 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.806 -4.208 10.094 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.477 -3.244 8.635 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.156 -3.575 9.123 1.00 0.00 H new ATOM 204 N ILE A 13 58.827 -0.745 7.190 1.00 0.00 N ATOM 205 CA ILE A 13 57.866 -0.420 6.142 1.00 0.00 C ATOM 206 C ILE A 13 57.249 -1.692 5.572 1.00 0.00 C ATOM 207 O ILE A 13 57.960 -2.636 5.233 1.00 0.00 O ATOM 208 CB ILE A 13 58.561 0.355 5.020 1.00 0.00 C ATOM 209 CG1 ILE A 13 59.948 0.801 5.493 1.00 0.00 C ATOM 210 CG2 ILE A 13 57.728 1.584 4.651 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.586 1.703 4.434 1.00 0.00 C ATOM 0 H ILE A 13 59.706 -1.138 6.853 1.00 0.00 H new ATOM 0 HA ILE A 13 57.077 0.194 6.575 1.00 0.00 H new ATOM 0 HB ILE A 13 58.663 -0.287 4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.866 1.336 6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.579 -0.069 5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.225 2.134 3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 13 56.741 1.267 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.623 2.228 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.573 2.019 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.682 1.153 3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 13 59.958 2.580 4.277 1.00 0.00 H new ATOM 223 N THR A 14 55.922 -1.707 5.468 1.00 0.00 N ATOM 224 CA THR A 14 55.222 -2.870 4.935 1.00 0.00 C ATOM 225 C THR A 14 54.731 -2.597 3.517 1.00 0.00 C ATOM 226 O THR A 14 53.944 -1.677 3.290 1.00 0.00 O ATOM 227 CB THR A 14 54.030 -3.225 5.826 1.00 0.00 C ATOM 228 OG1 THR A 14 54.449 -3.252 7.183 1.00 0.00 O ATOM 229 CG2 THR A 14 53.487 -4.598 5.426 1.00 0.00 C ATOM 0 H THR A 14 55.316 -0.934 5.743 1.00 0.00 H new ATOM 0 HA THR A 14 55.920 -3.707 4.915 1.00 0.00 H new ATOM 0 HB THR A 14 53.245 -2.478 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 14 55.001 -4.047 7.339 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.638 -4.852 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.168 -4.574 4.384 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.268 -5.348 5.548 1.00 0.00 H new ATOM 237 N LEU A 15 55.204 -3.402 2.569 1.00 0.00 N ATOM 238 CA LEU A 15 54.813 -3.247 1.171 1.00 0.00 C ATOM 239 C LEU A 15 54.224 -4.548 0.632 1.00 0.00 C ATOM 240 O LEU A 15 54.624 -5.637 1.045 1.00 0.00 O ATOM 241 CB LEU A 15 56.031 -2.855 0.330 1.00 0.00 C ATOM 242 CG LEU A 15 56.718 -1.633 0.951 1.00 0.00 C ATOM 243 CD1 LEU A 15 58.025 -1.349 0.209 1.00 0.00 C ATOM 244 CD2 LEU A 15 55.802 -0.407 0.851 1.00 0.00 C ATOM 0 H LEU A 15 55.857 -4.166 2.743 1.00 0.00 H new ATOM 0 HA LEU A 15 54.058 -2.464 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 56.731 -3.689 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 15 55.723 -2.631 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 15 56.928 -1.840 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 15 58.513 -0.480 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 15 58.683 -2.214 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 15 57.811 -1.150 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 15 56.299 0.456 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 15 55.583 -0.201 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 54.872 -0.604 1.384 1.00 0.00 H new ATOM 256 N GLU A 16 53.273 -4.425 -0.289 1.00 0.00 N ATOM 257 CA GLU A 16 52.637 -5.599 -0.878 1.00 0.00 C ATOM 258 C GLU A 16 53.185 -5.858 -2.277 1.00 0.00 C ATOM 259 O GLU A 16 53.201 -4.963 -3.122 1.00 0.00 O ATOM 260 CB GLU A 16 51.124 -5.392 -0.950 1.00 0.00 C ATOM 261 CG GLU A 16 50.437 -6.730 -1.234 1.00 0.00 C ATOM 262 CD GLU A 16 48.930 -6.529 -1.352 1.00 0.00 C ATOM 263 OE1 GLU A 16 48.402 -5.716 -0.611 1.00 0.00 O ATOM 264 OE2 GLU A 16 48.328 -7.192 -2.180 1.00 0.00 O ATOM 0 H GLU A 16 52.928 -3.532 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 16 52.855 -6.462 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.758 -4.976 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.882 -4.674 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.828 -7.160 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.656 -7.437 -0.434 1.00 0.00 H new ATOM 271 N VAL A 17 53.635 -7.085 -2.515 1.00 0.00 N ATOM 272 CA VAL A 17 54.182 -7.447 -3.818 1.00 0.00 C ATOM 273 C VAL A 17 53.821 -8.887 -4.173 1.00 0.00 C ATOM 274 O VAL A 17 53.352 -9.647 -3.326 1.00 0.00 O ATOM 275 CB VAL A 17 55.703 -7.290 -3.807 1.00 0.00 C ATOM 276 CG1 VAL A 17 56.074 -5.958 -3.154 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.328 -8.438 -3.011 1.00 0.00 C ATOM 0 H VAL A 17 53.632 -7.840 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 17 53.752 -6.782 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 17 56.077 -7.310 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 17 57.158 -5.846 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.629 -5.139 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 17 55.700 -5.938 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.412 -8.327 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.953 -8.418 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 17 56.064 -9.388 -3.475 1.00 0.00 H new ATOM 287 N GLU A 18 54.045 -9.254 -5.431 1.00 0.00 N ATOM 288 CA GLU A 18 53.741 -10.603 -5.891 1.00 0.00 C ATOM 289 C GLU A 18 54.989 -11.483 -5.814 1.00 0.00 C ATOM 290 O GLU A 18 56.111 -10.976 -5.831 1.00 0.00 O ATOM 291 CB GLU A 18 53.233 -10.554 -7.334 1.00 0.00 C ATOM 292 CG GLU A 18 51.703 -10.565 -7.342 1.00 0.00 C ATOM 293 CD GLU A 18 51.190 -10.457 -8.775 1.00 0.00 C ATOM 294 OE1 GLU A 18 50.560 -9.458 -9.084 1.00 0.00 O ATOM 295 OE2 GLU A 18 51.436 -11.372 -9.542 1.00 0.00 O ATOM 0 H GLU A 18 54.434 -8.639 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 18 52.970 -11.028 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.603 -9.656 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.615 -11.408 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 18 51.335 -11.483 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 18 51.322 -9.735 -6.747 1.00 0.00 H new ATOM 302 N PRO A 19 54.825 -12.782 -5.733 1.00 0.00 N ATOM 303 CA PRO A 19 55.974 -13.729 -5.655 1.00 0.00 C ATOM 304 C PRO A 19 56.761 -13.786 -6.961 1.00 0.00 C ATOM 305 O PRO A 19 57.577 -14.687 -7.166 1.00 0.00 O ATOM 306 CB PRO A 19 55.322 -15.081 -5.353 1.00 0.00 C ATOM 307 CG PRO A 19 53.915 -14.963 -5.832 1.00 0.00 C ATOM 308 CD PRO A 19 53.532 -13.489 -5.707 1.00 0.00 C ATOM 0 HA PRO A 19 56.698 -13.426 -4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 19 55.843 -15.891 -5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 19 55.356 -15.303 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 19 53.828 -15.299 -6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 19 53.249 -15.588 -5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 19 52.888 -13.173 -6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 19 52.989 -13.295 -4.782 1.00 0.00 H new ATOM 316 N SER A 20 56.511 -12.817 -7.838 1.00 0.00 N ATOM 317 CA SER A 20 57.198 -12.759 -9.125 1.00 0.00 C ATOM 318 C SER A 20 57.838 -11.389 -9.329 1.00 0.00 C ATOM 319 O SER A 20 58.254 -11.046 -10.435 1.00 0.00 O ATOM 320 CB SER A 20 56.208 -13.033 -10.256 1.00 0.00 C ATOM 321 OG SER A 20 56.891 -13.652 -11.339 1.00 0.00 O ATOM 0 H SER A 20 55.841 -12.064 -7.682 1.00 0.00 H new ATOM 0 HA SER A 20 57.980 -13.518 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.404 -13.678 -9.902 1.00 0.00 H new ATOM 0 HB3 SER A 20 55.748 -12.101 -10.586 1.00 0.00 H new ATOM 0 HG SER A 20 56.258 -13.830 -12.066 1.00 0.00 H new ATOM 327 N ASP A 21 57.915 -10.610 -8.254 1.00 0.00 N ATOM 328 CA ASP A 21 58.507 -9.280 -8.327 1.00 0.00 C ATOM 329 C ASP A 21 59.990 -9.334 -7.976 1.00 0.00 C ATOM 330 O ASP A 21 60.400 -10.079 -7.087 1.00 0.00 O ATOM 331 CB ASP A 21 57.789 -8.334 -7.364 1.00 0.00 C ATOM 332 CG ASP A 21 56.445 -7.910 -7.950 1.00 0.00 C ATOM 333 OD1 ASP A 21 56.451 -7.252 -8.977 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.433 -8.247 -7.360 1.00 0.00 O ATOM 0 H ASP A 21 57.577 -10.875 -7.329 1.00 0.00 H new ATOM 0 HA ASP A 21 58.399 -8.911 -9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 21 57.637 -8.827 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 21 58.406 -7.455 -7.177 1.00 0.00 H new ATOM 339 N THR A 22 60.789 -8.537 -8.680 1.00 0.00 N ATOM 340 CA THR A 22 62.226 -8.499 -8.435 1.00 0.00 C ATOM 341 C THR A 22 62.605 -7.238 -7.662 1.00 0.00 C ATOM 342 O THR A 22 61.902 -6.230 -7.722 1.00 0.00 O ATOM 343 CB THR A 22 62.984 -8.529 -9.765 1.00 0.00 C ATOM 344 OG1 THR A 22 62.457 -7.534 -10.631 1.00 0.00 O ATOM 345 CG2 THR A 22 62.826 -9.906 -10.412 1.00 0.00 C ATOM 0 H THR A 22 60.468 -7.913 -9.420 1.00 0.00 H new ATOM 0 HA THR A 22 62.497 -9.372 -7.841 1.00 0.00 H new ATOM 0 HB THR A 22 64.041 -8.333 -9.586 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.942 -7.551 -11.482 1.00 0.00 H new ATOM 0 HG21 THR A 22 63.366 -9.927 -11.359 1.00 0.00 H new ATOM 0 HG22 THR A 22 63.230 -10.669 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A 22 61.769 -10.104 -10.592 1.00 0.00 H new ATOM 353 N ILE A 23 63.716 -7.306 -6.937 1.00 0.00 N ATOM 354 CA ILE A 23 64.178 -6.167 -6.154 1.00 0.00 C ATOM 355 C ILE A 23 63.999 -4.870 -6.939 1.00 0.00 C ATOM 356 O ILE A 23 63.812 -3.802 -6.355 1.00 0.00 O ATOM 357 CB ILE A 23 65.652 -6.351 -5.793 1.00 0.00 C ATOM 358 CG1 ILE A 23 65.763 -7.264 -4.569 1.00 0.00 C ATOM 359 CG2 ILE A 23 66.276 -4.992 -5.470 1.00 0.00 C ATOM 360 CD1 ILE A 23 65.103 -8.610 -4.870 1.00 0.00 C ATOM 0 H ILE A 23 64.310 -8.133 -6.875 1.00 0.00 H new ATOM 0 HA ILE A 23 63.585 -6.108 -5.241 1.00 0.00 H new ATOM 0 HB ILE A 23 66.178 -6.800 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 23 66.811 -7.412 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.283 -6.796 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 23 67.327 -5.126 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 23 66.195 -4.339 -6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.751 -4.542 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 23 65.183 -9.258 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.051 -8.454 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.603 -9.079 -5.717 1.00 0.00 H new ATOM 372 N GLU A 24 64.057 -4.971 -8.262 1.00 0.00 N ATOM 373 CA GLU A 24 63.897 -3.797 -9.113 1.00 0.00 C ATOM 374 C GLU A 24 62.550 -3.131 -8.854 1.00 0.00 C ATOM 375 O GLU A 24 62.472 -1.916 -8.671 1.00 0.00 O ATOM 376 CB GLU A 24 63.994 -4.204 -10.585 1.00 0.00 C ATOM 377 CG GLU A 24 65.363 -3.799 -11.137 1.00 0.00 C ATOM 378 CD GLU A 24 65.423 -2.286 -11.320 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.980 -1.816 -12.356 1.00 0.00 O ATOM 380 OE2 GLU A 24 65.913 -1.621 -10.422 1.00 0.00 O ATOM 0 H GLU A 24 64.212 -5.845 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 24 64.691 -3.088 -8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 24 63.853 -5.280 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 24 63.202 -3.724 -11.159 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.150 -4.123 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.542 -4.297 -12.090 1.00 0.00 H new ATOM 387 N ASN A 25 61.492 -3.935 -8.838 1.00 0.00 N ATOM 388 CA ASN A 25 60.151 -3.414 -8.598 1.00 0.00 C ATOM 389 C ASN A 25 60.009 -2.945 -7.153 1.00 0.00 C ATOM 390 O ASN A 25 59.405 -1.908 -6.882 1.00 0.00 O ATOM 391 CB ASN A 25 59.109 -4.495 -8.891 1.00 0.00 C ATOM 392 CG ASN A 25 58.630 -4.382 -10.334 1.00 0.00 C ATOM 393 OD1 ASN A 25 59.431 -4.469 -11.264 1.00 0.00 O ATOM 394 ND2 ASN A 25 57.362 -4.193 -10.577 1.00 0.00 N ATOM 0 H ASN A 25 61.536 -4.943 -8.987 1.00 0.00 H new ATOM 0 HA ASN A 25 59.988 -2.565 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 25 59.539 -5.482 -8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 25 58.264 -4.391 -8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 25 57.033 -4.117 -11.539 1.00 0.00 H new ATOM 0 HD22 ASN A 25 56.700 -4.121 -9.804 1.00 0.00 H new ATOM 401 N ALA A 26 60.569 -3.720 -6.230 1.00 0.00 N ATOM 402 CA ALA A 26 60.501 -3.377 -4.814 1.00 0.00 C ATOM 403 C ALA A 26 61.165 -2.028 -4.557 1.00 0.00 C ATOM 404 O ALA A 26 60.647 -1.205 -3.800 1.00 0.00 O ATOM 405 CB ALA A 26 61.191 -4.456 -3.979 1.00 0.00 C ATOM 0 H ALA A 26 61.072 -4.584 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 26 59.452 -3.313 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 26 61.135 -4.191 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.695 -5.413 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 26 62.236 -4.535 -4.278 1.00 0.00 H new ATOM 411 N LYS A 27 62.310 -1.807 -5.192 1.00 0.00 N ATOM 412 CA LYS A 27 63.035 -0.552 -5.024 1.00 0.00 C ATOM 413 C LYS A 27 62.183 0.622 -5.495 1.00 0.00 C ATOM 414 O LYS A 27 62.189 1.692 -4.885 1.00 0.00 O ATOM 415 CB LYS A 27 64.340 -0.591 -5.821 1.00 0.00 C ATOM 416 CG LYS A 27 65.458 -1.158 -4.946 1.00 0.00 C ATOM 417 CD LYS A 27 66.725 -1.333 -5.786 1.00 0.00 C ATOM 418 CE LYS A 27 67.827 -1.954 -4.926 1.00 0.00 C ATOM 419 NZ LYS A 27 68.973 -2.346 -5.792 1.00 0.00 N ATOM 0 H LYS A 27 62.754 -2.474 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 27 63.262 -0.422 -3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.215 -1.205 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 27 64.602 0.412 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 65.654 -0.488 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.154 -2.116 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.518 -1.970 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.052 -0.369 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 27 68.157 -1.242 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.442 -2.826 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 69.722 -2.768 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 68.653 -3.039 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 69.345 -1.505 -6.277 1.00 0.00 H new ATOM 433 N ALA A 28 61.451 0.414 -6.585 1.00 0.00 N ATOM 434 CA ALA A 28 60.595 1.463 -7.130 1.00 0.00 C ATOM 435 C ALA A 28 59.566 1.899 -6.095 1.00 0.00 C ATOM 436 O ALA A 28 59.306 3.091 -5.926 1.00 0.00 O ATOM 437 CB ALA A 28 59.880 0.955 -8.382 1.00 0.00 C ATOM 0 H ALA A 28 61.433 -0.463 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 28 61.218 2.318 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 28 59.243 1.744 -8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 28 60.618 0.669 -9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.268 0.090 -8.126 1.00 0.00 H new ATOM 443 N LYS A 29 58.982 0.927 -5.401 1.00 0.00 N ATOM 444 CA LYS A 29 57.983 1.223 -4.382 1.00 0.00 C ATOM 445 C LYS A 29 58.611 2.002 -3.230 1.00 0.00 C ATOM 446 O LYS A 29 58.088 3.033 -2.808 1.00 0.00 O ATOM 447 CB LYS A 29 57.377 -0.078 -3.850 1.00 0.00 C ATOM 448 CG LYS A 29 56.401 -0.646 -4.884 1.00 0.00 C ATOM 449 CD LYS A 29 55.787 -1.941 -4.350 1.00 0.00 C ATOM 450 CE LYS A 29 55.375 -2.832 -5.523 1.00 0.00 C ATOM 451 NZ LYS A 29 56.570 -3.553 -6.043 1.00 0.00 N ATOM 0 H LYS A 29 59.182 -0.066 -5.525 1.00 0.00 H new ATOM 0 HA LYS A 29 57.198 1.830 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.166 -0.801 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 29 56.859 0.107 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.616 0.080 -5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 29 56.920 -0.838 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 29 56.505 -2.463 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 29 54.920 -1.716 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 29 54.617 -3.547 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.929 -2.228 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 56.430 -3.776 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 57.412 -2.952 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 56.703 -4.435 -5.508 1.00 0.00 H new ATOM 465 N ILE A 30 59.735 1.502 -2.730 1.00 0.00 N ATOM 466 CA ILE A 30 60.429 2.159 -1.628 1.00 0.00 C ATOM 467 C ILE A 30 60.950 3.526 -2.064 1.00 0.00 C ATOM 468 O ILE A 30 60.976 4.472 -1.278 1.00 0.00 O ATOM 469 CB ILE A 30 61.596 1.297 -1.158 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.054 0.128 -0.336 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.537 2.142 -0.295 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.169 -0.885 -0.095 1.00 0.00 C ATOM 0 H ILE A 30 60.183 0.650 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 30 59.723 2.293 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 30 62.144 0.915 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 30 60.664 0.489 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.225 -0.346 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.372 1.527 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 30 62.916 2.979 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 30 61.994 2.522 0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.783 -1.719 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.538 -1.254 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 30 62.984 -0.407 0.448 1.00 0.00 H new ATOM 484 N GLN A 31 61.370 3.614 -3.321 1.00 0.00 N ATOM 485 CA GLN A 31 61.897 4.863 -3.858 1.00 0.00 C ATOM 486 C GLN A 31 60.809 5.931 -3.922 1.00 0.00 C ATOM 487 O GLN A 31 61.046 7.088 -3.578 1.00 0.00 O ATOM 488 CB GLN A 31 62.460 4.626 -5.260 1.00 0.00 C ATOM 489 CG GLN A 31 62.787 5.968 -5.915 1.00 0.00 C ATOM 490 CD GLN A 31 61.559 6.509 -6.640 1.00 0.00 C ATOM 491 OE1 GLN A 31 60.999 5.834 -7.502 1.00 0.00 O ATOM 492 NE2 GLN A 31 61.111 7.699 -6.344 1.00 0.00 N ATOM 0 H GLN A 31 61.356 2.839 -3.984 1.00 0.00 H new ATOM 0 HA GLN A 31 62.689 5.213 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.357 4.009 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.736 4.081 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 31 63.116 6.680 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.611 5.847 -6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.578 8.256 -5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 31 60.294 8.071 -6.828 1.00 0.00 H new ATOM 501 N ASP A 32 59.624 5.540 -4.373 1.00 0.00 N ATOM 502 CA ASP A 32 58.513 6.479 -4.489 1.00 0.00 C ATOM 503 C ASP A 32 57.898 6.778 -3.124 1.00 0.00 C ATOM 504 O ASP A 32 57.212 7.784 -2.952 1.00 0.00 O ATOM 505 CB ASP A 32 57.442 5.900 -5.416 1.00 0.00 C ATOM 506 CG ASP A 32 56.271 6.871 -5.535 1.00 0.00 C ATOM 507 OD1 ASP A 32 55.551 7.023 -4.562 1.00 0.00 O ATOM 508 OD2 ASP A 32 56.105 7.437 -6.602 1.00 0.00 O ATOM 0 H ASP A 32 59.407 4.586 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 32 58.898 7.411 -4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.867 5.709 -6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 32 57.093 4.943 -5.028 1.00 0.00 H new ATOM 513 N LYS A 33 58.139 5.894 -2.159 1.00 0.00 N ATOM 514 CA LYS A 33 57.588 6.079 -0.820 1.00 0.00 C ATOM 515 C LYS A 33 58.577 6.803 0.091 1.00 0.00 C ATOM 516 O LYS A 33 58.179 7.626 0.917 1.00 0.00 O ATOM 517 CB LYS A 33 57.236 4.722 -0.210 1.00 0.00 C ATOM 518 CG LYS A 33 56.062 4.106 -0.976 1.00 0.00 C ATOM 519 CD LYS A 33 54.820 4.092 -0.082 1.00 0.00 C ATOM 520 CE LYS A 33 53.656 3.448 -0.839 1.00 0.00 C ATOM 521 NZ LYS A 33 52.407 4.219 -0.579 1.00 0.00 N ATOM 0 H LYS A 33 58.704 5.053 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 33 56.689 6.690 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.099 4.058 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 33 56.975 4.841 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 33 55.864 4.679 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 33 56.310 3.091 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.024 3.537 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.559 5.108 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 33 53.869 3.430 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 33 53.530 2.413 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 51.616 3.782 -1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 52.202 4.214 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 52.531 5.200 -0.903 1.00 0.00 H new ATOM 535 N GLU A 34 59.860 6.484 -0.049 1.00 0.00 N ATOM 536 CA GLU A 34 60.887 7.105 0.785 1.00 0.00 C ATOM 537 C GLU A 34 61.636 8.198 0.026 1.00 0.00 C ATOM 538 O GLU A 34 62.418 8.943 0.615 1.00 0.00 O ATOM 539 CB GLU A 34 61.881 6.043 1.259 1.00 0.00 C ATOM 540 CG GLU A 34 61.130 4.937 2.003 1.00 0.00 C ATOM 541 CD GLU A 34 60.517 5.492 3.285 1.00 0.00 C ATOM 542 OE1 GLU A 34 59.359 5.204 3.537 1.00 0.00 O ATOM 543 OE2 GLU A 34 61.217 6.196 3.996 1.00 0.00 O ATOM 0 H GLU A 34 60.212 5.806 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 34 60.392 7.561 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.416 5.624 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 34 62.627 6.494 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.348 4.525 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 34 61.811 4.120 2.240 1.00 0.00 H new ATOM 550 N GLY A 35 61.402 8.289 -1.278 1.00 0.00 N ATOM 551 CA GLY A 35 62.077 9.301 -2.087 1.00 0.00 C ATOM 552 C GLY A 35 63.576 9.027 -2.149 1.00 0.00 C ATOM 553 O GLY A 35 64.378 9.942 -2.331 1.00 0.00 O ATOM 0 H GLY A 35 60.761 7.686 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.661 9.306 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 35 61.900 10.290 -1.664 1.00 0.00 H new ATOM 557 N ILE A 36 63.945 7.760 -1.988 1.00 0.00 N ATOM 558 CA ILE A 36 65.349 7.366 -2.021 1.00 0.00 C ATOM 559 C ILE A 36 65.676 6.648 -3.339 1.00 0.00 C ATOM 560 O ILE A 36 65.355 5.468 -3.490 1.00 0.00 O ATOM 561 CB ILE A 36 65.643 6.425 -0.851 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.184 7.076 0.456 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.147 6.149 -0.781 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.354 6.086 1.610 1.00 0.00 C ATOM 0 H ILE A 36 63.293 6.991 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 36 65.964 8.262 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 36 65.108 5.487 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 36 65.765 7.978 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.140 7.380 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.355 5.479 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.475 5.685 -1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 36 67.683 7.087 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.027 6.551 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 36 64.753 5.197 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 36 66.403 5.803 1.695 1.00 0.00 H new ATOM 576 N PRO A 37 66.296 7.311 -4.294 1.00 0.00 N ATOM 577 CA PRO A 37 66.639 6.674 -5.600 1.00 0.00 C ATOM 578 C PRO A 37 67.273 5.291 -5.411 1.00 0.00 C ATOM 579 O PRO A 37 67.823 4.999 -4.350 1.00 0.00 O ATOM 580 CB PRO A 37 67.629 7.655 -6.230 1.00 0.00 C ATOM 581 CG PRO A 37 67.278 8.984 -5.653 1.00 0.00 C ATOM 582 CD PRO A 37 66.737 8.718 -4.249 1.00 0.00 C ATOM 0 HA PRO A 37 65.760 6.498 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 37 68.658 7.382 -5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 37 67.541 7.661 -7.316 1.00 0.00 H new ATOM 0 HG2 PRO A 37 68.152 9.634 -5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 37 66.532 9.489 -6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 37 67.505 8.871 -3.490 1.00 0.00 H new ATOM 0 HD3 PRO A 37 65.911 9.387 -4.007 1.00 0.00 H new ATOM 590 N PRO A 38 67.208 4.440 -6.410 1.00 0.00 N ATOM 591 CA PRO A 38 67.790 3.068 -6.329 1.00 0.00 C ATOM 592 C PRO A 38 69.316 3.084 -6.337 1.00 0.00 C ATOM 593 O PRO A 38 69.959 2.159 -5.839 1.00 0.00 O ATOM 594 CB PRO A 38 67.247 2.366 -7.576 1.00 0.00 C ATOM 595 CG PRO A 38 66.950 3.458 -8.546 1.00 0.00 C ATOM 596 CD PRO A 38 66.577 4.687 -7.718 1.00 0.00 C ATOM 0 HA PRO A 38 67.519 2.567 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.977 1.667 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 38 66.350 1.791 -7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.816 3.663 -9.176 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.133 3.175 -9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 38 66.950 5.604 -8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.496 4.793 -7.626 1.00 0.00 H new ATOM 604 N ASP A 39 69.890 4.137 -6.908 1.00 0.00 N ATOM 605 CA ASP A 39 71.342 4.259 -6.978 1.00 0.00 C ATOM 606 C ASP A 39 71.926 4.547 -5.599 1.00 0.00 C ATOM 607 O ASP A 39 73.099 4.275 -5.343 1.00 0.00 O ATOM 608 CB ASP A 39 71.726 5.381 -7.943 1.00 0.00 C ATOM 609 CG ASP A 39 71.966 4.808 -9.337 1.00 0.00 C ATOM 610 OD1 ASP A 39 71.057 4.877 -10.148 1.00 0.00 O ATOM 611 OD2 ASP A 39 73.051 4.304 -9.571 1.00 0.00 O ATOM 0 H ASP A 39 69.377 4.913 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 39 71.749 3.314 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 39 70.933 6.128 -7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 39 72.624 5.886 -7.588 1.00 0.00 H new ATOM 616 N GLN A 40 71.101 5.101 -4.714 1.00 0.00 N ATOM 617 CA GLN A 40 71.547 5.424 -3.363 1.00 0.00 C ATOM 618 C GLN A 40 70.985 4.424 -2.358 1.00 0.00 C ATOM 619 O GLN A 40 71.415 4.382 -1.204 1.00 0.00 O ATOM 620 CB GLN A 40 71.094 6.837 -2.988 1.00 0.00 C ATOM 621 CG GLN A 40 72.285 7.791 -3.072 1.00 0.00 C ATOM 622 CD GLN A 40 71.806 9.236 -2.988 1.00 0.00 C ATOM 623 OE1 GLN A 40 72.145 10.053 -3.844 1.00 0.00 O ATOM 624 NE2 GLN A 40 71.036 9.603 -1.999 1.00 0.00 N ATOM 0 H GLN A 40 70.127 5.334 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 40 72.635 5.372 -3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.302 7.167 -3.660 1.00 0.00 H new ATOM 0 HB3 GLN A 40 70.680 6.842 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.984 7.584 -2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.823 7.632 -4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.757 8.924 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.714 10.569 -1.935 1.00 0.00 H new ATOM 633 N GLN A 41 70.025 3.619 -2.802 1.00 0.00 N ATOM 634 CA GLN A 41 69.412 2.624 -1.931 1.00 0.00 C ATOM 635 C GLN A 41 69.973 1.237 -2.237 1.00 0.00 C ATOM 636 O GLN A 41 70.239 0.905 -3.393 1.00 0.00 O ATOM 637 CB GLN A 41 67.891 2.639 -2.130 1.00 0.00 C ATOM 638 CG GLN A 41 67.305 1.251 -1.852 1.00 0.00 C ATOM 639 CD GLN A 41 65.798 1.354 -1.654 1.00 0.00 C ATOM 640 OE1 GLN A 41 65.158 2.248 -2.209 1.00 0.00 O ATOM 641 NE2 GLN A 41 65.187 0.487 -0.894 1.00 0.00 N ATOM 0 H GLN A 41 69.657 3.636 -3.753 1.00 0.00 H new ATOM 0 HA GLN A 41 69.640 2.866 -0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.437 3.373 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.654 2.944 -3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 41 67.526 0.580 -2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.769 0.822 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.718 -0.253 -0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 41 64.178 0.549 -0.759 1.00 0.00 H new ATOM 650 N ARG A 42 70.145 0.434 -1.192 1.00 0.00 N ATOM 651 CA ARG A 42 70.673 -0.918 -1.353 1.00 0.00 C ATOM 652 C ARG A 42 69.842 -1.913 -0.549 1.00 0.00 C ATOM 653 O ARG A 42 69.589 -1.704 0.637 1.00 0.00 O ATOM 654 CB ARG A 42 72.126 -0.970 -0.885 1.00 0.00 C ATOM 655 CG ARG A 42 73.023 -1.367 -2.057 1.00 0.00 C ATOM 656 CD ARG A 42 74.477 -1.413 -1.590 1.00 0.00 C ATOM 657 NE ARG A 42 75.373 -1.535 -2.734 1.00 0.00 N ATOM 658 CZ ARG A 42 75.664 -2.722 -3.256 1.00 0.00 C ATOM 659 NH1 ARG A 42 76.471 -2.804 -4.279 1.00 0.00 N ATOM 660 NH2 ARG A 42 75.143 -3.805 -2.747 1.00 0.00 N ATOM 0 H ARG A 42 69.928 0.693 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 42 70.623 -1.186 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.429 0.001 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.232 -1.688 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.723 -2.340 -2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 42 72.914 -0.651 -2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.714 -0.509 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.622 -2.256 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 42 75.784 -0.695 -3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 42 76.878 -1.957 -4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 42 76.695 -3.715 -4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 42 74.512 -3.741 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 42 75.367 -4.716 -3.148 1.00 0.00 H new ATOM 674 N LEU A 43 69.422 -2.992 -1.203 1.00 0.00 N ATOM 675 CA LEU A 43 68.619 -4.016 -0.538 1.00 0.00 C ATOM 676 C LEU A 43 69.434 -5.287 -0.330 1.00 0.00 C ATOM 677 O LEU A 43 69.866 -5.923 -1.292 1.00 0.00 O ATOM 678 CB LEU A 43 67.380 -4.332 -1.379 1.00 0.00 C ATOM 679 CG LEU A 43 66.162 -3.603 -0.802 1.00 0.00 C ATOM 680 CD1 LEU A 43 64.988 -3.725 -1.775 1.00 0.00 C ATOM 681 CD2 LEU A 43 65.768 -4.223 0.544 1.00 0.00 C ATOM 0 H LEU A 43 69.622 -3.180 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 43 68.311 -3.635 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.543 -4.026 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 43 67.201 -5.407 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 43 66.413 -2.553 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 43 64.121 -3.207 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 43 65.260 -3.278 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 43 64.746 -4.777 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.901 -3.698 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 43 65.521 -5.275 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 43 66.601 -4.137 1.242 1.00 0.00 H new ATOM 693 N ILE A 44 69.638 -5.650 0.935 1.00 0.00 N ATOM 694 CA ILE A 44 70.401 -6.848 1.272 1.00 0.00 C ATOM 695 C ILE A 44 69.508 -7.856 1.991 1.00 0.00 C ATOM 696 O ILE A 44 68.639 -7.478 2.776 1.00 0.00 O ATOM 697 CB ILE A 44 71.590 -6.476 2.167 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.773 -6.036 1.298 1.00 0.00 C ATOM 699 CG2 ILE A 44 72.008 -7.688 3.006 1.00 0.00 C ATOM 700 CD1 ILE A 44 72.384 -4.810 0.470 1.00 0.00 C ATOM 0 H ILE A 44 69.286 -5.133 1.741 1.00 0.00 H new ATOM 0 HA ILE A 44 70.773 -7.298 0.352 1.00 0.00 H new ATOM 0 HB ILE A 44 71.295 -5.660 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.631 -5.803 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 44 73.074 -6.850 0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.853 -7.418 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 44 71.172 -8.004 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 44 72.297 -8.506 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 44 73.230 -4.503 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 44 71.539 -5.058 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 44 72.105 -3.994 1.137 1.00 0.00 H new ATOM 712 N PHE A 45 69.731 -9.137 1.720 1.00 0.00 N ATOM 713 CA PHE A 45 68.939 -10.190 2.350 1.00 0.00 C ATOM 714 C PHE A 45 69.754 -11.472 2.477 1.00 0.00 C ATOM 715 O PHE A 45 70.452 -11.869 1.543 1.00 0.00 O ATOM 716 CB PHE A 45 67.681 -10.460 1.522 1.00 0.00 C ATOM 717 CG PHE A 45 66.849 -11.523 2.199 1.00 0.00 C ATOM 718 CD1 PHE A 45 66.102 -11.206 3.340 1.00 0.00 C ATOM 719 CD2 PHE A 45 66.824 -12.824 1.683 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.330 -12.193 3.967 1.00 0.00 C ATOM 721 CE2 PHE A 45 66.050 -13.810 2.310 1.00 0.00 C ATOM 722 CZ PHE A 45 65.304 -13.494 3.451 1.00 0.00 C ATOM 0 H PHE A 45 70.447 -9.471 1.074 1.00 0.00 H new ATOM 0 HA PHE A 45 68.653 -9.857 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 45 67.101 -9.544 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 45 67.956 -10.784 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.121 -10.202 3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 45 67.400 -13.068 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 45 64.755 -11.950 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.029 -14.814 1.912 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.708 -14.254 3.934 1.00 0.00 H new ATOM 879 N LEU A 56 69.163 -11.623 -5.807 1.00 0.00 N ATOM 880 CA LEU A 56 68.365 -11.576 -4.586 1.00 0.00 C ATOM 881 C LEU A 56 66.995 -12.205 -4.818 1.00 0.00 C ATOM 882 O LEU A 56 66.434 -12.841 -3.927 1.00 0.00 O ATOM 883 CB LEU A 56 68.194 -10.126 -4.129 1.00 0.00 C ATOM 884 CG LEU A 56 69.566 -9.459 -3.995 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.385 -8.005 -3.560 1.00 0.00 C ATOM 886 CD2 LEU A 56 70.400 -10.202 -2.946 1.00 0.00 C ATOM 0 HA LEU A 56 68.885 -12.141 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.582 -9.579 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.670 -10.096 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 56 70.079 -9.493 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 56 70.361 -7.530 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 56 68.794 -7.473 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 56 68.871 -7.974 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 56 71.376 -9.725 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 56 69.887 -10.171 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 56 70.531 -11.239 -3.254 1.00 0.00 H new ATOM 898 N SER A 57 66.461 -12.022 -6.020 1.00 0.00 N ATOM 899 CA SER A 57 65.155 -12.576 -6.358 1.00 0.00 C ATOM 900 C SER A 57 65.220 -14.099 -6.438 1.00 0.00 C ATOM 901 O SER A 57 64.232 -14.787 -6.178 1.00 0.00 O ATOM 902 CB SER A 57 64.682 -12.014 -7.698 1.00 0.00 C ATOM 903 OG SER A 57 65.545 -10.956 -8.094 1.00 0.00 O ATOM 0 H SER A 57 66.908 -11.498 -6.772 1.00 0.00 H new ATOM 0 HA SER A 57 64.450 -12.295 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.679 -12.799 -8.454 1.00 0.00 H new ATOM 0 HB3 SER A 57 63.658 -11.651 -7.612 1.00 0.00 H new ATOM 0 HG SER A 57 65.246 -10.594 -8.954 1.00 0.00 H new ATOM 909 N ASP A 58 66.387 -14.618 -6.808 1.00 0.00 N ATOM 910 CA ASP A 58 66.570 -16.060 -6.930 1.00 0.00 C ATOM 911 C ASP A 58 66.324 -16.762 -5.597 1.00 0.00 C ATOM 912 O ASP A 58 66.199 -17.986 -5.546 1.00 0.00 O ATOM 913 CB ASP A 58 67.990 -16.366 -7.412 1.00 0.00 C ATOM 914 CG ASP A 58 68.030 -17.743 -8.066 1.00 0.00 C ATOM 915 OD1 ASP A 58 67.464 -17.885 -9.137 1.00 0.00 O ATOM 916 OD2 ASP A 58 68.624 -18.636 -7.484 1.00 0.00 O ATOM 0 H ASP A 58 67.216 -14.065 -7.027 1.00 0.00 H new ATOM 0 HA ASP A 58 65.846 -16.431 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.314 -15.606 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.684 -16.332 -6.572 1.00 0.00 H new ATOM 921 N TYR A 59 66.254 -15.986 -4.519 1.00 0.00 N ATOM 922 CA TYR A 59 66.020 -16.561 -3.198 1.00 0.00 C ATOM 923 C TYR A 59 64.526 -16.729 -2.947 1.00 0.00 C ATOM 924 O TYR A 59 64.113 -17.210 -1.891 1.00 0.00 O ATOM 925 CB TYR A 59 66.626 -15.664 -2.116 1.00 0.00 C ATOM 926 CG TYR A 59 68.078 -16.022 -1.919 1.00 0.00 C ATOM 927 CD1 TYR A 59 68.426 -17.141 -1.153 1.00 0.00 C ATOM 928 CD2 TYR A 59 69.079 -15.238 -2.504 1.00 0.00 C ATOM 929 CE1 TYR A 59 69.772 -17.474 -0.970 1.00 0.00 C ATOM 930 CE2 TYR A 59 70.427 -15.570 -2.321 1.00 0.00 C ATOM 931 CZ TYR A 59 70.774 -16.688 -1.554 1.00 0.00 C ATOM 932 OH TYR A 59 72.101 -17.018 -1.374 1.00 0.00 O ATOM 0 H TYR A 59 66.354 -14.971 -4.532 1.00 0.00 H new ATOM 0 HA TYR A 59 66.497 -17.540 -3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 59 66.535 -14.617 -2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 59 66.080 -15.786 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 59 67.654 -17.748 -0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 59 68.811 -14.376 -3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 59 70.039 -18.337 -0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 59 71.199 -14.963 -2.772 1.00 0.00 H new ATOM 0 HH TYR A 59 72.666 -16.371 -1.846 1.00 0.00 H new ATOM 942 N ASN A 60 63.721 -16.336 -3.928 1.00 0.00 N ATOM 943 CA ASN A 60 62.273 -16.449 -3.807 1.00 0.00 C ATOM 944 C ASN A 60 61.789 -15.837 -2.496 1.00 0.00 C ATOM 945 O ASN A 60 61.052 -16.470 -1.742 1.00 0.00 O ATOM 946 CB ASN A 60 61.858 -17.920 -3.869 1.00 0.00 C ATOM 947 CG ASN A 60 60.345 -18.029 -4.017 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.615 -17.933 -3.030 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.825 -18.223 -5.200 1.00 0.00 N ATOM 0 H ASN A 60 64.044 -15.939 -4.810 1.00 0.00 H new ATOM 0 HA ASN A 60 61.817 -15.906 -4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 60 62.350 -18.410 -4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 60 62.181 -18.436 -2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 60 58.813 -18.295 -5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.431 -18.302 -6.017 1.00 0.00 H new ATOM 956 N ILE A 61 62.208 -14.601 -2.234 1.00 0.00 N ATOM 957 CA ILE A 61 61.811 -13.909 -1.011 1.00 0.00 C ATOM 958 C ILE A 61 60.345 -14.188 -0.690 1.00 0.00 C ATOM 959 O ILE A 61 59.477 -14.069 -1.555 1.00 0.00 O ATOM 960 CB ILE A 61 62.026 -12.404 -1.176 1.00 0.00 C ATOM 961 CG1 ILE A 61 63.412 -12.151 -1.774 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.927 -11.716 0.187 1.00 0.00 C ATOM 963 CD1 ILE A 61 63.834 -10.707 -1.495 1.00 0.00 C ATOM 0 H ILE A 61 62.818 -14.061 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 61 62.424 -14.276 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 61 61.261 -12.001 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.137 -12.842 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.395 -12.335 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 61 62.081 -10.644 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.940 -11.895 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 61 62.689 -12.118 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.821 -10.528 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.114 -10.024 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.868 -10.539 -0.419 1.00 0.00 H new ATOM 975 N GLN A 62 60.078 -14.560 0.557 1.00 0.00 N ATOM 976 CA GLN A 62 58.715 -14.856 0.981 1.00 0.00 C ATOM 977 C GLN A 62 58.088 -13.644 1.663 1.00 0.00 C ATOM 978 O GLN A 62 58.733 -12.609 1.829 1.00 0.00 O ATOM 979 CB GLN A 62 58.714 -16.044 1.944 1.00 0.00 C ATOM 980 CG GLN A 62 59.297 -17.270 1.240 1.00 0.00 C ATOM 981 CD GLN A 62 59.183 -18.495 2.141 1.00 0.00 C ATOM 982 OE1 GLN A 62 58.099 -19.056 2.292 1.00 0.00 O ATOM 983 NE2 GLN A 62 60.247 -18.947 2.749 1.00 0.00 N ATOM 0 H GLN A 62 60.782 -14.663 1.288 1.00 0.00 H new ATOM 0 HA GLN A 62 58.127 -15.104 0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.301 -15.807 2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 62 57.698 -16.253 2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 62 58.768 -17.447 0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 62 60.342 -17.091 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 62 61.145 -18.479 2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 62 60.180 -19.768 3.351 1.00 0.00 H new ATOM 992 N LYS A 63 56.825 -13.779 2.053 1.00 0.00 N ATOM 993 CA LYS A 63 56.117 -12.689 2.713 1.00 0.00 C ATOM 994 C LYS A 63 56.514 -12.599 4.185 1.00 0.00 C ATOM 995 O LYS A 63 57.162 -13.499 4.719 1.00 0.00 O ATOM 996 CB LYS A 63 54.607 -12.903 2.599 1.00 0.00 C ATOM 997 CG LYS A 63 54.242 -14.295 3.123 1.00 0.00 C ATOM 998 CD LYS A 63 53.870 -15.199 1.946 1.00 0.00 C ATOM 999 CE LYS A 63 53.763 -16.646 2.430 1.00 0.00 C ATOM 1000 NZ LYS A 63 54.972 -17.406 2.004 1.00 0.00 N ATOM 0 H LYS A 63 56.273 -14.627 1.924 1.00 0.00 H new ATOM 0 HA LYS A 63 56.389 -11.755 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.078 -12.139 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.293 -12.801 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.082 -14.721 3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 63 53.407 -14.226 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 63 52.923 -14.878 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 63 54.623 -15.121 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 63 53.669 -16.671 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 63 52.866 -17.111 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 54.782 -18.426 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 55.208 -17.161 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 55.771 -17.162 2.623 1.00 0.00 H new ATOM 1014 N GLU A 64 56.119 -11.509 4.832 1.00 0.00 N ATOM 1015 CA GLU A 64 56.439 -11.311 6.240 1.00 0.00 C ATOM 1016 C GLU A 64 57.942 -11.430 6.471 1.00 0.00 C ATOM 1017 O GLU A 64 58.388 -11.759 7.570 1.00 0.00 O ATOM 1018 CB GLU A 64 55.706 -12.348 7.095 1.00 0.00 C ATOM 1019 CG GLU A 64 54.398 -12.744 6.407 1.00 0.00 C ATOM 1020 CD GLU A 64 53.391 -13.236 7.442 1.00 0.00 C ATOM 1021 OE1 GLU A 64 53.821 -13.658 8.503 1.00 0.00 O ATOM 1022 OE2 GLU A 64 52.207 -13.186 7.157 1.00 0.00 O ATOM 0 H GLU A 64 55.580 -10.754 4.408 1.00 0.00 H new ATOM 0 HA GLU A 64 56.117 -10.310 6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 64 56.335 -13.227 7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 64 55.500 -11.939 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 64 53.989 -11.890 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 64 54.587 -13.526 5.671 1.00 0.00 H new ATOM 1029 N SER A 65 58.718 -11.163 5.425 1.00 0.00 N ATOM 1030 CA SER A 65 60.171 -11.244 5.523 1.00 0.00 C ATOM 1031 C SER A 65 60.768 -9.871 5.813 1.00 0.00 C ATOM 1032 O SER A 65 60.289 -8.855 5.307 1.00 0.00 O ATOM 1033 CB SER A 65 60.751 -11.788 4.217 1.00 0.00 C ATOM 1034 OG SER A 65 60.621 -13.203 4.199 1.00 0.00 O ATOM 0 H SER A 65 58.368 -10.891 4.506 1.00 0.00 H new ATOM 0 HA SER A 65 60.424 -11.917 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.229 -11.352 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.800 -11.506 4.126 1.00 0.00 H new ATOM 0 HG SER A 65 60.061 -13.470 3.441 1.00 0.00 H new ATOM 1040 N THR A 66 61.815 -9.846 6.630 1.00 0.00 N ATOM 1041 CA THR A 66 62.470 -8.592 6.980 1.00 0.00 C ATOM 1042 C THR A 66 63.654 -8.330 6.053 1.00 0.00 C ATOM 1043 O THR A 66 64.641 -9.066 6.067 1.00 0.00 O ATOM 1044 CB THR A 66 62.957 -8.642 8.430 1.00 0.00 C ATOM 1045 OG1 THR A 66 61.981 -9.294 9.231 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.178 -7.220 8.946 1.00 0.00 C ATOM 0 H THR A 66 62.226 -10.675 7.060 1.00 0.00 H new ATOM 0 HA THR A 66 61.748 -7.783 6.868 1.00 0.00 H new ATOM 0 HB THR A 66 63.897 -9.192 8.480 1.00 0.00 H new ATOM 0 HG1 THR A 66 62.291 -9.329 10.160 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.525 -7.257 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.926 -6.722 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.241 -6.666 8.898 1.00 0.00 H new ATOM 1054 N LEU A 67 63.546 -7.280 5.247 1.00 0.00 N ATOM 1055 CA LEU A 67 64.614 -6.931 4.315 1.00 0.00 C ATOM 1056 C LEU A 67 65.546 -5.894 4.931 1.00 0.00 C ATOM 1057 O LEU A 67 65.110 -5.019 5.681 1.00 0.00 O ATOM 1058 CB LEU A 67 64.015 -6.376 3.020 1.00 0.00 C ATOM 1059 CG LEU A 67 63.709 -7.527 2.059 1.00 0.00 C ATOM 1060 CD1 LEU A 67 62.535 -7.140 1.159 1.00 0.00 C ATOM 1061 CD2 LEU A 67 64.940 -7.810 1.196 1.00 0.00 C ATOM 0 H LEU A 67 62.737 -6.659 5.219 1.00 0.00 H new ATOM 0 HA LEU A 67 65.187 -7.832 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 67 63.103 -5.820 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.711 -5.677 2.556 1.00 0.00 H new ATOM 0 HG LEU A 67 63.451 -8.419 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 67 62.316 -7.959 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 67 61.658 -6.936 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 67 62.793 -6.248 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 67 64.723 -8.630 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 67 65.197 -6.918 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 67 65.778 -8.084 1.837 1.00 0.00 H new ATOM 1073 N HIS A 68 66.832 -5.998 4.611 1.00 0.00 N ATOM 1074 CA HIS A 68 67.820 -5.062 5.140 1.00 0.00 C ATOM 1075 C HIS A 68 68.125 -3.974 4.115 1.00 0.00 C ATOM 1076 O HIS A 68 68.737 -4.238 3.080 1.00 0.00 O ATOM 1077 CB HIS A 68 69.107 -5.806 5.499 1.00 0.00 C ATOM 1078 CG HIS A 68 68.806 -6.861 6.529 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.803 -7.802 6.352 1.00 0.00 N ATOM 1080 CD2 HIS A 68 69.366 -7.135 7.752 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.792 -8.591 7.442 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.723 -8.228 8.327 1.00 0.00 N ATOM 0 H HIS A 68 67.213 -6.715 3.993 1.00 0.00 H new ATOM 0 HA HIS A 68 67.411 -4.597 6.037 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.535 -6.265 4.608 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.848 -5.107 5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 68 70.181 -6.586 8.200 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.112 -9.418 7.584 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.921 -8.659 9.230 1.00 0.00 H new ATOM 1090 N LEU A 69 67.695 -2.752 4.412 1.00 0.00 N ATOM 1091 CA LEU A 69 67.926 -1.630 3.509 1.00 0.00 C ATOM 1092 C LEU A 69 69.155 -0.841 3.943 1.00 0.00 C ATOM 1093 O LEU A 69 69.213 -0.332 5.062 1.00 0.00 O ATOM 1094 CB LEU A 69 66.694 -0.715 3.496 1.00 0.00 C ATOM 1095 CG LEU A 69 66.798 0.308 2.351 1.00 0.00 C ATOM 1096 CD1 LEU A 69 65.445 0.995 2.166 1.00 0.00 C ATOM 1097 CD2 LEU A 69 67.861 1.371 2.664 1.00 0.00 C ATOM 0 H LEU A 69 67.188 -2.514 5.265 1.00 0.00 H new ATOM 0 HA LEU A 69 68.099 -2.017 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.790 -1.313 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.609 -0.195 4.450 1.00 0.00 H new ATOM 0 HG LEU A 69 67.085 -0.217 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.513 1.721 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 69 64.689 0.249 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.167 1.506 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.917 2.083 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 69 67.592 1.896 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 69 68.830 0.889 2.793 1.00 0.00 H new ATOM 1109 N VAL A 70 70.130 -0.741 3.043 1.00 0.00 N ATOM 1110 CA VAL A 70 71.358 -0.006 3.330 1.00 0.00 C ATOM 1111 C VAL A 70 71.480 1.207 2.416 1.00 0.00 C ATOM 1112 O VAL A 70 71.051 1.175 1.263 1.00 0.00 O ATOM 1113 CB VAL A 70 72.573 -0.915 3.138 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.789 -0.291 3.824 1.00 0.00 C ATOM 1115 CG2 VAL A 70 72.287 -2.284 3.759 1.00 0.00 C ATOM 0 H VAL A 70 70.094 -1.158 2.113 1.00 0.00 H new ATOM 0 HA VAL A 70 71.321 0.333 4.365 1.00 0.00 H new ATOM 0 HB VAL A 70 72.775 -1.032 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.655 -0.938 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.993 0.686 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.586 -0.175 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.152 -2.933 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 70 72.086 -2.166 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.419 -2.730 3.273 1.00 0.00 H new ATOM 1125 N LEU A 71 72.068 2.277 2.944 1.00 0.00 N ATOM 1126 CA LEU A 71 72.244 3.504 2.174 1.00 0.00 C ATOM 1127 C LEU A 71 73.713 3.706 1.814 1.00 0.00 C ATOM 1128 O LEU A 71 74.602 3.417 2.613 1.00 0.00 O ATOM 1129 CB LEU A 71 71.749 4.704 2.987 1.00 0.00 C ATOM 1130 CG LEU A 71 70.342 5.094 2.526 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.679 5.962 3.596 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.432 5.882 1.216 1.00 0.00 C ATOM 0 H LEU A 71 72.429 2.319 3.897 1.00 0.00 H new ATOM 0 HA LEU A 71 71.664 3.420 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 71 71.739 4.457 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 71 72.430 5.546 2.862 1.00 0.00 H new ATOM 0 HG LEU A 71 69.750 4.193 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.677 6.241 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 71 69.614 5.403 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 71 70.273 6.862 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 71 69.430 6.159 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 71 71.025 6.783 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 71 70.906 5.265 0.452 1.00 0.00 H new ATOM 1144 N ARG A 72 73.955 4.206 0.606 1.00 0.00 N ATOM 1145 CA ARG A 72 75.319 4.448 0.147 1.00 0.00 C ATOM 1146 C ARG A 72 75.639 5.938 0.183 1.00 0.00 C ATOM 1147 O ARG A 72 75.231 6.692 -0.701 1.00 0.00 O ATOM 1148 CB ARG A 72 75.490 3.922 -1.279 1.00 0.00 C ATOM 1149 CG ARG A 72 75.680 2.404 -1.246 1.00 0.00 C ATOM 1150 CD ARG A 72 77.173 2.075 -1.301 1.00 0.00 C ATOM 1151 NE ARG A 72 77.386 0.658 -1.035 1.00 0.00 N ATOM 1152 CZ ARG A 72 77.241 0.160 0.188 1.00 0.00 C ATOM 1153 NH1 ARG A 72 77.438 -1.113 0.404 1.00 0.00 N ATOM 1154 NH2 ARG A 72 76.901 0.942 1.176 1.00 0.00 N ATOM 0 H ARG A 72 73.230 4.450 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 72 76.005 3.924 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 72 74.616 4.176 -1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 72 76.350 4.396 -1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 72 75.239 1.991 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 72 75.164 1.944 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 72 77.574 2.333 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 72 77.712 2.675 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 72 77.651 0.038 -1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 72 77.704 -1.726 -0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 72 77.326 -1.494 1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 72 76.746 1.936 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 72 76.790 0.559 2.115 1.00 0.00 H new