USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 SER OG : rot 180:sc= 0.171 USER MOD Set 1.2: A 36 GLN : amide:sc= 0.951 K(o=1.1,f=0.039) USER MOD Set 2.1: A 26 SER OG : rot 89:sc= 2.36 USER MOD Set 2.2: A 75 TYR OH : rot 170:sc= 1.21 USER MOD Set 3.1: A 13 ASN : amide:sc= 1.87 K(o=3,f=-7.2!) USER MOD Set 3.2: A 77 LYS NZ :NH3+ -161:sc= 1.08 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.0609 X(o=0.061,f=0.055) USER MOD Single : A 7 GLN : amide:sc= 0.857 K(o=0.86,f=-0.37) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 15 ASN : amide:sc= -0.351 K(o=-0.35,f=-5.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 1.31 (180deg=1.23) USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= 0.767 (180deg=0.411) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 1.12 K(o=1.1,f=-0.28) USER MOD Single : A 51 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.71) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 63 SER OG : rot -170:sc= -0.219 USER MOD Single : A 64 ASN : amide:sc= 1.83 K(o=1.8,f=-3.2!) USER MOD Single : A 68 THR OG1 : rot 93:sc= 1.51 USER MOD Single : A 69 MET CE :methyl 173:sc= -1.56 (180deg=-1.85) USER MOD Single : A 70 GLN : amide:sc= 1.06 K(o=1.1,f=-6.4!) USER MOD Single : A 79 MET CE :methyl -163:sc= -0.17 (180deg=-0.971) USER MOD Single : A 80 GLN : amide:sc= 0.941 K(o=0.94,f=-0.045) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 5 8.637 -21.810 -4.109 1.00 0.00 N ATOM 72 CA PRO A 5 9.853 -21.980 -4.891 1.00 0.00 C ATOM 73 C PRO A 5 9.596 -22.183 -6.383 1.00 0.00 C ATOM 74 O PRO A 5 8.874 -23.095 -6.795 1.00 0.00 O ATOM 75 CB PRO A 5 10.605 -23.145 -4.248 1.00 0.00 C ATOM 76 CG PRO A 5 10.205 -23.013 -2.786 1.00 0.00 C ATOM 77 CD PRO A 5 8.737 -22.603 -2.889 1.00 0.00 C ATOM 0 HA PRO A 5 10.452 -21.069 -4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.305 -24.105 -4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.683 -23.060 -4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.329 -23.950 -2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.802 -22.263 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.088 -23.477 -2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.430 -22.024 -2.018 1.00 0.00 H new ATOM 85 N ASN A 6 10.244 -21.342 -7.187 1.00 0.00 N ATOM 86 CA ASN A 6 10.343 -21.422 -8.637 1.00 0.00 C ATOM 87 C ASN A 6 11.643 -20.713 -9.000 1.00 0.00 C ATOM 88 O ASN A 6 11.992 -19.748 -8.327 1.00 0.00 O ATOM 89 CB ASN A 6 9.166 -20.691 -9.297 1.00 0.00 C ATOM 90 CG ASN A 6 9.305 -20.741 -10.812 1.00 0.00 C ATOM 91 OD1 ASN A 6 9.247 -21.808 -11.411 1.00 0.00 O ATOM 92 ND2 ASN A 6 9.551 -19.616 -11.458 1.00 0.00 N ATOM 0 H ASN A 6 10.745 -20.535 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 6 10.325 -22.457 -8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.226 -21.152 -8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.136 -19.655 -8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.695 -19.629 -12.468 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.597 -18.734 -10.947 1.00 0.00 H new ATOM 99 N GLN A 7 12.366 -21.158 -10.032 1.00 0.00 N ATOM 100 CA GLN A 7 13.718 -20.664 -10.328 1.00 0.00 C ATOM 101 C GLN A 7 13.736 -19.186 -10.765 1.00 0.00 C ATOM 102 O GLN A 7 14.801 -18.564 -10.807 1.00 0.00 O ATOM 103 CB GLN A 7 14.358 -21.590 -11.380 1.00 0.00 C ATOM 104 CG GLN A 7 15.882 -21.415 -11.475 1.00 0.00 C ATOM 105 CD GLN A 7 16.574 -22.395 -12.426 1.00 0.00 C ATOM 106 OE1 GLN A 7 15.983 -23.327 -12.968 1.00 0.00 O ATOM 107 NE2 GLN A 7 17.860 -22.193 -12.646 1.00 0.00 N ATOM 0 H GLN A 7 12.034 -21.868 -10.685 1.00 0.00 H new ATOM 0 HA GLN A 7 14.308 -20.690 -9.412 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.130 -22.627 -11.132 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.912 -21.390 -12.354 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.099 -20.398 -11.801 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.311 -21.529 -10.480 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.339 -21.416 -12.191 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.374 -22.814 -13.271 1.00 0.00 H new ATOM 116 N THR A 8 12.569 -18.618 -11.061 1.00 0.00 N ATOM 117 CA THR A 8 12.407 -17.309 -11.660 1.00 0.00 C ATOM 118 C THR A 8 11.378 -16.534 -10.833 1.00 0.00 C ATOM 119 O THR A 8 10.422 -17.111 -10.294 1.00 0.00 O ATOM 120 CB THR A 8 11.985 -17.505 -13.129 1.00 0.00 C ATOM 121 OG1 THR A 8 12.866 -18.415 -13.766 1.00 0.00 O ATOM 122 CG2 THR A 8 11.943 -16.196 -13.925 1.00 0.00 C ATOM 0 H THR A 8 11.679 -19.082 -10.880 1.00 0.00 H new ATOM 0 HA THR A 8 13.330 -16.729 -11.660 1.00 0.00 H new ATOM 0 HB THR A 8 10.970 -17.902 -13.111 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.592 -18.537 -14.699 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.639 -16.404 -14.951 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.228 -15.514 -13.466 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.932 -15.738 -13.925 1.00 0.00 H new ATOM 130 N ILE A 9 11.581 -15.222 -10.730 1.00 0.00 N ATOM 131 CA ILE A 9 10.749 -14.309 -9.955 1.00 0.00 C ATOM 132 C ILE A 9 10.346 -13.150 -10.875 1.00 0.00 C ATOM 133 O ILE A 9 10.931 -12.970 -11.947 1.00 0.00 O ATOM 134 CB ILE A 9 11.463 -13.872 -8.643 1.00 0.00 C ATOM 135 CG1 ILE A 9 12.483 -12.739 -8.882 1.00 0.00 C ATOM 136 CG2 ILE A 9 12.114 -15.082 -7.937 1.00 0.00 C ATOM 137 CD1 ILE A 9 13.313 -12.342 -7.651 1.00 0.00 C ATOM 0 H ILE A 9 12.355 -14.752 -11.200 1.00 0.00 H new ATOM 0 HA ILE A 9 9.837 -14.797 -9.612 1.00 0.00 H new ATOM 0 HB ILE A 9 10.698 -13.468 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.163 -13.045 -9.677 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.949 -11.859 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.606 -14.749 -7.023 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.346 -15.815 -7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.850 -15.537 -8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.000 -11.539 -7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.647 -12.000 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.881 -13.204 -7.302 1.00 0.00 H new ATOM 149 N TYR A 10 9.360 -12.367 -10.450 1.00 0.00 N ATOM 150 CA TYR A 10 8.771 -11.262 -11.190 1.00 0.00 C ATOM 151 C TYR A 10 8.706 -10.079 -10.237 1.00 0.00 C ATOM 152 O TYR A 10 8.195 -10.206 -9.123 1.00 0.00 O ATOM 153 CB TYR A 10 7.372 -11.657 -11.679 1.00 0.00 C ATOM 154 CG TYR A 10 6.573 -10.548 -12.350 1.00 0.00 C ATOM 155 CD1 TYR A 10 7.036 -9.956 -13.540 1.00 0.00 C ATOM 156 CD2 TYR A 10 5.338 -10.137 -11.808 1.00 0.00 C ATOM 157 CE1 TYR A 10 6.266 -8.984 -14.203 1.00 0.00 C ATOM 158 CE2 TYR A 10 4.558 -9.169 -12.468 1.00 0.00 C ATOM 159 CZ TYR A 10 5.020 -8.586 -13.671 1.00 0.00 C ATOM 160 OH TYR A 10 4.268 -7.650 -14.324 1.00 0.00 O ATOM 0 H TYR A 10 8.930 -12.494 -9.534 1.00 0.00 H new ATOM 0 HA TYR A 10 9.363 -11.005 -12.069 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.472 -12.484 -12.382 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.801 -12.029 -10.828 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.992 -10.251 -13.948 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.989 -10.567 -10.881 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.628 -8.542 -15.119 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.605 -8.871 -12.055 1.00 0.00 H new ATOM 0 HH TYR A 10 3.439 -7.490 -13.826 1.00 0.00 H new ATOM 170 N ILE A 11 9.244 -8.947 -10.674 1.00 0.00 N ATOM 171 CA ILE A 11 9.392 -7.710 -9.922 1.00 0.00 C ATOM 172 C ILE A 11 8.392 -6.766 -10.589 1.00 0.00 C ATOM 173 O ILE A 11 8.444 -6.604 -11.809 1.00 0.00 O ATOM 174 CB ILE A 11 10.871 -7.252 -10.023 1.00 0.00 C ATOM 175 CG1 ILE A 11 11.802 -8.255 -9.291 1.00 0.00 C ATOM 176 CG2 ILE A 11 11.067 -5.832 -9.466 1.00 0.00 C ATOM 177 CD1 ILE A 11 13.292 -8.121 -9.628 1.00 0.00 C ATOM 0 H ILE A 11 9.611 -8.865 -11.622 1.00 0.00 H new ATOM 0 HA ILE A 11 9.185 -7.776 -8.854 1.00 0.00 H new ATOM 0 HB ILE A 11 11.137 -7.231 -11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.675 -8.127 -8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.480 -9.268 -9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.116 -5.548 -9.555 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.452 -5.131 -10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.772 -5.809 -8.417 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.860 -8.864 -9.068 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.439 -8.281 -10.696 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.637 -7.122 -9.360 1.00 0.00 H new ATOM 189 N ASN A 12 7.494 -6.149 -9.813 1.00 0.00 N ATOM 190 CA ASN A 12 6.340 -5.413 -10.347 1.00 0.00 C ATOM 191 C ASN A 12 6.105 -4.027 -9.729 1.00 0.00 C ATOM 192 O ASN A 12 5.041 -3.443 -9.940 1.00 0.00 O ATOM 193 CB ASN A 12 5.084 -6.301 -10.265 1.00 0.00 C ATOM 194 CG ASN A 12 4.614 -6.575 -8.838 1.00 0.00 C ATOM 195 OD1 ASN A 12 3.908 -5.779 -8.227 1.00 0.00 O ATOM 196 ND2 ASN A 12 4.977 -7.721 -8.280 1.00 0.00 N ATOM 0 H ASN A 12 7.546 -6.145 -8.794 1.00 0.00 H new ATOM 0 HA ASN A 12 6.573 -5.191 -11.388 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.276 -5.823 -10.818 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.289 -7.251 -10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.669 -7.948 -7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.564 -8.376 -8.796 1.00 0.00 H new ATOM 203 N ASN A 13 7.088 -3.466 -9.013 1.00 0.00 N ATOM 204 CA ASN A 13 7.068 -2.070 -8.561 1.00 0.00 C ATOM 205 C ASN A 13 8.439 -1.431 -8.799 1.00 0.00 C ATOM 206 O ASN A 13 9.000 -0.763 -7.931 1.00 0.00 O ATOM 207 CB ASN A 13 6.580 -1.943 -7.107 1.00 0.00 C ATOM 208 CG ASN A 13 6.288 -0.489 -6.732 1.00 0.00 C ATOM 209 OD1 ASN A 13 5.732 0.277 -7.518 1.00 0.00 O ATOM 210 ND2 ASN A 13 6.624 -0.067 -5.525 1.00 0.00 N ATOM 0 H ASN A 13 7.926 -3.973 -8.729 1.00 0.00 H new ATOM 0 HA ASN A 13 6.340 -1.515 -9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.679 -2.541 -6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.335 -2.348 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.422 0.893 -5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.085 -0.702 -4.873 1.00 0.00 H new ATOM 217 N LEU A 14 9.025 -1.725 -9.962 1.00 0.00 N ATOM 218 CA LEU A 14 10.316 -1.196 -10.388 1.00 0.00 C ATOM 219 C LEU A 14 10.108 0.281 -10.739 1.00 0.00 C ATOM 220 O LEU A 14 9.130 0.609 -11.417 1.00 0.00 O ATOM 221 CB LEU A 14 10.775 -2.008 -11.616 1.00 0.00 C ATOM 222 CG LEU A 14 12.287 -2.234 -11.761 1.00 0.00 C ATOM 223 CD1 LEU A 14 12.487 -3.111 -13.004 1.00 0.00 C ATOM 224 CD2 LEU A 14 13.098 -0.943 -11.911 1.00 0.00 C ATOM 0 H LEU A 14 8.603 -2.352 -10.647 1.00 0.00 H new ATOM 0 HA LEU A 14 11.079 -1.275 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.286 -2.982 -11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.418 -1.502 -12.513 1.00 0.00 H new ATOM 0 HG LEU A 14 12.652 -2.704 -10.847 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.551 -3.300 -13.149 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.966 -4.059 -12.868 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.087 -2.599 -13.879 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.156 -1.187 -12.008 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.766 -0.406 -12.800 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.950 -0.316 -11.032 1.00 0.00 H new ATOM 236 N ASN A 15 10.996 1.179 -10.300 1.00 0.00 N ATOM 237 CA ASN A 15 10.941 2.577 -10.722 1.00 0.00 C ATOM 238 C ASN A 15 11.298 2.654 -12.205 1.00 0.00 C ATOM 239 O ASN A 15 12.434 2.379 -12.591 1.00 0.00 O ATOM 240 CB ASN A 15 11.858 3.464 -9.864 1.00 0.00 C ATOM 241 CG ASN A 15 11.688 4.951 -10.187 1.00 0.00 C ATOM 242 OD1 ASN A 15 11.193 5.338 -11.241 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.077 5.823 -9.273 1.00 0.00 N ATOM 0 H ASN A 15 11.757 0.962 -9.656 1.00 0.00 H new ATOM 0 HA ASN A 15 9.931 2.960 -10.577 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.641 3.296 -8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.896 3.175 -10.026 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.966 6.823 -9.442 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.488 5.496 -8.398 1.00 0.00 H new ATOM 250 N GLU A 16 10.324 3.019 -13.037 1.00 0.00 N ATOM 251 CA GLU A 16 10.438 3.010 -14.490 1.00 0.00 C ATOM 252 C GLU A 16 11.589 3.866 -15.033 1.00 0.00 C ATOM 253 O GLU A 16 12.062 3.598 -16.139 1.00 0.00 O ATOM 254 CB GLU A 16 9.096 3.422 -15.121 1.00 0.00 C ATOM 255 CG GLU A 16 8.631 4.841 -14.752 1.00 0.00 C ATOM 256 CD GLU A 16 7.292 5.188 -15.427 1.00 0.00 C ATOM 257 OE1 GLU A 16 6.220 4.892 -14.853 1.00 0.00 O ATOM 258 OE2 GLU A 16 7.297 5.783 -16.529 1.00 0.00 O ATOM 0 H GLU A 16 9.412 3.337 -12.709 1.00 0.00 H new ATOM 0 HA GLU A 16 10.683 1.987 -14.776 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.181 3.351 -16.205 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.330 2.710 -14.814 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.526 4.921 -13.670 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.390 5.564 -15.053 1.00 0.00 H new ATOM 265 N LYS A 17 12.052 4.883 -14.291 1.00 0.00 N ATOM 266 CA LYS A 17 13.120 5.768 -14.759 1.00 0.00 C ATOM 267 C LYS A 17 14.483 5.073 -14.830 1.00 0.00 C ATOM 268 O LYS A 17 15.379 5.578 -15.507 1.00 0.00 O ATOM 269 CB LYS A 17 13.163 7.054 -13.911 1.00 0.00 C ATOM 270 CG LYS A 17 13.716 6.895 -12.480 1.00 0.00 C ATOM 271 CD LYS A 17 15.186 7.320 -12.340 1.00 0.00 C ATOM 272 CE LYS A 17 15.613 7.231 -10.866 1.00 0.00 C ATOM 273 NZ LYS A 17 17.010 7.691 -10.657 1.00 0.00 N ATOM 0 H LYS A 17 11.699 5.110 -13.361 1.00 0.00 H new ATOM 0 HA LYS A 17 12.885 6.047 -15.786 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.770 7.792 -14.435 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.153 7.459 -13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.108 7.487 -11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.616 5.854 -12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.820 6.678 -12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.317 8.339 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.939 7.834 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.517 6.201 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.254 7.613 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.657 7.100 -11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.098 8.682 -10.959 1.00 0.00 H new ATOM 287 N ILE A 18 14.666 3.957 -14.118 1.00 0.00 N ATOM 288 CA ILE A 18 15.924 3.219 -14.081 1.00 0.00 C ATOM 289 C ILE A 18 16.196 2.682 -15.493 1.00 0.00 C ATOM 290 O ILE A 18 15.329 2.045 -16.099 1.00 0.00 O ATOM 291 CB ILE A 18 15.835 2.122 -12.989 1.00 0.00 C ATOM 292 CG1 ILE A 18 15.577 2.717 -11.582 1.00 0.00 C ATOM 293 CG2 ILE A 18 17.085 1.231 -12.937 1.00 0.00 C ATOM 294 CD1 ILE A 18 16.657 3.670 -11.053 1.00 0.00 C ATOM 0 H ILE A 18 13.933 3.539 -13.545 1.00 0.00 H new ATOM 0 HA ILE A 18 16.771 3.848 -13.806 1.00 0.00 H new ATOM 0 HB ILE A 18 14.984 1.504 -13.276 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.627 3.250 -11.602 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.466 1.895 -10.875 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.966 0.482 -12.154 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.218 0.734 -13.898 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.960 1.844 -12.722 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.374 4.026 -10.062 1.00 0.00 H new ATOM 0 HD12 ILE A 18 17.609 3.143 -10.991 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.756 4.519 -11.729 1.00 0.00 H new ATOM 306 N LYS A 19 17.389 2.960 -16.031 1.00 0.00 N ATOM 307 CA LYS A 19 17.830 2.437 -17.325 1.00 0.00 C ATOM 308 C LYS A 19 17.946 0.917 -17.213 1.00 0.00 C ATOM 309 O LYS A 19 18.266 0.400 -16.146 1.00 0.00 O ATOM 310 CB LYS A 19 19.173 3.103 -17.681 1.00 0.00 C ATOM 311 CG LYS A 19 19.674 2.840 -19.110 1.00 0.00 C ATOM 312 CD LYS A 19 21.064 3.465 -19.310 1.00 0.00 C ATOM 313 CE LYS A 19 21.579 3.206 -20.733 1.00 0.00 C ATOM 314 NZ LYS A 19 23.002 3.595 -20.888 1.00 0.00 N ATOM 0 H LYS A 19 18.079 3.558 -15.576 1.00 0.00 H new ATOM 0 HA LYS A 19 17.121 2.662 -18.122 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.076 4.179 -17.539 1.00 0.00 H new ATOM 0 HB3 LYS A 19 19.930 2.756 -16.978 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.720 1.767 -19.295 1.00 0.00 H new ATOM 0 HG3 LYS A 19 18.972 3.258 -19.832 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.015 4.538 -19.126 1.00 0.00 H new ATOM 0 HD3 LYS A 19 21.763 3.049 -18.584 1.00 0.00 H new ATOM 0 HE2 LYS A 19 21.464 2.149 -20.974 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.971 3.763 -21.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 23.267 3.549 -21.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 23.137 4.565 -20.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 23.601 2.944 -20.341 1.00 0.00 H new ATOM 328 N LYS A 20 17.768 0.175 -18.307 1.00 0.00 N ATOM 329 CA LYS A 20 17.876 -1.290 -18.264 1.00 0.00 C ATOM 330 C LYS A 20 19.277 -1.753 -17.876 1.00 0.00 C ATOM 331 O LYS A 20 19.433 -2.766 -17.201 1.00 0.00 O ATOM 332 CB LYS A 20 17.443 -1.896 -19.608 1.00 0.00 C ATOM 333 CG LYS A 20 16.018 -2.470 -19.505 1.00 0.00 C ATOM 334 CD LYS A 20 14.907 -1.432 -19.238 1.00 0.00 C ATOM 335 CE LYS A 20 13.764 -2.065 -18.426 1.00 0.00 C ATOM 336 NZ LYS A 20 12.519 -1.259 -18.456 1.00 0.00 N ATOM 0 H LYS A 20 17.550 0.557 -19.227 1.00 0.00 H new ATOM 0 HA LYS A 20 17.202 -1.648 -17.486 1.00 0.00 H new ATOM 0 HB2 LYS A 20 17.479 -1.134 -20.386 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.138 -2.683 -19.900 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.787 -2.994 -20.432 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.999 -3.211 -18.706 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.319 -0.581 -18.696 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.522 -1.051 -20.184 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.556 -3.061 -18.817 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.085 -2.189 -17.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.936 -1.490 -17.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.760 -0.247 -18.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.987 -1.474 -19.324 1.00 0.00 H new ATOM 350 N GLU A 21 20.299 -1.005 -18.270 1.00 0.00 N ATOM 351 CA GLU A 21 21.671 -1.257 -17.859 1.00 0.00 C ATOM 352 C GLU A 21 21.841 -1.027 -16.351 1.00 0.00 C ATOM 353 O GLU A 21 22.505 -1.822 -15.688 1.00 0.00 O ATOM 354 CB GLU A 21 22.553 -0.362 -18.730 1.00 0.00 C ATOM 355 CG GLU A 21 24.005 -0.220 -18.253 1.00 0.00 C ATOM 356 CD GLU A 21 24.849 0.581 -19.258 1.00 0.00 C ATOM 357 OE1 GLU A 21 24.560 1.780 -19.478 1.00 0.00 O ATOM 358 OE2 GLU A 21 25.814 0.023 -19.829 1.00 0.00 O ATOM 0 H GLU A 21 20.197 -0.200 -18.889 1.00 0.00 H new ATOM 0 HA GLU A 21 21.964 -2.296 -18.008 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.557 -0.759 -19.745 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.103 0.630 -18.777 1.00 0.00 H new ATOM 0 HG2 GLU A 21 24.024 0.276 -17.283 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.443 -1.209 -18.114 1.00 0.00 H new ATOM 365 N GLU A 22 21.203 0.005 -15.789 1.00 0.00 N ATOM 366 CA GLU A 22 21.232 0.256 -14.350 1.00 0.00 C ATOM 367 C GLU A 22 20.484 -0.853 -13.609 1.00 0.00 C ATOM 368 O GLU A 22 20.965 -1.317 -12.578 1.00 0.00 O ATOM 369 CB GLU A 22 20.608 1.617 -14.014 1.00 0.00 C ATOM 370 CG GLU A 22 21.441 2.812 -14.495 1.00 0.00 C ATOM 371 CD GLU A 22 20.719 4.149 -14.229 1.00 0.00 C ATOM 372 OE1 GLU A 22 19.518 4.283 -14.562 1.00 0.00 O ATOM 373 OE2 GLU A 22 21.362 5.084 -13.695 1.00 0.00 O ATOM 0 H GLU A 22 20.656 0.684 -16.318 1.00 0.00 H new ATOM 0 HA GLU A 22 22.274 0.267 -14.030 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.616 1.673 -14.462 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.474 1.689 -12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.406 2.811 -13.988 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.641 2.711 -15.562 1.00 0.00 H new ATOM 380 N LEU A 23 19.348 -1.319 -14.138 1.00 0.00 N ATOM 381 CA LEU A 23 18.595 -2.457 -13.611 1.00 0.00 C ATOM 382 C LEU A 23 19.503 -3.682 -13.554 1.00 0.00 C ATOM 383 O LEU A 23 19.634 -4.292 -12.492 1.00 0.00 O ATOM 384 CB LEU A 23 17.328 -2.664 -14.483 1.00 0.00 C ATOM 385 CG LEU A 23 16.471 -3.941 -14.311 1.00 0.00 C ATOM 386 CD1 LEU A 23 17.084 -5.198 -14.937 1.00 0.00 C ATOM 387 CD2 LEU A 23 16.120 -4.178 -12.840 1.00 0.00 C ATOM 0 H LEU A 23 18.918 -0.904 -14.964 1.00 0.00 H new ATOM 0 HA LEU A 23 18.257 -2.275 -12.591 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.674 -1.809 -14.312 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.642 -2.622 -15.526 1.00 0.00 H new ATOM 0 HG LEU A 23 15.554 -3.751 -14.869 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.421 -6.047 -14.772 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.216 -5.044 -16.008 1.00 0.00 H new ATOM 0 HD13 LEU A 23 18.052 -5.399 -14.477 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.518 -5.082 -12.751 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.036 -4.294 -12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.556 -3.327 -12.459 1.00 0.00 H new ATOM 399 N LYS A 24 20.165 -4.022 -14.665 1.00 0.00 N ATOM 400 CA LYS A 24 21.056 -5.178 -14.726 1.00 0.00 C ATOM 401 C LYS A 24 22.176 -5.033 -13.701 1.00 0.00 C ATOM 402 O LYS A 24 22.386 -5.948 -12.904 1.00 0.00 O ATOM 403 CB LYS A 24 21.595 -5.359 -16.158 1.00 0.00 C ATOM 404 CG LYS A 24 20.536 -6.038 -17.046 1.00 0.00 C ATOM 405 CD LYS A 24 21.018 -6.325 -18.475 1.00 0.00 C ATOM 406 CE LYS A 24 21.293 -5.037 -19.267 1.00 0.00 C ATOM 407 NZ LYS A 24 21.654 -5.318 -20.680 1.00 0.00 N ATOM 0 H LYS A 24 20.097 -3.505 -15.541 1.00 0.00 H new ATOM 0 HA LYS A 24 20.499 -6.080 -14.473 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.864 -4.390 -16.578 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.503 -5.961 -16.139 1.00 0.00 H new ATOM 0 HG2 LYS A 24 20.231 -6.975 -16.580 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.652 -5.402 -17.091 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.927 -6.926 -18.436 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.267 -6.917 -18.998 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.410 -4.399 -19.239 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.102 -4.484 -18.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.831 -4.422 -21.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.512 -5.906 -20.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.872 -5.823 -21.144 1.00 0.00 H new ATOM 421 N LYS A 25 22.851 -3.880 -13.671 1.00 0.00 N ATOM 422 CA LYS A 25 23.916 -3.608 -12.710 1.00 0.00 C ATOM 423 C LYS A 25 23.401 -3.794 -11.287 1.00 0.00 C ATOM 424 O LYS A 25 24.049 -4.476 -10.500 1.00 0.00 O ATOM 425 CB LYS A 25 24.483 -2.199 -12.972 1.00 0.00 C ATOM 426 CG LYS A 25 25.695 -1.811 -12.105 1.00 0.00 C ATOM 427 CD LYS A 25 25.325 -1.153 -10.763 1.00 0.00 C ATOM 428 CE LYS A 25 26.600 -0.687 -10.045 1.00 0.00 C ATOM 429 NZ LYS A 25 26.308 0.015 -8.770 1.00 0.00 N ATOM 0 H LYS A 25 22.671 -3.110 -14.315 1.00 0.00 H new ATOM 0 HA LYS A 25 24.735 -4.317 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.769 -2.129 -14.021 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.690 -1.469 -12.808 1.00 0.00 H new ATOM 0 HG2 LYS A 25 26.288 -2.704 -11.908 1.00 0.00 H new ATOM 0 HG3 LYS A 25 26.328 -1.127 -12.670 1.00 0.00 H new ATOM 0 HD2 LYS A 25 24.662 -0.305 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 25 24.782 -1.861 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 25 27.236 -1.549 -9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 25 27.161 -0.023 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 27.200 0.310 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 25.723 0.853 -8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.796 -0.626 -8.130 1.00 0.00 H new ATOM 443 N SER A 26 22.249 -3.218 -10.952 1.00 0.00 N ATOM 444 CA SER A 26 21.709 -3.233 -9.598 1.00 0.00 C ATOM 445 C SER A 26 21.357 -4.656 -9.162 1.00 0.00 C ATOM 446 O SER A 26 21.699 -5.083 -8.057 1.00 0.00 O ATOM 447 CB SER A 26 20.498 -2.298 -9.520 1.00 0.00 C ATOM 448 OG SER A 26 20.845 -0.998 -9.961 1.00 0.00 O ATOM 0 H SER A 26 21.659 -2.723 -11.621 1.00 0.00 H new ATOM 0 HA SER A 26 22.469 -2.871 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 26 19.687 -2.692 -10.133 1.00 0.00 H new ATOM 0 HB3 SER A 26 20.130 -2.254 -8.495 1.00 0.00 H new ATOM 0 HG SER A 26 20.704 -0.932 -10.929 1.00 0.00 H new ATOM 454 N LEU A 27 20.723 -5.422 -10.048 1.00 0.00 N ATOM 455 CA LEU A 27 20.376 -6.812 -9.790 1.00 0.00 C ATOM 456 C LEU A 27 21.640 -7.626 -9.511 1.00 0.00 C ATOM 457 O LEU A 27 21.717 -8.282 -8.470 1.00 0.00 O ATOM 458 CB LEU A 27 19.592 -7.384 -10.981 1.00 0.00 C ATOM 459 CG LEU A 27 18.089 -7.053 -11.008 1.00 0.00 C ATOM 460 CD1 LEU A 27 17.455 -7.671 -12.252 1.00 0.00 C ATOM 461 CD2 LEU A 27 17.328 -7.596 -9.802 1.00 0.00 C ATOM 0 H LEU A 27 20.436 -5.091 -10.969 1.00 0.00 H new ATOM 0 HA LEU A 27 19.740 -6.870 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.044 -7.015 -11.902 1.00 0.00 H new ATOM 0 HB3 LEU A 27 19.707 -8.468 -10.982 1.00 0.00 H new ATOM 0 HG LEU A 27 18.019 -5.965 -11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.391 -7.437 -12.272 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.933 -7.265 -13.144 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.589 -8.753 -12.229 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.275 -7.327 -9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.424 -8.681 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.741 -7.168 -8.888 1.00 0.00 H new ATOM 473 N TYR A 28 22.655 -7.546 -10.377 1.00 0.00 N ATOM 474 CA TYR A 28 23.913 -8.248 -10.139 1.00 0.00 C ATOM 475 C TYR A 28 24.615 -7.742 -8.870 1.00 0.00 C ATOM 476 O TYR A 28 25.290 -8.524 -8.199 1.00 0.00 O ATOM 477 CB TYR A 28 24.850 -8.122 -11.352 1.00 0.00 C ATOM 478 CG TYR A 28 24.430 -8.882 -12.602 1.00 0.00 C ATOM 479 CD1 TYR A 28 24.204 -10.273 -12.549 1.00 0.00 C ATOM 480 CD2 TYR A 28 24.333 -8.213 -13.839 1.00 0.00 C ATOM 481 CE1 TYR A 28 23.870 -10.988 -13.713 1.00 0.00 C ATOM 482 CE2 TYR A 28 23.994 -8.918 -15.007 1.00 0.00 C ATOM 483 CZ TYR A 28 23.758 -10.311 -14.950 1.00 0.00 C ATOM 484 OH TYR A 28 23.434 -10.985 -16.090 1.00 0.00 O ATOM 0 H TYR A 28 22.628 -7.006 -11.242 1.00 0.00 H new ATOM 0 HA TYR A 28 23.671 -9.301 -9.991 1.00 0.00 H new ATOM 0 HB2 TYR A 28 24.942 -7.066 -11.607 1.00 0.00 H new ATOM 0 HB3 TYR A 28 25.841 -8.466 -11.057 1.00 0.00 H new ATOM 0 HD1 TYR A 28 24.288 -10.794 -11.606 1.00 0.00 H new ATOM 0 HD2 TYR A 28 24.521 -7.151 -13.890 1.00 0.00 H new ATOM 0 HE1 TYR A 28 23.699 -12.053 -13.663 1.00 0.00 H new ATOM 0 HE2 TYR A 28 23.914 -8.395 -15.949 1.00 0.00 H new ATOM 0 HH TYR A 28 23.401 -10.358 -16.843 1.00 0.00 H new ATOM 494 N ALA A 29 24.472 -6.457 -8.528 1.00 0.00 N ATOM 495 CA ALA A 29 25.127 -5.866 -7.370 1.00 0.00 C ATOM 496 C ALA A 29 24.552 -6.396 -6.056 1.00 0.00 C ATOM 497 O ALA A 29 25.335 -6.640 -5.136 1.00 0.00 O ATOM 498 CB ALA A 29 25.029 -4.336 -7.412 1.00 0.00 C ATOM 0 H ALA A 29 23.895 -5.800 -9.053 1.00 0.00 H new ATOM 0 HA ALA A 29 26.177 -6.155 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.525 -3.915 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.512 -3.965 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 29 23.980 -4.038 -7.413 1.00 0.00 H new ATOM 504 N ILE A 30 23.227 -6.577 -5.942 1.00 0.00 N ATOM 505 CA ILE A 30 22.604 -6.897 -4.649 1.00 0.00 C ATOM 506 C ILE A 30 21.675 -8.110 -4.669 1.00 0.00 C ATOM 507 O ILE A 30 21.779 -8.921 -3.752 1.00 0.00 O ATOM 508 CB ILE A 30 21.927 -5.662 -4.004 1.00 0.00 C ATOM 509 CG1 ILE A 30 21.154 -4.766 -4.995 1.00 0.00 C ATOM 510 CG2 ILE A 30 22.989 -4.845 -3.240 1.00 0.00 C ATOM 511 CD1 ILE A 30 20.306 -3.676 -4.328 1.00 0.00 C ATOM 0 H ILE A 30 22.572 -6.508 -6.721 1.00 0.00 H new ATOM 0 HA ILE A 30 23.437 -7.193 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 30 21.168 -6.042 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 30 21.866 -4.293 -5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.504 -5.394 -5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 30 22.519 -3.974 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 30 23.436 -5.465 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 30 23.764 -4.518 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.796 -3.092 -5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 30 19.568 -4.139 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.951 -3.021 -3.742 1.00 0.00 H new ATOM 523 N PHE A 31 20.827 -8.315 -5.679 1.00 0.00 N ATOM 524 CA PHE A 31 19.981 -9.517 -5.717 1.00 0.00 C ATOM 525 C PHE A 31 20.833 -10.791 -5.755 1.00 0.00 C ATOM 526 O PHE A 31 20.501 -11.763 -5.074 1.00 0.00 O ATOM 527 CB PHE A 31 18.986 -9.493 -6.884 1.00 0.00 C ATOM 528 CG PHE A 31 17.645 -8.864 -6.566 1.00 0.00 C ATOM 529 CD1 PHE A 31 17.537 -7.475 -6.378 1.00 0.00 C ATOM 530 CD2 PHE A 31 16.490 -9.667 -6.493 1.00 0.00 C ATOM 531 CE1 PHE A 31 16.277 -6.890 -6.165 1.00 0.00 C ATOM 532 CE2 PHE A 31 15.232 -9.082 -6.277 1.00 0.00 C ATOM 533 CZ PHE A 31 15.124 -7.691 -6.123 1.00 0.00 C ATOM 0 H PHE A 31 20.706 -7.680 -6.468 1.00 0.00 H new ATOM 0 HA PHE A 31 19.397 -9.520 -4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 31 19.437 -8.952 -7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 31 18.820 -10.516 -7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 31 18.423 -6.857 -6.397 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.573 -10.738 -6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.195 -5.821 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.349 -9.701 -6.229 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.156 -7.237 -5.972 1.00 0.00 H new ATOM 543 N SER A 32 21.960 -10.789 -6.478 1.00 0.00 N ATOM 544 CA SER A 32 22.871 -11.929 -6.474 1.00 0.00 C ATOM 545 C SER A 32 23.416 -12.262 -5.082 1.00 0.00 C ATOM 546 O SER A 32 23.662 -13.439 -4.820 1.00 0.00 O ATOM 547 CB SER A 32 24.022 -11.702 -7.450 1.00 0.00 C ATOM 548 OG SER A 32 23.529 -11.793 -8.773 1.00 0.00 O ATOM 0 H SER A 32 22.257 -10.013 -7.069 1.00 0.00 H new ATOM 0 HA SER A 32 22.284 -12.789 -6.796 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.471 -10.723 -7.282 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.805 -12.443 -7.288 1.00 0.00 H new ATOM 0 HG SER A 32 24.263 -11.647 -9.406 1.00 0.00 H new ATOM 554 N GLN A 33 23.540 -11.298 -4.159 1.00 0.00 N ATOM 555 CA GLN A 33 24.023 -11.576 -2.804 1.00 0.00 C ATOM 556 C GLN A 33 23.056 -12.477 -2.016 1.00 0.00 C ATOM 557 O GLN A 33 23.430 -12.985 -0.957 1.00 0.00 O ATOM 558 CB GLN A 33 24.297 -10.276 -2.025 1.00 0.00 C ATOM 559 CG GLN A 33 25.361 -9.383 -2.687 1.00 0.00 C ATOM 560 CD GLN A 33 25.755 -8.188 -1.810 1.00 0.00 C ATOM 561 OE1 GLN A 33 25.930 -8.300 -0.599 1.00 0.00 O ATOM 562 NE2 GLN A 33 25.920 -7.012 -2.393 1.00 0.00 N ATOM 0 H GLN A 33 23.312 -10.319 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 33 24.963 -12.116 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 33 23.368 -9.714 -1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 33 24.621 -10.527 -1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 33 26.248 -9.979 -2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 33 24.982 -9.019 -3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 33 25.775 -6.916 -3.398 1.00 0.00 H new ATOM 0 HE22 GLN A 33 26.192 -6.201 -1.837 1.00 0.00 H new ATOM 571 N PHE A 34 21.840 -12.708 -2.527 1.00 0.00 N ATOM 572 CA PHE A 34 20.790 -13.464 -1.858 1.00 0.00 C ATOM 573 C PHE A 34 20.331 -14.662 -2.700 1.00 0.00 C ATOM 574 O PHE A 34 19.302 -15.255 -2.375 1.00 0.00 O ATOM 575 CB PHE A 34 19.642 -12.504 -1.502 1.00 0.00 C ATOM 576 CG PHE A 34 20.082 -11.296 -0.692 1.00 0.00 C ATOM 577 CD1 PHE A 34 20.591 -11.465 0.611 1.00 0.00 C ATOM 578 CD2 PHE A 34 20.030 -10.006 -1.255 1.00 0.00 C ATOM 579 CE1 PHE A 34 21.043 -10.352 1.344 1.00 0.00 C ATOM 580 CE2 PHE A 34 20.483 -8.895 -0.522 1.00 0.00 C ATOM 581 CZ PHE A 34 20.989 -9.066 0.778 1.00 0.00 C ATOM 0 H PHE A 34 21.558 -12.361 -3.444 1.00 0.00 H new ATOM 0 HA PHE A 34 21.176 -13.895 -0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 34 19.170 -12.160 -2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 34 18.885 -13.051 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 34 20.634 -12.452 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 34 19.641 -9.870 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 34 21.432 -10.486 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 34 20.442 -7.908 -0.959 1.00 0.00 H new ATOM 0 HZ PHE A 34 21.335 -8.212 1.341 1.00 0.00 H new ATOM 591 N GLY A 35 21.075 -15.055 -3.744 1.00 0.00 N ATOM 592 CA GLY A 35 20.752 -16.273 -4.492 1.00 0.00 C ATOM 593 C GLY A 35 21.573 -16.554 -5.754 1.00 0.00 C ATOM 594 O GLY A 35 21.376 -17.609 -6.350 1.00 0.00 O ATOM 0 H GLY A 35 21.895 -14.552 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.864 -17.123 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.701 -16.227 -4.775 1.00 0.00 H new ATOM 598 N GLN A 36 22.489 -15.660 -6.137 1.00 0.00 N ATOM 599 CA GLN A 36 23.233 -15.614 -7.397 1.00 0.00 C ATOM 600 C GLN A 36 22.330 -15.741 -8.632 1.00 0.00 C ATOM 601 O GLN A 36 21.768 -16.789 -8.954 1.00 0.00 O ATOM 602 CB GLN A 36 24.430 -16.578 -7.393 1.00 0.00 C ATOM 603 CG GLN A 36 25.283 -16.500 -8.674 1.00 0.00 C ATOM 604 CD GLN A 36 25.805 -15.087 -8.966 1.00 0.00 C ATOM 605 OE1 GLN A 36 26.607 -14.539 -8.216 1.00 0.00 O ATOM 606 NE2 GLN A 36 25.344 -14.454 -10.036 1.00 0.00 N ATOM 0 H GLN A 36 22.750 -14.888 -5.524 1.00 0.00 H new ATOM 0 HA GLN A 36 23.661 -14.615 -7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 36 25.061 -16.359 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 36 24.065 -17.598 -7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 36 26.129 -17.181 -8.582 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.688 -16.843 -9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 36 24.678 -14.916 -10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 36 25.656 -13.505 -10.241 1.00 0.00 H new ATOM 615 N ILE A 37 22.213 -14.631 -9.353 1.00 0.00 N ATOM 616 CA ILE A 37 21.488 -14.570 -10.609 1.00 0.00 C ATOM 617 C ILE A 37 22.142 -15.510 -11.625 1.00 0.00 C ATOM 618 O ILE A 37 23.364 -15.678 -11.659 1.00 0.00 O ATOM 619 CB ILE A 37 21.442 -13.100 -11.066 1.00 0.00 C ATOM 620 CG1 ILE A 37 20.529 -12.342 -10.079 1.00 0.00 C ATOM 621 CG2 ILE A 37 20.951 -12.936 -12.512 1.00 0.00 C ATOM 622 CD1 ILE A 37 20.502 -10.839 -10.305 1.00 0.00 C ATOM 0 H ILE A 37 22.625 -13.740 -9.075 1.00 0.00 H new ATOM 0 HA ILE A 37 20.459 -14.912 -10.500 1.00 0.00 H new ATOM 0 HB ILE A 37 22.452 -12.691 -11.060 1.00 0.00 H new ATOM 0 HG12 ILE A 37 19.515 -12.732 -10.163 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.864 -12.542 -9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.941 -11.878 -12.775 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.620 -13.471 -13.186 1.00 0.00 H new ATOM 0 HG23 ILE A 37 19.944 -13.342 -12.602 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.840 -10.373 -9.575 1.00 0.00 H new ATOM 0 HD12 ILE A 37 21.508 -10.436 -10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 37 20.138 -10.629 -11.311 1.00 0.00 H new ATOM 634 N LEU A 38 21.295 -16.068 -12.482 1.00 0.00 N ATOM 635 CA LEU A 38 21.616 -16.866 -13.649 1.00 0.00 C ATOM 636 C LEU A 38 21.275 -16.025 -14.884 1.00 0.00 C ATOM 637 O LEU A 38 22.118 -15.913 -15.774 1.00 0.00 O ATOM 638 CB LEU A 38 20.811 -18.177 -13.561 1.00 0.00 C ATOM 639 CG LEU A 38 21.273 -19.320 -14.488 1.00 0.00 C ATOM 640 CD1 LEU A 38 20.498 -20.590 -14.118 1.00 0.00 C ATOM 641 CD2 LEU A 38 21.059 -19.042 -15.979 1.00 0.00 C ATOM 0 H LEU A 38 20.287 -15.963 -12.365 1.00 0.00 H new ATOM 0 HA LEU A 38 22.670 -17.137 -13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 38 20.848 -18.534 -12.532 1.00 0.00 H new ATOM 0 HB3 LEU A 38 19.768 -17.955 -13.784 1.00 0.00 H new ATOM 0 HG LEU A 38 22.347 -19.427 -14.339 1.00 0.00 H new ATOM 0 HD11 LEU A 38 20.812 -21.409 -14.764 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.700 -20.850 -13.079 1.00 0.00 H new ATOM 0 HD13 LEU A 38 19.430 -20.415 -14.247 1.00 0.00 H new ATOM 0 HD21 LEU A 38 21.410 -19.894 -16.562 1.00 0.00 H new ATOM 0 HD22 LEU A 38 19.998 -18.883 -16.171 1.00 0.00 H new ATOM 0 HD23 LEU A 38 21.617 -18.151 -16.267 1.00 0.00 H new ATOM 653 N ASP A 39 20.103 -15.367 -14.929 1.00 0.00 N ATOM 654 CA ASP A 39 19.710 -14.541 -16.084 1.00 0.00 C ATOM 655 C ASP A 39 18.723 -13.438 -15.678 1.00 0.00 C ATOM 656 O ASP A 39 18.116 -13.533 -14.616 1.00 0.00 O ATOM 657 CB ASP A 39 19.121 -15.438 -17.190 1.00 0.00 C ATOM 658 CG ASP A 39 18.807 -14.668 -18.483 1.00 0.00 C ATOM 659 OD1 ASP A 39 19.579 -13.754 -18.851 1.00 0.00 O ATOM 660 OD2 ASP A 39 17.804 -14.999 -19.152 1.00 0.00 O ATOM 0 H ASP A 39 19.412 -15.391 -14.179 1.00 0.00 H new ATOM 0 HA ASP A 39 20.599 -14.044 -16.472 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.825 -16.240 -17.413 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.209 -15.907 -16.822 1.00 0.00 H new ATOM 665 N ILE A 40 18.549 -12.396 -16.497 1.00 0.00 N ATOM 666 CA ILE A 40 17.750 -11.199 -16.218 1.00 0.00 C ATOM 667 C ILE A 40 16.971 -10.865 -17.497 1.00 0.00 C ATOM 668 O ILE A 40 17.521 -10.975 -18.597 1.00 0.00 O ATOM 669 CB ILE A 40 18.669 -10.013 -15.806 1.00 0.00 C ATOM 670 CG1 ILE A 40 19.545 -10.360 -14.579 1.00 0.00 C ATOM 671 CG2 ILE A 40 17.831 -8.747 -15.537 1.00 0.00 C ATOM 672 CD1 ILE A 40 20.525 -9.270 -14.122 1.00 0.00 C ATOM 0 H ILE A 40 18.984 -12.363 -17.419 1.00 0.00 H new ATOM 0 HA ILE A 40 17.065 -11.377 -15.389 1.00 0.00 H new ATOM 0 HB ILE A 40 19.343 -9.817 -16.640 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.887 -10.602 -13.744 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.115 -11.261 -14.807 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.491 -7.928 -15.250 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.285 -8.474 -16.440 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.124 -8.943 -14.731 1.00 0.00 H new ATOM 0 HD11 ILE A 40 21.085 -9.624 -13.256 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.217 -9.040 -14.932 1.00 0.00 H new ATOM 0 HD13 ILE A 40 19.970 -8.371 -13.853 1.00 0.00 H new ATOM 684 N VAL A 41 15.718 -10.416 -17.360 1.00 0.00 N ATOM 685 CA VAL A 41 14.856 -10.031 -18.472 1.00 0.00 C ATOM 686 C VAL A 41 14.077 -8.767 -18.077 1.00 0.00 C ATOM 687 O VAL A 41 13.095 -8.830 -17.335 1.00 0.00 O ATOM 688 CB VAL A 41 13.919 -11.199 -18.874 1.00 0.00 C ATOM 689 CG1 VAL A 41 13.103 -10.847 -20.129 1.00 0.00 C ATOM 690 CG2 VAL A 41 14.664 -12.516 -19.154 1.00 0.00 C ATOM 0 H VAL A 41 15.270 -10.310 -16.450 1.00 0.00 H new ATOM 0 HA VAL A 41 15.458 -9.806 -19.352 1.00 0.00 H new ATOM 0 HB VAL A 41 13.268 -11.346 -18.012 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.455 -11.684 -20.388 1.00 0.00 H new ATOM 0 HG12 VAL A 41 12.495 -9.964 -19.932 1.00 0.00 H new ATOM 0 HG13 VAL A 41 13.781 -10.643 -20.958 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.946 -13.289 -19.429 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.370 -12.368 -19.972 1.00 0.00 H new ATOM 0 HG23 VAL A 41 15.205 -12.825 -18.260 1.00 0.00 H new ATOM 700 N ALA A 42 14.530 -7.609 -18.563 1.00 0.00 N ATOM 701 CA ALA A 42 13.834 -6.333 -18.511 1.00 0.00 C ATOM 702 C ALA A 42 14.163 -5.639 -19.838 1.00 0.00 C ATOM 703 O ALA A 42 15.305 -5.728 -20.296 1.00 0.00 O ATOM 704 CB ALA A 42 14.325 -5.520 -17.309 1.00 0.00 C ATOM 0 H ALA A 42 15.437 -7.538 -19.025 1.00 0.00 H new ATOM 0 HA ALA A 42 12.757 -6.446 -18.387 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.800 -4.566 -17.276 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.129 -6.074 -16.391 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.396 -5.341 -17.404 1.00 0.00 H new ATOM 710 N LEU A 43 13.189 -4.974 -20.467 1.00 0.00 N ATOM 711 CA LEU A 43 13.316 -4.396 -21.811 1.00 0.00 C ATOM 712 C LEU A 43 12.805 -2.955 -21.795 1.00 0.00 C ATOM 713 O LEU A 43 12.059 -2.563 -20.897 1.00 0.00 O ATOM 714 CB LEU A 43 12.517 -5.212 -22.857 1.00 0.00 C ATOM 715 CG LEU A 43 13.062 -6.574 -23.337 1.00 0.00 C ATOM 716 CD1 LEU A 43 14.515 -6.485 -23.818 1.00 0.00 C ATOM 717 CD2 LEU A 43 12.918 -7.704 -22.311 1.00 0.00 C ATOM 0 H LEU A 43 12.272 -4.819 -20.049 1.00 0.00 H new ATOM 0 HA LEU A 43 14.369 -4.421 -22.092 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.522 -5.385 -22.446 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.393 -4.581 -23.737 1.00 0.00 H new ATOM 0 HG LEU A 43 12.426 -6.832 -24.184 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.851 -7.469 -24.145 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.580 -5.784 -24.650 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.148 -6.138 -23.001 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.325 -8.626 -22.726 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.463 -7.443 -21.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.864 -7.847 -22.073 1.00 0.00 H new ATOM 847 N GLY A 50 8.197 -0.882 -16.148 1.00 0.00 N ATOM 848 CA GLY A 50 8.309 -0.764 -14.695 1.00 0.00 C ATOM 849 C GLY A 50 8.167 -2.123 -14.008 1.00 0.00 C ATOM 850 O GLY A 50 7.692 -2.203 -12.874 1.00 0.00 O ATOM 0 HA2 GLY A 50 9.273 -0.325 -14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.541 -0.086 -14.324 1.00 0.00 H new ATOM 854 N GLN A 51 8.557 -3.198 -14.696 1.00 0.00 N ATOM 855 CA GLN A 51 8.549 -4.564 -14.191 1.00 0.00 C ATOM 856 C GLN A 51 9.671 -5.342 -14.885 1.00 0.00 C ATOM 857 O GLN A 51 10.165 -4.909 -15.929 1.00 0.00 O ATOM 858 CB GLN A 51 7.167 -5.228 -14.386 1.00 0.00 C ATOM 859 CG GLN A 51 6.565 -5.181 -15.802 1.00 0.00 C ATOM 860 CD GLN A 51 5.904 -3.843 -16.133 1.00 0.00 C ATOM 861 OE1 GLN A 51 6.427 -3.055 -16.913 1.00 0.00 O ATOM 862 NE2 GLN A 51 4.760 -3.543 -15.539 1.00 0.00 N ATOM 0 H GLN A 51 8.899 -3.134 -15.655 1.00 0.00 H new ATOM 0 HA GLN A 51 8.730 -4.564 -13.116 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.247 -6.273 -14.086 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.463 -4.753 -13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.351 -5.380 -16.530 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.828 -5.978 -15.903 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.333 -4.205 -14.892 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.306 -2.650 -15.729 1.00 0.00 H new ATOM 871 N ALA A 52 10.075 -6.478 -14.314 1.00 0.00 N ATOM 872 CA ALA A 52 11.175 -7.304 -14.803 1.00 0.00 C ATOM 873 C ALA A 52 11.003 -8.743 -14.314 1.00 0.00 C ATOM 874 O ALA A 52 10.243 -8.996 -13.377 1.00 0.00 O ATOM 875 CB ALA A 52 12.502 -6.746 -14.266 1.00 0.00 C ATOM 0 H ALA A 52 9.633 -6.857 -13.477 1.00 0.00 H new ATOM 0 HA ALA A 52 11.177 -7.291 -15.893 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.327 -7.359 -14.628 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.632 -5.721 -14.612 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.489 -6.762 -13.176 1.00 0.00 H new ATOM 881 N PHE A 53 11.773 -9.662 -14.894 1.00 0.00 N ATOM 882 CA PHE A 53 11.921 -11.036 -14.432 1.00 0.00 C ATOM 883 C PHE A 53 13.415 -11.294 -14.241 1.00 0.00 C ATOM 884 O PHE A 53 14.249 -10.680 -14.914 1.00 0.00 O ATOM 885 CB PHE A 53 11.346 -12.039 -15.444 1.00 0.00 C ATOM 886 CG PHE A 53 9.853 -11.963 -15.705 1.00 0.00 C ATOM 887 CD1 PHE A 53 9.355 -11.144 -16.736 1.00 0.00 C ATOM 888 CD2 PHE A 53 8.966 -12.769 -14.965 1.00 0.00 C ATOM 889 CE1 PHE A 53 7.977 -11.125 -17.021 1.00 0.00 C ATOM 890 CE2 PHE A 53 7.590 -12.762 -15.261 1.00 0.00 C ATOM 891 CZ PHE A 53 7.095 -11.937 -16.286 1.00 0.00 C ATOM 0 H PHE A 53 12.328 -9.461 -15.726 1.00 0.00 H new ATOM 0 HA PHE A 53 11.371 -11.169 -13.500 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.865 -11.901 -16.393 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.580 -13.045 -15.096 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.032 -10.529 -17.310 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.343 -13.394 -14.169 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.597 -10.486 -17.805 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.914 -13.391 -14.700 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.038 -11.927 -16.509 1.00 0.00 H new ATOM 901 N VAL A 54 13.767 -12.219 -13.352 1.00 0.00 N ATOM 902 CA VAL A 54 15.152 -12.607 -13.108 1.00 0.00 C ATOM 903 C VAL A 54 15.150 -14.059 -12.616 1.00 0.00 C ATOM 904 O VAL A 54 14.223 -14.491 -11.922 1.00 0.00 O ATOM 905 CB VAL A 54 15.863 -11.550 -12.219 1.00 0.00 C ATOM 906 CG1 VAL A 54 15.050 -11.031 -11.021 1.00 0.00 C ATOM 907 CG2 VAL A 54 17.231 -12.000 -11.701 1.00 0.00 C ATOM 0 H VAL A 54 13.093 -12.724 -12.776 1.00 0.00 H new ATOM 0 HA VAL A 54 15.764 -12.606 -14.010 1.00 0.00 H new ATOM 0 HB VAL A 54 15.982 -10.727 -12.923 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.641 -10.299 -10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.133 -10.562 -11.379 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.799 -11.863 -10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.666 -11.210 -11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.114 -12.902 -11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.889 -12.209 -12.545 1.00 0.00 H new ATOM 917 N ILE A 55 16.160 -14.812 -13.052 1.00 0.00 N ATOM 918 CA ILE A 55 16.320 -16.254 -12.933 1.00 0.00 C ATOM 919 C ILE A 55 17.587 -16.455 -12.096 1.00 0.00 C ATOM 920 O ILE A 55 18.571 -15.747 -12.329 1.00 0.00 O ATOM 921 CB ILE A 55 16.491 -16.901 -14.340 1.00 0.00 C ATOM 922 CG1 ILE A 55 15.412 -16.616 -15.420 1.00 0.00 C ATOM 923 CG2 ILE A 55 16.563 -18.436 -14.198 1.00 0.00 C ATOM 924 CD1 ILE A 55 15.274 -15.186 -15.961 1.00 0.00 C ATOM 0 H ILE A 55 16.951 -14.389 -13.538 1.00 0.00 H new ATOM 0 HA ILE A 55 15.450 -16.721 -12.472 1.00 0.00 H new ATOM 0 HB ILE A 55 17.403 -16.425 -14.700 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.610 -17.273 -16.267 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.446 -16.909 -15.008 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.683 -18.887 -15.183 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.413 -18.704 -13.570 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.644 -18.803 -13.740 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.479 -15.154 -16.706 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.032 -14.509 -15.142 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.214 -14.878 -16.420 1.00 0.00 H new ATOM 936 N PHE A 56 17.593 -17.430 -11.181 1.00 0.00 N ATOM 937 CA PHE A 56 18.660 -17.677 -10.201 1.00 0.00 C ATOM 938 C PHE A 56 19.154 -19.126 -10.291 1.00 0.00 C ATOM 939 O PHE A 56 18.644 -19.910 -11.095 1.00 0.00 O ATOM 940 CB PHE A 56 18.155 -17.353 -8.783 1.00 0.00 C ATOM 941 CG PHE A 56 17.746 -15.908 -8.580 1.00 0.00 C ATOM 942 CD1 PHE A 56 16.475 -15.473 -9.000 1.00 0.00 C ATOM 943 CD2 PHE A 56 18.641 -14.988 -7.998 1.00 0.00 C ATOM 944 CE1 PHE A 56 16.120 -14.123 -8.873 1.00 0.00 C ATOM 945 CE2 PHE A 56 18.268 -13.642 -7.840 1.00 0.00 C ATOM 946 CZ PHE A 56 17.013 -13.207 -8.296 1.00 0.00 C ATOM 0 H PHE A 56 16.825 -18.096 -11.098 1.00 0.00 H new ATOM 0 HA PHE A 56 19.503 -17.024 -10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.303 -17.994 -8.559 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.938 -17.601 -8.066 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.774 -16.179 -9.420 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.616 -15.318 -7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.155 -13.786 -9.221 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.945 -12.944 -7.369 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.735 -12.168 -8.203 1.00 0.00 H new ATOM 956 N LYS A 57 20.159 -19.491 -9.482 1.00 0.00 N ATOM 957 CA LYS A 57 20.744 -20.837 -9.481 1.00 0.00 C ATOM 958 C LYS A 57 19.702 -21.942 -9.306 1.00 0.00 C ATOM 959 O LYS A 57 19.773 -22.952 -10.005 1.00 0.00 O ATOM 960 CB LYS A 57 21.770 -20.987 -8.346 1.00 0.00 C ATOM 961 CG LYS A 57 23.044 -20.157 -8.542 1.00 0.00 C ATOM 962 CD LYS A 57 24.104 -20.465 -7.470 1.00 0.00 C ATOM 963 CE LYS A 57 23.604 -20.171 -6.045 1.00 0.00 C ATOM 964 NZ LYS A 57 24.653 -20.411 -5.021 1.00 0.00 N ATOM 0 H LYS A 57 20.590 -18.858 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 57 21.217 -20.948 -10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 57 21.301 -20.697 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 57 22.044 -22.038 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 57 23.459 -20.357 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 57 22.794 -19.097 -8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 57 24.394 -21.513 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 57 24.998 -19.873 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 57 23.271 -19.135 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 57 22.738 -20.797 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 24.271 -20.200 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 24.954 -21.406 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 25.470 -19.795 -5.210 1.00 0.00 H new ATOM 978 N GLU A 58 18.770 -21.783 -8.364 1.00 0.00 N ATOM 979 CA GLU A 58 17.857 -22.840 -7.944 1.00 0.00 C ATOM 980 C GLU A 58 16.597 -22.197 -7.357 1.00 0.00 C ATOM 981 O GLU A 58 16.611 -21.021 -6.984 1.00 0.00 O ATOM 982 CB GLU A 58 18.592 -23.726 -6.914 1.00 0.00 C ATOM 983 CG GLU A 58 17.850 -25.018 -6.543 1.00 0.00 C ATOM 984 CD GLU A 58 18.731 -25.948 -5.690 1.00 0.00 C ATOM 985 OE1 GLU A 58 18.730 -25.823 -4.444 1.00 0.00 O ATOM 986 OE2 GLU A 58 19.419 -26.830 -6.253 1.00 0.00 O ATOM 0 H GLU A 58 18.629 -20.904 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 58 17.550 -23.467 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.573 -23.986 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.760 -23.145 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.941 -24.772 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.544 -25.537 -7.451 1.00 0.00 H new ATOM 993 N ILE A 59 15.512 -22.970 -7.260 1.00 0.00 N ATOM 994 CA ILE A 59 14.215 -22.531 -6.742 1.00 0.00 C ATOM 995 C ILE A 59 14.322 -21.929 -5.327 1.00 0.00 C ATOM 996 O ILE A 59 13.675 -20.922 -5.029 1.00 0.00 O ATOM 997 CB ILE A 59 13.200 -23.703 -6.834 1.00 0.00 C ATOM 998 CG1 ILE A 59 13.494 -24.871 -5.858 1.00 0.00 C ATOM 999 CG2 ILE A 59 13.111 -24.236 -8.277 1.00 0.00 C ATOM 1000 CD1 ILE A 59 12.513 -26.048 -5.958 1.00 0.00 C ATOM 0 H ILE A 59 15.513 -23.948 -7.549 1.00 0.00 H new ATOM 0 HA ILE A 59 13.844 -21.715 -7.362 1.00 0.00 H new ATOM 0 HB ILE A 59 12.241 -23.282 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.503 -25.239 -6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.479 -24.488 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.394 -25.056 -8.318 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.785 -23.436 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 59 14.091 -24.594 -8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.795 -26.818 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.503 -25.700 -5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.544 -26.463 -6.966 1.00 0.00 H new ATOM 1012 N GLY A 60 15.168 -22.511 -4.468 1.00 0.00 N ATOM 1013 CA GLY A 60 15.355 -22.036 -3.104 1.00 0.00 C ATOM 1014 C GLY A 60 16.088 -20.702 -3.107 1.00 0.00 C ATOM 1015 O GLY A 60 15.663 -19.764 -2.435 1.00 0.00 O ATOM 0 H GLY A 60 15.738 -23.323 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.388 -21.926 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.922 -22.769 -2.530 1.00 0.00 H new ATOM 1019 N SER A 61 17.145 -20.586 -3.915 1.00 0.00 N ATOM 1020 CA SER A 61 17.908 -19.357 -4.080 1.00 0.00 C ATOM 1021 C SER A 61 17.005 -18.233 -4.599 1.00 0.00 C ATOM 1022 O SER A 61 17.061 -17.110 -4.098 1.00 0.00 O ATOM 1023 CB SER A 61 19.068 -19.620 -5.051 1.00 0.00 C ATOM 1024 OG SER A 61 19.659 -20.894 -4.839 1.00 0.00 O ATOM 0 H SER A 61 17.496 -21.359 -4.480 1.00 0.00 H new ATOM 0 HA SER A 61 18.310 -19.041 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.705 -19.555 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.825 -18.845 -4.931 1.00 0.00 H new ATOM 0 HG SER A 61 20.392 -21.025 -5.477 1.00 0.00 H new ATOM 1030 N ALA A 62 16.135 -18.549 -5.563 1.00 0.00 N ATOM 1031 CA ALA A 62 15.183 -17.611 -6.126 1.00 0.00 C ATOM 1032 C ALA A 62 14.227 -17.097 -5.049 1.00 0.00 C ATOM 1033 O ALA A 62 14.115 -15.882 -4.881 1.00 0.00 O ATOM 1034 CB ALA A 62 14.417 -18.301 -7.250 1.00 0.00 C ATOM 0 H ALA A 62 16.079 -19.481 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 62 15.715 -16.749 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.698 -17.605 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.116 -18.625 -8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.889 -19.168 -6.852 1.00 0.00 H new ATOM 1040 N SER A 63 13.569 -17.981 -4.288 1.00 0.00 N ATOM 1041 CA SER A 63 12.677 -17.518 -3.228 1.00 0.00 C ATOM 1042 C SER A 63 13.422 -16.800 -2.100 1.00 0.00 C ATOM 1043 O SER A 63 12.854 -15.901 -1.481 1.00 0.00 O ATOM 1044 CB SER A 63 11.823 -18.657 -2.677 1.00 0.00 C ATOM 1045 OG SER A 63 10.871 -19.030 -3.646 1.00 0.00 O ATOM 0 H SER A 63 13.636 -18.994 -4.385 1.00 0.00 H new ATOM 0 HA SER A 63 12.013 -16.785 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.453 -19.509 -2.421 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.323 -18.343 -1.760 1.00 0.00 H new ATOM 0 HG SER A 63 10.222 -19.646 -3.247 1.00 0.00 H new ATOM 1051 N ASN A 64 14.686 -17.140 -1.839 1.00 0.00 N ATOM 1052 CA ASN A 64 15.482 -16.445 -0.833 1.00 0.00 C ATOM 1053 C ASN A 64 15.738 -14.998 -1.256 1.00 0.00 C ATOM 1054 O ASN A 64 15.549 -14.086 -0.450 1.00 0.00 O ATOM 1055 CB ASN A 64 16.798 -17.183 -0.563 1.00 0.00 C ATOM 1056 CG ASN A 64 17.542 -16.527 0.593 1.00 0.00 C ATOM 1057 OD1 ASN A 64 17.209 -16.739 1.755 1.00 0.00 O ATOM 1058 ND2 ASN A 64 18.540 -15.712 0.312 1.00 0.00 N ATOM 0 H ASN A 64 15.179 -17.896 -2.314 1.00 0.00 H new ATOM 0 HA ASN A 64 14.916 -16.431 0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.596 -18.228 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.420 -17.172 -1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 64 19.047 -15.248 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 64 18.805 -15.546 -0.659 1.00 0.00 H new ATOM 1065 N ALA A 65 16.104 -14.779 -2.522 1.00 0.00 N ATOM 1066 CA ALA A 65 16.258 -13.456 -3.106 1.00 0.00 C ATOM 1067 C ALA A 65 14.934 -12.702 -3.032 1.00 0.00 C ATOM 1068 O ALA A 65 14.892 -11.594 -2.502 1.00 0.00 O ATOM 1069 CB ALA A 65 16.733 -13.578 -4.562 1.00 0.00 C ATOM 0 H ALA A 65 16.304 -15.535 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 65 17.008 -12.898 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.846 -12.583 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.691 -14.096 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.999 -14.141 -5.138 1.00 0.00 H new ATOM 1075 N LEU A 66 13.854 -13.328 -3.511 1.00 0.00 N ATOM 1076 CA LEU A 66 12.506 -12.771 -3.531 1.00 0.00 C ATOM 1077 C LEU A 66 12.147 -12.255 -2.143 1.00 0.00 C ATOM 1078 O LEU A 66 11.871 -11.070 -1.985 1.00 0.00 O ATOM 1079 CB LEU A 66 11.540 -13.871 -4.004 1.00 0.00 C ATOM 1080 CG LEU A 66 10.104 -13.465 -4.381 1.00 0.00 C ATOM 1081 CD1 LEU A 66 9.389 -14.732 -4.867 1.00 0.00 C ATOM 1082 CD2 LEU A 66 9.294 -12.841 -3.241 1.00 0.00 C ATOM 0 H LEU A 66 13.900 -14.267 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 66 12.439 -11.927 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.987 -14.357 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.478 -14.621 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 66 10.175 -12.690 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.364 -14.487 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.913 -15.136 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.381 -15.474 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.297 -12.587 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.214 -13.553 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.794 -11.938 -2.891 1.00 0.00 H new ATOM 1094 N ARG A 67 12.193 -13.121 -1.128 1.00 0.00 N ATOM 1095 CA ARG A 67 11.785 -12.770 0.224 1.00 0.00 C ATOM 1096 C ARG A 67 12.671 -11.659 0.778 1.00 0.00 C ATOM 1097 O ARG A 67 12.146 -10.688 1.316 1.00 0.00 O ATOM 1098 CB ARG A 67 11.858 -14.029 1.103 1.00 0.00 C ATOM 1099 CG ARG A 67 11.343 -13.797 2.539 1.00 0.00 C ATOM 1100 CD ARG A 67 12.019 -14.754 3.534 1.00 0.00 C ATOM 1101 NE ARG A 67 13.469 -14.477 3.626 1.00 0.00 N ATOM 1102 CZ ARG A 67 14.463 -15.353 3.424 1.00 0.00 C ATOM 1103 NH1 ARG A 67 14.247 -16.663 3.399 1.00 0.00 N ATOM 1104 NH2 ARG A 67 15.696 -14.912 3.219 1.00 0.00 N ATOM 0 H ARG A 67 12.515 -14.084 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 67 10.761 -12.396 0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.274 -14.823 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.891 -14.375 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.535 -12.766 2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.263 -13.941 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.561 -14.647 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.860 -15.785 3.219 1.00 0.00 H new ATOM 0 HE ARG A 67 13.740 -13.524 3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.304 -17.027 3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.024 -17.305 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.885 -13.910 3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.456 -15.575 3.065 1.00 0.00 H new ATOM 1118 N THR A 68 13.994 -11.781 0.661 1.00 0.00 N ATOM 1119 CA THR A 68 14.906 -10.814 1.270 1.00 0.00 C ATOM 1120 C THR A 68 14.734 -9.429 0.628 1.00 0.00 C ATOM 1121 O THR A 68 14.833 -8.414 1.319 1.00 0.00 O ATOM 1122 CB THR A 68 16.353 -11.329 1.186 1.00 0.00 C ATOM 1123 OG1 THR A 68 16.404 -12.664 1.651 1.00 0.00 O ATOM 1124 CG2 THR A 68 17.309 -10.515 2.060 1.00 0.00 C ATOM 0 H THR A 68 14.455 -12.536 0.153 1.00 0.00 H new ATOM 0 HA THR A 68 14.662 -10.702 2.326 1.00 0.00 H new ATOM 0 HB THR A 68 16.659 -11.245 0.143 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.306 -13.278 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 68 18.318 -10.917 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 68 17.301 -9.474 1.736 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.990 -10.573 3.101 1.00 0.00 H new ATOM 1132 N MET A 69 14.425 -9.378 -0.671 1.00 0.00 N ATOM 1133 CA MET A 69 14.274 -8.132 -1.410 1.00 0.00 C ATOM 1134 C MET A 69 12.824 -7.629 -1.411 1.00 0.00 C ATOM 1135 O MET A 69 12.573 -6.509 -1.854 1.00 0.00 O ATOM 1136 CB MET A 69 14.819 -8.320 -2.834 1.00 0.00 C ATOM 1137 CG MET A 69 16.314 -8.692 -2.851 1.00 0.00 C ATOM 1138 SD MET A 69 17.424 -7.541 -1.986 1.00 0.00 S ATOM 1139 CE MET A 69 17.258 -6.051 -3.008 1.00 0.00 C ATOM 0 H MET A 69 14.272 -10.211 -1.240 1.00 0.00 H new ATOM 0 HA MET A 69 14.854 -7.357 -0.909 1.00 0.00 H new ATOM 0 HB2 MET A 69 14.248 -9.100 -3.338 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.671 -7.401 -3.400 1.00 0.00 H new ATOM 0 HG2 MET A 69 16.428 -9.681 -2.407 1.00 0.00 H new ATOM 0 HG3 MET A 69 16.638 -8.769 -3.889 1.00 0.00 H new ATOM 0 HE1 MET A 69 17.783 -5.223 -2.532 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.688 -6.235 -3.992 1.00 0.00 H new ATOM 0 HE3 MET A 69 16.203 -5.799 -3.115 1.00 0.00 H new ATOM 1149 N GLN A 70 11.863 -8.409 -0.911 1.00 0.00 N ATOM 1150 CA GLN A 70 10.466 -8.012 -0.798 1.00 0.00 C ATOM 1151 C GLN A 70 10.375 -6.739 0.051 1.00 0.00 C ATOM 1152 O GLN A 70 10.870 -6.704 1.180 1.00 0.00 O ATOM 1153 CB GLN A 70 9.662 -9.177 -0.186 1.00 0.00 C ATOM 1154 CG GLN A 70 8.137 -9.008 -0.183 1.00 0.00 C ATOM 1155 CD GLN A 70 7.537 -9.081 -1.589 1.00 0.00 C ATOM 1156 OE1 GLN A 70 7.734 -8.193 -2.414 1.00 0.00 O ATOM 1157 NE2 GLN A 70 6.807 -10.136 -1.907 1.00 0.00 N ATOM 0 H GLN A 70 12.042 -9.353 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 70 10.042 -7.790 -1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.906 -10.088 -0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.994 -9.322 0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.690 -9.783 0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.882 -8.049 0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.646 -10.871 -1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.405 -10.215 -2.841 1.00 0.00 H new ATOM 1166 N GLY A 71 9.758 -5.687 -0.494 1.00 0.00 N ATOM 1167 CA GLY A 71 9.607 -4.398 0.172 1.00 0.00 C ATOM 1168 C GLY A 71 10.910 -3.599 0.292 1.00 0.00 C ATOM 1169 O GLY A 71 10.884 -2.509 0.866 1.00 0.00 O ATOM 0 H GLY A 71 9.344 -5.711 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.877 -3.802 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.201 -4.562 1.170 1.00 0.00 H new ATOM 1173 N PHE A 72 12.044 -4.099 -0.214 1.00 0.00 N ATOM 1174 CA PHE A 72 13.329 -3.418 -0.078 1.00 0.00 C ATOM 1175 C PHE A 72 13.328 -2.148 -0.942 1.00 0.00 C ATOM 1176 O PHE A 72 12.867 -2.214 -2.085 1.00 0.00 O ATOM 1177 CB PHE A 72 14.464 -4.364 -0.496 1.00 0.00 C ATOM 1178 CG PHE A 72 15.852 -3.791 -0.290 1.00 0.00 C ATOM 1179 CD1 PHE A 72 16.477 -3.884 0.969 1.00 0.00 C ATOM 1180 CD2 PHE A 72 16.514 -3.145 -1.351 1.00 0.00 C ATOM 1181 CE1 PHE A 72 17.755 -3.329 1.164 1.00 0.00 C ATOM 1182 CE2 PHE A 72 17.791 -2.590 -1.156 1.00 0.00 C ATOM 1183 CZ PHE A 72 18.412 -2.681 0.103 1.00 0.00 C ATOM 0 H PHE A 72 12.093 -4.981 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 72 13.487 -3.132 0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.377 -5.291 0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.340 -4.620 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.975 -4.382 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 72 16.039 -3.075 -2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 72 18.232 -3.401 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 72 18.295 -2.094 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 72 19.392 -2.254 0.254 1.00 0.00 H new ATOM 1193 N PRO A 73 13.845 -1.002 -0.465 1.00 0.00 N ATOM 1194 CA PRO A 73 13.998 0.208 -1.265 1.00 0.00 C ATOM 1195 C PRO A 73 15.189 0.062 -2.228 1.00 0.00 C ATOM 1196 O PRO A 73 16.280 0.588 -1.995 1.00 0.00 O ATOM 1197 CB PRO A 73 14.147 1.342 -0.249 1.00 0.00 C ATOM 1198 CG PRO A 73 14.850 0.665 0.928 1.00 0.00 C ATOM 1199 CD PRO A 73 14.280 -0.754 0.905 1.00 0.00 C ATOM 0 HA PRO A 73 13.148 0.411 -1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.736 2.167 -0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.180 1.752 0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.933 0.666 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.636 1.170 1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.033 -1.480 1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.446 -0.849 1.600 1.00 0.00 H new ATOM 1207 N PHE A 74 14.984 -0.703 -3.304 1.00 0.00 N ATOM 1208 CA PHE A 74 15.967 -0.928 -4.367 1.00 0.00 C ATOM 1209 C PHE A 74 16.376 0.412 -4.990 1.00 0.00 C ATOM 1210 O PHE A 74 17.557 0.648 -5.247 1.00 0.00 O ATOM 1211 CB PHE A 74 15.321 -1.880 -5.380 1.00 0.00 C ATOM 1212 CG PHE A 74 16.147 -2.349 -6.564 1.00 0.00 C ATOM 1213 CD1 PHE A 74 17.226 -3.229 -6.365 1.00 0.00 C ATOM 1214 CD2 PHE A 74 15.735 -2.042 -7.876 1.00 0.00 C ATOM 1215 CE1 PHE A 74 17.886 -3.803 -7.467 1.00 0.00 C ATOM 1216 CE2 PHE A 74 16.393 -2.616 -8.978 1.00 0.00 C ATOM 1217 CZ PHE A 74 17.458 -3.509 -8.774 1.00 0.00 C ATOM 0 H PHE A 74 14.106 -1.196 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 74 16.884 -1.379 -3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.988 -2.765 -4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.429 -1.391 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 74 17.549 -3.465 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.910 -1.363 -8.036 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.721 -4.469 -7.309 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.079 -2.370 -9.982 1.00 0.00 H new ATOM 0 HZ PHE A 74 17.947 -3.969 -9.620 1.00 0.00 H new ATOM 1227 N TYR A 75 15.390 1.298 -5.147 1.00 0.00 N ATOM 1228 CA TYR A 75 15.500 2.704 -5.507 1.00 0.00 C ATOM 1229 C TYR A 75 14.376 3.414 -4.741 1.00 0.00 C ATOM 1230 O TYR A 75 13.930 2.908 -3.708 1.00 0.00 O ATOM 1231 CB TYR A 75 15.464 2.869 -7.043 1.00 0.00 C ATOM 1232 CG TYR A 75 16.796 2.546 -7.697 1.00 0.00 C ATOM 1233 CD1 TYR A 75 17.855 3.472 -7.602 1.00 0.00 C ATOM 1234 CD2 TYR A 75 16.999 1.318 -8.356 1.00 0.00 C ATOM 1235 CE1 TYR A 75 19.116 3.164 -8.139 1.00 0.00 C ATOM 1236 CE2 TYR A 75 18.263 0.995 -8.882 1.00 0.00 C ATOM 1237 CZ TYR A 75 19.331 1.916 -8.766 1.00 0.00 C ATOM 1238 OH TYR A 75 20.573 1.613 -9.233 1.00 0.00 O ATOM 0 H TYR A 75 14.417 1.023 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 75 16.450 3.157 -5.224 1.00 0.00 H new ATOM 0 HB2 TYR A 75 14.693 2.218 -7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 75 15.182 3.893 -7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 75 17.696 4.422 -7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 75 16.180 0.621 -8.458 1.00 0.00 H new ATOM 0 HE1 TYR A 75 19.921 3.881 -8.073 1.00 0.00 H new ATOM 0 HE2 TYR A 75 18.418 0.046 -9.373 1.00 0.00 H new ATOM 0 HH TYR A 75 20.604 0.668 -9.491 1.00 0.00 H new ATOM 1248 N ASP A 76 13.901 4.568 -5.215 1.00 0.00 N ATOM 1249 CA ASP A 76 12.847 5.381 -4.591 1.00 0.00 C ATOM 1250 C ASP A 76 11.451 4.712 -4.605 1.00 0.00 C ATOM 1251 O ASP A 76 10.424 5.387 -4.520 1.00 0.00 O ATOM 1252 CB ASP A 76 12.833 6.767 -5.261 1.00 0.00 C ATOM 1253 CG ASP A 76 11.970 7.797 -4.507 1.00 0.00 C ATOM 1254 OD1 ASP A 76 12.133 7.952 -3.274 1.00 0.00 O ATOM 1255 OD2 ASP A 76 11.174 8.516 -5.153 1.00 0.00 O ATOM 0 H ASP A 76 14.252 4.981 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 76 13.083 5.484 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.855 7.140 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.460 6.667 -6.280 1.00 0.00 H new ATOM 1260 N LYS A 77 11.388 3.380 -4.723 1.00 0.00 N ATOM 1261 CA LYS A 77 10.182 2.571 -4.607 1.00 0.00 C ATOM 1262 C LYS A 77 10.540 1.309 -3.817 1.00 0.00 C ATOM 1263 O LYS A 77 11.569 0.697 -4.122 1.00 0.00 O ATOM 1264 CB LYS A 77 9.650 2.177 -5.999 1.00 0.00 C ATOM 1265 CG LYS A 77 8.601 3.162 -6.536 1.00 0.00 C ATOM 1266 CD LYS A 77 8.167 2.751 -7.950 1.00 0.00 C ATOM 1267 CE LYS A 77 6.950 3.526 -8.480 1.00 0.00 C ATOM 1268 NZ LYS A 77 5.682 3.126 -7.819 1.00 0.00 N ATOM 0 H LYS A 77 12.218 2.817 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 77 9.403 3.141 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.483 2.123 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.212 1.180 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.736 3.182 -5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.013 4.171 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.004 2.898 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.936 1.686 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.111 4.594 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.861 3.364 -9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.876 3.420 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.664 2.093 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.616 3.584 -6.888 1.00 0.00 H new ATOM 1282 N PRO A 78 9.723 0.897 -2.832 1.00 0.00 N ATOM 1283 CA PRO A 78 9.879 -0.399 -2.192 1.00 0.00 C ATOM 1284 C PRO A 78 9.481 -1.468 -3.212 1.00 0.00 C ATOM 1285 O PRO A 78 8.417 -1.377 -3.830 1.00 0.00 O ATOM 1286 CB PRO A 78 8.952 -0.372 -0.975 1.00 0.00 C ATOM 1287 CG PRO A 78 7.844 0.600 -1.381 1.00 0.00 C ATOM 1288 CD PRO A 78 8.552 1.589 -2.308 1.00 0.00 C ATOM 0 HA PRO A 78 10.896 -0.619 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.554 -1.362 -0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.475 -0.032 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 78 7.028 0.087 -1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.413 1.101 -0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.892 1.903 -3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.843 2.489 -1.766 1.00 0.00 H new ATOM 1296 N MET A 79 10.331 -2.472 -3.411 1.00 0.00 N ATOM 1297 CA MET A 79 10.080 -3.528 -4.384 1.00 0.00 C ATOM 1298 C MET A 79 8.819 -4.301 -4.007 1.00 0.00 C ATOM 1299 O MET A 79 8.498 -4.455 -2.827 1.00 0.00 O ATOM 1300 CB MET A 79 11.282 -4.477 -4.450 1.00 0.00 C ATOM 1301 CG MET A 79 12.521 -3.782 -5.010 1.00 0.00 C ATOM 1302 SD MET A 79 12.457 -3.430 -6.790 1.00 0.00 S ATOM 1303 CE MET A 79 13.631 -4.681 -7.369 1.00 0.00 C ATOM 0 H MET A 79 11.210 -2.575 -2.904 1.00 0.00 H new ATOM 0 HA MET A 79 9.933 -3.076 -5.365 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.499 -4.859 -3.453 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.034 -5.336 -5.073 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.668 -2.845 -4.474 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.392 -4.405 -4.808 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.956 -4.435 -8.380 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.496 -4.703 -6.706 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.149 -5.659 -7.371 1.00 0.00 H new ATOM 1313 N GLN A 80 8.135 -4.845 -5.009 1.00 0.00 N ATOM 1314 CA GLN A 80 7.037 -5.785 -4.851 1.00 0.00 C ATOM 1315 C GLN A 80 7.399 -6.915 -5.800 1.00 0.00 C ATOM 1316 O GLN A 80 7.712 -6.656 -6.967 1.00 0.00 O ATOM 1317 CB GLN A 80 5.692 -5.130 -5.205 1.00 0.00 C ATOM 1318 CG GLN A 80 5.280 -3.990 -4.256 1.00 0.00 C ATOM 1319 CD GLN A 80 4.872 -4.490 -2.867 1.00 0.00 C ATOM 1320 OE1 GLN A 80 3.701 -4.758 -2.608 1.00 0.00 O ATOM 1321 NE2 GLN A 80 5.809 -4.629 -1.944 1.00 0.00 N ATOM 0 H GLN A 80 8.339 -4.634 -5.986 1.00 0.00 H new ATOM 0 HA GLN A 80 6.911 -6.135 -3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.746 -4.741 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.915 -5.894 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.109 -3.290 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.449 -3.439 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.779 -4.405 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.561 -4.960 -1.012 1.00 0.00 H new ATOM 1330 N ILE A 81 7.425 -8.142 -5.288 1.00 0.00 N ATOM 1331 CA ILE A 81 7.968 -9.295 -5.989 1.00 0.00 C ATOM 1332 C ILE A 81 7.062 -10.502 -5.729 1.00 0.00 C ATOM 1333 O ILE A 81 6.428 -10.590 -4.674 1.00 0.00 O ATOM 1334 CB ILE A 81 9.428 -9.570 -5.519 1.00 0.00 C ATOM 1335 CG1 ILE A 81 10.238 -8.293 -5.168 1.00 0.00 C ATOM 1336 CG2 ILE A 81 10.168 -10.384 -6.594 1.00 0.00 C ATOM 1337 CD1 ILE A 81 11.697 -8.529 -4.767 1.00 0.00 C ATOM 0 H ILE A 81 7.063 -8.364 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 81 7.999 -9.102 -7.061 1.00 0.00 H new ATOM 0 HB ILE A 81 9.349 -10.134 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.219 -7.624 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.734 -7.777 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.189 -10.577 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 81 9.653 -11.332 -6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.187 -9.822 -7.527 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.172 -7.574 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.733 -9.168 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 81 12.226 -9.013 -5.588 1.00 0.00 H new ATOM 1349 N ALA A 82 7.029 -11.448 -6.668 1.00 0.00 N ATOM 1350 CA ALA A 82 6.402 -12.757 -6.528 1.00 0.00 C ATOM 1351 C ALA A 82 7.184 -13.766 -7.375 1.00 0.00 C ATOM 1352 O ALA A 82 8.056 -13.384 -8.158 1.00 0.00 O ATOM 1353 CB ALA A 82 4.942 -12.679 -6.997 1.00 0.00 C ATOM 0 H ALA A 82 7.457 -11.315 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 82 6.413 -13.074 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.473 -13.658 -6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.403 -11.952 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.912 -12.372 -8.042 1.00 0.00 H new ATOM 1359 N TYR A 83 6.885 -15.056 -7.217 1.00 0.00 N ATOM 1360 CA TYR A 83 7.386 -16.096 -8.110 1.00 0.00 C ATOM 1361 C TYR A 83 6.733 -15.845 -9.474 1.00 0.00 C ATOM 1362 O TYR A 83 5.563 -15.461 -9.536 1.00 0.00 O ATOM 1363 CB TYR A 83 7.096 -17.493 -7.531 1.00 0.00 C ATOM 1364 CG TYR A 83 5.691 -17.714 -6.990 1.00 0.00 C ATOM 1365 CD1 TYR A 83 5.350 -17.248 -5.704 1.00 0.00 C ATOM 1366 CD2 TYR A 83 4.727 -18.387 -7.763 1.00 0.00 C ATOM 1367 CE1 TYR A 83 4.043 -17.405 -5.210 1.00 0.00 C ATOM 1368 CE2 TYR A 83 3.420 -18.561 -7.272 1.00 0.00 C ATOM 1369 CZ TYR A 83 3.067 -18.059 -5.998 1.00 0.00 C ATOM 1370 OH TYR A 83 1.793 -18.218 -5.541 1.00 0.00 O ATOM 0 H TYR A 83 6.289 -15.407 -6.467 1.00 0.00 H new ATOM 0 HA TYR A 83 8.470 -16.061 -8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.285 -18.233 -8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 83 7.807 -17.686 -6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.099 -16.766 -5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 83 4.991 -18.772 -8.737 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.785 -17.027 -4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.685 -19.079 -7.870 1.00 0.00 H new ATOM 0 HH TYR A 83 1.260 -18.688 -6.216 1.00 0.00 H new