USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 804 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 Single : A 9 ASN : amide:sc= -0.966 X(o=-0.97,f=-0.47!) USER MOD Single : A 17 ASN : amide:sc= -0.451 K(o=-0.45,f=-2.8!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -50:sc= 1.27 USER MOD Single : A 31 TYR OH : rot -41:sc= 0.0122 USER MOD Single : A 35 MET CE :methyl 163:sc= -3.29! (180deg=-3.5!) USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.89 USER MOD Single : A 38 ASN : amide:sc= -1.01 K(o=-1,f=-11!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.339 (180deg=-0.571) USER MOD Single : A 47 SER OG : rot 150:sc= -0.0987 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.816 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -133:sc= -0.334 (180deg=-1.3!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.1) USER MOD Single : A 106 GLN : amide:sc= -0.0838 K(o=-0.084,f=-0.64) USER MOD Single : A 109 ASN : amide:sc= 1.37 K(o=1.4,f=-0.11) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-3.9!) USER MOD Single : A 118 GLN : amide:sc= 0.413 K(o=0.41,f=-0.67) USER MOD Single : A 119 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.3!) USER MOD Single : A 122 CYS SG : rot -89:sc= -1.25 USER MOD Single : A 124 HIS : no HD1:sc= 0.0513 K(o=0.051,f=-2.9!) USER MOD Single : A 125 MET CE :methyl -171:sc= -0.869 (180deg=-0.94) USER MOD Single : A 128 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -21.817 -11.700 -11.741 1.00 0.00 N ATOM 78 CA ASN A 9 -21.435 -10.937 -10.565 1.00 0.00 C ATOM 79 C ASN A 9 -20.060 -10.308 -10.796 1.00 0.00 C ATOM 80 O ASN A 9 -19.294 -10.773 -11.638 1.00 0.00 O ATOM 81 CB ASN A 9 -21.342 -11.837 -9.331 1.00 0.00 C ATOM 82 CG ASN A 9 -20.721 -13.190 -9.684 1.00 0.00 C ATOM 83 OD1 ASN A 9 -21.186 -13.907 -10.554 1.00 0.00 O ATOM 84 ND2 ASN A 9 -19.646 -13.496 -8.962 1.00 0.00 N ATOM 0 HA ASN A 9 -22.194 -10.173 -10.397 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.743 -11.347 -8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.336 -11.988 -8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.158 -14.377 -9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.310 -12.849 -8.249 1.00 0.00 H new ATOM 91 N PHE A 10 -19.788 -9.260 -10.033 1.00 0.00 N ATOM 92 CA PHE A 10 -18.519 -8.562 -10.143 1.00 0.00 C ATOM 93 C PHE A 10 -18.208 -7.783 -8.864 1.00 0.00 C ATOM 94 O PHE A 10 -18.995 -6.937 -8.441 1.00 0.00 O ATOM 95 CB PHE A 10 -18.650 -7.577 -11.307 1.00 0.00 C ATOM 96 CG PHE A 10 -19.377 -6.280 -10.945 1.00 0.00 C ATOM 97 CD1 PHE A 10 -18.698 -5.264 -10.349 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.701 -6.144 -11.221 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.373 -4.060 -10.014 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.376 -4.940 -10.886 1.00 0.00 C ATOM 101 CZ PHE A 10 -20.698 -3.924 -10.289 1.00 0.00 C ATOM 0 H PHE A 10 -20.426 -8.877 -9.335 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.714 -9.278 -10.304 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.654 -7.332 -11.677 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.182 -8.064 -12.124 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.646 -5.372 -10.130 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.240 -6.951 -11.695 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -18.834 -3.252 -9.541 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.428 -4.832 -11.106 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.212 -3.009 -10.033 1.00 0.00 H new ATOM 111 N LEU A 11 -17.058 -8.095 -8.283 1.00 0.00 N ATOM 112 CA LEU A 11 -16.634 -7.435 -7.061 1.00 0.00 C ATOM 113 C LEU A 11 -15.315 -6.701 -7.314 1.00 0.00 C ATOM 114 O LEU A 11 -14.275 -7.332 -7.498 1.00 0.00 O ATOM 115 CB LEU A 11 -16.568 -8.437 -5.906 1.00 0.00 C ATOM 116 CG LEU A 11 -15.848 -7.959 -4.643 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.831 -7.319 -3.661 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.054 -9.097 -4.001 1.00 0.00 C ATOM 0 H LEU A 11 -16.407 -8.796 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.365 -6.684 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.586 -8.717 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.073 -9.340 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.132 -7.189 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.294 -6.988 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.312 -6.463 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.588 -8.049 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.552 -8.730 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.732 -9.907 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.311 -9.466 -4.708 1.00 0.00 H new ATOM 130 N GLU A 12 -15.402 -5.379 -7.315 1.00 0.00 N ATOM 131 CA GLU A 12 -14.228 -4.553 -7.542 1.00 0.00 C ATOM 132 C GLU A 12 -14.212 -3.374 -6.567 1.00 0.00 C ATOM 133 O GLU A 12 -15.247 -3.011 -6.009 1.00 0.00 O ATOM 134 CB GLU A 12 -14.173 -4.066 -8.992 1.00 0.00 C ATOM 135 CG GLU A 12 -13.936 -5.233 -9.953 1.00 0.00 C ATOM 136 CD GLU A 12 -12.545 -5.150 -10.583 1.00 0.00 C ATOM 137 OE1 GLU A 12 -12.127 -4.013 -10.890 1.00 0.00 O ATOM 138 OE2 GLU A 12 -11.930 -6.227 -10.744 1.00 0.00 O ATOM 0 H GLU A 12 -16.266 -4.860 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.340 -5.160 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.107 -3.564 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.376 -3.331 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.041 -6.177 -9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.695 -5.224 -10.736 1.00 0.00 H new ATOM 145 N ILE A 13 -13.027 -2.808 -6.393 1.00 0.00 N ATOM 146 CA ILE A 13 -12.863 -1.677 -5.495 1.00 0.00 C ATOM 147 C ILE A 13 -12.003 -0.611 -6.176 1.00 0.00 C ATOM 148 O ILE A 13 -11.036 -0.935 -6.864 1.00 0.00 O ATOM 149 CB ILE A 13 -12.313 -2.140 -4.145 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.332 -3.010 -3.407 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.857 -0.949 -3.300 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.742 -4.381 -3.071 1.00 0.00 C ATOM 0 H ILE A 13 -12.171 -3.111 -6.858 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.828 -1.219 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.435 -2.759 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.646 -2.511 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.223 -3.135 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.471 -1.307 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.073 -0.407 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.702 -0.284 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.487 -4.979 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.452 -4.888 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.866 -4.254 -2.435 1.00 0.00 H new ATOM 164 N ASP A 14 -12.386 0.639 -5.962 1.00 0.00 N ATOM 165 CA ASP A 14 -11.661 1.755 -6.547 1.00 0.00 C ATOM 166 C ASP A 14 -11.011 2.576 -5.431 1.00 0.00 C ATOM 167 O ASP A 14 -11.613 2.786 -4.379 1.00 0.00 O ATOM 168 CB ASP A 14 -12.603 2.676 -7.325 1.00 0.00 C ATOM 169 CG ASP A 14 -12.908 2.230 -8.756 1.00 0.00 C ATOM 170 OD1 ASP A 14 -13.811 1.379 -8.905 1.00 0.00 O ATOM 171 OD2 ASP A 14 -12.230 2.749 -9.669 1.00 0.00 O ATOM 0 H ASP A 14 -13.189 0.904 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.910 1.351 -7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.542 2.756 -6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.166 3.674 -7.357 1.00 0.00 H new ATOM 176 N ILE A 15 -9.792 3.018 -5.700 1.00 0.00 N ATOM 177 CA ILE A 15 -9.053 3.812 -4.732 1.00 0.00 C ATOM 178 C ILE A 15 -8.552 5.091 -5.405 1.00 0.00 C ATOM 179 O ILE A 15 -7.574 5.063 -6.150 1.00 0.00 O ATOM 180 CB ILE A 15 -7.942 2.978 -4.091 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.512 1.722 -3.428 1.00 0.00 C ATOM 182 CG2 ILE A 15 -7.120 3.820 -3.113 1.00 0.00 C ATOM 183 CD1 ILE A 15 -7.653 1.293 -2.237 1.00 0.00 C ATOM 0 H ILE A 15 -9.297 2.842 -6.574 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.704 4.116 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.265 2.647 -4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.532 1.913 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.561 0.912 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.337 3.204 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.667 4.656 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.770 4.201 -2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.080 0.398 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.640 1.079 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.626 2.096 -1.500 1.00 0.00 H new ATOM 195 N PHE A 16 -9.245 6.184 -5.118 1.00 0.00 N ATOM 196 CA PHE A 16 -8.882 7.471 -5.685 1.00 0.00 C ATOM 197 C PHE A 16 -9.198 8.608 -4.712 1.00 0.00 C ATOM 198 O PHE A 16 -9.600 8.364 -3.575 1.00 0.00 O ATOM 199 CB PHE A 16 -9.719 7.653 -6.953 1.00 0.00 C ATOM 200 CG PHE A 16 -11.228 7.693 -6.702 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.820 8.850 -6.303 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.976 6.571 -6.877 1.00 0.00 C ATOM 203 CE1 PHE A 16 -13.220 8.887 -6.070 1.00 0.00 C ATOM 204 CE2 PHE A 16 -13.376 6.608 -6.644 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.969 7.765 -6.245 1.00 0.00 C ATOM 0 H PHE A 16 -10.056 6.204 -4.500 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.813 7.496 -5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.418 8.578 -7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.497 6.838 -7.643 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.225 9.741 -6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.505 5.652 -7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.690 9.806 -5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.970 5.717 -6.784 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.034 7.793 -6.067 1.00 0.00 H new ATOM 215 N ASN A 17 -9.004 9.827 -5.194 1.00 0.00 N ATOM 216 CA ASN A 17 -9.264 11.003 -4.380 1.00 0.00 C ATOM 217 C ASN A 17 -8.282 11.034 -3.207 1.00 0.00 C ATOM 218 O ASN A 17 -8.686 10.910 -2.052 1.00 0.00 O ATOM 219 CB ASN A 17 -10.683 10.975 -3.809 1.00 0.00 C ATOM 220 CG ASN A 17 -11.579 11.996 -4.514 1.00 0.00 C ATOM 221 OD1 ASN A 17 -11.180 12.668 -5.451 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.808 12.073 -4.013 1.00 0.00 N ATOM 0 H ASN A 17 -8.670 10.026 -6.137 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.147 11.883 -5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.105 9.976 -3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.653 11.189 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.483 12.724 -4.415 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.076 11.481 -3.227 1.00 0.00 H new ATOM 229 N PRO A 18 -6.978 11.203 -3.554 1.00 0.00 N ATOM 230 CA PRO A 18 -5.935 11.251 -2.543 1.00 0.00 C ATOM 231 C PRO A 18 -5.949 12.591 -1.805 1.00 0.00 C ATOM 232 O PRO A 18 -6.150 13.639 -2.416 1.00 0.00 O ATOM 233 CB PRO A 18 -4.641 11.004 -3.301 1.00 0.00 C ATOM 234 CG PRO A 18 -4.952 11.288 -4.761 1.00 0.00 C ATOM 235 CD PRO A 18 -6.463 11.353 -4.912 1.00 0.00 C ATOM 0 HA PRO A 18 -6.072 10.504 -1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.845 11.654 -2.938 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.300 9.977 -3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.497 12.228 -5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.538 10.507 -5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.777 12.300 -5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.830 10.561 -5.565 1.00 0.00 H new ATOM 243 N GLN A 19 -5.732 12.514 -0.500 1.00 0.00 N ATOM 244 CA GLN A 19 -5.717 13.707 0.329 1.00 0.00 C ATOM 245 C GLN A 19 -4.738 13.534 1.492 1.00 0.00 C ATOM 246 O GLN A 19 -4.865 12.598 2.280 1.00 0.00 O ATOM 247 CB GLN A 19 -7.121 14.039 0.838 1.00 0.00 C ATOM 248 CG GLN A 19 -7.489 15.491 0.528 1.00 0.00 C ATOM 249 CD GLN A 19 -8.763 15.904 1.267 1.00 0.00 C ATOM 250 OE1 GLN A 19 -8.816 15.959 2.484 1.00 0.00 O ATOM 251 NE2 GLN A 19 -9.785 16.190 0.464 1.00 0.00 N ATOM 0 H GLN A 19 -5.565 11.643 0.004 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.380 14.545 -0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.847 13.370 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.171 13.869 1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.668 16.147 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.632 15.612 -0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.673 16.124 -0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.680 16.476 0.860 1.00 0.00 H new ATOM 260 N THR A 20 -3.784 14.450 1.562 1.00 0.00 N ATOM 261 CA THR A 20 -2.784 14.411 2.616 1.00 0.00 C ATOM 262 C THR A 20 -3.354 14.986 3.914 1.00 0.00 C ATOM 263 O THR A 20 -4.102 15.962 3.888 1.00 0.00 O ATOM 264 CB THR A 20 -1.542 15.151 2.117 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.062 14.342 1.046 1.00 0.00 O ATOM 266 CG2 THR A 20 -0.402 15.135 3.136 1.00 0.00 C ATOM 0 H THR A 20 -3.682 15.224 0.906 1.00 0.00 H new ATOM 0 HA THR A 20 -2.497 13.386 2.851 1.00 0.00 H new ATOM 0 HB THR A 20 -1.805 16.183 1.883 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.258 14.750 0.663 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.455 15.674 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.731 15.615 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.116 14.104 3.346 1.00 0.00 H new ATOM 412 N THR A 30 -4.563 9.929 2.672 1.00 0.00 N ATOM 413 CA THR A 30 -5.730 9.062 2.675 1.00 0.00 C ATOM 414 C THR A 30 -6.211 8.811 1.244 1.00 0.00 C ATOM 415 O THR A 30 -5.755 9.467 0.308 1.00 0.00 O ATOM 416 CB THR A 30 -6.792 9.703 3.570 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.048 10.964 2.958 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.251 10.064 4.955 1.00 0.00 C ATOM 0 HA THR A 30 -5.492 8.079 3.081 1.00 0.00 H new ATOM 0 HB THR A 30 -7.636 9.021 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.199 11.423 2.788 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.045 10.515 5.550 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.893 9.162 5.452 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.429 10.772 4.851 1.00 0.00 H new ATOM 426 N TYR A 31 -7.126 7.861 1.120 1.00 0.00 N ATOM 427 CA TYR A 31 -7.674 7.516 -0.181 1.00 0.00 C ATOM 428 C TYR A 31 -9.127 7.053 -0.058 1.00 0.00 C ATOM 429 O TYR A 31 -9.473 6.322 0.870 1.00 0.00 O ATOM 430 CB TYR A 31 -6.824 6.356 -0.702 1.00 0.00 C ATOM 431 CG TYR A 31 -5.335 6.685 -0.833 1.00 0.00 C ATOM 432 CD1 TYR A 31 -4.875 7.369 -1.939 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.454 6.297 0.156 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.474 7.679 -2.062 1.00 0.00 C ATOM 435 CE2 TYR A 31 -3.053 6.606 0.033 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.632 7.282 -1.070 1.00 0.00 C ATOM 437 OH TYR A 31 -1.309 7.575 -1.186 1.00 0.00 O ATOM 0 H TYR A 31 -7.502 7.320 1.899 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.656 8.379 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.940 5.504 -0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.205 6.049 -1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.565 7.672 -2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.815 5.762 1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.100 8.214 -2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.352 6.308 0.799 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.023 7.433 -2.112 1.00 0.00 H new ATOM 447 N GLU A 32 -9.938 7.496 -1.007 1.00 0.00 N ATOM 448 CA GLU A 32 -11.346 7.136 -1.017 1.00 0.00 C ATOM 449 C GLU A 32 -11.527 5.715 -1.554 1.00 0.00 C ATOM 450 O GLU A 32 -11.186 5.434 -2.702 1.00 0.00 O ATOM 451 CB GLU A 32 -12.163 8.139 -1.834 1.00 0.00 C ATOM 452 CG GLU A 32 -12.477 9.390 -1.011 1.00 0.00 C ATOM 453 CD GLU A 32 -11.247 9.853 -0.227 1.00 0.00 C ATOM 454 OE1 GLU A 32 -10.838 9.100 0.683 1.00 0.00 O ATOM 455 OE2 GLU A 32 -10.744 10.950 -0.555 1.00 0.00 O ATOM 0 H GLU A 32 -9.647 8.101 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.715 7.166 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.610 8.419 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.092 7.674 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.814 10.189 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.295 9.180 -0.321 1.00 0.00 H new ATOM 462 N VAL A 33 -12.063 4.857 -0.698 1.00 0.00 N ATOM 463 CA VAL A 33 -12.293 3.472 -1.073 1.00 0.00 C ATOM 464 C VAL A 33 -13.748 3.302 -1.513 1.00 0.00 C ATOM 465 O VAL A 33 -14.649 3.230 -0.678 1.00 0.00 O ATOM 466 CB VAL A 33 -11.906 2.546 0.083 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.965 1.079 -0.347 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.522 2.902 0.630 1.00 0.00 C ATOM 0 H VAL A 33 -12.344 5.094 0.253 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.663 3.196 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.630 2.689 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.686 0.442 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.978 0.834 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.274 0.914 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.271 2.229 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.780 2.801 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.527 3.930 0.992 1.00 0.00 H new ATOM 478 N ARG A 34 -13.934 3.243 -2.823 1.00 0.00 N ATOM 479 CA ARG A 34 -15.264 3.083 -3.384 1.00 0.00 C ATOM 480 C ARG A 34 -15.434 1.673 -3.954 1.00 0.00 C ATOM 481 O ARG A 34 -14.898 1.360 -5.016 1.00 0.00 O ATOM 482 CB ARG A 34 -15.522 4.107 -4.491 1.00 0.00 C ATOM 483 CG ARG A 34 -17.022 4.290 -4.730 1.00 0.00 C ATOM 484 CD ARG A 34 -17.279 5.214 -5.923 1.00 0.00 C ATOM 485 NE ARG A 34 -18.559 5.933 -5.740 1.00 0.00 N ATOM 486 CZ ARG A 34 -19.063 6.807 -6.622 1.00 0.00 C ATOM 487 NH1 ARG A 34 -18.397 7.074 -7.754 1.00 0.00 N ATOM 488 NH2 ARG A 34 -20.231 7.413 -6.373 1.00 0.00 N ATOM 0 H ARG A 34 -13.185 3.303 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.984 3.243 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.074 5.063 -4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.040 3.781 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.486 3.320 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.488 4.706 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.462 5.929 -6.022 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.308 4.632 -6.844 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.091 5.752 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.508 6.612 -7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.780 7.739 -8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.738 7.209 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.614 8.078 -7.045 1.00 0.00 H new ATOM 502 N MET A 35 -16.182 0.860 -3.223 1.00 0.00 N ATOM 503 CA MET A 35 -16.429 -0.509 -3.642 1.00 0.00 C ATOM 504 C MET A 35 -17.823 -0.652 -4.256 1.00 0.00 C ATOM 505 O MET A 35 -18.726 0.123 -3.942 1.00 0.00 O ATOM 506 CB MET A 35 -16.305 -1.443 -2.436 1.00 0.00 C ATOM 507 CG MET A 35 -16.723 -2.869 -2.801 1.00 0.00 C ATOM 508 SD MET A 35 -18.489 -3.054 -2.612 1.00 0.00 S ATOM 509 CE MET A 35 -18.538 -4.094 -1.163 1.00 0.00 C ATOM 0 H MET A 35 -16.625 1.123 -2.343 1.00 0.00 H new ATOM 0 HA MET A 35 -15.690 -0.776 -4.398 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.276 -1.443 -2.076 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.928 -1.075 -1.621 1.00 0.00 H new ATOM 0 HG2 MET A 35 -16.434 -3.090 -3.828 1.00 0.00 H new ATOM 0 HG3 MET A 35 -16.204 -3.584 -2.163 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.537 -4.064 -0.728 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.294 -5.119 -1.442 1.00 0.00 H new ATOM 0 HE3 MET A 35 -17.813 -3.735 -0.433 1.00 0.00 H new ATOM 519 N ARG A 36 -17.955 -1.647 -5.121 1.00 0.00 N ATOM 520 CA ARG A 36 -19.224 -1.900 -5.782 1.00 0.00 C ATOM 521 C ARG A 36 -19.351 -3.383 -6.137 1.00 0.00 C ATOM 522 O ARG A 36 -18.644 -3.878 -7.014 1.00 0.00 O ATOM 523 CB ARG A 36 -19.357 -1.065 -7.057 1.00 0.00 C ATOM 524 CG ARG A 36 -20.237 0.164 -6.818 1.00 0.00 C ATOM 525 CD ARG A 36 -21.038 0.518 -8.072 1.00 0.00 C ATOM 526 NE ARG A 36 -20.462 1.717 -8.719 1.00 0.00 N ATOM 527 CZ ARG A 36 -20.988 2.315 -9.797 1.00 0.00 C ATOM 528 NH1 ARG A 36 -22.104 1.828 -10.356 1.00 0.00 N ATOM 529 NH2 ARG A 36 -20.397 3.400 -10.317 1.00 0.00 N ATOM 0 H ARG A 36 -17.204 -2.287 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 36 -20.019 -1.618 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.370 -0.750 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.786 -1.675 -7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.918 -0.028 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.614 1.011 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -21.029 -0.321 -8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.080 0.702 -7.808 1.00 0.00 H new ATOM 0 HE ARG A 36 -19.611 2.114 -8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -22.554 1.002 -9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -22.504 2.283 -11.176 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.547 3.771 -9.892 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -20.797 3.855 -11.137 1.00 0.00 H new ATOM 543 N THR A 37 -20.256 -4.051 -5.437 1.00 0.00 N ATOM 544 CA THR A 37 -20.484 -5.467 -5.667 1.00 0.00 C ATOM 545 C THR A 37 -21.982 -5.755 -5.780 1.00 0.00 C ATOM 546 O THR A 37 -22.808 -4.911 -5.435 1.00 0.00 O ATOM 547 CB THR A 37 -19.799 -6.246 -4.542 1.00 0.00 C ATOM 548 OG1 THR A 37 -19.961 -7.611 -4.916 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.547 -6.133 -3.212 1.00 0.00 C ATOM 0 H THR A 37 -20.840 -3.638 -4.710 1.00 0.00 H new ATOM 0 HA THR A 37 -20.051 -5.788 -6.614 1.00 0.00 H new ATOM 0 HB THR A 37 -18.779 -5.882 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.689 -8.188 -4.172 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.019 -6.704 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.599 -5.086 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.556 -6.528 -3.327 1.00 0.00 H new ATOM 557 N ASN A 38 -22.288 -6.949 -6.266 1.00 0.00 N ATOM 558 CA ASN A 38 -23.673 -7.358 -6.429 1.00 0.00 C ATOM 559 C ASN A 38 -23.899 -8.681 -5.694 1.00 0.00 C ATOM 560 O ASN A 38 -24.850 -9.404 -5.988 1.00 0.00 O ATOM 561 CB ASN A 38 -24.014 -7.573 -7.904 1.00 0.00 C ATOM 562 CG ASN A 38 -23.356 -8.846 -8.440 1.00 0.00 C ATOM 563 OD1 ASN A 38 -22.160 -9.054 -8.322 1.00 0.00 O ATOM 564 ND2 ASN A 38 -24.202 -9.684 -9.032 1.00 0.00 N ATOM 0 H ASN A 38 -21.601 -7.646 -6.552 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.307 -6.570 -6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -25.095 -7.640 -8.025 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.681 -6.714 -8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.861 -10.563 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -25.192 -9.448 -9.097 1.00 0.00 H new ATOM 571 N LEU A 39 -23.010 -8.958 -4.752 1.00 0.00 N ATOM 572 CA LEU A 39 -23.100 -10.181 -3.972 1.00 0.00 C ATOM 573 C LEU A 39 -23.900 -9.909 -2.697 1.00 0.00 C ATOM 574 O LEU A 39 -23.941 -8.779 -2.214 1.00 0.00 O ATOM 575 CB LEU A 39 -21.706 -10.755 -3.714 1.00 0.00 C ATOM 576 CG LEU A 39 -20.759 -10.785 -4.915 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.371 -11.283 -4.507 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.351 -11.609 -6.060 1.00 0.00 C ATOM 0 H LEU A 39 -22.223 -8.356 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.637 -10.950 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.236 -10.173 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.818 -11.772 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.640 -9.765 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.718 -11.295 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.954 -10.619 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.451 -12.291 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -20.658 -11.614 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.520 -12.632 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.298 -11.169 -6.373 1.00 0.00 H new ATOM 590 N PRO A 40 -24.534 -10.994 -2.174 1.00 0.00 N ATOM 591 CA PRO A 40 -25.330 -10.884 -0.964 1.00 0.00 C ATOM 592 C PRO A 40 -24.436 -10.767 0.272 1.00 0.00 C ATOM 593 O PRO A 40 -24.752 -10.027 1.203 1.00 0.00 O ATOM 594 CB PRO A 40 -26.201 -12.130 -0.952 1.00 0.00 C ATOM 595 CG PRO A 40 -25.535 -13.113 -1.901 1.00 0.00 C ATOM 596 CD PRO A 40 -24.508 -12.348 -2.719 1.00 0.00 C ATOM 0 HA PRO A 40 -25.945 -9.984 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.274 -12.546 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.216 -11.900 -1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.056 -13.918 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.276 -13.575 -2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.517 -12.793 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -24.762 -12.353 -3.779 1.00 0.00 H new ATOM 604 N ILE A 41 -23.338 -11.508 0.241 1.00 0.00 N ATOM 605 CA ILE A 41 -22.397 -11.497 1.348 1.00 0.00 C ATOM 606 C ILE A 41 -22.279 -10.073 1.897 1.00 0.00 C ATOM 607 O ILE A 41 -22.296 -9.869 3.110 1.00 0.00 O ATOM 608 CB ILE A 41 -21.059 -12.103 0.919 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.240 -11.102 0.102 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.270 -13.419 0.168 1.00 0.00 C ATOM 611 CD1 ILE A 41 -18.826 -11.630 -0.153 1.00 0.00 C ATOM 0 H ILE A 41 -23.079 -12.120 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.759 -12.124 2.162 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.484 -12.332 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -20.737 -10.910 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.187 -10.151 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.304 -13.829 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -21.784 -14.129 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -21.873 -13.238 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.265 -10.900 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.323 -11.798 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -18.882 -12.568 -0.705 1.00 0.00 H new ATOM 623 N PHE A 42 -22.161 -9.126 0.977 1.00 0.00 N ATOM 624 CA PHE A 42 -22.040 -7.728 1.354 1.00 0.00 C ATOM 625 C PHE A 42 -23.414 -7.113 1.624 1.00 0.00 C ATOM 626 O PHE A 42 -24.323 -7.229 0.804 1.00 0.00 O ATOM 627 CB PHE A 42 -21.392 -7.002 0.175 1.00 0.00 C ATOM 628 CG PHE A 42 -19.921 -7.362 -0.046 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.593 -8.452 -0.791 1.00 0.00 C ATOM 630 CD2 PHE A 42 -18.943 -6.593 0.502 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.228 -8.786 -0.996 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.578 -6.928 0.297 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.249 -8.017 -0.448 1.00 0.00 C ATOM 0 H PHE A 42 -22.147 -9.300 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.446 -7.637 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -21.952 -7.232 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.472 -5.927 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.370 -9.063 -1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.204 -5.728 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.967 -9.651 -1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -16.801 -6.318 0.733 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.211 -8.271 -0.604 1.00 0.00 H new ATOM 643 N LYS A 43 -23.523 -6.470 2.778 1.00 0.00 N ATOM 644 CA LYS A 43 -24.771 -5.836 3.166 1.00 0.00 C ATOM 645 C LYS A 43 -25.053 -4.659 2.231 1.00 0.00 C ATOM 646 O LYS A 43 -26.120 -4.586 1.622 1.00 0.00 O ATOM 647 CB LYS A 43 -24.738 -5.450 4.647 1.00 0.00 C ATOM 648 CG LYS A 43 -26.068 -4.831 5.082 1.00 0.00 C ATOM 649 CD LYS A 43 -26.953 -5.867 5.779 1.00 0.00 C ATOM 650 CE LYS A 43 -27.511 -5.317 7.093 1.00 0.00 C ATOM 651 NZ LYS A 43 -28.270 -6.364 7.812 1.00 0.00 N ATOM 0 H LYS A 43 -22.767 -6.375 3.456 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.601 -6.534 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.528 -6.332 5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.928 -4.742 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -25.881 -3.995 5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.588 -4.429 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -27.775 -6.150 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -26.376 -6.771 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -26.695 -4.957 7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.159 -4.464 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -28.642 -5.974 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -29.060 -6.689 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -27.642 -7.166 8.021 1.00 0.00 H new ATOM 665 N LEU A 44 -24.078 -3.766 2.144 1.00 0.00 N ATOM 666 CA LEU A 44 -24.207 -2.596 1.293 1.00 0.00 C ATOM 667 C LEU A 44 -23.704 -2.934 -0.112 1.00 0.00 C ATOM 668 O LEU A 44 -22.819 -3.774 -0.272 1.00 0.00 O ATOM 669 CB LEU A 44 -23.505 -1.392 1.925 1.00 0.00 C ATOM 670 CG LEU A 44 -23.658 -1.246 3.440 1.00 0.00 C ATOM 671 CD1 LEU A 44 -23.103 0.096 3.920 1.00 0.00 C ATOM 672 CD2 LEU A 44 -25.114 -1.449 3.866 1.00 0.00 C ATOM 0 H LEU A 44 -23.194 -3.830 2.650 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.254 -2.310 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.442 -1.452 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.884 -0.486 1.452 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.070 -2.028 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -23.224 0.174 5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -22.045 0.163 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.644 0.908 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.195 -1.340 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.743 -0.705 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.442 -2.447 3.576 1.00 0.00 H new ATOM 684 N LYS A 45 -24.288 -2.263 -1.093 1.00 0.00 N ATOM 685 CA LYS A 45 -23.909 -2.482 -2.479 1.00 0.00 C ATOM 686 C LYS A 45 -22.768 -1.532 -2.847 1.00 0.00 C ATOM 687 O LYS A 45 -21.831 -1.922 -3.542 1.00 0.00 O ATOM 688 CB LYS A 45 -25.130 -2.360 -3.393 1.00 0.00 C ATOM 689 CG LYS A 45 -26.280 -3.235 -2.892 1.00 0.00 C ATOM 690 CD LYS A 45 -26.049 -4.704 -3.253 1.00 0.00 C ATOM 691 CE LYS A 45 -26.800 -5.078 -4.533 1.00 0.00 C ATOM 692 NZ LYS A 45 -26.257 -4.331 -5.689 1.00 0.00 N ATOM 0 H LYS A 45 -25.021 -1.567 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.536 -3.497 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.453 -1.320 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.860 -2.654 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.375 -3.133 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.219 -2.893 -3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.983 -4.886 -3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -26.381 -5.340 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -26.714 -6.150 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.861 -4.858 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.589 -4.768 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.582 -3.344 -5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.218 -4.355 -5.661 1.00 0.00 H new ATOM 706 N GLU A 46 -22.884 -0.303 -2.364 1.00 0.00 N ATOM 707 CA GLU A 46 -21.873 0.705 -2.634 1.00 0.00 C ATOM 708 C GLU A 46 -21.718 1.637 -1.430 1.00 0.00 C ATOM 709 O GLU A 46 -22.703 1.995 -0.787 1.00 0.00 O ATOM 710 CB GLU A 46 -22.212 1.496 -3.899 1.00 0.00 C ATOM 711 CG GLU A 46 -21.090 2.476 -4.250 1.00 0.00 C ATOM 712 CD GLU A 46 -21.660 3.801 -4.760 1.00 0.00 C ATOM 713 OE1 GLU A 46 -22.413 4.430 -3.986 1.00 0.00 O ATOM 714 OE2 GLU A 46 -21.329 4.156 -5.912 1.00 0.00 O ATOM 0 H GLU A 46 -23.662 0.017 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.922 0.201 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -22.373 0.809 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -23.144 2.042 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -20.471 2.656 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -20.444 2.037 -5.010 1.00 0.00 H new ATOM 721 N SER A 47 -20.473 2.002 -1.162 1.00 0.00 N ATOM 722 CA SER A 47 -20.176 2.885 -0.047 1.00 0.00 C ATOM 723 C SER A 47 -18.841 3.593 -0.281 1.00 0.00 C ATOM 724 O SER A 47 -18.078 3.211 -1.167 1.00 0.00 O ATOM 725 CB SER A 47 -20.142 2.112 1.273 1.00 0.00 C ATOM 726 OG SER A 47 -19.986 2.978 2.395 1.00 0.00 O ATOM 0 H SER A 47 -19.658 1.702 -1.698 1.00 0.00 H new ATOM 0 HA SER A 47 -20.968 3.630 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.063 1.540 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.322 1.394 1.252 1.00 0.00 H new ATOM 0 HG SER A 47 -20.427 2.584 3.176 1.00 0.00 H new ATOM 732 N CYS A 48 -18.598 4.614 0.528 1.00 0.00 N ATOM 733 CA CYS A 48 -17.368 5.380 0.420 1.00 0.00 C ATOM 734 C CYS A 48 -16.797 5.572 1.826 1.00 0.00 C ATOM 735 O CYS A 48 -17.480 6.083 2.713 1.00 0.00 O ATOM 736 CB CYS A 48 -17.594 6.715 -0.293 1.00 0.00 C ATOM 737 SG CYS A 48 -16.090 7.191 -1.220 1.00 0.00 S ATOM 0 H CYS A 48 -19.233 4.929 1.262 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.649 4.835 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.441 6.634 -0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.843 7.488 0.434 1.00 0.00 H new ATOM 0 HG CYS A 48 -16.293 8.324 -1.824 1.00 0.00 H new ATOM 743 N VAL A 49 -15.550 5.154 1.986 1.00 0.00 N ATOM 744 CA VAL A 49 -14.879 5.274 3.269 1.00 0.00 C ATOM 745 C VAL A 49 -13.395 5.567 3.038 1.00 0.00 C ATOM 746 O VAL A 49 -12.900 5.439 1.920 1.00 0.00 O ATOM 747 CB VAL A 49 -15.116 4.014 4.104 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.600 3.849 4.438 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.574 2.773 3.390 1.00 0.00 C ATOM 0 H VAL A 49 -14.987 4.732 1.248 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.291 6.107 3.838 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.572 4.126 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.741 2.946 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.944 4.714 5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -17.174 3.769 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.755 1.891 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -15.078 2.656 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.502 2.887 3.226 1.00 0.00 H new ATOM 759 N ARG A 50 -12.728 5.957 4.115 1.00 0.00 N ATOM 760 CA ARG A 50 -11.311 6.270 4.044 1.00 0.00 C ATOM 761 C ARG A 50 -10.497 5.224 4.808 1.00 0.00 C ATOM 762 O ARG A 50 -10.804 4.912 5.958 1.00 0.00 O ATOM 763 CB ARG A 50 -11.022 7.655 4.626 1.00 0.00 C ATOM 764 CG ARG A 50 -10.678 8.654 3.519 1.00 0.00 C ATOM 765 CD ARG A 50 -10.351 10.029 4.104 1.00 0.00 C ATOM 766 NE ARG A 50 -11.595 10.809 4.291 1.00 0.00 N ATOM 767 CZ ARG A 50 -11.625 12.099 4.652 1.00 0.00 C ATOM 768 NH1 ARG A 50 -10.481 12.762 4.867 1.00 0.00 N ATOM 769 NH2 ARG A 50 -12.801 12.726 4.797 1.00 0.00 N ATOM 0 H ARG A 50 -13.143 6.063 5.041 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.023 6.263 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.890 8.008 5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.195 7.591 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.827 8.287 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.516 8.739 2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.837 9.914 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.673 10.564 3.439 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.485 10.335 4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.586 12.285 4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.505 13.744 5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.672 12.221 4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.825 13.708 5.072 1.00 0.00 H new ATOM 783 N ARG A 51 -9.475 4.710 4.139 1.00 0.00 N ATOM 784 CA ARG A 51 -8.615 3.706 4.742 1.00 0.00 C ATOM 785 C ARG A 51 -7.146 4.027 4.460 1.00 0.00 C ATOM 786 O ARG A 51 -6.762 4.238 3.310 1.00 0.00 O ATOM 787 CB ARG A 51 -8.937 2.310 4.203 1.00 0.00 C ATOM 788 CG ARG A 51 -10.312 1.841 4.685 1.00 0.00 C ATOM 789 CD ARG A 51 -10.251 1.371 6.140 1.00 0.00 C ATOM 790 NE ARG A 51 -11.592 0.929 6.585 1.00 0.00 N ATOM 791 CZ ARG A 51 -11.971 0.854 7.868 1.00 0.00 C ATOM 792 NH1 ARG A 51 -11.113 1.192 8.841 1.00 0.00 N ATOM 793 NH2 ARG A 51 -13.207 0.442 8.179 1.00 0.00 N ATOM 0 H ARG A 51 -9.223 4.970 3.185 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.794 3.719 5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.914 2.323 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.173 1.605 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.031 2.655 4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.666 1.028 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.538 0.552 6.237 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.895 2.180 6.778 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.270 0.665 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.172 1.506 8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.401 1.135 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.860 0.185 7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.495 0.385 9.156 1.00 0.00 H new ATOM 807 N ARG A 52 -6.364 4.053 5.529 1.00 0.00 N ATOM 808 CA ARG A 52 -4.945 4.345 5.411 1.00 0.00 C ATOM 809 C ARG A 52 -4.171 3.077 5.045 1.00 0.00 C ATOM 810 O ARG A 52 -4.700 1.971 5.147 1.00 0.00 O ATOM 811 CB ARG A 52 -4.389 4.915 6.718 1.00 0.00 C ATOM 812 CG ARG A 52 -4.764 6.390 6.876 1.00 0.00 C ATOM 813 CD ARG A 52 -5.263 6.680 8.293 1.00 0.00 C ATOM 814 NE ARG A 52 -6.557 5.999 8.523 1.00 0.00 N ATOM 815 CZ ARG A 52 -7.399 6.303 9.520 1.00 0.00 C ATOM 816 NH1 ARG A 52 -7.088 7.277 10.386 1.00 0.00 N ATOM 817 NH2 ARG A 52 -8.552 5.633 9.651 1.00 0.00 N ATOM 0 H ARG A 52 -6.686 3.877 6.481 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.824 5.089 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.777 4.345 7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.304 4.808 6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.898 7.015 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.537 6.652 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.529 6.339 9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.378 7.755 8.434 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.824 5.252 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.210 7.787 10.286 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.729 7.508 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.789 4.892 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.193 5.864 10.410 1.00 0.00 H new ATOM 831 N TYR A 53 -2.930 3.279 4.627 1.00 0.00 N ATOM 832 CA TYR A 53 -2.078 2.166 4.246 1.00 0.00 C ATOM 833 C TYR A 53 -1.900 1.188 5.409 1.00 0.00 C ATOM 834 O TYR A 53 -1.611 0.012 5.197 1.00 0.00 O ATOM 835 CB TYR A 53 -0.719 2.776 3.895 1.00 0.00 C ATOM 836 CG TYR A 53 0.381 1.742 3.645 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.271 0.859 2.590 1.00 0.00 C ATOM 838 CD2 TYR A 53 1.483 1.693 4.474 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.306 -0.114 2.355 1.00 0.00 C ATOM 840 CE2 TYR A 53 2.518 0.720 4.239 1.00 0.00 C ATOM 841 CZ TYR A 53 2.379 -0.135 3.191 1.00 0.00 C ATOM 842 OH TYR A 53 3.356 -1.054 2.969 1.00 0.00 O ATOM 0 H TYR A 53 -2.494 4.197 4.544 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.516 1.615 3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.829 3.396 3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.407 3.434 4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.591 0.898 1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.569 2.384 5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.232 -0.811 1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.385 0.670 4.881 1.00 0.00 H new ATOM 0 HH TYR A 53 4.060 -0.952 3.643 1.00 0.00 H new ATOM 852 N SER A 54 -2.081 1.712 6.613 1.00 0.00 N ATOM 853 CA SER A 54 -1.944 0.900 7.810 1.00 0.00 C ATOM 854 C SER A 54 -3.160 -0.015 7.964 1.00 0.00 C ATOM 855 O SER A 54 -3.015 -1.223 8.140 1.00 0.00 O ATOM 856 CB SER A 54 -1.777 1.775 9.053 1.00 0.00 C ATOM 857 OG SER A 54 -0.591 2.563 8.996 1.00 0.00 O ATOM 0 H SER A 54 -2.321 2.688 6.785 1.00 0.00 H new ATOM 0 HA SER A 54 -1.048 0.288 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.643 2.430 9.154 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.750 1.143 9.940 1.00 0.00 H new ATOM 0 HG SER A 54 -0.522 3.109 9.807 1.00 0.00 H new ATOM 863 N ASP A 55 -4.333 0.597 7.893 1.00 0.00 N ATOM 864 CA ASP A 55 -5.575 -0.147 8.023 1.00 0.00 C ATOM 865 C ASP A 55 -5.476 -1.441 7.213 1.00 0.00 C ATOM 866 O ASP A 55 -5.857 -2.508 7.692 1.00 0.00 O ATOM 867 CB ASP A 55 -6.758 0.659 7.483 1.00 0.00 C ATOM 868 CG ASP A 55 -7.126 1.896 8.304 1.00 0.00 C ATOM 869 OD1 ASP A 55 -7.385 1.719 9.514 1.00 0.00 O ATOM 870 OD2 ASP A 55 -7.140 2.992 7.703 1.00 0.00 O ATOM 0 H ASP A 55 -4.450 1.600 7.747 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.734 -0.357 9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.530 0.972 6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.629 0.006 7.428 1.00 0.00 H new ATOM 875 N PHE A 56 -4.961 -1.304 6.000 1.00 0.00 N ATOM 876 CA PHE A 56 -4.806 -2.450 5.119 1.00 0.00 C ATOM 877 C PHE A 56 -3.929 -3.524 5.765 1.00 0.00 C ATOM 878 O PHE A 56 -4.259 -4.708 5.723 1.00 0.00 O ATOM 879 CB PHE A 56 -4.122 -1.946 3.846 1.00 0.00 C ATOM 880 CG PHE A 56 -5.087 -1.375 2.805 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.858 -2.212 2.060 1.00 0.00 C ATOM 882 CD2 PHE A 56 -5.175 -0.030 2.625 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.753 -1.682 1.094 1.00 0.00 C ATOM 884 CE2 PHE A 56 -6.071 0.501 1.660 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.841 -0.337 0.915 1.00 0.00 C ATOM 0 H PHE A 56 -4.646 -0.417 5.606 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.780 -2.893 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.398 -1.177 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.563 -2.767 3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.789 -3.280 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.563 0.635 3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.364 -2.347 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.141 1.569 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.523 0.066 0.181 1.00 0.00 H new ATOM 895 N GLU A 57 -2.827 -3.072 6.346 1.00 0.00 N ATOM 896 CA GLU A 57 -1.900 -3.979 7.000 1.00 0.00 C ATOM 897 C GLU A 57 -2.627 -4.811 8.058 1.00 0.00 C ATOM 898 O GLU A 57 -2.490 -6.033 8.095 1.00 0.00 O ATOM 899 CB GLU A 57 -0.726 -3.214 7.616 1.00 0.00 C ATOM 900 CG GLU A 57 0.517 -3.313 6.730 1.00 0.00 C ATOM 901 CD GLU A 57 1.794 -3.287 7.573 1.00 0.00 C ATOM 902 OE1 GLU A 57 1.776 -3.922 8.649 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.759 -2.632 7.122 1.00 0.00 O ATOM 0 H GLU A 57 -2.556 -2.089 6.377 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.495 -4.657 6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.999 -2.167 7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.505 -3.615 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.480 -4.233 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.529 -2.486 6.020 1.00 0.00 H new ATOM 910 N TRP A 58 -3.387 -4.116 8.892 1.00 0.00 N ATOM 911 CA TRP A 58 -4.136 -4.775 9.948 1.00 0.00 C ATOM 912 C TRP A 58 -5.166 -5.696 9.292 1.00 0.00 C ATOM 913 O TRP A 58 -5.470 -6.767 9.816 1.00 0.00 O ATOM 914 CB TRP A 58 -4.767 -3.751 10.894 1.00 0.00 C ATOM 915 CG TRP A 58 -5.669 -4.367 11.965 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.409 -4.530 13.269 1.00 0.00 C ATOM 917 CD2 TRP A 58 -6.997 -4.898 11.769 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.467 -5.125 13.926 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.463 -5.356 12.984 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.778 -4.989 10.603 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.726 -5.936 13.152 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.037 -5.571 10.787 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.522 -6.037 12.004 1.00 0.00 C ATOM 0 H TRP A 58 -3.500 -3.103 8.858 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.475 -5.378 10.571 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.973 -3.186 11.383 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.350 -3.040 10.308 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.487 -4.233 13.746 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.510 -5.353 14.919 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.433 -4.638 9.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.068 -6.287 14.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.677 -5.665 9.923 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.508 -6.475 12.064 1.00 0.00 H new ATOM 934 N LEU A 59 -5.676 -5.246 8.154 1.00 0.00 N ATOM 935 CA LEU A 59 -6.666 -6.017 7.421 1.00 0.00 C ATOM 936 C LEU A 59 -6.023 -7.307 6.908 1.00 0.00 C ATOM 937 O LEU A 59 -6.559 -8.396 7.112 1.00 0.00 O ATOM 938 CB LEU A 59 -7.300 -5.165 6.320 1.00 0.00 C ATOM 939 CG LEU A 59 -7.516 -5.861 4.974 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.653 -6.881 5.061 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.747 -4.839 3.860 1.00 0.00 C ATOM 0 H LEU A 59 -5.422 -4.358 7.722 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.486 -6.308 8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.264 -4.803 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.671 -4.290 6.157 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.609 -6.411 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.786 -7.361 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.409 -7.635 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.576 -6.374 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.898 -5.360 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.630 -4.243 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.878 -4.185 3.780 1.00 0.00 H new ATOM 953 N LYS A 60 -4.885 -7.143 6.251 1.00 0.00 N ATOM 954 CA LYS A 60 -4.163 -8.281 5.707 1.00 0.00 C ATOM 955 C LYS A 60 -3.811 -9.245 6.841 1.00 0.00 C ATOM 956 O LYS A 60 -4.254 -10.393 6.844 1.00 0.00 O ATOM 957 CB LYS A 60 -2.951 -7.811 4.900 1.00 0.00 C ATOM 958 CG LYS A 60 -1.887 -8.907 4.820 1.00 0.00 C ATOM 959 CD LYS A 60 -0.981 -8.705 3.604 1.00 0.00 C ATOM 960 CE LYS A 60 0.376 -9.381 3.813 1.00 0.00 C ATOM 961 NZ LYS A 60 1.033 -8.859 5.032 1.00 0.00 N ATOM 0 H LYS A 60 -4.444 -6.239 6.083 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.790 -8.830 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.266 -7.531 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.526 -6.920 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.287 -8.903 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.369 -9.883 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.462 -9.114 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.837 -7.639 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.242 -10.459 3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.013 -9.206 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.024 -8.627 4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.538 -8.002 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.999 -9.580 5.781 1.00 0.00 H new ATOM 975 N ASN A 61 -3.017 -8.745 7.776 1.00 0.00 N ATOM 976 CA ASN A 61 -2.601 -9.548 8.912 1.00 0.00 C ATOM 977 C ASN A 61 -3.817 -10.271 9.494 1.00 0.00 C ATOM 978 O ASN A 61 -3.705 -11.401 9.968 1.00 0.00 O ATOM 979 CB ASN A 61 -1.999 -8.673 10.014 1.00 0.00 C ATOM 980 CG ASN A 61 -0.680 -9.259 10.521 1.00 0.00 C ATOM 981 OD1 ASN A 61 0.397 -8.927 10.052 1.00 0.00 O ATOM 982 ND2 ASN A 61 -0.823 -10.146 11.501 1.00 0.00 N ATOM 0 H ASN A 61 -2.651 -7.793 7.770 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.851 -10.259 8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.831 -7.666 9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.704 -8.587 10.841 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.002 -10.594 11.907 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.754 -10.378 11.847 1.00 0.00 H new ATOM 989 N GLU A 62 -4.953 -9.590 9.439 1.00 0.00 N ATOM 990 CA GLU A 62 -6.189 -10.153 9.954 1.00 0.00 C ATOM 991 C GLU A 62 -6.536 -11.443 9.208 1.00 0.00 C ATOM 992 O GLU A 62 -7.037 -12.395 9.805 1.00 0.00 O ATOM 993 CB GLU A 62 -7.333 -9.142 9.861 1.00 0.00 C ATOM 994 CG GLU A 62 -7.814 -8.729 11.254 1.00 0.00 C ATOM 995 CD GLU A 62 -8.222 -9.952 12.077 1.00 0.00 C ATOM 996 OE1 GLU A 62 -8.796 -10.881 11.468 1.00 0.00 O ATOM 997 OE2 GLU A 62 -7.951 -9.931 13.297 1.00 0.00 O ATOM 0 H GLU A 62 -5.043 -8.653 9.045 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.045 -10.393 11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.001 -8.261 9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.161 -9.575 9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.022 -8.186 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.660 -8.048 11.164 1.00 0.00 H new ATOM 1004 N LEU A 63 -6.255 -11.434 7.913 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.532 -12.592 7.079 1.00 0.00 C ATOM 1006 C LEU A 63 -5.367 -13.579 7.183 1.00 0.00 C ATOM 1007 O LEU A 63 -5.450 -14.697 6.676 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.844 -12.157 5.646 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.791 -10.964 5.498 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.265 -9.973 4.458 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -9.213 -11.429 5.179 1.00 0.00 C ATOM 0 H LEU A 63 -5.839 -10.644 7.421 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.423 -13.112 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.905 -11.914 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.275 -13.006 5.116 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.831 -10.439 6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.956 -9.135 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.286 -9.606 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.177 -10.471 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.866 -10.562 5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.211 -11.991 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.577 -12.066 5.985 1.00 0.00 H new ATOM 1023 N GLU A 64 -4.309 -13.130 7.842 1.00 0.00 N ATOM 1024 CA GLU A 64 -3.130 -13.960 8.018 1.00 0.00 C ATOM 1025 C GLU A 64 -3.193 -14.695 9.358 1.00 0.00 C ATOM 1026 O GLU A 64 -2.241 -14.660 10.136 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.852 -13.125 7.911 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.632 -12.642 6.476 1.00 0.00 C ATOM 1029 CD GLU A 64 -0.163 -12.782 6.069 1.00 0.00 C ATOM 1030 OE1 GLU A 64 0.634 -11.930 6.518 1.00 0.00 O ATOM 1031 OE2 GLU A 64 0.129 -13.738 5.319 1.00 0.00 O ATOM 0 H GLU A 64 -4.244 -12.202 8.260 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.109 -14.702 7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.916 -12.268 8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.997 -13.719 8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.258 -13.218 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.940 -11.600 6.388 1.00 0.00 H new ATOM 1107 N ILE A 69 -5.667 -18.994 3.497 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.020 -17.820 2.718 1.00 0.00 C ATOM 1109 C ILE A 69 -4.754 -17.221 2.103 1.00 0.00 C ATOM 1110 O ILE A 69 -3.724 -17.122 2.767 1.00 0.00 O ATOM 1111 CB ILE A 69 -6.817 -16.831 3.571 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.239 -17.338 3.815 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -6.806 -15.434 2.945 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.169 -16.192 4.219 1.00 0.00 C ATOM 0 HA ILE A 69 -6.676 -18.094 1.892 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.332 -16.752 4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.618 -17.817 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.229 -18.096 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.379 -14.750 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.779 -15.079 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.252 -15.477 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.174 -16.580 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.801 -15.731 5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.196 -15.447 3.423 1.00 0.00 H new ATOM 1126 N VAL A 70 -4.872 -16.837 0.840 1.00 0.00 N ATOM 1127 CA VAL A 70 -3.750 -16.251 0.128 1.00 0.00 C ATOM 1128 C VAL A 70 -3.962 -14.741 0.005 1.00 0.00 C ATOM 1129 O VAL A 70 -4.777 -14.288 -0.798 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.570 -16.942 -1.226 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.457 -16.276 -2.038 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.298 -18.437 -1.046 1.00 0.00 C ATOM 0 H VAL A 70 -5.728 -16.921 0.292 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.824 -16.405 0.682 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.501 -16.835 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.350 -16.786 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.709 -15.230 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.518 -16.337 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.174 -18.904 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.389 -18.573 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.137 -18.900 -0.526 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.214 -14.003 0.812 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.310 -12.553 0.803 1.00 0.00 C ATOM 1144 C VAL A 71 -2.171 -11.976 -0.040 1.00 0.00 C ATOM 1145 O VAL A 71 -1.044 -12.464 0.016 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.321 -12.021 2.238 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.804 -10.570 2.280 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.174 -12.909 3.146 1.00 0.00 C ATOM 0 H VAL A 71 -2.539 -14.382 1.476 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.247 -12.235 0.345 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.298 -12.045 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.803 -10.216 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.139 -9.948 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.815 -10.511 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.165 -12.508 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.198 -12.932 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.768 -13.920 3.152 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.514 -10.917 -0.821 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.534 -10.268 -1.675 1.00 0.00 C ATOM 1160 C PRO A 72 -0.582 -9.396 -0.852 1.00 0.00 C ATOM 1161 O PRO A 72 -0.893 -9.030 0.280 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.351 -9.471 -2.678 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.737 -9.330 -2.068 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.840 -10.312 -0.913 1.00 0.00 C ATOM 0 HA PRO A 72 -0.885 -10.979 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.903 -8.494 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.397 -9.983 -3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.898 -8.310 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.505 -9.536 -2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.110 -9.806 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.606 -11.064 -1.100 1.00 0.00 H new ATOM 1172 N PRO A 73 0.587 -9.081 -1.470 1.00 0.00 N ATOM 1173 CA PRO A 73 1.586 -8.260 -0.808 1.00 0.00 C ATOM 1174 C PRO A 73 1.161 -6.790 -0.787 1.00 0.00 C ATOM 1175 O PRO A 73 0.483 -6.324 -1.701 1.00 0.00 O ATOM 1176 CB PRO A 73 2.870 -8.496 -1.587 1.00 0.00 C ATOM 1177 CG PRO A 73 2.444 -9.072 -2.927 1.00 0.00 C ATOM 1178 CD PRO A 73 0.989 -9.497 -2.811 1.00 0.00 C ATOM 0 HA PRO A 73 1.719 -8.524 0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.423 -7.566 -1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.528 -9.185 -1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.563 -8.330 -3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.070 -9.924 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.375 -9.019 -3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.879 -10.574 -2.941 1.00 0.00 H new ATOM 1186 N LEU A 74 1.578 -6.102 0.265 1.00 0.00 N ATOM 1187 CA LEU A 74 1.249 -4.694 0.417 1.00 0.00 C ATOM 1188 C LEU A 74 2.384 -3.845 -0.158 1.00 0.00 C ATOM 1189 O LEU A 74 3.555 -4.200 -0.033 1.00 0.00 O ATOM 1190 CB LEU A 74 0.922 -4.375 1.877 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.506 -4.689 2.328 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.610 -4.696 3.855 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.508 -3.725 1.690 1.00 0.00 C ATOM 0 H LEU A 74 2.141 -6.493 1.021 1.00 0.00 H new ATOM 0 HA LEU A 74 0.349 -4.450 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.613 -4.929 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.111 -3.315 2.048 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.760 -5.691 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.635 -4.922 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.059 -5.454 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.328 -3.717 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.515 -3.971 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.267 -2.703 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.458 -3.813 0.605 1.00 0.00 H new ATOM 1205 N PRO A 75 1.987 -2.710 -0.794 1.00 0.00 N ATOM 1206 CA PRO A 75 2.957 -1.807 -1.389 1.00 0.00 C ATOM 1207 C PRO A 75 3.681 -0.993 -0.314 1.00 0.00 C ATOM 1208 O PRO A 75 3.084 -0.121 0.316 1.00 0.00 O ATOM 1209 CB PRO A 75 2.155 -0.943 -2.348 1.00 0.00 C ATOM 1210 CG PRO A 75 0.704 -1.077 -1.915 1.00 0.00 C ATOM 1211 CD PRO A 75 0.609 -2.258 -0.962 1.00 0.00 C ATOM 0 HA PRO A 75 3.751 -2.334 -1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.481 0.096 -2.304 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.288 -1.275 -3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.366 -0.164 -1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.060 -1.232 -2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.170 -1.963 -0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.020 -3.048 -1.372 1.00 0.00 H new ATOM 1219 N GLY A 76 4.956 -1.307 -0.138 1.00 0.00 N ATOM 1220 CA GLY A 76 5.767 -0.616 0.850 1.00 0.00 C ATOM 1221 C GLY A 76 7.136 -1.283 0.999 1.00 0.00 C ATOM 1222 O GLY A 76 7.725 -1.726 0.015 1.00 0.00 O ATOM 0 H GLY A 76 5.447 -2.031 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.896 0.426 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.253 -0.614 1.811 1.00 0.00 H new ATOM 1512 N GLU A 94 4.339 12.475 -6.305 1.00 0.00 N ATOM 1513 CA GLU A 94 3.172 12.089 -7.080 1.00 0.00 C ATOM 1514 C GLU A 94 3.164 10.577 -7.311 1.00 0.00 C ATOM 1515 O GLU A 94 2.230 9.888 -6.904 1.00 0.00 O ATOM 1516 CB GLU A 94 3.120 12.847 -8.408 1.00 0.00 C ATOM 1517 CG GLU A 94 2.820 14.330 -8.182 1.00 0.00 C ATOM 1518 CD GLU A 94 3.447 15.190 -9.281 1.00 0.00 C ATOM 1519 OE1 GLU A 94 2.889 15.178 -10.399 1.00 0.00 O ATOM 1520 OE2 GLU A 94 4.470 15.841 -8.977 1.00 0.00 O ATOM 0 HA GLU A 94 2.280 12.355 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.071 12.740 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.354 12.411 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.742 14.488 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.205 14.638 -7.210 1.00 0.00 H new ATOM 1527 N SER A 95 4.215 10.105 -7.964 1.00 0.00 N ATOM 1528 CA SER A 95 4.341 8.686 -8.254 1.00 0.00 C ATOM 1529 C SER A 95 4.047 7.867 -6.996 1.00 0.00 C ATOM 1530 O SER A 95 3.109 7.072 -6.974 1.00 0.00 O ATOM 1531 CB SER A 95 5.736 8.355 -8.789 1.00 0.00 C ATOM 1532 OG SER A 95 5.754 8.262 -10.211 1.00 0.00 O ATOM 0 H SER A 95 4.988 10.679 -8.301 1.00 0.00 H new ATOM 0 HA SER A 95 3.615 8.429 -9.025 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.439 9.123 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.075 7.412 -8.360 1.00 0.00 H new ATOM 0 HG SER A 95 6.662 8.051 -10.514 1.00 0.00 H new ATOM 1538 N PHE A 96 4.867 8.089 -5.979 1.00 0.00 N ATOM 1539 CA PHE A 96 4.706 7.380 -4.720 1.00 0.00 C ATOM 1540 C PHE A 96 3.234 7.321 -4.308 1.00 0.00 C ATOM 1541 O PHE A 96 2.707 6.246 -4.026 1.00 0.00 O ATOM 1542 CB PHE A 96 5.489 8.163 -3.664 1.00 0.00 C ATOM 1543 CG PHE A 96 5.644 7.427 -2.332 1.00 0.00 C ATOM 1544 CD1 PHE A 96 6.265 6.217 -2.292 1.00 0.00 C ATOM 1545 CD2 PHE A 96 5.161 7.981 -1.188 1.00 0.00 C ATOM 1546 CE1 PHE A 96 6.409 5.533 -1.056 1.00 0.00 C ATOM 1547 CE2 PHE A 96 5.305 7.297 0.048 1.00 0.00 C ATOM 1548 CZ PHE A 96 5.926 6.088 0.088 1.00 0.00 C ATOM 0 H PHE A 96 5.644 8.749 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 96 5.068 6.357 -4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.479 8.394 -4.057 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.987 9.114 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.648 5.777 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.668 8.941 -1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.902 4.573 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.921 7.737 0.957 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.036 5.568 1.028 1.00 0.00 H new ATOM 1558 N ILE A 97 2.611 8.491 -4.287 1.00 0.00 N ATOM 1559 CA ILE A 97 1.210 8.586 -3.914 1.00 0.00 C ATOM 1560 C ILE A 97 0.382 7.674 -4.822 1.00 0.00 C ATOM 1561 O ILE A 97 -0.601 7.081 -4.382 1.00 0.00 O ATOM 1562 CB ILE A 97 0.751 10.045 -3.925 1.00 0.00 C ATOM 1563 CG1 ILE A 97 1.352 10.818 -2.749 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -0.776 10.139 -3.951 1.00 0.00 C ATOM 1565 CD1 ILE A 97 1.039 12.311 -2.856 1.00 0.00 C ATOM 0 H ILE A 97 3.051 9.381 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 97 1.063 8.237 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 97 1.119 10.512 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.956 10.426 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.432 10.670 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.076 11.187 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.156 9.647 -4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.186 9.651 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.478 12.836 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.457 12.705 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.041 12.457 -2.854 1.00 0.00 H new ATOM 1577 N GLU A 98 0.811 7.591 -6.073 1.00 0.00 N ATOM 1578 CA GLU A 98 0.121 6.762 -7.047 1.00 0.00 C ATOM 1579 C GLU A 98 0.413 5.283 -6.786 1.00 0.00 C ATOM 1580 O GLU A 98 -0.506 4.491 -6.587 1.00 0.00 O ATOM 1581 CB GLU A 98 0.510 7.154 -8.474 1.00 0.00 C ATOM 1582 CG GLU A 98 0.240 6.007 -9.450 1.00 0.00 C ATOM 1583 CD GLU A 98 0.465 6.454 -10.896 1.00 0.00 C ATOM 1584 OE1 GLU A 98 1.650 6.593 -11.269 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -0.553 6.646 -11.596 1.00 0.00 O ATOM 0 H GLU A 98 1.628 8.084 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.951 6.925 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.053 8.036 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.566 7.423 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.895 5.167 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.785 5.655 -9.329 1.00 0.00 H new ATOM 1592 N GLU A 99 1.697 4.955 -6.795 1.00 0.00 N ATOM 1593 CA GLU A 99 2.122 3.585 -6.562 1.00 0.00 C ATOM 1594 C GLU A 99 1.351 2.984 -5.386 1.00 0.00 C ATOM 1595 O GLU A 99 0.829 1.874 -5.484 1.00 0.00 O ATOM 1596 CB GLU A 99 3.631 3.513 -6.323 1.00 0.00 C ATOM 1597 CG GLU A 99 4.283 2.476 -7.240 1.00 0.00 C ATOM 1598 CD GLU A 99 5.125 1.484 -6.436 1.00 0.00 C ATOM 1599 OE1 GLU A 99 5.916 1.963 -5.595 1.00 0.00 O ATOM 1600 OE2 GLU A 99 4.959 0.269 -6.680 1.00 0.00 O ATOM 0 H GLU A 99 2.457 5.615 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 99 1.900 2.999 -7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.078 4.491 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.826 3.257 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.512 1.939 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.911 2.979 -7.975 1.00 0.00 H new ATOM 1607 N ARG A 100 1.302 3.743 -4.301 1.00 0.00 N ATOM 1608 CA ARG A 100 0.603 3.298 -3.107 1.00 0.00 C ATOM 1609 C ARG A 100 -0.898 3.190 -3.380 1.00 0.00 C ATOM 1610 O ARG A 100 -1.513 2.164 -3.093 1.00 0.00 O ATOM 1611 CB ARG A 100 0.835 4.262 -1.942 1.00 0.00 C ATOM 1612 CG ARG A 100 0.357 3.652 -0.623 1.00 0.00 C ATOM 1613 CD ARG A 100 1.538 3.133 0.200 1.00 0.00 C ATOM 1614 NE ARG A 100 2.277 4.267 0.798 1.00 0.00 N ATOM 1615 CZ ARG A 100 3.289 4.131 1.666 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.689 2.909 2.042 1.00 0.00 N ATOM 1617 NH2 ARG A 100 3.900 5.217 2.158 1.00 0.00 N ATOM 0 H ARG A 100 1.735 4.663 -4.224 1.00 0.00 H new ATOM 0 HA ARG A 100 0.998 2.318 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.895 4.505 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.306 5.197 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.190 4.400 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.336 2.836 -0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.180 2.467 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.204 2.548 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 100 1.999 5.212 0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.223 2.082 1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.459 2.805 2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.595 6.147 1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.670 5.113 2.819 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.445 4.263 -3.932 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.863 4.303 -4.248 1.00 0.00 C ATOM 1633 C ARG A 101 -3.258 3.075 -5.072 1.00 0.00 C ATOM 1634 O ARG A 101 -3.980 2.204 -4.588 1.00 0.00 O ATOM 1635 CB ARG A 101 -3.219 5.569 -5.029 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.635 5.479 -5.603 1.00 0.00 C ATOM 1637 CD ARG A 101 -5.011 6.768 -6.338 1.00 0.00 C ATOM 1638 NE ARG A 101 -5.511 6.450 -7.694 1.00 0.00 N ATOM 1639 CZ ARG A 101 -5.687 7.359 -8.662 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -5.405 8.648 -8.430 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -6.146 6.980 -9.862 1.00 0.00 N ATOM 0 H ARG A 101 -0.932 5.112 -4.169 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.412 4.305 -3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.142 6.438 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.503 5.715 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.701 4.633 -6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.347 5.294 -4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.775 7.307 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.143 7.424 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.736 5.478 -7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.056 8.937 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.539 9.340 -9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.362 5.999 -10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.280 7.673 -10.599 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.767 3.045 -6.302 1.00 0.00 N ATOM 1656 CA GLN A 102 -3.059 1.939 -7.198 1.00 0.00 C ATOM 1657 C GLN A 102 -2.680 0.610 -6.541 1.00 0.00 C ATOM 1658 O GLN A 102 -3.390 -0.384 -6.689 1.00 0.00 O ATOM 1659 CB GLN A 102 -2.341 2.114 -8.537 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.865 3.342 -9.284 1.00 0.00 C ATOM 1661 CD GLN A 102 -2.423 3.323 -10.749 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -2.347 2.286 -11.388 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -2.138 4.524 -11.244 1.00 0.00 N ATOM 0 H GLN A 102 -2.169 3.769 -6.699 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.131 1.931 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.269 2.217 -8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.483 1.223 -9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.953 3.368 -9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.499 4.249 -8.802 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.223 5.352 -10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.835 4.617 -12.213 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.562 0.635 -5.831 1.00 0.00 N ATOM 1673 CA GLY A 103 -1.080 -0.555 -5.152 1.00 0.00 C ATOM 1674 C GLY A 103 -2.173 -1.166 -4.274 1.00 0.00 C ATOM 1675 O GLY A 103 -2.594 -2.300 -4.499 1.00 0.00 O ATOM 0 H GLY A 103 -0.976 1.461 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.747 -1.288 -5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.215 -0.303 -4.539 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.602 -0.388 -3.291 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.639 -0.838 -2.378 1.00 0.00 C ATOM 1681 C LEU A 104 -4.839 -1.341 -3.184 1.00 0.00 C ATOM 1682 O LEU A 104 -5.359 -2.423 -2.918 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.989 0.266 -1.379 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.878 0.666 -0.405 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -3.193 2.005 0.266 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.620 -0.441 0.618 1.00 0.00 C ATOM 0 H LEU A 104 -2.250 0.552 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.282 -1.676 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.292 1.152 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.854 -0.056 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.957 0.799 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.388 2.266 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.286 2.780 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.129 1.924 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.826 -0.131 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.531 -0.631 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.319 -1.352 0.100 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.242 -0.531 -4.152 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.371 -0.881 -4.998 1.00 0.00 C ATOM 1700 C GLU A 105 -6.186 -2.285 -5.576 1.00 0.00 C ATOM 1701 O GLU A 105 -7.048 -3.147 -5.409 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.561 0.150 -6.112 1.00 0.00 C ATOM 1703 CG GLU A 105 -8.025 0.218 -6.552 1.00 0.00 C ATOM 1704 CD GLU A 105 -8.139 0.209 -8.078 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.248 0.807 -8.718 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -9.116 -0.397 -8.570 1.00 0.00 O ATOM 0 H GLU A 105 -4.808 0.366 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.273 -0.877 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.236 1.131 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.933 -0.110 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.573 -0.628 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.487 1.122 -6.154 1.00 0.00 H new ATOM 1713 N GLN A 106 -5.057 -2.472 -6.243 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.748 -3.757 -6.847 1.00 0.00 C ATOM 1715 C GLN A 106 -4.808 -4.866 -5.794 1.00 0.00 C ATOM 1716 O GLN A 106 -5.424 -5.907 -6.018 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.381 -3.726 -7.533 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.532 -3.564 -9.047 1.00 0.00 C ATOM 1719 CD GLN A 106 -2.604 -4.523 -9.796 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -1.543 -4.897 -9.323 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -3.061 -4.897 -10.988 1.00 0.00 N ATOM 0 H GLN A 106 -4.345 -1.755 -6.379 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.496 -3.967 -7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.788 -2.904 -7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.839 -4.646 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.566 -3.753 -9.335 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.305 -2.536 -9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.958 -4.546 -11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.514 -5.535 -11.567 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.161 -4.605 -4.668 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.132 -5.568 -3.580 1.00 0.00 C ATOM 1732 C PHE A 107 -5.549 -5.987 -3.182 1.00 0.00 C ATOM 1733 O PHE A 107 -5.890 -7.167 -3.238 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.463 -4.879 -2.390 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.790 -5.516 -1.038 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.879 -5.101 -0.336 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -2.992 -6.496 -0.537 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.183 -5.692 0.919 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.296 -7.087 0.718 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.385 -6.672 1.420 1.00 0.00 C ATOM 0 H PHE A 107 -3.652 -3.740 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.590 -6.462 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.383 -4.893 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.768 -3.833 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.513 -4.322 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.127 -6.825 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.048 -5.363 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.662 -7.866 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.615 -7.121 2.375 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.336 -4.996 -2.788 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.708 -5.246 -2.381 1.00 0.00 C ATOM 1752 C ILE A 108 -8.484 -5.844 -3.556 1.00 0.00 C ATOM 1753 O ILE A 108 -9.264 -6.778 -3.379 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.339 -3.974 -1.811 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.514 -4.309 -0.891 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.743 -3.014 -2.931 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.022 -4.724 0.497 1.00 0.00 C ATOM 0 H ILE A 108 -6.049 -4.018 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.738 -5.978 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.591 -3.464 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.171 -3.444 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.104 -5.115 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.189 -2.118 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.861 -2.738 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.467 -3.501 -3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.877 -4.957 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.385 -5.604 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.453 -3.907 0.941 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.241 -5.281 -4.731 1.00 0.00 N ATOM 1770 CA ASN A 109 -8.908 -5.747 -5.936 1.00 0.00 C ATOM 1771 C ASN A 109 -8.774 -7.268 -6.031 1.00 0.00 C ATOM 1772 O ASN A 109 -9.719 -7.954 -6.419 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.273 -5.137 -7.187 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.174 -4.057 -7.789 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.967 -4.301 -8.684 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -9.010 -2.853 -7.249 1.00 0.00 N ATOM 0 H ASN A 109 -7.592 -4.507 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.955 -5.448 -5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.304 -4.707 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.093 -5.918 -7.925 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.566 -2.065 -7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.328 -2.717 -6.502 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.595 -7.751 -5.670 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.326 -9.178 -5.711 1.00 0.00 C ATOM 1785 C LYS A 110 -7.803 -9.819 -4.407 1.00 0.00 C ATOM 1786 O LYS A 110 -8.376 -10.908 -4.419 1.00 0.00 O ATOM 1787 CB LYS A 110 -5.850 -9.437 -6.019 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.672 -9.970 -7.442 1.00 0.00 C ATOM 1789 CD LYS A 110 -4.867 -11.271 -7.443 1.00 0.00 C ATOM 1790 CE LYS A 110 -4.262 -11.540 -8.823 1.00 0.00 C ATOM 1791 NZ LYS A 110 -4.739 -12.836 -9.354 1.00 0.00 N ATOM 0 H LYS A 110 -6.814 -7.179 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.884 -9.648 -6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.282 -8.514 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.446 -10.155 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.649 -10.142 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.164 -9.224 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.073 -11.212 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.511 -12.102 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.534 -10.737 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.174 -11.546 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.319 -13.003 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.458 -13.601 -8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.775 -12.817 -9.438 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.551 -9.117 -3.312 1.00 0.00 N ATOM 1806 CA ILE A 111 -7.948 -9.605 -2.002 1.00 0.00 C ATOM 1807 C ILE A 111 -9.455 -9.868 -1.996 1.00 0.00 C ATOM 1808 O ILE A 111 -9.902 -10.926 -1.554 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.488 -8.638 -0.909 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.708 -9.375 0.182 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.671 -7.854 -0.337 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.630 -9.792 1.329 1.00 0.00 C ATOM 0 H ILE A 111 -7.077 -8.214 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.458 -10.554 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.808 -7.914 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.228 -10.257 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.915 -8.732 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.316 -7.174 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.147 -7.281 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.394 -8.548 0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.050 -10.314 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.090 -8.906 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.408 -10.454 0.948 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.197 -8.888 -2.491 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.644 -9.001 -2.548 1.00 0.00 C ATOM 1826 C ALA A 112 -12.023 -10.230 -3.377 1.00 0.00 C ATOM 1827 O ALA A 112 -12.866 -11.026 -2.964 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.235 -7.710 -3.117 1.00 0.00 C ATOM 0 H ALA A 112 -9.823 -8.012 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.058 -9.137 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.321 -7.795 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -11.961 -6.871 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.844 -7.542 -4.121 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.383 -10.347 -4.531 1.00 0.00 N ATOM 1835 CA GLY A 113 -11.642 -11.465 -5.421 1.00 0.00 C ATOM 1836 C GLY A 113 -11.611 -12.792 -4.659 1.00 0.00 C ATOM 1837 O GLY A 113 -12.372 -13.707 -4.967 1.00 0.00 O ATOM 0 H GLY A 113 -10.685 -9.685 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.614 -11.338 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.897 -11.481 -6.217 1.00 0.00 H new ATOM 1841 N HIS A 114 -10.722 -12.853 -3.678 1.00 0.00 N ATOM 1842 CA HIS A 114 -10.581 -14.052 -2.869 1.00 0.00 C ATOM 1843 C HIS A 114 -11.934 -14.420 -2.258 1.00 0.00 C ATOM 1844 O HIS A 114 -12.652 -13.554 -1.760 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.485 -13.872 -1.817 1.00 0.00 C ATOM 1846 CG HIS A 114 -8.745 -15.143 -1.478 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.186 -16.034 -0.515 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -7.590 -15.665 -1.984 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.328 -17.041 -0.452 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.339 -16.810 -1.362 1.00 0.00 N ATOM 0 H HIS A 114 -10.092 -12.091 -3.425 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.266 -14.885 -3.498 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -8.770 -13.132 -2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.931 -13.470 -0.907 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -6.983 -15.221 -2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.399 -17.895 0.205 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.538 -17.417 -1.536 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.251 -15.741 -2.318 1.00 0.00 N ATOM 1859 CA PRO A 115 -13.506 -16.235 -1.776 1.00 0.00 C ATOM 1860 C PRO A 115 -13.464 -16.279 -0.247 1.00 0.00 C ATOM 1861 O PRO A 115 -14.399 -15.833 0.416 1.00 0.00 O ATOM 1862 CB PRO A 115 -13.693 -17.607 -2.404 1.00 0.00 C ATOM 1863 CG PRO A 115 -12.321 -18.025 -2.907 1.00 0.00 C ATOM 1864 CD PRO A 115 -11.427 -16.796 -2.900 1.00 0.00 C ATOM 0 HA PRO A 115 -14.349 -15.586 -2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.076 -18.321 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.413 -17.568 -3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.903 -18.805 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.393 -18.439 -3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.526 -16.965 -2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.104 -16.536 -3.908 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.370 -16.821 0.268 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.193 -16.928 1.706 1.00 0.00 C ATOM 1874 C LEU A 116 -12.307 -15.538 2.335 1.00 0.00 C ATOM 1875 O LEU A 116 -12.853 -15.390 3.427 1.00 0.00 O ATOM 1876 CB LEU A 116 -10.882 -17.645 2.033 1.00 0.00 C ATOM 1877 CG LEU A 116 -10.631 -18.957 1.286 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -9.591 -19.811 2.014 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -11.939 -19.718 1.059 1.00 0.00 C ATOM 0 H LEU A 116 -11.597 -17.191 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.982 -17.541 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.057 -16.965 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.860 -17.849 3.103 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.223 -18.718 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.431 -20.738 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.652 -19.262 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.948 -20.043 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.732 -20.646 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.399 -19.946 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.619 -19.104 0.468 1.00 0.00 H new ATOM 1891 N ALA A 117 -11.783 -14.555 1.618 1.00 0.00 N ATOM 1892 CA ALA A 117 -11.819 -13.182 2.092 1.00 0.00 C ATOM 1893 C ALA A 117 -13.260 -12.668 2.044 1.00 0.00 C ATOM 1894 O ALA A 117 -13.728 -12.035 2.989 1.00 0.00 O ATOM 1895 CB ALA A 117 -10.867 -12.327 1.254 1.00 0.00 C ATOM 0 H ALA A 117 -11.331 -14.682 0.712 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.483 -13.125 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -10.894 -11.297 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.853 -12.716 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.175 -12.358 0.209 1.00 0.00 H new ATOM 1901 N GLN A 118 -13.921 -12.959 0.934 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.299 -12.535 0.750 1.00 0.00 C ATOM 1903 C GLN A 118 -16.154 -12.980 1.938 1.00 0.00 C ATOM 1904 O GLN A 118 -17.194 -12.384 2.217 1.00 0.00 O ATOM 1905 CB GLN A 118 -15.867 -13.069 -0.566 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.419 -12.205 -1.747 1.00 0.00 C ATOM 1907 CD GLN A 118 -15.885 -12.808 -3.074 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -16.827 -13.580 -3.138 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.174 -12.413 -4.127 1.00 0.00 N ATOM 0 H GLN A 118 -13.528 -13.483 0.152 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.320 -11.446 0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.538 -14.097 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -16.956 -13.087 -0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -15.822 -11.198 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.333 -12.115 -1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.397 -11.764 -4.003 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.406 -12.759 -5.058 1.00 0.00 H new ATOM 1918 N ASN A 119 -15.686 -14.025 2.605 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.395 -14.558 3.756 1.00 0.00 C ATOM 1920 C ASN A 119 -15.860 -13.899 5.029 1.00 0.00 C ATOM 1921 O ASN A 119 -16.601 -13.712 5.993 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.186 -16.068 3.881 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.414 -16.835 3.385 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -18.523 -16.328 3.353 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -17.154 -18.082 3.003 1.00 0.00 N ATOM 0 H ASN A 119 -14.824 -14.517 2.370 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.457 -14.351 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.310 -16.366 3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.987 -16.326 4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -17.907 -18.677 2.657 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -16.202 -18.444 3.056 1.00 0.00 H new ATOM 1932 N GLU A 120 -14.579 -13.565 4.990 1.00 0.00 N ATOM 1933 CA GLU A 120 -13.936 -12.931 6.129 1.00 0.00 C ATOM 1934 C GLU A 120 -14.710 -11.678 6.545 1.00 0.00 C ATOM 1935 O GLU A 120 -15.183 -10.925 5.695 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.476 -12.596 5.818 1.00 0.00 C ATOM 1937 CG GLU A 120 -11.581 -13.823 6.003 1.00 0.00 C ATOM 1938 CD GLU A 120 -11.480 -14.211 7.479 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.079 -13.331 8.271 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -11.805 -15.379 7.783 1.00 0.00 O ATOM 0 H GLU A 120 -13.969 -13.721 4.188 1.00 0.00 H new ATOM 0 HA GLU A 120 -13.943 -13.633 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.393 -12.232 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.137 -11.792 6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -11.982 -14.659 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -10.586 -13.614 5.609 1.00 0.00 H new ATOM 1947 N ARG A 121 -14.814 -11.493 7.853 1.00 0.00 N ATOM 1948 CA ARG A 121 -15.522 -10.344 8.392 1.00 0.00 C ATOM 1949 C ARG A 121 -14.596 -9.127 8.444 1.00 0.00 C ATOM 1950 O ARG A 121 -14.964 -8.043 7.993 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.052 -10.633 9.797 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.582 -10.638 9.816 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.130 -9.244 10.130 1.00 0.00 C ATOM 1954 NE ARG A 121 -19.565 -9.333 10.484 1.00 0.00 N ATOM 1955 CZ ARG A 121 -20.303 -8.292 10.891 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -19.748 -7.077 10.999 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -21.598 -8.465 11.191 1.00 0.00 N ATOM 0 H ARG A 121 -14.420 -12.119 8.555 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.366 -10.136 7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -15.677 -11.598 10.139 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -15.679 -9.881 10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.960 -10.973 8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.938 -11.349 10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -17.570 -8.801 10.954 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -17.999 -8.590 9.268 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.020 -10.243 10.414 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -18.763 -6.944 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -20.311 -6.285 11.309 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.021 -9.389 11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.160 -7.672 11.501 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.413 -9.346 8.997 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.432 -8.281 9.114 1.00 0.00 C ATOM 1973 C CYS A 122 -12.394 -7.515 7.790 1.00 0.00 C ATOM 1974 O CYS A 122 -12.176 -6.305 7.774 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.053 -8.821 9.500 1.00 0.00 C ATOM 1976 SG CYS A 122 -10.501 -10.061 8.273 1.00 0.00 S ATOM 0 H CYS A 122 -13.111 -10.246 9.369 1.00 0.00 H new ATOM 0 HA CYS A 122 -12.722 -7.603 9.917 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.334 -8.003 9.551 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -11.094 -9.272 10.492 1.00 0.00 H new ATOM 0 HG CYS A 122 -10.909 -11.241 8.635 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.611 -8.253 6.710 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.604 -7.658 5.384 1.00 0.00 C ATOM 1984 C LEU A 123 -13.834 -6.761 5.227 1.00 0.00 C ATOM 1985 O LEU A 123 -13.712 -5.597 4.850 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.493 -8.743 4.311 1.00 0.00 C ATOM 1987 CG LEU A 123 -12.737 -8.289 2.871 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.444 -7.785 2.228 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.390 -9.402 2.049 1.00 0.00 C ATOM 0 H LEU A 123 -12.793 -9.257 6.727 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.727 -7.024 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.497 -9.183 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.205 -9.534 4.547 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.434 -7.451 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.646 -7.469 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.058 -6.941 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.705 -8.586 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.553 -9.053 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.737 -10.275 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.346 -9.672 2.497 1.00 0.00 H new ATOM 2001 N HIS A 124 -14.989 -7.337 5.523 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.240 -6.604 5.419 1.00 0.00 C ATOM 2003 C HIS A 124 -16.164 -5.336 6.272 1.00 0.00 C ATOM 2004 O HIS A 124 -16.810 -4.337 5.963 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.425 -7.498 5.789 1.00 0.00 C ATOM 2006 CG HIS A 124 -17.785 -8.511 4.729 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -18.168 -8.153 3.449 1.00 0.00 N ATOM 2008 CD2 HIS A 124 -17.815 -9.874 4.773 1.00 0.00 C ATOM 2009 CE1 HIS A 124 -18.416 -9.258 2.762 1.00 0.00 C ATOM 2010 NE2 HIS A 124 -18.197 -10.324 3.584 1.00 0.00 N ATOM 0 H HIS A 124 -15.086 -8.303 5.835 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.401 -6.296 4.386 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.195 -8.023 6.716 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.293 -6.869 5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -17.570 -10.484 5.630 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -18.736 -9.306 1.732 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -18.308 -11.305 3.328 1.00 0.00 H new ATOM 2018 N MET A 125 -15.368 -5.419 7.328 1.00 0.00 N ATOM 2019 CA MET A 125 -15.199 -4.290 8.228 1.00 0.00 C ATOM 2020 C MET A 125 -14.356 -3.192 7.577 1.00 0.00 C ATOM 2021 O MET A 125 -14.544 -2.010 7.861 1.00 0.00 O ATOM 2022 CB MET A 125 -14.520 -4.761 9.515 1.00 0.00 C ATOM 2023 CG MET A 125 -15.355 -4.389 10.743 1.00 0.00 C ATOM 2024 SD MET A 125 -14.300 -3.726 12.021 1.00 0.00 S ATOM 2025 CE MET A 125 -13.657 -5.242 12.709 1.00 0.00 C ATOM 0 H MET A 125 -14.833 -6.250 7.581 1.00 0.00 H new ATOM 0 HA MET A 125 -16.183 -3.879 8.455 1.00 0.00 H new ATOM 0 HB2 MET A 125 -14.378 -5.841 9.481 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.530 -4.311 9.594 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.113 -3.655 10.469 1.00 0.00 H new ATOM 0 HG3 MET A 125 -15.882 -5.268 11.115 1.00 0.00 H new ATOM 0 HE1 MET A 125 -13.104 -5.021 13.622 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.482 -5.916 12.938 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.992 -5.716 11.987 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.444 -3.622 6.717 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.571 -2.690 6.024 1.00 0.00 C ATOM 2037 C PHE A 126 -13.351 -1.870 4.994 1.00 0.00 C ATOM 2038 O PHE A 126 -12.902 -0.805 4.575 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.512 -3.523 5.299 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.328 -2.707 4.777 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.331 -2.337 5.626 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.271 -2.353 3.466 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.232 -1.579 5.141 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.172 -1.595 2.982 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.176 -1.225 3.830 1.00 0.00 C ATOM 0 H PHE A 126 -13.291 -4.603 6.485 1.00 0.00 H new ATOM 0 HA PHE A 126 -12.125 -1.997 6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.140 -4.290 5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -11.981 -4.039 4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.375 -2.619 6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.062 -2.648 2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.441 -1.284 5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.127 -1.313 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.340 -0.649 3.462 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.505 -2.399 4.616 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.352 -1.730 3.643 1.00 0.00 C ATOM 2057 C LEU A 127 -16.672 -1.336 4.308 1.00 0.00 C ATOM 2058 O LEU A 127 -17.122 -1.996 5.243 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.527 -2.600 2.397 1.00 0.00 C ATOM 2060 CG LEU A 127 -14.247 -3.208 1.819 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.556 -4.473 1.015 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.476 -2.178 0.991 1.00 0.00 C ATOM 0 H LEU A 127 -14.874 -3.283 4.966 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.881 -0.810 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.214 -3.411 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.002 -1.999 1.622 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.604 -3.502 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.630 -4.885 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.031 -5.209 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.228 -4.227 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.571 -2.636 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -14.101 -1.832 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -13.206 -1.332 1.623 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.257 -0.261 3.799 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.517 0.229 4.331 1.00 0.00 C ATOM 2076 C GLN A 128 -18.282 0.977 5.645 1.00 0.00 C ATOM 2077 O GLN A 128 -18.694 2.127 5.791 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.513 -0.916 4.523 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.547 -1.825 3.292 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.465 -3.027 3.524 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.868 -3.329 4.635 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.772 -3.694 2.415 1.00 0.00 N ATOM 0 H GLN A 128 -16.881 0.284 3.023 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.948 0.925 3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.238 -1.499 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.508 -0.510 4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -19.894 -1.259 2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.539 -2.171 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.400 -3.387 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.379 -4.512 2.464 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.622 0.294 6.569 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.328 0.879 7.866 1.00 0.00 C ATOM 2093 C GLU A 129 -16.127 1.821 7.763 1.00 0.00 C ATOM 2094 O GLU A 129 -15.277 1.656 6.889 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.085 -0.207 8.915 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.391 -0.911 9.288 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.504 -1.090 10.804 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -17.445 -1.306 11.430 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -19.648 -1.006 11.301 1.00 0.00 O ATOM 0 H GLU A 129 -17.282 -0.660 6.445 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.194 1.459 8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.372 -0.936 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.639 0.236 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.238 -0.331 8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.436 -1.884 8.799 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.095 2.789 8.667 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.012 3.757 8.689 1.00 0.00 C ATOM 2108 C GLU A 130 -13.906 3.296 9.640 1.00 0.00 C ATOM 2109 O GLU A 130 -12.772 3.074 9.219 1.00 0.00 O ATOM 2110 CB GLU A 130 -15.526 5.145 9.078 1.00 0.00 C ATOM 2111 CG GLU A 130 -14.369 6.135 9.229 1.00 0.00 C ATOM 2112 CD GLU A 130 -13.931 6.679 7.867 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -14.823 6.836 7.006 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -12.715 6.925 7.719 1.00 0.00 O ATOM 0 H GLU A 130 -16.802 2.924 9.390 1.00 0.00 H new ATOM 0 HA GLU A 130 -14.594 3.828 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -16.221 5.505 8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -16.080 5.082 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -14.673 6.960 9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -13.527 5.644 9.716 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.275 3.164 10.906 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.329 2.732 11.921 1.00 0.00 C ATOM 2123 C ALA A 131 -13.527 1.241 12.196 1.00 0.00 C ATOM 2124 O ALA A 131 -14.647 0.794 12.440 1.00 0.00 O ATOM 2125 CB ALA A 131 -13.504 3.586 13.178 1.00 0.00 C ATOM 0 H ALA A 131 -15.217 3.349 11.252 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.305 2.869 11.574 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.795 3.262 13.940 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -13.323 4.633 12.935 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.520 3.472 13.557 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.423 0.510 12.147 1.00 0.00 N ATOM 2132 CA ILE A 132 -12.462 -0.922 12.388 1.00 0.00 C ATOM 2133 C ILE A 132 -12.407 -1.183 13.895 1.00 0.00 C ATOM 2134 O ILE A 132 -11.407 -0.882 14.545 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.355 -1.628 11.601 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -11.782 -1.870 10.152 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -10.928 -2.922 12.297 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.590 -2.297 9.293 1.00 0.00 C ATOM 0 H ILE A 132 -11.496 0.883 11.944 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.399 -1.344 12.025 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.483 -0.974 11.575 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.552 -2.640 10.120 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.223 -0.961 9.742 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.141 -3.404 11.718 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.555 -2.692 13.295 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -11.784 -3.593 12.375 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.921 -2.463 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.832 -1.514 9.308 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.167 -3.219 9.691 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.495 -1.740 14.406 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.584 -2.045 15.824 1.00 0.00 C ATOM 2152 C ASP A 133 -12.677 -3.235 16.143 1.00 0.00 C ATOM 2153 O ASP A 133 -13.149 -4.363 16.276 1.00 0.00 O ATOM 2154 CB ASP A 133 -15.014 -2.422 16.218 1.00 0.00 C ATOM 2155 CG ASP A 133 -16.072 -1.365 15.897 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -15.767 -0.172 16.110 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -17.164 -1.775 15.445 1.00 0.00 O ATOM 0 H ASP A 133 -14.322 -1.988 13.864 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.279 -1.158 16.379 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.282 -3.349 15.711 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.038 -2.626 17.289 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.389 -2.943 16.257 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.411 -3.974 16.558 1.00 0.00 C ATOM 2164 C ARG A 134 -10.986 -4.973 17.564 1.00 0.00 C ATOM 2165 O ARG A 134 -11.913 -4.649 18.306 1.00 0.00 O ATOM 2166 CB ARG A 134 -9.128 -3.367 17.128 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.346 -2.621 16.045 1.00 0.00 C ATOM 2168 CD ARG A 134 -8.002 -1.201 16.497 1.00 0.00 C ATOM 2169 NE ARG A 134 -7.652 -0.367 15.326 1.00 0.00 N ATOM 2170 CZ ARG A 134 -7.088 0.845 15.408 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -6.806 1.373 16.607 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -6.805 1.530 14.291 1.00 0.00 N ATOM 0 H ARG A 134 -11.001 -2.006 16.146 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.173 -4.487 15.626 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.375 -2.683 17.940 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.506 -4.155 17.553 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.430 -3.165 15.813 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.934 -2.582 15.128 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.849 -0.763 17.025 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.168 -1.226 17.198 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.853 -0.739 14.398 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -7.021 0.852 17.457 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.376 2.296 16.670 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.019 1.128 13.378 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -6.375 2.453 14.354 1.00 0.00 H new