USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 37 LYS NZ :NH3+ 139:sc= 0.749 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 0.862 K(o=1.6,f=-3.1) USER MOD Set 2.1: A 11 CYS SG : rot -120:sc= -5.23! USER MOD Set 2.2: A 17 HIS :FLIP no HE2:sc= -0.24 F(o=-6.7,f=-5.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.17 (180deg=0.926) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 0.991 (180deg=0.921) USER MOD Single : A 4 LYS NZ :NH3+ 143:sc= 1.39 (180deg=-0.87) USER MOD Single : A 9 CYS SG : rot 150:sc= -0.165 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -16:sc= -0.324 USER MOD Single : A 20 MET CE :methyl -123:sc= -1.35 (180deg=-2.76!) USER MOD Single : A 23 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 34 TYR OH : rot 83:sc= -0.774 USER MOD Single : A 40 THR OG1 : rot -110:sc= -1.1 USER MOD Single : A 41 GLN : amide:sc= -1.65 K(o=-1.7,f=-6.8!) USER MOD Single : A 47 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.13) USER MOD Single : A 51 THR OG1 : rot -68:sc= 0.724 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0276 F(o=-1.3!,f=-0.028) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.137 K(o=-0.14,f=-2.2!) USER MOD Single : A 64 SER OG : rot 90:sc= -1.57 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 86 GLN : amide:sc= -0.395 X(o=-0.4,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -134:sc= -0.305 (180deg=-2.07!) USER MOD Single : A 91 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.1!) USER MOD Single : A 97 LYS NZ :NH3+ -130:sc= 1.29 (180deg=0.757) USER MOD Single : A 102 MET CE :methyl -173:sc= -0.713 (180deg=-0.848) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0228 X(o=-0.023,f=-0.23) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.123 0.431 0.403 1.00 0.00 N ATOM 2 CA MET A 1 2.877 0.908 -0.778 1.00 0.00 C ATOM 3 C MET A 1 4.068 -0.024 -1.045 1.00 0.00 C ATOM 4 O MET A 1 4.753 -0.440 -0.106 1.00 0.00 O ATOM 5 CB MET A 1 3.332 2.383 -0.578 1.00 0.00 C ATOM 6 CG MET A 1 2.194 3.417 -0.659 1.00 0.00 C ATOM 7 SD MET A 1 0.868 3.103 0.531 1.00 0.00 S ATOM 8 CE MET A 1 -0.332 4.364 0.093 1.00 0.00 C ATOM 0 H1 MET A 1 1.402 1.135 0.662 1.00 0.00 H new ATOM 0 H2 MET A 1 1.660 -0.472 0.177 1.00 0.00 H new ATOM 0 H3 MET A 1 2.777 0.295 1.201 1.00 0.00 H new ATOM 0 HA MET A 1 2.228 0.886 -1.653 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.818 2.472 0.393 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.080 2.625 -1.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.602 4.413 -0.486 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.779 3.414 -1.667 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.199 4.284 0.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.119 5.350 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.645 4.225 -0.942 1.00 0.00 H new ATOM 18 N SER A 2 4.299 -0.350 -2.331 1.00 0.00 N ATOM 19 CA SER A 2 5.321 -1.316 -2.758 1.00 0.00 C ATOM 20 C SER A 2 6.751 -0.802 -2.452 1.00 0.00 C ATOM 21 O SER A 2 7.170 0.253 -2.944 1.00 0.00 O ATOM 22 CB SER A 2 5.145 -1.618 -4.263 1.00 0.00 C ATOM 23 OG SER A 2 3.820 -2.059 -4.552 1.00 0.00 O ATOM 0 H SER A 2 3.775 0.055 -3.107 1.00 0.00 H new ATOM 0 HA SER A 2 5.189 -2.239 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.367 -0.723 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.860 -2.382 -4.569 1.00 0.00 H new ATOM 0 HG SER A 2 3.738 -2.241 -5.511 1.00 0.00 H new ATOM 29 N LYS A 3 7.472 -1.567 -1.620 1.00 0.00 N ATOM 30 CA LYS A 3 8.830 -1.224 -1.140 1.00 0.00 C ATOM 31 C LYS A 3 9.912 -1.948 -1.960 1.00 0.00 C ATOM 32 O LYS A 3 9.605 -2.735 -2.869 1.00 0.00 O ATOM 33 CB LYS A 3 8.939 -1.548 0.377 1.00 0.00 C ATOM 34 CG LYS A 3 8.385 -2.928 0.768 1.00 0.00 C ATOM 35 CD LYS A 3 8.302 -3.125 2.299 1.00 0.00 C ATOM 36 CE LYS A 3 7.818 -4.530 2.669 1.00 0.00 C ATOM 37 NZ LYS A 3 7.604 -4.699 4.131 1.00 0.00 N ATOM 0 H LYS A 3 7.129 -2.455 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 3 8.999 -0.156 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.986 -1.492 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.406 -0.782 0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.392 -3.052 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.019 -3.704 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.283 -2.951 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.625 -2.384 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.886 -4.738 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.548 -5.263 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.182 -5.631 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.516 -4.629 4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.964 -3.955 4.477 1.00 0.00 H new ATOM 51 N LYS A 4 11.187 -1.683 -1.620 1.00 0.00 N ATOM 52 CA LYS A 4 12.344 -2.185 -2.390 1.00 0.00 C ATOM 53 C LYS A 4 13.538 -2.449 -1.427 1.00 0.00 C ATOM 54 O LYS A 4 13.836 -1.645 -0.541 1.00 0.00 O ATOM 55 CB LYS A 4 12.689 -1.157 -3.524 1.00 0.00 C ATOM 56 CG LYS A 4 13.244 -1.733 -4.850 1.00 0.00 C ATOM 57 CD LYS A 4 14.655 -2.337 -4.748 1.00 0.00 C ATOM 58 CE LYS A 4 15.170 -2.826 -6.111 1.00 0.00 C ATOM 59 NZ LYS A 4 15.017 -1.792 -7.175 1.00 0.00 N ATOM 0 H LYS A 4 11.445 -1.119 -0.810 1.00 0.00 H new ATOM 0 HA LYS A 4 12.109 -3.135 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.787 -0.589 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.419 -0.450 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.560 -2.501 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.256 -0.940 -5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.341 -1.591 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.643 -3.170 -4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.221 -3.101 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.628 -3.726 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.834 -1.832 -7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.145 -1.973 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.965 -0.850 -6.738 1.00 0.00 H new ATOM 73 N LEU A 5 14.196 -3.601 -1.607 1.00 0.00 N ATOM 74 CA LEU A 5 15.377 -4.019 -0.831 1.00 0.00 C ATOM 75 C LEU A 5 16.475 -4.417 -1.807 1.00 0.00 C ATOM 76 O LEU A 5 16.208 -5.050 -2.832 1.00 0.00 O ATOM 77 CB LEU A 5 15.020 -5.205 0.121 1.00 0.00 C ATOM 78 CG LEU A 5 16.155 -5.754 1.080 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.574 -6.268 2.413 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.994 -6.885 0.439 1.00 0.00 C ATOM 0 H LEU A 5 13.919 -4.285 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 5 15.722 -3.195 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.180 -4.894 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.672 -6.035 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 5 16.809 -4.902 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.383 -6.637 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.058 -5.454 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.871 -7.077 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.754 -7.219 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.343 -7.721 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.476 -6.513 -0.465 1.00 0.00 H new ATOM 92 N ILE A 6 17.706 -4.024 -1.507 1.00 0.00 N ATOM 93 CA ILE A 6 18.884 -4.466 -2.251 1.00 0.00 C ATOM 94 C ILE A 6 19.920 -4.997 -1.260 1.00 0.00 C ATOM 95 O ILE A 6 19.793 -4.801 -0.041 1.00 0.00 O ATOM 96 CB ILE A 6 19.499 -3.322 -3.146 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.208 -2.238 -2.282 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.414 -2.691 -4.059 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.916 -1.163 -3.072 1.00 0.00 C ATOM 0 H ILE A 6 17.919 -3.388 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 6 18.580 -5.257 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 6 20.257 -3.774 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.467 -1.767 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.932 -2.728 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.862 -1.905 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.995 -3.458 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.622 -2.266 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.380 -0.454 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.684 -1.618 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.196 -0.641 -3.702 1.00 0.00 H new ATOM 111 N ALA A 7 20.941 -5.666 -1.786 1.00 0.00 N ATOM 112 CA ALA A 7 22.047 -6.190 -0.982 1.00 0.00 C ATOM 113 C ALA A 7 23.303 -6.326 -1.840 1.00 0.00 C ATOM 114 O ALA A 7 23.248 -6.209 -3.067 1.00 0.00 O ATOM 115 CB ALA A 7 21.660 -7.535 -0.331 1.00 0.00 C ATOM 0 H ALA A 7 21.028 -5.862 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 7 22.261 -5.487 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.496 -7.906 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.793 -7.391 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.417 -8.259 -1.109 1.00 0.00 H new ATOM 121 N LEU A 8 24.431 -6.577 -1.180 1.00 0.00 N ATOM 122 CA LEU A 8 25.718 -6.787 -1.842 1.00 0.00 C ATOM 123 C LEU A 8 26.431 -7.914 -1.099 1.00 0.00 C ATOM 124 O LEU A 8 26.742 -7.782 0.085 1.00 0.00 O ATOM 125 CB LEU A 8 26.566 -5.469 -1.862 1.00 0.00 C ATOM 126 CG LEU A 8 27.722 -5.359 -2.931 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.308 -3.932 -2.972 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.856 -6.385 -2.698 1.00 0.00 C ATOM 0 H LEU A 8 24.479 -6.641 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 8 25.574 -7.065 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.884 -4.633 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.009 -5.339 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 8 27.265 -5.589 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.102 -3.886 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.522 -3.223 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.714 -3.677 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.622 -6.261 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.297 -6.223 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.450 -7.395 -2.751 1.00 0.00 H new ATOM 140 N CYS A 9 26.665 -9.022 -1.801 1.00 0.00 N ATOM 141 CA CYS A 9 27.383 -10.174 -1.270 1.00 0.00 C ATOM 142 C CYS A 9 28.784 -10.215 -1.897 1.00 0.00 C ATOM 143 O CYS A 9 28.893 -10.396 -3.101 1.00 0.00 O ATOM 144 CB CYS A 9 26.581 -11.452 -1.572 1.00 0.00 C ATOM 145 SG CYS A 9 24.914 -11.447 -0.868 1.00 0.00 S ATOM 0 H CYS A 9 26.357 -9.144 -2.766 1.00 0.00 H new ATOM 0 HA CYS A 9 27.496 -10.099 -0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.509 -11.579 -2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.127 -12.313 -1.185 1.00 0.00 H new ATOM 0 HG CYS A 9 24.123 -12.151 -1.622 1.00 0.00 H new ATOM 151 N ALA A 10 29.848 -10.040 -1.080 1.00 0.00 N ATOM 152 CA ALA A 10 31.249 -9.965 -1.583 1.00 0.00 C ATOM 153 C ALA A 10 32.182 -10.922 -0.808 1.00 0.00 C ATOM 154 O ALA A 10 32.362 -10.782 0.407 1.00 0.00 O ATOM 155 CB ALA A 10 31.785 -8.523 -1.529 1.00 0.00 C ATOM 0 H ALA A 10 29.768 -9.947 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 10 31.235 -10.283 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.809 -8.501 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.160 -7.879 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.767 -8.166 -0.499 1.00 0.00 H new ATOM 161 N CYS A 11 32.747 -11.911 -1.530 1.00 0.00 N ATOM 162 CA CYS A 11 33.741 -12.871 -1.002 1.00 0.00 C ATOM 163 C CYS A 11 35.002 -12.836 -1.878 1.00 0.00 C ATOM 164 O CYS A 11 34.889 -12.737 -3.098 1.00 0.00 O ATOM 165 CB CYS A 11 33.168 -14.317 -0.941 1.00 0.00 C ATOM 166 SG CYS A 11 32.368 -14.722 0.626 1.00 0.00 S ATOM 0 H CYS A 11 32.523 -12.069 -2.512 1.00 0.00 H new ATOM 0 HA CYS A 11 33.992 -12.576 0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.448 -14.446 -1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.977 -15.026 -1.118 1.00 0.00 H new ATOM 0 HG CYS A 11 32.974 -15.733 1.174 1.00 0.00 H new ATOM 172 N PRO A 12 36.229 -12.974 -1.273 1.00 0.00 N ATOM 173 CA PRO A 12 37.509 -12.920 -2.034 1.00 0.00 C ATOM 174 C PRO A 12 37.797 -14.231 -2.800 1.00 0.00 C ATOM 175 O PRO A 12 38.753 -14.311 -3.580 1.00 0.00 O ATOM 176 CB PRO A 12 38.550 -12.675 -0.918 1.00 0.00 C ATOM 177 CG PRO A 12 37.980 -13.384 0.273 1.00 0.00 C ATOM 178 CD PRO A 12 36.473 -13.215 0.183 1.00 0.00 C ATOM 0 HA PRO A 12 37.508 -12.155 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.527 -13.074 -1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.683 -11.611 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.255 -14.439 0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.365 -12.960 1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.949 -14.103 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.127 -12.379 0.791 1.00 0.00 H new ATOM 186 N MET A 13 36.955 -15.250 -2.554 1.00 0.00 N ATOM 187 CA MET A 13 37.072 -16.586 -3.155 1.00 0.00 C ATOM 188 C MET A 13 36.501 -16.573 -4.586 1.00 0.00 C ATOM 189 O MET A 13 37.157 -17.020 -5.535 1.00 0.00 O ATOM 190 CB MET A 13 36.325 -17.618 -2.256 1.00 0.00 C ATOM 191 CG MET A 13 36.834 -17.664 -0.804 1.00 0.00 C ATOM 192 SD MET A 13 35.827 -18.719 0.263 1.00 0.00 S ATOM 193 CE MET A 13 36.639 -18.511 1.852 1.00 0.00 C ATOM 0 H MET A 13 36.160 -15.164 -1.920 1.00 0.00 H new ATOM 0 HA MET A 13 38.121 -16.875 -3.219 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.262 -17.378 -2.250 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.425 -18.610 -2.697 1.00 0.00 H new ATOM 0 HG2 MET A 13 37.863 -18.025 -0.796 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.848 -16.653 -0.397 1.00 0.00 H new ATOM 0 HE1 MET A 13 36.123 -19.106 2.605 1.00 0.00 H new ATOM 0 HE2 MET A 13 37.675 -18.841 1.777 1.00 0.00 H new ATOM 0 HE3 MET A 13 36.613 -17.460 2.139 1.00 0.00 H new ATOM 203 N GLY A 14 35.285 -16.021 -4.726 1.00 0.00 N ATOM 204 CA GLY A 14 34.592 -15.972 -6.015 1.00 0.00 C ATOM 205 C GLY A 14 33.097 -15.714 -5.869 1.00 0.00 C ATOM 206 O GLY A 14 32.620 -15.379 -4.773 1.00 0.00 O ATOM 0 H GLY A 14 34.763 -15.602 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 14 35.033 -15.188 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.744 -16.914 -6.541 1.00 0.00 H new ATOM 210 N LEU A 15 32.356 -15.890 -6.980 1.00 0.00 N ATOM 211 CA LEU A 15 30.909 -15.612 -7.043 1.00 0.00 C ATOM 212 C LEU A 15 30.041 -16.769 -6.513 1.00 0.00 C ATOM 213 O LEU A 15 28.881 -16.549 -6.204 1.00 0.00 O ATOM 214 CB LEU A 15 30.488 -15.240 -8.490 1.00 0.00 C ATOM 215 CG LEU A 15 30.956 -13.841 -9.005 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.489 -13.589 -10.462 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.469 -12.715 -8.061 1.00 0.00 C ATOM 0 H LEU A 15 32.745 -16.229 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 15 30.732 -14.764 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.876 -16.002 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.401 -15.282 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 15 32.046 -13.835 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.831 -12.607 -10.789 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.906 -14.355 -11.115 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.401 -13.627 -10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.807 -11.751 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.380 -12.725 -8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.877 -12.875 -7.063 1.00 0.00 H new ATOM 229 N ALA A 16 30.595 -17.983 -6.404 1.00 0.00 N ATOM 230 CA ALA A 16 29.829 -19.165 -5.931 1.00 0.00 C ATOM 231 C ALA A 16 29.310 -18.955 -4.487 1.00 0.00 C ATOM 232 O ALA A 16 28.124 -19.195 -4.179 1.00 0.00 O ATOM 233 CB ALA A 16 30.702 -20.424 -6.027 1.00 0.00 C ATOM 0 H ALA A 16 31.569 -18.182 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 16 28.957 -19.294 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.135 -21.287 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 16 31.002 -20.581 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.590 -20.299 -5.407 1.00 0.00 H new ATOM 239 N HIS A 17 30.215 -18.445 -3.635 1.00 0.00 N ATOM 240 CA HIS A 17 29.951 -18.179 -2.211 1.00 0.00 C ATOM 241 C HIS A 17 28.894 -17.067 -2.064 1.00 0.00 C ATOM 242 O HIS A 17 27.980 -17.139 -1.219 1.00 0.00 O ATOM 243 CB HIS A 17 31.281 -17.753 -1.514 1.00 0.00 C ATOM 244 CG HIS A 17 31.362 -18.070 -0.036 1.00 0.00 C ATOM 245 ND1 HIS A 17 32.415 -18.470 0.723 1.00 0.00 N flip ATOM 246 CD2 HIS A 17 30.285 -18.035 0.819 1.00 0.00 C flip ATOM 247 CE1 HIS A 17 31.957 -18.649 2.000 1.00 0.00 C flip ATOM 248 NE2 HIS A 17 30.672 -18.380 2.029 1.00 0.00 N flip ATOM 0 H HIS A 17 31.164 -18.203 -3.920 1.00 0.00 H new ATOM 0 HA HIS A 17 29.567 -19.083 -1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 17 32.112 -18.244 -2.021 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.415 -16.680 -1.647 1.00 0.00 H new ATOM 0 HD1 HIS A 17 33.372 -18.611 0.400 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.277 -17.766 0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 17 32.554 -18.960 2.845 1.00 0.00 H new ATOM 257 N THR A 18 29.037 -16.048 -2.927 1.00 0.00 N ATOM 258 CA THR A 18 28.196 -14.856 -2.918 1.00 0.00 C ATOM 259 C THR A 18 26.782 -15.174 -3.435 1.00 0.00 C ATOM 260 O THR A 18 25.822 -14.556 -3.000 1.00 0.00 O ATOM 261 CB THR A 18 28.832 -13.720 -3.779 1.00 0.00 C ATOM 262 OG1 THR A 18 28.872 -14.091 -5.153 1.00 0.00 O ATOM 263 CG2 THR A 18 30.258 -13.386 -3.337 1.00 0.00 C ATOM 0 H THR A 18 29.750 -16.036 -3.656 1.00 0.00 H new ATOM 0 HA THR A 18 28.121 -14.514 -1.886 1.00 0.00 H new ATOM 0 HB THR A 18 28.202 -12.842 -3.637 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.738 -15.058 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.657 -12.590 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.249 -13.057 -2.298 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.885 -14.272 -3.432 1.00 0.00 H new ATOM 271 N PHE A 19 26.679 -16.146 -4.374 1.00 0.00 N ATOM 272 CA PHE A 19 25.388 -16.590 -4.938 1.00 0.00 C ATOM 273 C PHE A 19 24.554 -17.336 -3.886 1.00 0.00 C ATOM 274 O PHE A 19 23.331 -17.285 -3.936 1.00 0.00 O ATOM 275 CB PHE A 19 25.569 -17.490 -6.197 1.00 0.00 C ATOM 276 CG PHE A 19 26.070 -16.788 -7.466 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.809 -15.439 -7.700 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.797 -17.493 -8.433 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.260 -14.817 -8.846 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.245 -16.867 -9.580 1.00 0.00 C ATOM 281 CZ PHE A 19 26.976 -15.531 -9.787 1.00 0.00 C ATOM 0 H PHE A 19 27.485 -16.639 -4.757 1.00 0.00 H new ATOM 0 HA PHE A 19 24.859 -15.688 -5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.268 -18.289 -5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.612 -17.961 -6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.245 -14.872 -6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.010 -18.541 -8.280 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.053 -13.769 -9.008 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.806 -17.425 -10.315 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.325 -15.043 -10.685 1.00 0.00 H new ATOM 291 N MET A 20 25.231 -18.046 -2.957 1.00 0.00 N ATOM 292 CA MET A 20 24.548 -18.719 -1.822 1.00 0.00 C ATOM 293 C MET A 20 23.956 -17.683 -0.844 1.00 0.00 C ATOM 294 O MET A 20 22.835 -17.854 -0.346 1.00 0.00 O ATOM 295 CB MET A 20 25.506 -19.683 -1.072 1.00 0.00 C ATOM 296 CG MET A 20 26.087 -20.808 -1.942 1.00 0.00 C ATOM 297 SD MET A 20 27.032 -22.024 -0.992 1.00 0.00 S ATOM 298 CE MET A 20 28.237 -20.997 -0.148 1.00 0.00 C ATOM 0 H MET A 20 26.243 -18.170 -2.967 1.00 0.00 H new ATOM 0 HA MET A 20 23.733 -19.311 -2.237 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.328 -19.104 -0.652 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.970 -20.129 -0.234 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.273 -21.314 -2.462 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.731 -20.373 -2.706 1.00 0.00 H new ATOM 0 HE1 MET A 20 29.242 -21.338 -0.395 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.117 -19.961 -0.464 1.00 0.00 H new ATOM 0 HE3 MET A 20 28.085 -21.068 0.929 1.00 0.00 H new ATOM 308 N ALA A 21 24.728 -16.606 -0.588 1.00 0.00 N ATOM 309 CA ALA A 21 24.266 -15.465 0.239 1.00 0.00 C ATOM 310 C ALA A 21 23.127 -14.701 -0.464 1.00 0.00 C ATOM 311 O ALA A 21 22.169 -14.258 0.181 1.00 0.00 O ATOM 312 CB ALA A 21 25.442 -14.527 0.544 1.00 0.00 C ATOM 0 H ALA A 21 25.678 -16.500 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 21 23.875 -15.854 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 21 25.093 -13.692 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.212 -15.074 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.857 -14.148 -0.390 1.00 0.00 H new ATOM 318 N ALA A 22 23.253 -14.583 -1.797 1.00 0.00 N ATOM 319 CA ALA A 22 22.275 -13.909 -2.654 1.00 0.00 C ATOM 320 C ALA A 22 20.967 -14.703 -2.715 1.00 0.00 C ATOM 321 O ALA A 22 19.900 -14.119 -2.691 1.00 0.00 O ATOM 322 CB ALA A 22 22.850 -13.704 -4.065 1.00 0.00 C ATOM 0 H ALA A 22 24.049 -14.960 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 22 22.058 -12.932 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.111 -13.202 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.750 -13.093 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.097 -14.672 -4.502 1.00 0.00 H new ATOM 328 N GLN A 23 21.081 -16.041 -2.766 1.00 0.00 N ATOM 329 CA GLN A 23 19.926 -16.960 -2.825 1.00 0.00 C ATOM 330 C GLN A 23 19.089 -16.841 -1.543 1.00 0.00 C ATOM 331 O GLN A 23 17.854 -16.774 -1.593 1.00 0.00 O ATOM 332 CB GLN A 23 20.427 -18.419 -3.022 1.00 0.00 C ATOM 333 CG GLN A 23 19.324 -19.503 -3.053 1.00 0.00 C ATOM 334 CD GLN A 23 18.294 -19.341 -4.182 1.00 0.00 C ATOM 335 OE1 GLN A 23 17.130 -19.698 -4.011 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.711 -18.849 -5.345 1.00 0.00 N ATOM 0 H GLN A 23 21.981 -16.520 -2.768 1.00 0.00 H new ATOM 0 HA GLN A 23 19.294 -16.690 -3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.988 -18.469 -3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.124 -18.657 -2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.797 -20.480 -3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.799 -19.495 -2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.683 -18.561 -5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.059 -18.760 -6.124 1.00 0.00 H new ATOM 345 N ALA A 24 19.804 -16.786 -0.409 1.00 0.00 N ATOM 346 CA ALA A 24 19.211 -16.662 0.922 1.00 0.00 C ATOM 347 C ALA A 24 18.396 -15.354 1.063 1.00 0.00 C ATOM 348 O ALA A 24 17.182 -15.391 1.334 1.00 0.00 O ATOM 349 CB ALA A 24 20.334 -16.747 1.973 1.00 0.00 C ATOM 0 H ALA A 24 20.823 -16.827 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 24 18.507 -17.479 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.906 -16.656 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.844 -17.706 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.048 -15.939 1.809 1.00 0.00 H new ATOM 355 N LEU A 25 19.072 -14.209 0.848 1.00 0.00 N ATOM 356 CA LEU A 25 18.467 -12.866 1.019 1.00 0.00 C ATOM 357 C LEU A 25 17.369 -12.589 -0.018 1.00 0.00 C ATOM 358 O LEU A 25 16.428 -11.841 0.265 1.00 0.00 O ATOM 359 CB LEU A 25 19.551 -11.765 0.934 1.00 0.00 C ATOM 360 CG LEU A 25 20.598 -11.751 2.083 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.692 -10.699 1.817 1.00 0.00 C ATOM 362 CD2 LEU A 25 19.926 -11.512 3.459 1.00 0.00 C ATOM 0 H LEU A 25 20.048 -14.184 0.552 1.00 0.00 H new ATOM 0 HA LEU A 25 18.007 -12.850 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.080 -11.876 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.055 -10.795 0.909 1.00 0.00 H new ATOM 0 HG LEU A 25 21.069 -12.733 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.412 -10.709 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.201 -10.932 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.237 -9.711 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.687 -11.508 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.410 -10.552 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.208 -12.308 3.656 1.00 0.00 H new ATOM 374 N GLU A 26 17.516 -13.177 -1.222 1.00 0.00 N ATOM 375 CA GLU A 26 16.550 -13.009 -2.322 1.00 0.00 C ATOM 376 C GLU A 26 15.189 -13.559 -1.902 1.00 0.00 C ATOM 377 O GLU A 26 14.224 -12.799 -1.790 1.00 0.00 O ATOM 378 CB GLU A 26 17.056 -13.703 -3.614 1.00 0.00 C ATOM 379 CG GLU A 26 16.139 -13.561 -4.845 1.00 0.00 C ATOM 380 CD GLU A 26 16.753 -14.159 -6.123 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.536 -13.459 -6.797 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.463 -15.327 -6.454 1.00 0.00 O ATOM 0 H GLU A 26 18.305 -13.779 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 26 16.446 -11.946 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.036 -13.297 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.194 -14.764 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.188 -14.052 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.924 -12.505 -5.011 1.00 0.00 H new ATOM 389 N GLU A 27 15.169 -14.872 -1.606 1.00 0.00 N ATOM 390 CA GLU A 27 13.968 -15.609 -1.174 1.00 0.00 C ATOM 391 C GLU A 27 13.256 -14.901 -0.005 1.00 0.00 C ATOM 392 O GLU A 27 12.074 -14.575 -0.107 1.00 0.00 O ATOM 393 CB GLU A 27 14.362 -17.064 -0.787 1.00 0.00 C ATOM 394 CG GLU A 27 14.859 -17.936 -1.958 1.00 0.00 C ATOM 395 CD GLU A 27 13.753 -18.293 -2.967 1.00 0.00 C ATOM 396 OE1 GLU A 27 13.052 -19.314 -2.769 1.00 0.00 O ATOM 397 OE2 GLU A 27 13.557 -17.549 -3.951 1.00 0.00 O ATOM 0 H GLU A 27 16.001 -15.460 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 27 13.263 -15.638 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.142 -17.024 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.499 -17.550 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.659 -17.410 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.288 -18.856 -1.560 1.00 0.00 H new ATOM 404 N ALA A 28 14.032 -14.592 1.045 1.00 0.00 N ATOM 405 CA ALA A 28 13.518 -14.012 2.305 1.00 0.00 C ATOM 406 C ALA A 28 12.875 -12.618 2.099 1.00 0.00 C ATOM 407 O ALA A 28 11.833 -12.322 2.693 1.00 0.00 O ATOM 408 CB ALA A 28 14.645 -13.942 3.348 1.00 0.00 C ATOM 0 H ALA A 28 15.042 -14.737 1.048 1.00 0.00 H new ATOM 0 HA ALA A 28 12.728 -14.669 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.259 -13.514 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.023 -14.946 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.453 -13.317 2.969 1.00 0.00 H new ATOM 414 N ALA A 29 13.502 -11.784 1.244 1.00 0.00 N ATOM 415 CA ALA A 29 13.012 -10.418 0.948 1.00 0.00 C ATOM 416 C ALA A 29 11.767 -10.430 0.040 1.00 0.00 C ATOM 417 O ALA A 29 10.938 -9.516 0.113 1.00 0.00 O ATOM 418 CB ALA A 29 14.125 -9.576 0.323 1.00 0.00 C ATOM 0 H ALA A 29 14.354 -12.033 0.742 1.00 0.00 H new ATOM 0 HA ALA A 29 12.714 -9.968 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.749 -8.575 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.964 -9.510 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.457 -10.042 -0.605 1.00 0.00 H new ATOM 424 N VAL A 30 11.630 -11.474 -0.802 1.00 0.00 N ATOM 425 CA VAL A 30 10.436 -11.655 -1.656 1.00 0.00 C ATOM 426 C VAL A 30 9.210 -11.873 -0.756 1.00 0.00 C ATOM 427 O VAL A 30 8.152 -11.259 -0.954 1.00 0.00 O ATOM 428 CB VAL A 30 10.596 -12.879 -2.638 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.283 -13.193 -3.400 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.741 -12.645 -3.649 1.00 0.00 C ATOM 0 H VAL A 30 12.332 -12.206 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 30 10.311 -10.759 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 30 10.842 -13.740 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.442 -14.043 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.496 -13.433 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.987 -12.324 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.824 -13.507 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.529 -11.754 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.679 -12.509 -3.111 1.00 0.00 H new ATOM 440 N GLU A 31 9.404 -12.730 0.262 1.00 0.00 N ATOM 441 CA GLU A 31 8.359 -13.085 1.233 1.00 0.00 C ATOM 442 C GLU A 31 8.051 -11.887 2.153 1.00 0.00 C ATOM 443 O GLU A 31 6.911 -11.700 2.580 1.00 0.00 O ATOM 444 CB GLU A 31 8.798 -14.316 2.066 1.00 0.00 C ATOM 445 CG GLU A 31 9.411 -15.456 1.227 1.00 0.00 C ATOM 446 CD GLU A 31 9.618 -16.748 2.030 1.00 0.00 C ATOM 447 OE1 GLU A 31 10.650 -16.867 2.719 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.739 -17.639 1.994 1.00 0.00 O ATOM 0 H GLU A 31 10.295 -13.197 0.433 1.00 0.00 H new ATOM 0 HA GLU A 31 7.449 -13.342 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.526 -13.996 2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.934 -14.702 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.761 -15.664 0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.369 -15.128 0.824 1.00 0.00 H new ATOM 455 N ALA A 32 9.093 -11.075 2.423 1.00 0.00 N ATOM 456 CA ALA A 32 8.983 -9.842 3.225 1.00 0.00 C ATOM 457 C ALA A 32 8.261 -8.720 2.448 1.00 0.00 C ATOM 458 O ALA A 32 7.798 -7.746 3.045 1.00 0.00 O ATOM 459 CB ALA A 32 10.372 -9.407 3.696 1.00 0.00 C ATOM 0 H ALA A 32 10.039 -11.258 2.088 1.00 0.00 H new ATOM 0 HA ALA A 32 8.371 -10.050 4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.287 -8.496 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.813 -10.196 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.007 -9.219 2.830 1.00 0.00 H new ATOM 465 N GLY A 33 8.182 -8.864 1.112 1.00 0.00 N ATOM 466 CA GLY A 33 7.266 -8.066 0.283 1.00 0.00 C ATOM 467 C GLY A 33 7.909 -6.898 -0.451 1.00 0.00 C ATOM 468 O GLY A 33 7.207 -5.946 -0.811 1.00 0.00 O ATOM 0 H GLY A 33 8.746 -9.530 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.799 -8.723 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.469 -7.681 0.918 1.00 0.00 H new ATOM 472 N TYR A 34 9.235 -6.939 -0.672 1.00 0.00 N ATOM 473 CA TYR A 34 9.915 -5.924 -1.531 1.00 0.00 C ATOM 474 C TYR A 34 10.255 -6.522 -2.905 1.00 0.00 C ATOM 475 O TYR A 34 10.107 -7.728 -3.142 1.00 0.00 O ATOM 476 CB TYR A 34 11.253 -5.357 -0.933 1.00 0.00 C ATOM 477 CG TYR A 34 11.504 -5.474 0.562 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.795 -6.704 1.126 1.00 0.00 C ATOM 479 CD2 TYR A 34 11.557 -4.353 1.392 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.131 -6.821 2.434 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.874 -4.476 2.715 1.00 0.00 C ATOM 482 CZ TYR A 34 12.164 -5.719 3.228 1.00 0.00 C ATOM 483 OH TYR A 34 12.554 -5.858 4.527 1.00 0.00 O ATOM 0 H TYR A 34 9.857 -7.646 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 34 9.200 -5.104 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 34 12.078 -5.854 -1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.307 -4.300 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.753 -7.590 0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.345 -3.376 0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.372 -7.790 2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.897 -3.605 3.353 1.00 0.00 H new ATOM 0 HH TYR A 34 13.533 -5.852 4.577 1.00 0.00 H new ATOM 493 N GLU A 35 10.738 -5.637 -3.796 1.00 0.00 N ATOM 494 CA GLU A 35 11.550 -6.032 -4.956 1.00 0.00 C ATOM 495 C GLU A 35 12.998 -6.175 -4.458 1.00 0.00 C ATOM 496 O GLU A 35 13.537 -5.229 -3.895 1.00 0.00 O ATOM 497 CB GLU A 35 11.480 -4.960 -6.074 1.00 0.00 C ATOM 498 CG GLU A 35 12.333 -5.294 -7.320 1.00 0.00 C ATOM 499 CD GLU A 35 12.148 -4.295 -8.478 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.733 -3.188 -8.424 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.411 -4.606 -9.443 1.00 0.00 O ATOM 0 H GLU A 35 10.576 -4.632 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 35 11.179 -6.966 -5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.441 -4.836 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.808 -4.004 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.385 -5.317 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.076 -6.294 -7.669 1.00 0.00 H new ATOM 508 N VAL A 36 13.611 -7.340 -4.651 1.00 0.00 N ATOM 509 CA VAL A 36 14.957 -7.635 -4.124 1.00 0.00 C ATOM 510 C VAL A 36 15.978 -7.691 -5.273 1.00 0.00 C ATOM 511 O VAL A 36 15.697 -8.269 -6.326 1.00 0.00 O ATOM 512 CB VAL A 36 14.965 -8.967 -3.290 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.546 -10.195 -4.127 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.334 -9.190 -2.597 1.00 0.00 C ATOM 0 H VAL A 36 13.196 -8.111 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 36 15.244 -6.829 -3.448 1.00 0.00 H new ATOM 0 HB VAL A 36 14.211 -8.853 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.569 -11.087 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.536 -10.047 -4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.236 -10.319 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.307 -10.119 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.118 -9.249 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.541 -8.358 -1.923 1.00 0.00 H new ATOM 524 N LYS A 37 17.150 -7.066 -5.073 1.00 0.00 N ATOM 525 CA LYS A 37 18.223 -7.055 -6.077 1.00 0.00 C ATOM 526 C LYS A 37 19.584 -7.085 -5.370 1.00 0.00 C ATOM 527 O LYS A 37 19.914 -6.167 -4.635 1.00 0.00 O ATOM 528 CB LYS A 37 18.112 -5.797 -6.971 1.00 0.00 C ATOM 529 CG LYS A 37 19.083 -5.804 -8.175 1.00 0.00 C ATOM 530 CD LYS A 37 18.654 -6.759 -9.293 1.00 0.00 C ATOM 531 CE LYS A 37 19.692 -6.836 -10.413 1.00 0.00 C ATOM 532 NZ LYS A 37 19.190 -7.620 -11.576 1.00 0.00 N ATOM 0 H LYS A 37 17.378 -6.559 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 37 18.127 -7.936 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.090 -5.713 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.305 -4.912 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.158 -4.794 -8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.078 -6.084 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.495 -7.754 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.700 -6.429 -9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.952 -5.829 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.605 -7.294 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.473 -7.150 -12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.593 -8.578 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.153 -7.680 -11.533 1.00 0.00 H new ATOM 546 N ILE A 38 20.360 -8.155 -5.576 1.00 0.00 N ATOM 547 CA ILE A 38 21.619 -8.388 -4.837 1.00 0.00 C ATOM 548 C ILE A 38 22.831 -8.470 -5.782 1.00 0.00 C ATOM 549 O ILE A 38 22.979 -9.445 -6.523 1.00 0.00 O ATOM 550 CB ILE A 38 21.486 -9.717 -4.028 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.218 -9.656 -3.113 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.767 -10.013 -3.193 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.740 -10.987 -2.608 1.00 0.00 C ATOM 0 H ILE A 38 20.140 -8.884 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 38 21.787 -7.546 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 38 21.372 -10.538 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.435 -9.016 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.409 -9.182 -3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.636 -10.946 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.624 -10.102 -3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.939 -9.199 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.858 -10.844 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.486 -11.627 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.528 -11.458 -2.020 1.00 0.00 H new ATOM 565 N GLU A 39 23.704 -7.458 -5.714 1.00 0.00 N ATOM 566 CA GLU A 39 24.962 -7.421 -6.476 1.00 0.00 C ATOM 567 C GLU A 39 26.016 -8.292 -5.782 1.00 0.00 C ATOM 568 O GLU A 39 26.368 -8.066 -4.627 1.00 0.00 O ATOM 569 CB GLU A 39 25.446 -5.968 -6.587 1.00 0.00 C ATOM 570 CG GLU A 39 26.795 -5.753 -7.294 1.00 0.00 C ATOM 571 CD GLU A 39 27.194 -4.272 -7.338 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.370 -3.446 -7.790 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.330 -3.928 -6.964 1.00 0.00 O ATOM 0 H GLU A 39 23.559 -6.637 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 39 24.797 -7.815 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.686 -5.394 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.516 -5.553 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.569 -6.321 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.737 -6.143 -8.310 1.00 0.00 H new ATOM 580 N THR A 40 26.476 -9.307 -6.491 1.00 0.00 N ATOM 581 CA THR A 40 27.520 -10.208 -6.020 1.00 0.00 C ATOM 582 C THR A 40 28.890 -9.765 -6.574 1.00 0.00 C ATOM 583 O THR A 40 29.010 -9.456 -7.756 1.00 0.00 O ATOM 584 CB THR A 40 27.184 -11.665 -6.455 1.00 0.00 C ATOM 585 OG1 THR A 40 26.924 -11.720 -7.866 1.00 0.00 O ATOM 586 CG2 THR A 40 25.967 -12.218 -5.689 1.00 0.00 C ATOM 0 H THR A 40 26.132 -9.534 -7.424 1.00 0.00 H new ATOM 0 HA THR A 40 27.570 -10.174 -4.932 1.00 0.00 H new ATOM 0 HB THR A 40 28.050 -12.283 -6.218 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.972 -11.895 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.762 -13.237 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.179 -12.218 -4.620 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.097 -11.591 -5.886 1.00 0.00 H new ATOM 594 N GLN A 41 29.905 -9.710 -5.698 1.00 0.00 N ATOM 595 CA GLN A 41 31.289 -9.343 -6.057 1.00 0.00 C ATOM 596 C GLN A 41 32.254 -10.432 -5.563 1.00 0.00 C ATOM 597 O GLN A 41 32.062 -10.988 -4.477 1.00 0.00 O ATOM 598 CB GLN A 41 31.667 -7.964 -5.440 1.00 0.00 C ATOM 599 CG GLN A 41 30.963 -6.757 -6.090 1.00 0.00 C ATOM 600 CD GLN A 41 31.520 -5.406 -5.632 1.00 0.00 C ATOM 601 OE1 GLN A 41 31.002 -4.770 -4.725 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.635 -4.996 -6.216 1.00 0.00 N ATOM 0 H GLN A 41 29.789 -9.921 -4.707 1.00 0.00 H new ATOM 0 HA GLN A 41 31.364 -9.262 -7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.428 -7.978 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.745 -7.827 -5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.057 -6.832 -7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.899 -6.799 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.047 -5.545 -6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.082 -4.131 -5.911 1.00 0.00 H new ATOM 611 N GLY A 42 33.277 -10.738 -6.365 1.00 0.00 N ATOM 612 CA GLY A 42 34.265 -11.745 -6.005 1.00 0.00 C ATOM 613 C GLY A 42 35.424 -11.817 -6.984 1.00 0.00 C ATOM 614 O GLY A 42 35.437 -11.103 -7.993 1.00 0.00 O ATOM 0 H GLY A 42 33.439 -10.298 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.651 -11.527 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.780 -12.720 -5.953 1.00 0.00 H new ATOM 618 N ALA A 43 36.391 -12.705 -6.675 1.00 0.00 N ATOM 619 CA ALA A 43 37.581 -12.957 -7.519 1.00 0.00 C ATOM 620 C ALA A 43 37.194 -13.482 -8.916 1.00 0.00 C ATOM 621 O ALA A 43 37.944 -13.323 -9.882 1.00 0.00 O ATOM 622 CB ALA A 43 38.509 -13.961 -6.813 1.00 0.00 C ATOM 0 H ALA A 43 36.370 -13.272 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 43 38.101 -12.010 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.385 -14.146 -7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.825 -13.552 -5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.975 -14.897 -6.650 1.00 0.00 H new ATOM 628 N ASP A 44 36.018 -14.126 -8.987 1.00 0.00 N ATOM 629 CA ASP A 44 35.463 -14.680 -10.233 1.00 0.00 C ATOM 630 C ASP A 44 34.901 -13.565 -11.141 1.00 0.00 C ATOM 631 O ASP A 44 34.988 -13.662 -12.372 1.00 0.00 O ATOM 632 CB ASP A 44 34.373 -15.727 -9.877 1.00 0.00 C ATOM 633 CG ASP A 44 33.704 -16.398 -11.092 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.423 -16.983 -11.929 1.00 0.00 O ATOM 635 OD2 ASP A 44 32.461 -16.363 -11.209 1.00 0.00 O ATOM 0 H ASP A 44 35.420 -14.278 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 44 36.258 -15.170 -10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 44 34.821 -16.500 -9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 44 33.603 -15.241 -9.278 1.00 0.00 H new ATOM 640 N GLY A 45 34.351 -12.504 -10.518 1.00 0.00 N ATOM 641 CA GLY A 45 33.782 -11.362 -11.243 1.00 0.00 C ATOM 642 C GLY A 45 32.749 -10.603 -10.417 1.00 0.00 C ATOM 643 O GLY A 45 32.739 -10.704 -9.189 1.00 0.00 O ATOM 0 H GLY A 45 34.291 -12.419 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.584 -10.682 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.318 -11.715 -12.164 1.00 0.00 H new ATOM 647 N ILE A 46 31.891 -9.816 -11.098 1.00 0.00 N ATOM 648 CA ILE A 46 30.723 -9.140 -10.481 1.00 0.00 C ATOM 649 C ILE A 46 29.465 -9.488 -11.287 1.00 0.00 C ATOM 650 O ILE A 46 29.478 -9.439 -12.525 1.00 0.00 O ATOM 651 CB ILE A 46 30.895 -7.569 -10.403 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.188 -7.205 -9.603 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.643 -6.900 -9.767 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.544 -5.731 -9.571 1.00 0.00 C ATOM 0 H ILE A 46 31.986 -9.628 -12.096 1.00 0.00 H new ATOM 0 HA ILE A 46 30.636 -9.497 -9.455 1.00 0.00 H new ATOM 0 HB ILE A 46 30.996 -7.185 -11.418 1.00 0.00 H new ATOM 0 HG12 ILE A 46 32.070 -7.554 -8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 46 33.026 -7.754 -10.032 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.789 -5.821 -9.726 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.764 -7.125 -10.371 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.498 -7.285 -8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.456 -5.589 -8.991 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.702 -5.373 -10.588 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.731 -5.170 -9.111 1.00 0.00 H new ATOM 666 N GLN A 47 28.377 -9.820 -10.583 1.00 0.00 N ATOM 667 CA GLN A 47 27.128 -10.266 -11.201 1.00 0.00 C ATOM 668 C GLN A 47 25.923 -9.601 -10.518 1.00 0.00 C ATOM 669 O GLN A 47 26.021 -9.192 -9.360 1.00 0.00 O ATOM 670 CB GLN A 47 27.039 -11.813 -11.094 1.00 0.00 C ATOM 671 CG GLN A 47 25.950 -12.468 -11.967 1.00 0.00 C ATOM 672 CD GLN A 47 26.110 -12.199 -13.471 1.00 0.00 C ATOM 673 OE1 GLN A 47 25.125 -12.091 -14.190 1.00 0.00 O ATOM 674 NE2 GLN A 47 27.342 -12.133 -13.967 1.00 0.00 N ATOM 0 H GLN A 47 28.340 -9.786 -9.564 1.00 0.00 H new ATOM 0 HA GLN A 47 27.114 -9.976 -12.252 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.005 -12.237 -11.367 1.00 0.00 H new ATOM 0 HB3 GLN A 47 26.857 -12.080 -10.053 1.00 0.00 H new ATOM 0 HG2 GLN A 47 25.962 -13.545 -11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 47 24.974 -12.105 -11.645 1.00 0.00 H new ATOM 0 HE21 GLN A 47 28.147 -12.226 -13.347 1.00 0.00 H new ATOM 0 HE22 GLN A 47 27.482 -11.989 -14.967 1.00 0.00 H new ATOM 683 N ASN A 48 24.803 -9.492 -11.270 1.00 0.00 N ATOM 684 CA ASN A 48 23.511 -8.939 -10.788 1.00 0.00 C ATOM 685 C ASN A 48 23.693 -7.464 -10.346 1.00 0.00 C ATOM 686 O ASN A 48 23.053 -7.007 -9.381 1.00 0.00 O ATOM 687 CB ASN A 48 22.915 -9.828 -9.639 1.00 0.00 C ATOM 688 CG ASN A 48 21.381 -9.882 -9.611 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.728 -9.841 -10.651 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.792 -9.998 -8.426 1.00 0.00 N ATOM 0 H ASN A 48 24.769 -9.790 -12.245 1.00 0.00 H new ATOM 0 HA ASN A 48 22.792 -8.954 -11.607 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.300 -10.842 -9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.271 -9.449 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.775 -10.055 -8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.356 -10.030 -7.577 1.00 0.00 H new ATOM 697 N ARG A 49 24.560 -6.741 -11.107 1.00 0.00 N ATOM 698 CA ARG A 49 24.985 -5.356 -10.827 1.00 0.00 C ATOM 699 C ARG A 49 23.787 -4.430 -10.529 1.00 0.00 C ATOM 700 O ARG A 49 22.848 -4.319 -11.328 1.00 0.00 O ATOM 701 CB ARG A 49 25.805 -4.797 -12.033 1.00 0.00 C ATOM 702 CG ARG A 49 26.216 -3.302 -11.925 1.00 0.00 C ATOM 703 CD ARG A 49 27.347 -3.043 -10.913 1.00 0.00 C ATOM 704 NE ARG A 49 28.676 -3.317 -11.479 1.00 0.00 N ATOM 705 CZ ARG A 49 29.796 -3.438 -10.759 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.751 -3.579 -9.445 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.966 -3.477 -11.371 1.00 0.00 N ATOM 0 H ARG A 49 24.988 -7.122 -11.951 1.00 0.00 H new ATOM 0 HA ARG A 49 25.611 -5.378 -9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.708 -5.397 -12.146 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.218 -4.930 -12.942 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.531 -2.949 -12.907 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.344 -2.714 -11.640 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.303 -2.006 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.194 -3.667 -10.033 1.00 0.00 H new ATOM 0 HE ARG A 49 28.749 -3.422 -12.491 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.851 -3.597 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.616 -3.670 -8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 49 31.012 -3.415 -12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.824 -3.569 -10.826 1.00 0.00 H new ATOM 721 N LEU A 50 23.842 -3.807 -9.354 1.00 0.00 N ATOM 722 CA LEU A 50 22.895 -2.782 -8.924 1.00 0.00 C ATOM 723 C LEU A 50 23.096 -1.494 -9.727 1.00 0.00 C ATOM 724 O LEU A 50 24.226 -1.113 -10.040 1.00 0.00 O ATOM 725 CB LEU A 50 23.076 -2.526 -7.399 1.00 0.00 C ATOM 726 CG LEU A 50 22.544 -3.670 -6.483 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.134 -3.622 -5.065 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.022 -3.628 -6.428 1.00 0.00 C ATOM 0 H LEU A 50 24.562 -4.005 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 50 21.877 -3.127 -9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.136 -2.375 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.565 -1.600 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 50 22.869 -4.612 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.727 -4.442 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.219 -3.717 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.875 -2.673 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.659 -4.431 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.699 -2.668 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.618 -3.756 -7.432 1.00 0.00 H new ATOM 740 N THR A 51 21.982 -0.856 -10.077 1.00 0.00 N ATOM 741 CA THR A 51 21.965 0.464 -10.706 1.00 0.00 C ATOM 742 C THR A 51 21.782 1.519 -9.605 1.00 0.00 C ATOM 743 O THR A 51 21.327 1.179 -8.508 1.00 0.00 O ATOM 744 CB THR A 51 20.794 0.558 -11.748 1.00 0.00 C ATOM 745 OG1 THR A 51 19.526 0.472 -11.073 1.00 0.00 O ATOM 746 CG2 THR A 51 20.871 -0.569 -12.797 1.00 0.00 C ATOM 0 H THR A 51 21.051 -1.247 -9.930 1.00 0.00 H new ATOM 0 HA THR A 51 22.902 0.635 -11.237 1.00 0.00 H new ATOM 0 HB THR A 51 20.890 1.517 -12.258 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.409 -0.431 -10.710 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.044 -0.469 -13.500 1.00 0.00 H new ATOM 0 HG22 THR A 51 21.816 -0.500 -13.336 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.808 -1.536 -12.298 1.00 0.00 H new ATOM 754 N ALA A 52 22.121 2.789 -9.889 1.00 0.00 N ATOM 755 CA ALA A 52 21.875 3.906 -8.949 1.00 0.00 C ATOM 756 C ALA A 52 20.368 4.061 -8.665 1.00 0.00 C ATOM 757 O ALA A 52 19.983 4.556 -7.605 1.00 0.00 O ATOM 758 CB ALA A 52 22.472 5.210 -9.489 1.00 0.00 C ATOM 0 H ALA A 52 22.567 3.071 -10.762 1.00 0.00 H new ATOM 0 HA ALA A 52 22.370 3.675 -8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.280 6.018 -8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.547 5.091 -9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 52 22.014 5.450 -10.448 1.00 0.00 H new ATOM 764 N GLN A 53 19.539 3.599 -9.631 1.00 0.00 N ATOM 765 CA GLN A 53 18.081 3.531 -9.487 1.00 0.00 C ATOM 766 C GLN A 53 17.694 2.513 -8.399 1.00 0.00 C ATOM 767 O GLN A 53 16.859 2.816 -7.560 1.00 0.00 O ATOM 768 CB GLN A 53 17.413 3.165 -10.843 1.00 0.00 C ATOM 769 CG GLN A 53 15.870 3.210 -10.836 1.00 0.00 C ATOM 770 CD GLN A 53 15.312 4.608 -10.552 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.073 4.921 -9.288 1.00 0.00 O flip ATOM 772 NE2 GLN A 53 15.097 5.401 -11.469 1.00 0.00 N flip ATOM 0 H GLN A 53 19.874 3.263 -10.534 1.00 0.00 H new ATOM 0 HA GLN A 53 17.719 4.513 -9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.779 3.849 -11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.732 2.163 -11.131 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.498 2.866 -11.801 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.495 2.516 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.291 5.131 -12.433 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.725 6.328 -11.265 1.00 0.00 H new ATOM 781 N ASP A 54 18.327 1.315 -8.425 1.00 0.00 N ATOM 782 CA ASP A 54 18.117 0.261 -7.397 1.00 0.00 C ATOM 783 C ASP A 54 18.449 0.788 -5.996 1.00 0.00 C ATOM 784 O ASP A 54 17.693 0.561 -5.049 1.00 0.00 O ATOM 785 CB ASP A 54 18.984 -1.005 -7.668 1.00 0.00 C ATOM 786 CG ASP A 54 18.489 -1.882 -8.824 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.321 -2.303 -8.791 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.259 -2.175 -9.756 1.00 0.00 O ATOM 0 H ASP A 54 18.992 1.051 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 54 17.064 -0.015 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.006 -0.691 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.017 -1.608 -6.760 1.00 0.00 H new ATOM 793 N ILE A 55 19.587 1.505 -5.900 1.00 0.00 N ATOM 794 CA ILE A 55 20.115 2.022 -4.620 1.00 0.00 C ATOM 795 C ILE A 55 19.245 3.193 -4.101 1.00 0.00 C ATOM 796 O ILE A 55 19.126 3.397 -2.890 1.00 0.00 O ATOM 797 CB ILE A 55 21.630 2.476 -4.744 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.475 1.449 -5.569 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.263 2.656 -3.349 1.00 0.00 C ATOM 800 CD1 ILE A 55 23.902 1.893 -5.880 1.00 0.00 C ATOM 0 H ILE A 55 20.165 1.742 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 55 20.073 1.204 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 55 21.635 3.430 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.514 0.508 -5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.960 1.248 -6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.302 2.967 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.713 3.416 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.223 1.711 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.408 1.117 -6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.878 2.816 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.441 2.064 -4.948 1.00 0.00 H new ATOM 812 N ALA A 56 18.632 3.940 -5.041 1.00 0.00 N ATOM 813 CA ALA A 56 17.730 5.064 -4.723 1.00 0.00 C ATOM 814 C ALA A 56 16.372 4.547 -4.198 1.00 0.00 C ATOM 815 O ALA A 56 15.862 5.037 -3.186 1.00 0.00 O ATOM 816 CB ALA A 56 17.537 5.948 -5.965 1.00 0.00 C ATOM 0 H ALA A 56 18.749 3.781 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 56 18.184 5.665 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.870 6.775 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.502 6.341 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.102 5.355 -6.770 1.00 0.00 H new ATOM 822 N GLU A 57 15.813 3.542 -4.903 1.00 0.00 N ATOM 823 CA GLU A 57 14.534 2.887 -4.536 1.00 0.00 C ATOM 824 C GLU A 57 14.662 2.093 -3.230 1.00 0.00 C ATOM 825 O GLU A 57 13.666 1.881 -2.533 1.00 0.00 O ATOM 826 CB GLU A 57 14.080 1.912 -5.650 1.00 0.00 C ATOM 827 CG GLU A 57 13.790 2.567 -7.006 1.00 0.00 C ATOM 828 CD GLU A 57 13.446 1.535 -8.094 1.00 0.00 C ATOM 829 OE1 GLU A 57 14.336 0.731 -8.455 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.293 1.520 -8.587 1.00 0.00 O ATOM 0 H GLU A 57 16.236 3.158 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 57 13.799 3.682 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.853 1.155 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.182 1.394 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.962 3.267 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.658 3.146 -7.320 1.00 0.00 H new ATOM 837 N ALA A 58 15.895 1.628 -2.958 1.00 0.00 N ATOM 838 CA ALA A 58 16.210 0.760 -1.817 1.00 0.00 C ATOM 839 C ALA A 58 15.787 1.384 -0.476 1.00 0.00 C ATOM 840 O ALA A 58 16.462 2.270 0.060 1.00 0.00 O ATOM 841 CB ALA A 58 17.703 0.412 -1.805 1.00 0.00 C ATOM 0 H ALA A 58 16.708 1.849 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 58 15.633 -0.157 -1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.920 -0.232 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.963 -0.107 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.289 1.327 -1.726 1.00 0.00 H new ATOM 847 N THR A 59 14.621 0.935 0.003 1.00 0.00 N ATOM 848 CA THR A 59 14.125 1.193 1.354 1.00 0.00 C ATOM 849 C THR A 59 15.115 0.597 2.383 1.00 0.00 C ATOM 850 O THR A 59 15.377 1.189 3.439 1.00 0.00 O ATOM 851 CB THR A 59 12.706 0.535 1.516 1.00 0.00 C ATOM 852 OG1 THR A 59 11.847 0.969 0.446 1.00 0.00 O ATOM 853 CG2 THR A 59 12.036 0.850 2.869 1.00 0.00 C ATOM 0 H THR A 59 13.982 0.368 -0.555 1.00 0.00 H new ATOM 0 HA THR A 59 14.041 2.266 1.525 1.00 0.00 H new ATOM 0 HB THR A 59 12.856 -0.544 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.964 0.557 0.548 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.061 0.365 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.663 0.480 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.910 1.928 2.971 1.00 0.00 H new ATOM 861 N ILE A 60 15.671 -0.587 2.034 1.00 0.00 N ATOM 862 CA ILE A 60 16.647 -1.323 2.877 1.00 0.00 C ATOM 863 C ILE A 60 17.836 -1.814 2.016 1.00 0.00 C ATOM 864 O ILE A 60 17.639 -2.244 0.877 1.00 0.00 O ATOM 865 CB ILE A 60 15.946 -2.551 3.586 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.800 -2.065 4.532 1.00 0.00 C ATOM 867 CG2 ILE A 60 16.958 -3.428 4.365 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.986 -3.167 5.187 1.00 0.00 C ATOM 0 H ILE A 60 15.456 -1.061 1.157 1.00 0.00 H new ATOM 0 HA ILE A 60 17.024 -0.645 3.643 1.00 0.00 H new ATOM 0 HB ILE A 60 15.513 -3.171 2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.236 -1.444 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.125 -1.429 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.433 -4.259 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.708 -3.816 3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.446 -2.826 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.219 -2.724 5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.513 -3.776 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.642 -3.793 5.793 1.00 0.00 H new ATOM 880 N ILE A 61 19.072 -1.728 2.572 1.00 0.00 N ATOM 881 CA ILE A 61 20.311 -2.241 1.927 1.00 0.00 C ATOM 882 C ILE A 61 21.054 -3.129 2.935 1.00 0.00 C ATOM 883 O ILE A 61 21.132 -2.769 4.104 1.00 0.00 O ATOM 884 CB ILE A 61 21.281 -1.075 1.476 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.499 0.031 0.694 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.466 -1.633 0.630 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.329 1.220 0.255 1.00 0.00 C ATOM 0 H ILE A 61 19.239 -1.300 3.483 1.00 0.00 H new ATOM 0 HA ILE A 61 20.019 -2.798 1.037 1.00 0.00 H new ATOM 0 HB ILE A 61 21.699 -0.616 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.047 -0.422 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.683 0.390 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.118 -0.812 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.032 -2.349 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.077 -2.128 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.696 1.929 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.760 1.706 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.129 0.882 -0.404 1.00 0.00 H new ATOM 899 N ILE A 62 21.584 -4.294 2.502 1.00 0.00 N ATOM 900 CA ILE A 62 22.408 -5.176 3.375 1.00 0.00 C ATOM 901 C ILE A 62 23.743 -5.522 2.673 1.00 0.00 C ATOM 902 O ILE A 62 23.739 -6.228 1.672 1.00 0.00 O ATOM 903 CB ILE A 62 21.675 -6.535 3.774 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.265 -6.306 4.431 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.555 -7.377 4.726 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.114 -6.173 3.453 1.00 0.00 C ATOM 0 H ILE A 62 21.459 -4.650 1.554 1.00 0.00 H new ATOM 0 HA ILE A 62 22.582 -4.614 4.292 1.00 0.00 H new ATOM 0 HB ILE A 62 21.518 -7.075 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.056 -7.138 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.308 -5.405 5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.033 -8.299 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.497 -7.619 4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.756 -6.808 5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.186 -6.018 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.292 -5.323 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.036 -7.083 2.857 1.00 0.00 H new ATOM 918 N HIS A 63 24.891 -5.041 3.200 1.00 0.00 N ATOM 919 CA HIS A 63 26.222 -5.438 2.665 1.00 0.00 C ATOM 920 C HIS A 63 26.706 -6.708 3.370 1.00 0.00 C ATOM 921 O HIS A 63 27.399 -6.653 4.383 1.00 0.00 O ATOM 922 CB HIS A 63 27.277 -4.287 2.752 1.00 0.00 C ATOM 923 CG HIS A 63 27.281 -3.367 1.555 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.416 -2.708 1.164 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.277 -3.051 0.696 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.086 -2.020 0.095 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.802 -2.198 -0.229 1.00 0.00 N ATOM 0 H HIS A 63 24.929 -4.388 3.982 1.00 0.00 H new ATOM 0 HA HIS A 63 26.105 -5.648 1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.085 -3.699 3.649 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.269 -4.725 2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.258 -3.407 0.738 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.768 -1.388 -0.454 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.309 -1.777 -1.017 1.00 0.00 H new ATOM 935 N SER A 64 26.271 -7.848 2.826 1.00 0.00 N ATOM 936 CA SER A 64 26.676 -9.178 3.278 1.00 0.00 C ATOM 937 C SER A 64 28.063 -9.505 2.725 1.00 0.00 C ATOM 938 O SER A 64 28.207 -10.202 1.718 1.00 0.00 O ATOM 939 CB SER A 64 25.637 -10.193 2.788 1.00 0.00 C ATOM 940 OG SER A 64 24.346 -9.799 3.186 1.00 0.00 O ATOM 0 H SER A 64 25.615 -7.871 2.045 1.00 0.00 H new ATOM 0 HA SER A 64 26.728 -9.215 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.682 -10.274 1.702 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.864 -11.180 3.191 1.00 0.00 H new ATOM 0 HG SER A 64 23.950 -9.229 2.494 1.00 0.00 H new ATOM 946 N VAL A 65 29.095 -8.962 3.368 1.00 0.00 N ATOM 947 CA VAL A 65 30.461 -9.013 2.835 1.00 0.00 C ATOM 948 C VAL A 65 31.443 -9.629 3.839 1.00 0.00 C ATOM 949 O VAL A 65 31.191 -9.687 5.043 1.00 0.00 O ATOM 950 CB VAL A 65 30.928 -7.578 2.383 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.033 -7.038 1.235 1.00 0.00 C ATOM 952 CG2 VAL A 65 30.950 -6.584 3.573 1.00 0.00 C ATOM 0 H VAL A 65 29.014 -8.479 4.263 1.00 0.00 H new ATOM 0 HA VAL A 65 30.454 -9.664 1.961 1.00 0.00 H new ATOM 0 HB VAL A 65 31.948 -7.670 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.377 -6.046 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.093 -7.711 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.000 -6.978 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.277 -5.605 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 65 29.949 -6.502 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.639 -6.945 4.336 1.00 0.00 H new ATOM 962 N ALA A 66 32.542 -10.140 3.288 1.00 0.00 N ATOM 963 CA ALA A 66 33.688 -10.669 4.043 1.00 0.00 C ATOM 964 C ALA A 66 34.908 -9.750 3.817 1.00 0.00 C ATOM 965 O ALA A 66 35.892 -9.796 4.560 1.00 0.00 O ATOM 966 CB ALA A 66 33.981 -12.107 3.585 1.00 0.00 C ATOM 0 H ALA A 66 32.669 -10.202 2.278 1.00 0.00 H new ATOM 0 HA ALA A 66 33.464 -10.691 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.830 -12.501 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.106 -12.732 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.214 -12.109 2.520 1.00 0.00 H new ATOM 972 N VAL A 67 34.800 -8.916 2.764 1.00 0.00 N ATOM 973 CA VAL A 67 35.818 -7.943 2.333 1.00 0.00 C ATOM 974 C VAL A 67 35.153 -6.569 2.131 1.00 0.00 C ATOM 975 O VAL A 67 33.926 -6.474 2.124 1.00 0.00 O ATOM 976 CB VAL A 67 36.485 -8.401 0.974 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.333 -9.676 1.170 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.417 -8.611 -0.146 1.00 0.00 C ATOM 0 H VAL A 67 33.971 -8.903 2.170 1.00 0.00 H new ATOM 0 HA VAL A 67 36.589 -7.879 3.100 1.00 0.00 H new ATOM 0 HB VAL A 67 37.150 -7.599 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 67 37.779 -9.966 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.122 -9.480 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 67 36.698 -10.483 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 67 35.911 -8.925 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 67 34.709 -9.378 0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 67 34.885 -7.676 -0.321 1.00 0.00 H new ATOM 988 N THR A 68 35.966 -5.514 1.968 1.00 0.00 N ATOM 989 CA THR A 68 35.461 -4.200 1.563 1.00 0.00 C ATOM 990 C THR A 68 35.205 -4.217 0.038 1.00 0.00 C ATOM 991 O THR A 68 36.163 -4.360 -0.737 1.00 0.00 O ATOM 992 CB THR A 68 36.458 -3.060 1.952 1.00 0.00 C ATOM 993 OG1 THR A 68 36.707 -3.113 3.368 1.00 0.00 O ATOM 994 CG2 THR A 68 35.916 -1.661 1.580 1.00 0.00 C ATOM 0 H THR A 68 36.975 -5.549 2.111 1.00 0.00 H new ATOM 0 HA THR A 68 34.529 -3.996 2.089 1.00 0.00 H new ATOM 0 HB THR A 68 37.380 -3.217 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.333 -2.401 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.642 -0.901 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.746 -1.611 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 68 34.977 -1.483 2.104 1.00 0.00 H new ATOM 1002 N PRO A 69 33.909 -4.122 -0.415 1.00 0.00 N ATOM 1003 CA PRO A 69 33.556 -4.180 -1.853 1.00 0.00 C ATOM 1004 C PRO A 69 34.149 -2.996 -2.653 1.00 0.00 C ATOM 1005 O PRO A 69 34.330 -1.900 -2.108 1.00 0.00 O ATOM 1006 CB PRO A 69 32.006 -4.142 -1.849 1.00 0.00 C ATOM 1007 CG PRO A 69 31.632 -3.505 -0.550 1.00 0.00 C ATOM 1008 CD PRO A 69 32.688 -3.950 0.436 1.00 0.00 C ATOM 0 HA PRO A 69 33.961 -5.067 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.624 -3.568 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.587 -5.145 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.610 -2.419 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.639 -3.820 -0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.845 -3.208 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.409 -4.880 0.931 1.00 0.00 H new ATOM 1016 N GLU A 70 34.436 -3.237 -3.948 1.00 0.00 N ATOM 1017 CA GLU A 70 35.006 -2.211 -4.859 1.00 0.00 C ATOM 1018 C GLU A 70 33.989 -1.082 -5.119 1.00 0.00 C ATOM 1019 O GLU A 70 34.362 0.053 -5.448 1.00 0.00 O ATOM 1020 CB GLU A 70 35.439 -2.872 -6.201 1.00 0.00 C ATOM 1021 CG GLU A 70 36.379 -4.084 -6.049 1.00 0.00 C ATOM 1022 CD GLU A 70 37.654 -3.779 -5.236 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.579 -3.138 -5.784 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.740 -4.191 -4.050 1.00 0.00 O ATOM 0 H GLU A 70 34.282 -4.141 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 70 35.882 -1.773 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.545 -3.188 -6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.934 -2.121 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.836 -4.896 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.666 -4.437 -7.040 1.00 0.00 H new ATOM 1031 N ASP A 71 32.702 -1.420 -4.948 1.00 0.00 N ATOM 1032 CA ASP A 71 31.576 -0.506 -5.189 1.00 0.00 C ATOM 1033 C ASP A 71 30.998 0.056 -3.887 1.00 0.00 C ATOM 1034 O ASP A 71 29.914 0.645 -3.907 1.00 0.00 O ATOM 1035 CB ASP A 71 30.499 -1.256 -5.997 1.00 0.00 C ATOM 1036 CG ASP A 71 31.003 -1.632 -7.392 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.721 -2.638 -7.530 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.710 -0.898 -8.361 1.00 0.00 O ATOM 0 H ASP A 71 32.411 -2.346 -4.635 1.00 0.00 H new ATOM 0 HA ASP A 71 31.935 0.353 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 71 30.203 -2.158 -5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.610 -0.632 -6.086 1.00 0.00 H new ATOM 1043 N ASN A 72 31.756 -0.077 -2.779 1.00 0.00 N ATOM 1044 CA ASN A 72 31.353 0.420 -1.440 1.00 0.00 C ATOM 1045 C ASN A 72 30.967 1.916 -1.476 1.00 0.00 C ATOM 1046 O ASN A 72 29.990 2.313 -0.846 1.00 0.00 O ATOM 1047 CB ASN A 72 32.507 0.185 -0.423 1.00 0.00 C ATOM 1048 CG ASN A 72 32.273 0.780 0.979 1.00 0.00 C ATOM 1049 OD1 ASN A 72 31.153 0.819 1.488 1.00 0.00 O ATOM 1050 ND2 ASN A 72 33.330 1.276 1.603 1.00 0.00 N ATOM 0 H ASN A 72 32.668 -0.533 -2.784 1.00 0.00 H new ATOM 0 HA ASN A 72 30.471 -0.137 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.669 -0.888 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 72 33.424 0.609 -0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 72 33.225 1.701 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.249 1.233 1.163 1.00 0.00 H new ATOM 1057 N GLU A 73 31.716 2.712 -2.270 1.00 0.00 N ATOM 1058 CA GLU A 73 31.526 4.179 -2.362 1.00 0.00 C ATOM 1059 C GLU A 73 30.133 4.589 -2.909 1.00 0.00 C ATOM 1060 O GLU A 73 29.618 5.645 -2.533 1.00 0.00 O ATOM 1061 CB GLU A 73 32.693 4.852 -3.153 1.00 0.00 C ATOM 1062 CG GLU A 73 33.216 4.107 -4.405 1.00 0.00 C ATOM 1063 CD GLU A 73 32.211 3.952 -5.554 1.00 0.00 C ATOM 1064 OE1 GLU A 73 31.851 4.972 -6.187 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.791 2.814 -5.836 1.00 0.00 O ATOM 0 H GLU A 73 32.467 2.359 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 73 31.555 4.557 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.364 5.844 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.529 4.992 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 73 34.091 4.636 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.550 3.115 -4.102 1.00 0.00 H new ATOM 1072 N ARG A 74 29.539 3.746 -3.779 1.00 0.00 N ATOM 1073 CA ARG A 74 28.168 3.947 -4.290 1.00 0.00 C ATOM 1074 C ARG A 74 27.117 3.899 -3.154 1.00 0.00 C ATOM 1075 O ARG A 74 26.153 4.670 -3.137 1.00 0.00 O ATOM 1076 CB ARG A 74 27.853 2.859 -5.349 1.00 0.00 C ATOM 1077 CG ARG A 74 28.633 3.018 -6.668 1.00 0.00 C ATOM 1078 CD ARG A 74 28.549 1.782 -7.581 1.00 0.00 C ATOM 1079 NE ARG A 74 27.181 1.254 -7.699 1.00 0.00 N ATOM 1080 CZ ARG A 74 26.873 -0.050 -7.774 1.00 0.00 C ATOM 1081 NH1 ARG A 74 27.816 -0.968 -7.872 1.00 0.00 N ATOM 1082 NH2 ARG A 74 25.612 -0.433 -7.773 1.00 0.00 N ATOM 0 H ARG A 74 29.995 2.910 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 74 28.115 4.937 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 74 28.074 1.880 -4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.785 2.878 -5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.249 3.885 -7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.679 3.222 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.920 2.042 -8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 74 29.202 1.002 -7.190 1.00 0.00 H new ATOM 0 HE ARG A 74 26.414 1.925 -7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.797 -0.691 -7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.563 -1.955 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 74 24.868 0.262 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.380 -1.425 -7.830 1.00 0.00 H new ATOM 1096 N PHE A 75 27.343 2.973 -2.215 1.00 0.00 N ATOM 1097 CA PHE A 75 26.424 2.690 -1.090 1.00 0.00 C ATOM 1098 C PHE A 75 26.864 3.423 0.194 1.00 0.00 C ATOM 1099 O PHE A 75 26.133 3.435 1.186 1.00 0.00 O ATOM 1100 CB PHE A 75 26.383 1.164 -0.837 1.00 0.00 C ATOM 1101 CG PHE A 75 26.082 0.331 -2.083 1.00 0.00 C ATOM 1102 CD1 PHE A 75 27.112 -0.053 -2.945 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.789 -0.066 -2.396 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.860 -0.800 -4.075 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.540 -0.815 -3.525 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.574 -1.181 -4.366 1.00 0.00 C ATOM 0 H PHE A 75 28.178 2.388 -2.209 1.00 0.00 H new ATOM 0 HA PHE A 75 25.431 3.051 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.342 0.849 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.627 0.952 -0.081 1.00 0.00 H new ATOM 0 HD1 PHE A 75 28.127 0.242 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.971 0.215 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.671 -1.085 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.529 -1.118 -3.755 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.370 -1.766 -5.251 1.00 0.00 H new ATOM 1116 N GLU A 76 28.059 4.033 0.154 1.00 0.00 N ATOM 1117 CA GLU A 76 28.666 4.746 1.294 1.00 0.00 C ATOM 1118 C GLU A 76 27.829 5.979 1.687 1.00 0.00 C ATOM 1119 O GLU A 76 27.736 6.325 2.870 1.00 0.00 O ATOM 1120 CB GLU A 76 30.110 5.146 0.912 1.00 0.00 C ATOM 1121 CG GLU A 76 30.937 5.830 2.014 1.00 0.00 C ATOM 1122 CD GLU A 76 32.322 6.263 1.514 1.00 0.00 C ATOM 1123 OE1 GLU A 76 32.393 7.218 0.710 1.00 0.00 O ATOM 1124 OE2 GLU A 76 33.341 5.651 1.902 1.00 0.00 O ATOM 0 H GLU A 76 28.641 4.046 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 76 28.690 4.091 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.641 4.250 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 76 30.065 5.814 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 76 30.397 6.702 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 76 31.053 5.147 2.856 1.00 0.00 H new ATOM 1131 N SER A 77 27.207 6.609 0.681 1.00 0.00 N ATOM 1132 CA SER A 77 26.313 7.768 0.870 1.00 0.00 C ATOM 1133 C SER A 77 24.940 7.348 1.439 1.00 0.00 C ATOM 1134 O SER A 77 24.201 8.185 1.968 1.00 0.00 O ATOM 1135 CB SER A 77 26.136 8.487 -0.485 1.00 0.00 C ATOM 1136 OG SER A 77 25.636 7.602 -1.480 1.00 0.00 O ATOM 0 H SER A 77 27.308 6.330 -0.295 1.00 0.00 H new ATOM 0 HA SER A 77 26.767 8.442 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 77 25.452 9.327 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 77 27.092 8.898 -0.808 1.00 0.00 H new ATOM 0 HG SER A 77 25.533 8.086 -2.326 1.00 0.00 H new ATOM 1142 N ARG A 78 24.633 6.049 1.338 1.00 0.00 N ATOM 1143 CA ARG A 78 23.305 5.488 1.643 1.00 0.00 C ATOM 1144 C ARG A 78 23.308 4.764 3.003 1.00 0.00 C ATOM 1145 O ARG A 78 24.368 4.395 3.517 1.00 0.00 O ATOM 1146 CB ARG A 78 22.918 4.508 0.508 1.00 0.00 C ATOM 1147 CG ARG A 78 23.032 5.095 -0.915 1.00 0.00 C ATOM 1148 CD ARG A 78 21.995 6.182 -1.208 1.00 0.00 C ATOM 1149 NE ARG A 78 22.091 6.658 -2.601 1.00 0.00 N ATOM 1150 CZ ARG A 78 21.102 7.258 -3.287 1.00 0.00 C ATOM 1151 NH1 ARG A 78 19.898 7.434 -2.748 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.322 7.681 -4.528 1.00 0.00 N ATOM 0 H ARG A 78 25.308 5.345 1.038 1.00 0.00 H new ATOM 0 HA ARG A 78 22.575 6.295 1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.555 3.626 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.893 4.174 0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 78 24.031 5.510 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.920 4.291 -1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.994 5.791 -1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.141 7.019 -0.525 1.00 0.00 H new ATOM 0 HE ARG A 78 22.979 6.521 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 78 19.712 7.112 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 78 19.161 7.891 -3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 78 22.238 7.550 -4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 78 20.574 8.137 -5.052 1.00 0.00 H new ATOM 1166 N ASP A 79 22.107 4.575 3.582 1.00 0.00 N ATOM 1167 CA ASP A 79 21.924 3.804 4.827 1.00 0.00 C ATOM 1168 C ASP A 79 21.999 2.300 4.533 1.00 0.00 C ATOM 1169 O ASP A 79 21.047 1.698 4.005 1.00 0.00 O ATOM 1170 CB ASP A 79 20.582 4.166 5.518 1.00 0.00 C ATOM 1171 CG ASP A 79 20.638 5.522 6.235 1.00 0.00 C ATOM 1172 OD1 ASP A 79 20.341 6.560 5.608 1.00 0.00 O ATOM 1173 OD2 ASP A 79 20.986 5.556 7.431 1.00 0.00 O ATOM 0 H ASP A 79 21.239 4.951 3.201 1.00 0.00 H new ATOM 0 HA ASP A 79 22.729 4.065 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.787 4.185 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 79 20.326 3.388 6.238 1.00 0.00 H new ATOM 1178 N VAL A 80 23.166 1.712 4.842 1.00 0.00 N ATOM 1179 CA VAL A 80 23.442 0.287 4.626 1.00 0.00 C ATOM 1180 C VAL A 80 23.574 -0.443 5.972 1.00 0.00 C ATOM 1181 O VAL A 80 24.178 0.073 6.922 1.00 0.00 O ATOM 1182 CB VAL A 80 24.755 0.077 3.786 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.062 -1.419 3.575 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.680 0.819 2.436 1.00 0.00 C ATOM 0 H VAL A 80 23.950 2.219 5.252 1.00 0.00 H new ATOM 0 HA VAL A 80 22.604 -0.128 4.067 1.00 0.00 H new ATOM 0 HB VAL A 80 25.577 0.504 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 80 25.976 -1.524 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.192 -1.904 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.235 -1.889 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.602 0.654 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.835 0.441 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.549 1.886 2.614 1.00 0.00 H new ATOM 1194 N TYR A 81 22.993 -1.647 6.031 1.00 0.00 N ATOM 1195 CA TYR A 81 23.128 -2.570 7.155 1.00 0.00 C ATOM 1196 C TYR A 81 24.198 -3.606 6.782 1.00 0.00 C ATOM 1197 O TYR A 81 23.907 -4.628 6.150 1.00 0.00 O ATOM 1198 CB TYR A 81 21.751 -3.220 7.479 1.00 0.00 C ATOM 1199 CG TYR A 81 20.671 -2.163 7.801 1.00 0.00 C ATOM 1200 CD1 TYR A 81 19.885 -1.598 6.790 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.484 -1.696 9.104 1.00 0.00 C ATOM 1202 CE1 TYR A 81 18.962 -0.613 7.066 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.549 -0.713 9.384 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.795 -0.174 8.361 1.00 0.00 C ATOM 1205 OH TYR A 81 17.868 0.812 8.625 1.00 0.00 O ATOM 0 H TYR A 81 22.405 -2.011 5.281 1.00 0.00 H new ATOM 0 HA TYR A 81 23.443 -2.052 8.061 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.426 -3.823 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.860 -3.896 8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.004 -1.941 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.078 -2.108 9.906 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.371 -0.186 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.410 -0.370 10.399 1.00 0.00 H new ATOM 0 HH TYR A 81 17.867 1.012 9.584 1.00 0.00 H new ATOM 1215 N GLU A 82 25.459 -3.281 7.112 1.00 0.00 N ATOM 1216 CA GLU A 82 26.614 -4.115 6.763 1.00 0.00 C ATOM 1217 C GLU A 82 26.775 -5.253 7.783 1.00 0.00 C ATOM 1218 O GLU A 82 26.785 -5.022 8.997 1.00 0.00 O ATOM 1219 CB GLU A 82 27.906 -3.263 6.686 1.00 0.00 C ATOM 1220 CG GLU A 82 29.151 -4.033 6.187 1.00 0.00 C ATOM 1221 CD GLU A 82 30.417 -3.163 6.136 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.429 -2.174 5.383 1.00 0.00 O ATOM 1223 OE2 GLU A 82 31.402 -3.460 6.843 1.00 0.00 O ATOM 0 H GLU A 82 25.703 -2.435 7.627 1.00 0.00 H new ATOM 0 HA GLU A 82 26.440 -4.551 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 82 27.729 -2.415 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.118 -2.856 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.330 -4.886 6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 82 28.950 -4.431 5.192 1.00 0.00 H new ATOM 1230 N ILE A 83 26.871 -6.480 7.267 1.00 0.00 N ATOM 1231 CA ILE A 83 27.056 -7.709 8.057 1.00 0.00 C ATOM 1232 C ILE A 83 28.179 -8.556 7.413 1.00 0.00 C ATOM 1233 O ILE A 83 28.866 -8.096 6.484 1.00 0.00 O ATOM 1234 CB ILE A 83 25.723 -8.561 8.097 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.325 -8.992 6.651 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.566 -7.792 8.793 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.211 -10.001 6.573 1.00 0.00 C ATOM 0 H ILE A 83 26.822 -6.656 6.263 1.00 0.00 H new ATOM 0 HA ILE A 83 27.322 -7.433 9.077 1.00 0.00 H new ATOM 0 HB ILE A 83 25.909 -9.455 8.692 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.031 -8.104 6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.204 -9.404 6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.669 -8.412 8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 83 24.851 -7.556 9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.365 -6.868 8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 83 24.007 -10.237 5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.505 -10.909 7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.314 -9.589 7.034 1.00 0.00 H new ATOM 1249 N THR A 84 28.362 -9.791 7.908 1.00 0.00 N ATOM 1250 CA THR A 84 29.211 -10.791 7.248 1.00 0.00 C ATOM 1251 C THR A 84 28.404 -11.563 6.199 1.00 0.00 C ATOM 1252 O THR A 84 27.187 -11.730 6.336 1.00 0.00 O ATOM 1253 CB THR A 84 29.820 -11.786 8.277 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.796 -12.256 9.167 1.00 0.00 O ATOM 1255 CG2 THR A 84 30.950 -11.132 9.079 1.00 0.00 C ATOM 0 H THR A 84 27.928 -10.121 8.770 1.00 0.00 H new ATOM 0 HA THR A 84 30.029 -10.261 6.759 1.00 0.00 H new ATOM 0 HB THR A 84 30.239 -12.629 7.728 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.185 -12.883 9.811 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.356 -11.852 9.790 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.739 -10.809 8.400 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.561 -10.269 9.619 1.00 0.00 H new ATOM 1263 N LEU A 85 29.102 -12.042 5.157 1.00 0.00 N ATOM 1264 CA LEU A 85 28.481 -12.836 4.070 1.00 0.00 C ATOM 1265 C LEU A 85 27.911 -14.171 4.596 1.00 0.00 C ATOM 1266 O LEU A 85 26.917 -14.681 4.067 1.00 0.00 O ATOM 1267 CB LEU A 85 29.513 -13.050 2.928 1.00 0.00 C ATOM 1268 CG LEU A 85 28.934 -13.586 1.562 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.649 -12.956 0.357 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.982 -15.127 1.473 1.00 0.00 C ATOM 0 H LEU A 85 30.104 -11.895 5.039 1.00 0.00 H new ATOM 0 HA LEU A 85 27.633 -12.282 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.017 -12.102 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.272 -13.750 3.278 1.00 0.00 H new ATOM 0 HG LEU A 85 27.887 -13.285 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.223 -13.350 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.521 -11.874 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.711 -13.197 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.573 -15.449 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 85 30.015 -15.464 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.392 -15.557 2.282 1.00 0.00 H new ATOM 1282 N GLN A 86 28.555 -14.714 5.650 1.00 0.00 N ATOM 1283 CA GLN A 86 28.089 -15.931 6.335 1.00 0.00 C ATOM 1284 C GLN A 86 26.711 -15.691 6.984 1.00 0.00 C ATOM 1285 O GLN A 86 25.828 -16.549 6.896 1.00 0.00 O ATOM 1286 CB GLN A 86 29.121 -16.372 7.409 1.00 0.00 C ATOM 1287 CG GLN A 86 28.745 -17.668 8.168 1.00 0.00 C ATOM 1288 CD GLN A 86 29.749 -18.101 9.253 1.00 0.00 C ATOM 1289 OE1 GLN A 86 29.905 -19.292 9.521 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.406 -17.153 9.911 1.00 0.00 N ATOM 0 H GLN A 86 29.409 -14.321 6.046 1.00 0.00 H new ATOM 0 HA GLN A 86 27.990 -16.727 5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.088 -16.516 6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.242 -15.565 8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.769 -17.529 8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.642 -18.478 7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 86 30.261 -16.172 9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.056 -17.406 10.656 1.00 0.00 H new ATOM 1299 N ASP A 87 26.547 -14.496 7.606 1.00 0.00 N ATOM 1300 CA ASP A 87 25.304 -14.097 8.305 1.00 0.00 C ATOM 1301 C ASP A 87 24.112 -14.052 7.333 1.00 0.00 C ATOM 1302 O ASP A 87 22.987 -14.321 7.726 1.00 0.00 O ATOM 1303 CB ASP A 87 25.477 -12.722 9.013 1.00 0.00 C ATOM 1304 CG ASP A 87 24.417 -12.462 10.103 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.545 -13.031 11.206 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.460 -11.699 9.869 1.00 0.00 O ATOM 0 H ASP A 87 27.276 -13.783 7.636 1.00 0.00 H new ATOM 0 HA ASP A 87 25.098 -14.851 9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.469 -12.674 9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.425 -11.928 8.268 1.00 0.00 H new ATOM 1311 N ALA A 88 24.383 -13.717 6.058 1.00 0.00 N ATOM 1312 CA ALA A 88 23.365 -13.716 4.986 1.00 0.00 C ATOM 1313 C ALA A 88 22.829 -15.127 4.728 1.00 0.00 C ATOM 1314 O ALA A 88 21.619 -15.337 4.644 1.00 0.00 O ATOM 1315 CB ALA A 88 23.953 -13.130 3.706 1.00 0.00 C ATOM 0 H ALA A 88 25.312 -13.440 5.740 1.00 0.00 H new ATOM 0 HA ALA A 88 22.530 -13.096 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.195 -13.134 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.279 -12.106 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.806 -13.731 3.389 1.00 0.00 H new ATOM 1321 N ILE A 89 23.760 -16.085 4.650 1.00 0.00 N ATOM 1322 CA ILE A 89 23.459 -17.491 4.342 1.00 0.00 C ATOM 1323 C ILE A 89 22.646 -18.147 5.487 1.00 0.00 C ATOM 1324 O ILE A 89 21.678 -18.860 5.231 1.00 0.00 O ATOM 1325 CB ILE A 89 24.794 -18.295 4.080 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.611 -17.644 2.911 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.518 -19.795 3.781 1.00 0.00 C ATOM 1328 CD1 ILE A 89 27.024 -18.182 2.731 1.00 0.00 C ATOM 0 H ILE A 89 24.753 -15.906 4.800 1.00 0.00 H new ATOM 0 HA ILE A 89 22.852 -17.519 3.437 1.00 0.00 H new ATOM 0 HB ILE A 89 25.387 -18.246 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 89 25.062 -17.790 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.668 -16.569 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.462 -20.311 3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 89 24.009 -20.248 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.889 -19.880 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.505 -17.669 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.597 -18.012 3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.982 -19.251 2.523 1.00 0.00 H new ATOM 1340 N LYS A 90 23.040 -17.879 6.745 1.00 0.00 N ATOM 1341 CA LYS A 90 22.419 -18.527 7.929 1.00 0.00 C ATOM 1342 C LYS A 90 21.168 -17.781 8.424 1.00 0.00 C ATOM 1343 O LYS A 90 20.192 -18.408 8.838 1.00 0.00 O ATOM 1344 CB LYS A 90 23.437 -18.653 9.101 1.00 0.00 C ATOM 1345 CG LYS A 90 24.140 -17.343 9.521 1.00 0.00 C ATOM 1346 CD LYS A 90 24.924 -17.439 10.857 1.00 0.00 C ATOM 1347 CE LYS A 90 26.103 -18.439 10.841 1.00 0.00 C ATOM 1348 NZ LYS A 90 25.677 -19.870 10.893 1.00 0.00 N ATOM 0 H LYS A 90 23.784 -17.220 6.974 1.00 0.00 H new ATOM 0 HA LYS A 90 22.113 -19.521 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.916 -19.059 9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.200 -19.379 8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.828 -17.044 8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.392 -16.555 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.307 -16.450 11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.232 -17.726 11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.693 -18.277 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.755 -18.232 11.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.255 -20.379 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.675 -19.924 11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.804 -20.304 9.956 1.00 0.00 H new ATOM 1362 N ASN A 91 21.208 -16.445 8.380 1.00 0.00 N ATOM 1363 CA ASN A 91 20.228 -15.588 9.080 1.00 0.00 C ATOM 1364 C ASN A 91 19.460 -14.700 8.078 1.00 0.00 C ATOM 1365 O ASN A 91 19.029 -13.619 8.439 1.00 0.00 O ATOM 1366 CB ASN A 91 20.997 -14.707 10.121 1.00 0.00 C ATOM 1367 CG ASN A 91 20.098 -14.028 11.158 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.194 -14.649 11.719 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.290 -12.735 11.358 1.00 0.00 N ATOM 0 H ASN A 91 21.915 -15.923 7.862 1.00 0.00 H new ATOM 0 HA ASN A 91 19.495 -16.212 9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.724 -15.331 10.641 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.558 -13.941 9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.680 -12.221 11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.049 -12.252 10.877 1.00 0.00 H new ATOM 1376 N ALA A 92 19.257 -15.191 6.838 1.00 0.00 N ATOM 1377 CA ALA A 92 18.603 -14.424 5.738 1.00 0.00 C ATOM 1378 C ALA A 92 17.320 -13.694 6.191 1.00 0.00 C ATOM 1379 O ALA A 92 17.246 -12.444 6.167 1.00 0.00 O ATOM 1380 CB ALA A 92 18.292 -15.369 4.578 1.00 0.00 C ATOM 0 H ALA A 92 19.540 -16.132 6.563 1.00 0.00 H new ATOM 0 HA ALA A 92 19.302 -13.651 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 92 17.814 -14.811 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.218 -15.813 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.622 -16.158 4.921 1.00 0.00 H new ATOM 1386 N ALA A 93 16.340 -14.498 6.646 1.00 0.00 N ATOM 1387 CA ALA A 93 15.089 -13.996 7.215 1.00 0.00 C ATOM 1388 C ALA A 93 15.372 -13.093 8.413 1.00 0.00 C ATOM 1389 O ALA A 93 14.842 -11.996 8.473 1.00 0.00 O ATOM 1390 CB ALA A 93 14.169 -15.156 7.617 1.00 0.00 C ATOM 0 H ALA A 93 16.401 -15.516 6.626 1.00 0.00 H new ATOM 0 HA ALA A 93 14.578 -13.408 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.245 -14.759 8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 93 13.938 -15.759 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.669 -15.776 8.361 1.00 0.00 H new ATOM 1396 N GLY A 94 16.271 -13.565 9.311 1.00 0.00 N ATOM 1397 CA GLY A 94 16.584 -12.886 10.570 1.00 0.00 C ATOM 1398 C GLY A 94 17.023 -11.434 10.398 1.00 0.00 C ATOM 1399 O GLY A 94 16.536 -10.556 11.100 1.00 0.00 O ATOM 0 H GLY A 94 16.794 -14.429 9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.706 -12.916 11.215 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.374 -13.436 11.081 1.00 0.00 H new ATOM 1403 N ILE A 95 17.915 -11.189 9.431 1.00 0.00 N ATOM 1404 CA ILE A 95 18.440 -9.847 9.120 1.00 0.00 C ATOM 1405 C ILE A 95 17.291 -8.946 8.661 1.00 0.00 C ATOM 1406 O ILE A 95 17.010 -7.908 9.264 1.00 0.00 O ATOM 1407 CB ILE A 95 19.503 -9.926 7.962 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.662 -10.907 8.311 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.065 -8.523 7.603 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.260 -11.582 7.100 1.00 0.00 C ATOM 0 H ILE A 95 18.299 -11.922 8.834 1.00 0.00 H new ATOM 0 HA ILE A 95 18.909 -9.443 10.017 1.00 0.00 H new ATOM 0 HB ILE A 95 18.985 -10.315 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.445 -10.361 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.290 -11.669 8.996 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.796 -8.618 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.250 -7.877 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.544 -8.088 8.480 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.061 -12.251 7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.489 -12.156 6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.662 -10.827 6.424 1.00 0.00 H new ATOM 1422 N ILE A 96 16.620 -9.415 7.597 1.00 0.00 N ATOM 1423 CA ILE A 96 15.584 -8.664 6.883 1.00 0.00 C ATOM 1424 C ILE A 96 14.404 -8.296 7.820 1.00 0.00 C ATOM 1425 O ILE A 96 13.978 -7.143 7.833 1.00 0.00 O ATOM 1426 CB ILE A 96 15.130 -9.499 5.625 1.00 0.00 C ATOM 1427 CG1 ILE A 96 16.323 -9.574 4.598 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.852 -8.928 4.967 1.00 0.00 C ATOM 1429 CD1 ILE A 96 16.132 -10.535 3.445 1.00 0.00 C ATOM 0 H ILE A 96 16.787 -10.342 7.205 1.00 0.00 H new ATOM 0 HA ILE A 96 15.988 -7.713 6.536 1.00 0.00 H new ATOM 0 HB ILE A 96 14.872 -10.505 5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.493 -8.577 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 96 17.227 -9.857 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.582 -9.539 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 96 13.036 -8.938 5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.037 -7.904 4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.010 -10.508 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.996 -11.545 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 96 15.252 -10.245 2.872 1.00 0.00 H new ATOM 1441 N LYS A 97 13.938 -9.272 8.643 1.00 0.00 N ATOM 1442 CA LYS A 97 12.810 -9.064 9.592 1.00 0.00 C ATOM 1443 C LYS A 97 13.183 -8.093 10.723 1.00 0.00 C ATOM 1444 O LYS A 97 12.311 -7.392 11.242 1.00 0.00 O ATOM 1445 CB LYS A 97 12.267 -10.415 10.174 1.00 0.00 C ATOM 1446 CG LYS A 97 13.273 -11.297 10.982 1.00 0.00 C ATOM 1447 CD LYS A 97 13.494 -10.906 12.470 1.00 0.00 C ATOM 1448 CE LYS A 97 12.227 -10.999 13.321 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.515 -10.727 14.753 1.00 0.00 N ATOM 0 H LYS A 97 14.327 -10.214 8.669 1.00 0.00 H new ATOM 0 HA LYS A 97 12.005 -8.610 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.420 -10.188 10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.884 -11.011 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.926 -12.330 10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.237 -11.268 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.258 -11.555 12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.879 -9.887 12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.488 -10.286 12.955 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.790 -11.992 13.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.103 -11.481 15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.544 -10.697 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.100 -9.813 15.023 1.00 0.00 H new ATOM 1463 N GLU A 98 14.479 -8.088 11.118 1.00 0.00 N ATOM 1464 CA GLU A 98 15.000 -7.152 12.133 1.00 0.00 C ATOM 1465 C GLU A 98 14.890 -5.711 11.629 1.00 0.00 C ATOM 1466 O GLU A 98 14.587 -4.803 12.398 1.00 0.00 O ATOM 1467 CB GLU A 98 16.474 -7.478 12.508 1.00 0.00 C ATOM 1468 CG GLU A 98 16.670 -8.668 13.464 1.00 0.00 C ATOM 1469 CD GLU A 98 15.956 -8.518 14.813 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.356 -7.647 15.605 1.00 0.00 O ATOM 1471 OE2 GLU A 98 15.008 -9.286 15.087 1.00 0.00 O ATOM 0 H GLU A 98 15.182 -8.726 10.745 1.00 0.00 H new ATOM 0 HA GLU A 98 14.394 -7.265 13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.028 -7.677 11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.919 -6.593 12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.312 -9.574 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.737 -8.803 13.644 1.00 0.00 H new ATOM 1478 N ILE A 99 15.116 -5.520 10.323 1.00 0.00 N ATOM 1479 CA ILE A 99 15.076 -4.187 9.705 1.00 0.00 C ATOM 1480 C ILE A 99 13.614 -3.787 9.419 1.00 0.00 C ATOM 1481 O ILE A 99 13.259 -2.610 9.491 1.00 0.00 O ATOM 1482 CB ILE A 99 15.940 -4.139 8.396 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.339 -4.813 8.625 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.122 -2.678 7.922 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.101 -5.144 7.352 1.00 0.00 C ATOM 0 H ILE A 99 15.329 -6.275 9.671 1.00 0.00 H new ATOM 0 HA ILE A 99 15.507 -3.469 10.403 1.00 0.00 H new ATOM 0 HB ILE A 99 15.413 -4.696 7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 99 17.951 -4.150 9.236 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.196 -5.731 9.196 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.724 -2.663 7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.146 -2.237 7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.625 -2.103 8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.054 -5.606 7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.515 -5.835 6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.281 -4.229 6.788 1.00 0.00 H new ATOM 1497 N GLU A 100 12.784 -4.798 9.112 1.00 0.00 N ATOM 1498 CA GLU A 100 11.322 -4.657 8.939 1.00 0.00 C ATOM 1499 C GLU A 100 10.669 -4.081 10.200 1.00 0.00 C ATOM 1500 O GLU A 100 9.928 -3.104 10.120 1.00 0.00 O ATOM 1501 CB GLU A 100 10.697 -6.044 8.600 1.00 0.00 C ATOM 1502 CG GLU A 100 10.976 -6.539 7.167 1.00 0.00 C ATOM 1503 CD GLU A 100 9.921 -6.078 6.145 1.00 0.00 C ATOM 1504 OE1 GLU A 100 9.973 -4.899 5.717 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.031 -6.874 5.775 1.00 0.00 O ATOM 0 H GLU A 100 13.112 -5.754 8.974 1.00 0.00 H new ATOM 0 HA GLU A 100 11.138 -3.964 8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.078 -6.782 9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.619 -5.988 8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.957 -6.182 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.018 -7.628 7.168 1.00 0.00 H new ATOM 1512 N GLU A 101 10.975 -4.693 11.361 1.00 0.00 N ATOM 1513 CA GLU A 101 10.379 -4.305 12.650 1.00 0.00 C ATOM 1514 C GLU A 101 10.950 -2.958 13.141 1.00 0.00 C ATOM 1515 O GLU A 101 10.224 -2.168 13.739 1.00 0.00 O ATOM 1516 CB GLU A 101 10.579 -5.413 13.717 1.00 0.00 C ATOM 1517 CG GLU A 101 12.042 -5.706 14.078 1.00 0.00 C ATOM 1518 CD GLU A 101 12.202 -6.701 15.232 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.207 -7.923 14.993 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.320 -6.256 16.395 1.00 0.00 O ATOM 0 H GLU A 101 11.638 -5.465 11.429 1.00 0.00 H new ATOM 0 HA GLU A 101 9.307 -4.180 12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.047 -5.124 14.624 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.118 -6.332 13.356 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.553 -6.097 13.198 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.536 -4.771 14.344 1.00 0.00 H new ATOM 1527 N MET A 102 12.255 -2.702 12.867 1.00 0.00 N ATOM 1528 CA MET A 102 12.911 -1.426 13.235 1.00 0.00 C ATOM 1529 C MET A 102 12.261 -0.255 12.488 1.00 0.00 C ATOM 1530 O MET A 102 11.947 0.773 13.099 1.00 0.00 O ATOM 1531 CB MET A 102 14.446 -1.451 12.962 1.00 0.00 C ATOM 1532 CG MET A 102 15.280 -2.225 13.995 1.00 0.00 C ATOM 1533 SD MET A 102 17.071 -2.034 13.773 1.00 0.00 S ATOM 1534 CE MET A 102 17.338 -2.662 12.116 1.00 0.00 C ATOM 0 H MET A 102 12.871 -3.363 12.393 1.00 0.00 H new ATOM 0 HA MET A 102 12.772 -1.292 14.308 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.617 -1.889 11.979 1.00 0.00 H new ATOM 0 HB3 MET A 102 14.809 -0.424 12.921 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.008 -1.888 14.995 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.026 -3.283 13.935 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.408 -2.713 11.914 1.00 0.00 H new ATOM 0 HE2 MET A 102 16.905 -3.659 12.031 1.00 0.00 H new ATOM 0 HE3 MET A 102 16.864 -1.997 11.394 1.00 0.00 H new ATOM 1544 N ILE A 103 12.044 -0.436 11.167 1.00 0.00 N ATOM 1545 CA ILE A 103 11.370 0.573 10.328 1.00 0.00 C ATOM 1546 C ILE A 103 9.893 0.709 10.743 1.00 0.00 C ATOM 1547 O ILE A 103 9.389 1.817 10.875 1.00 0.00 O ATOM 1548 CB ILE A 103 11.523 0.288 8.780 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.038 0.393 8.373 1.00 0.00 C ATOM 1550 CG2 ILE A 103 10.637 1.234 7.914 1.00 0.00 C ATOM 1551 CD1 ILE A 103 13.332 0.357 6.880 1.00 0.00 C ATOM 0 H ILE A 103 12.327 -1.274 10.660 1.00 0.00 H new ATOM 0 HA ILE A 103 11.868 1.527 10.501 1.00 0.00 H new ATOM 0 HB ILE A 103 11.169 -0.724 8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.439 1.321 8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.579 -0.424 8.850 1.00 0.00 H new ATOM 0 HG21 ILE A 103 10.777 0.999 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 103 9.589 1.096 8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.924 2.270 8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.407 0.437 6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.971 -0.582 6.461 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.829 1.191 6.390 1.00 0.00 H new ATOM 1563 N ALA A 104 9.238 -0.425 11.031 1.00 0.00 N ATOM 1564 CA ALA A 104 7.821 -0.450 11.452 1.00 0.00 C ATOM 1565 C ALA A 104 7.615 0.250 12.814 1.00 0.00 C ATOM 1566 O ALA A 104 6.525 0.744 13.097 1.00 0.00 O ATOM 1567 CB ALA A 104 7.309 -1.899 11.504 1.00 0.00 C ATOM 0 H ALA A 104 9.669 -1.348 10.981 1.00 0.00 H new ATOM 0 HA ALA A 104 7.244 0.104 10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.264 -1.905 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.396 -2.351 10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.903 -2.470 12.218 1.00 0.00 H new ATOM 1573 N SER A 105 8.678 0.306 13.634 1.00 0.00 N ATOM 1574 CA SER A 105 8.615 0.866 14.996 1.00 0.00 C ATOM 1575 C SER A 105 8.951 2.369 14.985 1.00 0.00 C ATOM 1576 O SER A 105 8.404 3.129 15.783 1.00 0.00 O ATOM 1577 CB SER A 105 9.576 0.088 15.929 1.00 0.00 C ATOM 1578 OG SER A 105 9.426 0.465 17.292 1.00 0.00 O ATOM 0 H SER A 105 9.603 -0.035 13.373 1.00 0.00 H new ATOM 0 HA SER A 105 7.599 0.758 15.375 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.391 -0.981 15.827 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.605 0.265 15.616 1.00 0.00 H new ATOM 0 HG SER A 105 10.050 -0.051 17.845 1.00 0.00 H new ATOM 1584 N GLU A 106 9.855 2.793 14.075 1.00 0.00 N ATOM 1585 CA GLU A 106 10.278 4.212 13.963 1.00 0.00 C ATOM 1586 C GLU A 106 9.252 5.029 13.151 1.00 0.00 C ATOM 1587 O GLU A 106 9.105 6.236 13.364 1.00 0.00 O ATOM 1588 CB GLU A 106 11.691 4.311 13.331 1.00 0.00 C ATOM 1589 CG GLU A 106 11.770 3.806 11.883 1.00 0.00 C ATOM 1590 CD GLU A 106 13.187 3.839 11.290 1.00 0.00 C ATOM 1591 OE1 GLU A 106 13.622 4.913 10.819 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.868 2.792 11.298 1.00 0.00 O ATOM 0 H GLU A 106 10.309 2.173 13.404 1.00 0.00 H new ATOM 0 HA GLU A 106 10.324 4.635 14.966 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.017 5.351 13.360 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.391 3.740 13.942 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.394 2.784 11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.112 4.412 11.261 1.00 0.00 H new ATOM 1599 N GLN A 107 8.551 4.354 12.220 1.00 0.00 N ATOM 1600 CA GLN A 107 7.471 4.968 11.425 1.00 0.00 C ATOM 1601 C GLN A 107 6.178 5.029 12.248 1.00 0.00 C ATOM 1602 O GLN A 107 5.407 5.984 12.126 1.00 0.00 O ATOM 1603 CB GLN A 107 7.227 4.181 10.108 1.00 0.00 C ATOM 1604 CG GLN A 107 8.431 4.147 9.134 1.00 0.00 C ATOM 1605 CD GLN A 107 8.877 5.521 8.626 1.00 0.00 C ATOM 1606 OE1 GLN A 107 8.074 6.439 8.466 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.165 5.659 8.352 1.00 0.00 N ATOM 0 H GLN A 107 8.717 3.372 11.999 1.00 0.00 H new ATOM 0 HA GLN A 107 7.778 5.981 11.164 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.953 3.156 10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.374 4.621 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.273 3.668 9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.172 3.524 8.278 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.804 4.877 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.518 6.547 7.997 1.00 0.00 H new ATOM 1616 N GLN A 108 5.939 3.990 13.074 1.00 0.00 N ATOM 1617 CA GLN A 108 4.758 3.915 13.956 1.00 0.00 C ATOM 1618 C GLN A 108 5.209 4.071 15.433 1.00 0.00 C ATOM 1619 O GLN A 108 5.416 3.060 16.133 1.00 0.00 O ATOM 1620 CB GLN A 108 3.975 2.583 13.709 1.00 0.00 C ATOM 1621 CG GLN A 108 3.644 2.290 12.228 1.00 0.00 C ATOM 1622 CD GLN A 108 2.856 3.407 11.525 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.068 4.127 12.136 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.085 3.578 10.232 1.00 0.00 N ATOM 1625 OXT GLN A 108 5.404 5.223 15.868 1.00 0.00 O ATOM 0 H GLN A 108 6.557 3.182 13.148 1.00 0.00 H new ATOM 0 HA GLN A 108 4.071 4.730 13.728 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.561 1.754 14.106 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.044 2.615 14.275 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.575 2.121 11.686 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.070 1.365 12.172 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.743 2.969 9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.604 4.319 9.722 1.00 0.00 H new TER 1634 GLN A 108