USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 TYR OH : rot 28:sc= 2.12 USER MOD Set 1.2: A 74 SER OG : rot -102:sc= 1.19 USER MOD Set 1.3: A 87 HIS : no HD1:sc= 1.82 K(o=5.1,f=-13!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.121 X(o=-0.12,f=0.12) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 1.11 (180deg=1.09) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.4) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0468 F(o=-3.4!,f=-0.047) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-0.32) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -0.54 X(o=-0.54,f=-0.58) USER MOD Single : A 90 HIS : +bothHN:sc= -0.263! C(o=-0.26!,f=-11!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.114 F(o=-1.2,f=-0.11) USER MOD Single : A 101 HIS : no HE2:sc= 0.555 K(o=0.56,f=-6.9!) USER MOD Single : A 103 HIS : +bothHN:sc= 2.08 K(o=2.1,f=-10!) USER MOD Single : A 104 GLN : amide:sc= -0.0586 K(o=-0.059,f=-0.78) USER MOD Single : A 109 CYS SG : rot 24:sc= -2.13! USER MOD Single : A 110 SER OG : rot 180:sc= -1.22 USER MOD Single : A 116 GLN : amide:sc=-0.00427 X(o=-0.0043,f=-0.46) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -163:sc= -0.0818 (180deg=-0.501) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -18.559 -10.211 -3.637 1.00 0.00 N ATOM 79 CA LYS A 7 -18.212 -8.950 -4.271 1.00 0.00 C ATOM 80 C LYS A 7 -16.765 -8.595 -3.969 1.00 0.00 C ATOM 81 O LYS A 7 -16.191 -9.075 -2.988 1.00 0.00 O ATOM 82 CB LYS A 7 -19.146 -7.831 -3.803 1.00 0.00 C ATOM 83 CG LYS A 7 -20.572 -7.987 -4.309 1.00 0.00 C ATOM 84 CD LYS A 7 -21.445 -6.806 -3.916 1.00 0.00 C ATOM 85 CE LYS A 7 -22.815 -6.891 -4.574 1.00 0.00 C ATOM 86 NZ LYS A 7 -23.671 -5.724 -4.237 1.00 0.00 N ATOM 0 HA LYS A 7 -18.330 -9.061 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.155 -7.807 -2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.751 -6.873 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -20.563 -8.087 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.001 -8.905 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.560 -6.780 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.956 -5.876 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -22.694 -6.951 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.312 -7.808 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -24.594 -5.823 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -23.809 -5.681 -3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -23.210 -4.850 -4.562 1.00 0.00 H new ATOM 100 N MET A 8 -16.175 -7.759 -4.803 1.00 0.00 N ATOM 101 CA MET A 8 -14.778 -7.410 -4.653 1.00 0.00 C ATOM 102 C MET A 8 -14.612 -5.948 -4.271 1.00 0.00 C ATOM 103 O MET A 8 -15.336 -5.076 -4.744 1.00 0.00 O ATOM 104 CB MET A 8 -14.005 -7.714 -5.936 1.00 0.00 C ATOM 105 CG MET A 8 -13.874 -9.203 -6.227 1.00 0.00 C ATOM 106 SD MET A 8 -13.044 -9.542 -7.793 1.00 0.00 S ATOM 107 CE MET A 8 -13.074 -11.334 -7.800 1.00 0.00 C ATOM 0 H MET A 8 -16.643 -7.310 -5.590 1.00 0.00 H new ATOM 0 HA MET A 8 -14.370 -8.019 -3.846 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.505 -7.230 -6.775 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.009 -7.277 -5.863 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.320 -9.679 -5.418 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.866 -9.654 -6.242 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.596 -11.702 -8.708 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.537 -11.710 -6.929 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.107 -11.681 -7.767 1.00 0.00 H new ATOM 117 N ILE A 9 -13.651 -5.710 -3.401 1.00 0.00 N ATOM 118 CA ILE A 9 -13.315 -4.379 -2.934 1.00 0.00 C ATOM 119 C ILE A 9 -11.928 -4.024 -3.446 1.00 0.00 C ATOM 120 O ILE A 9 -10.976 -4.752 -3.200 1.00 0.00 O ATOM 121 CB ILE A 9 -13.324 -4.324 -1.391 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.716 -4.662 -0.852 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.856 -2.970 -0.865 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.835 -4.506 0.649 1.00 0.00 C ATOM 0 H ILE A 9 -13.074 -6.445 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.053 -3.669 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.616 -5.072 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.451 -4.018 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.963 -5.688 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.878 -2.976 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.839 -2.779 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.517 -2.187 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.847 -4.762 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.124 -5.170 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.619 -3.474 0.926 1.00 0.00 H new ATOM 136 N GLU A 10 -11.805 -2.918 -4.147 1.00 0.00 N ATOM 137 CA GLU A 10 -10.532 -2.556 -4.750 1.00 0.00 C ATOM 138 C GLU A 10 -9.809 -1.553 -3.867 1.00 0.00 C ATOM 139 O GLU A 10 -10.363 -0.510 -3.515 1.00 0.00 O ATOM 140 CB GLU A 10 -10.748 -1.978 -6.152 1.00 0.00 C ATOM 141 CG GLU A 10 -11.236 -3.001 -7.170 1.00 0.00 C ATOM 142 CD GLU A 10 -10.133 -3.918 -7.656 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.144 -3.410 -8.228 1.00 0.00 O ATOM 144 OE2 GLU A 10 -10.250 -5.146 -7.492 1.00 0.00 O ATOM 0 H GLU A 10 -12.562 -2.255 -4.315 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.918 -3.452 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.472 -1.165 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.812 -1.546 -6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.030 -3.600 -6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.671 -2.479 -8.023 1.00 0.00 H new ATOM 151 N VAL A 11 -8.582 -1.877 -3.490 1.00 0.00 N ATOM 152 CA VAL A 11 -7.790 -1.007 -2.642 1.00 0.00 C ATOM 153 C VAL A 11 -6.399 -0.844 -3.233 1.00 0.00 C ATOM 154 O VAL A 11 -5.799 -1.808 -3.707 1.00 0.00 O ATOM 155 CB VAL A 11 -7.675 -1.563 -1.203 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.791 -0.675 -0.337 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.050 -1.712 -0.567 1.00 0.00 C ATOM 0 H VAL A 11 -8.113 -2.741 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.293 -0.041 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.212 -2.548 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.730 -1.092 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.792 -0.623 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.218 0.327 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.943 -2.105 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.540 -0.739 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.653 -2.399 -1.161 1.00 0.00 H new ATOM 167 N VAL A 12 -5.898 0.371 -3.226 1.00 0.00 N ATOM 168 CA VAL A 12 -4.560 0.638 -3.716 1.00 0.00 C ATOM 169 C VAL A 12 -3.635 1.000 -2.566 1.00 0.00 C ATOM 170 O VAL A 12 -4.021 1.722 -1.645 1.00 0.00 O ATOM 171 CB VAL A 12 -4.542 1.755 -4.781 1.00 0.00 C ATOM 172 CG1 VAL A 12 -4.988 1.215 -6.131 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.423 2.921 -4.354 1.00 0.00 C ATOM 0 H VAL A 12 -6.397 1.193 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.204 -0.276 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.519 2.117 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.969 2.018 -6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.314 0.418 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.001 0.822 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.396 3.697 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.448 2.574 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.057 3.328 -3.411 1.00 0.00 H new ATOM 183 N ALA A 13 -2.425 0.475 -2.619 1.00 0.00 N ATOM 184 CA ALA A 13 -1.426 0.729 -1.601 1.00 0.00 C ATOM 185 C ALA A 13 -0.224 1.413 -2.230 1.00 0.00 C ATOM 186 O ALA A 13 0.288 0.968 -3.260 1.00 0.00 O ATOM 187 CB ALA A 13 -1.006 -0.573 -0.927 1.00 0.00 C ATOM 0 H ALA A 13 -2.108 -0.139 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.852 1.382 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.255 -0.363 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.875 -1.038 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.587 -1.250 -1.672 1.00 0.00 H new ATOM 193 N ALA A 14 0.221 2.492 -1.620 1.00 0.00 N ATOM 194 CA ALA A 14 1.338 3.249 -2.141 1.00 0.00 C ATOM 195 C ALA A 14 2.589 2.940 -1.349 1.00 0.00 C ATOM 196 O ALA A 14 2.680 3.247 -0.160 1.00 0.00 O ATOM 197 CB ALA A 14 1.049 4.739 -2.098 1.00 0.00 C ATOM 0 H ALA A 14 -0.177 2.865 -0.758 1.00 0.00 H new ATOM 0 HA ALA A 14 1.492 2.960 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.904 5.287 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.167 4.956 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.869 5.045 -1.068 1.00 0.00 H new ATOM 203 N ILE A 15 3.553 2.332 -2.009 1.00 0.00 N ATOM 204 CA ILE A 15 4.806 2.012 -1.376 1.00 0.00 C ATOM 205 C ILE A 15 5.769 3.167 -1.582 1.00 0.00 C ATOM 206 O ILE A 15 6.348 3.325 -2.662 1.00 0.00 O ATOM 207 CB ILE A 15 5.391 0.696 -1.936 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.488 -0.474 -1.522 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.825 0.482 -1.464 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.134 -1.829 -1.672 1.00 0.00 C ATOM 0 H ILE A 15 3.488 2.051 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 15 4.643 1.862 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 15 5.422 0.755 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.188 -0.339 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.578 -0.448 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.208 -0.452 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.447 1.310 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.846 0.435 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.433 -2.603 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.409 -1.988 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.028 -1.877 -1.050 1.00 0.00 H new ATOM 222 N ILE A 16 5.901 4.004 -0.563 1.00 0.00 N ATOM 223 CA ILE A 16 6.771 5.159 -0.635 1.00 0.00 C ATOM 224 C ILE A 16 8.194 4.713 -0.366 1.00 0.00 C ATOM 225 O ILE A 16 8.556 4.460 0.780 1.00 0.00 O ATOM 226 CB ILE A 16 6.389 6.218 0.424 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.864 6.326 0.578 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.990 7.573 0.070 1.00 0.00 C ATOM 229 CD1 ILE A 16 4.187 7.199 -0.453 1.00 0.00 C ATOM 0 H ILE A 16 5.412 3.900 0.326 1.00 0.00 H new ATOM 0 HA ILE A 16 6.672 5.601 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 16 6.800 5.897 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.435 5.325 0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.639 6.717 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.709 8.305 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.076 7.490 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.615 7.895 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.113 7.216 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.583 8.212 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.376 6.799 -1.449 1.00 0.00 H new ATOM 241 N GLU A 17 8.989 4.581 -1.406 1.00 0.00 N ATOM 242 CA GLU A 17 10.342 4.106 -1.235 1.00 0.00 C ATOM 243 C GLU A 17 11.327 5.221 -1.512 1.00 0.00 C ATOM 244 O GLU A 17 11.367 5.776 -2.613 1.00 0.00 O ATOM 245 CB GLU A 17 10.626 2.922 -2.152 1.00 0.00 C ATOM 246 CG GLU A 17 12.011 2.332 -1.951 1.00 0.00 C ATOM 247 CD GLU A 17 12.355 1.304 -2.999 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.616 1.703 -4.151 1.00 0.00 O ATOM 249 OE2 GLU A 17 12.358 0.103 -2.683 1.00 0.00 O ATOM 0 H GLU A 17 8.725 4.794 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 17 10.456 3.776 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.879 2.148 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.520 3.240 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.751 3.132 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.068 1.874 -0.964 1.00 0.00 H new ATOM 256 N ARG A 18 12.108 5.557 -0.507 1.00 0.00 N ATOM 257 CA ARG A 18 13.128 6.572 -0.652 1.00 0.00 C ATOM 258 C ARG A 18 14.404 6.110 0.031 1.00 0.00 C ATOM 259 O ARG A 18 14.380 5.718 1.199 1.00 0.00 O ATOM 260 CB ARG A 18 12.651 7.901 -0.063 1.00 0.00 C ATOM 261 CG ARG A 18 13.175 9.122 -0.806 1.00 0.00 C ATOM 262 CD ARG A 18 12.703 9.128 -2.254 1.00 0.00 C ATOM 263 NE ARG A 18 13.045 10.369 -2.953 1.00 0.00 N ATOM 264 CZ ARG A 18 12.411 10.810 -4.042 1.00 0.00 C ATOM 265 NH1 ARG A 18 11.439 10.086 -4.584 1.00 0.00 N ATOM 266 NH2 ARG A 18 12.751 11.969 -4.594 1.00 0.00 N ATOM 0 H ARG A 18 12.055 5.140 0.422 1.00 0.00 H new ATOM 0 HA ARG A 18 13.329 6.728 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.561 7.922 -0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.963 7.959 0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.835 10.029 -0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.265 9.130 -0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.148 8.284 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.623 8.986 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 18 13.814 10.930 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.176 9.192 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.955 10.423 -5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.500 12.528 -4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.263 12.300 -5.426 1.00 0.00 H new ATOM 280 N ASP A 19 15.497 6.108 -0.728 1.00 0.00 N ATOM 281 CA ASP A 19 16.826 5.728 -0.230 1.00 0.00 C ATOM 282 C ASP A 19 16.932 4.230 0.014 1.00 0.00 C ATOM 283 O ASP A 19 17.932 3.757 0.553 1.00 0.00 O ATOM 284 CB ASP A 19 17.190 6.464 1.066 1.00 0.00 C ATOM 285 CG ASP A 19 17.271 7.966 0.892 1.00 0.00 C ATOM 286 OD1 ASP A 19 18.089 8.427 0.069 1.00 0.00 O ATOM 287 OD2 ASP A 19 16.519 8.694 1.574 1.00 0.00 O ATOM 0 H ASP A 19 15.490 6.371 -1.713 1.00 0.00 H new ATOM 0 HA ASP A 19 17.528 6.017 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.448 6.232 1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.148 6.094 1.430 1.00 0.00 H new ATOM 292 N GLY A 20 15.922 3.475 -0.385 1.00 0.00 N ATOM 293 CA GLY A 20 15.929 2.057 -0.122 1.00 0.00 C ATOM 294 C GLY A 20 15.081 1.712 1.080 1.00 0.00 C ATOM 295 O GLY A 20 15.129 0.590 1.582 1.00 0.00 O ATOM 0 H GLY A 20 15.102 3.819 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.558 1.522 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.953 1.722 0.046 1.00 0.00 H new ATOM 299 N LYS A 21 14.312 2.688 1.553 1.00 0.00 N ATOM 300 CA LYS A 21 13.437 2.483 2.696 1.00 0.00 C ATOM 301 C LYS A 21 11.991 2.772 2.318 1.00 0.00 C ATOM 302 O LYS A 21 11.715 3.668 1.521 1.00 0.00 O ATOM 303 CB LYS A 21 13.854 3.368 3.871 1.00 0.00 C ATOM 304 CG LYS A 21 15.312 3.216 4.257 1.00 0.00 C ATOM 305 CD LYS A 21 15.483 3.240 5.767 1.00 0.00 C ATOM 306 CE LYS A 21 16.493 2.205 6.232 1.00 0.00 C ATOM 307 NZ LYS A 21 16.770 2.312 7.690 1.00 0.00 N ATOM 0 H LYS A 21 14.279 3.629 1.160 1.00 0.00 H new ATOM 0 HA LYS A 21 13.523 1.440 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.661 4.410 3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.232 3.130 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.701 2.279 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.896 4.020 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.807 4.232 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.522 3.052 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.119 1.206 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.422 2.330 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.464 1.588 7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.151 3.256 7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.888 2.167 8.222 1.00 0.00 H new ATOM 321 N ILE A 22 11.079 2.009 2.899 1.00 0.00 N ATOM 322 CA ILE A 22 9.663 2.123 2.596 1.00 0.00 C ATOM 323 C ILE A 22 8.932 2.834 3.735 1.00 0.00 C ATOM 324 O ILE A 22 9.347 2.755 4.892 1.00 0.00 O ATOM 325 CB ILE A 22 9.044 0.725 2.371 1.00 0.00 C ATOM 326 CG1 ILE A 22 9.916 -0.083 1.408 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.622 0.840 1.837 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.416 -1.488 1.178 1.00 0.00 C ATOM 0 H ILE A 22 11.300 1.295 3.593 1.00 0.00 H new ATOM 0 HA ILE A 22 9.554 2.708 1.683 1.00 0.00 H new ATOM 0 HB ILE A 22 9.002 0.206 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.966 0.438 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.932 -0.127 1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.208 -0.157 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.007 1.384 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.632 1.375 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.082 -2.002 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.393 -2.026 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.411 -1.452 0.756 1.00 0.00 H new ATOM 340 N LEU A 23 7.859 3.537 3.394 1.00 0.00 N ATOM 341 CA LEU A 23 7.078 4.284 4.370 1.00 0.00 C ATOM 342 C LEU A 23 5.964 3.423 4.963 1.00 0.00 C ATOM 343 O LEU A 23 5.115 2.894 4.245 1.00 0.00 O ATOM 344 CB LEU A 23 6.480 5.527 3.710 1.00 0.00 C ATOM 345 CG LEU A 23 5.769 6.502 4.650 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.767 7.135 5.608 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.034 7.566 3.845 1.00 0.00 C ATOM 0 H LEU A 23 7.508 3.605 2.439 1.00 0.00 H new ATOM 0 HA LEU A 23 7.742 4.584 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.279 6.063 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.771 5.205 2.947 1.00 0.00 H new ATOM 0 HG LEU A 23 5.035 5.953 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.247 7.826 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.247 6.356 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.523 7.677 5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.532 8.254 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.748 8.117 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.296 7.089 3.200 1.00 0.00 H new ATOM 359 N LEU A 24 5.987 3.293 6.279 1.00 0.00 N ATOM 360 CA LEU A 24 4.961 2.554 7.001 1.00 0.00 C ATOM 361 C LEU A 24 4.214 3.488 7.938 1.00 0.00 C ATOM 362 O LEU A 24 4.820 4.347 8.583 1.00 0.00 O ATOM 363 CB LEU A 24 5.551 1.384 7.803 1.00 0.00 C ATOM 364 CG LEU A 24 6.166 0.238 6.987 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.471 0.657 6.335 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.387 -0.975 7.873 1.00 0.00 C ATOM 0 H LEU A 24 6.712 3.693 6.875 1.00 0.00 H new ATOM 0 HA LEU A 24 4.275 2.140 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.318 1.779 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.764 0.970 8.433 1.00 0.00 H new ATOM 0 HG LEU A 24 5.465 -0.021 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.878 -0.179 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.290 1.498 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.184 0.953 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.823 -1.781 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.063 -0.713 8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.433 -1.303 8.286 1.00 0.00 H new ATOM 378 N ALA A 25 2.901 3.330 7.999 1.00 0.00 N ATOM 379 CA ALA A 25 2.077 4.171 8.855 1.00 0.00 C ATOM 380 C ALA A 25 1.319 3.343 9.890 1.00 0.00 C ATOM 381 O ALA A 25 0.542 2.454 9.545 1.00 0.00 O ATOM 382 CB ALA A 25 1.120 5.002 8.018 1.00 0.00 C ATOM 0 H ALA A 25 2.384 2.629 7.468 1.00 0.00 H new ATOM 0 HA ALA A 25 2.738 4.846 9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.511 5.625 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.688 5.637 7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.473 4.341 7.441 1.00 0.00 H new ATOM 388 N GLN A 26 1.559 3.654 11.159 1.00 0.00 N ATOM 389 CA GLN A 26 0.946 2.932 12.272 1.00 0.00 C ATOM 390 C GLN A 26 -0.486 3.395 12.504 1.00 0.00 C ATOM 391 O GLN A 26 -0.713 4.433 13.132 1.00 0.00 O ATOM 392 CB GLN A 26 1.774 3.130 13.544 1.00 0.00 C ATOM 393 CG GLN A 26 1.217 2.425 14.770 1.00 0.00 C ATOM 394 CD GLN A 26 2.085 2.634 15.994 1.00 0.00 C ATOM 395 OE1 GLN A 26 3.301 2.783 15.889 1.00 0.00 O ATOM 396 NE2 GLN A 26 1.470 2.657 17.162 1.00 0.00 N ATOM 0 H GLN A 26 2.181 4.410 11.446 1.00 0.00 H new ATOM 0 HA GLN A 26 0.923 1.872 12.019 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.788 2.772 13.363 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.846 4.197 13.754 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.211 2.793 14.973 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.131 1.358 14.566 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.459 2.530 17.209 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.006 2.802 18.018 1.00 0.00 H new ATOM 520 N GLY A 35 -1.347 -0.368 16.755 1.00 0.00 N ATOM 521 CA GLY A 35 0.061 -0.701 16.842 1.00 0.00 C ATOM 522 C GLY A 35 0.603 -1.259 15.549 1.00 0.00 C ATOM 523 O GLY A 35 1.811 -1.260 15.317 1.00 0.00 O ATOM 0 HA2 GLY A 35 0.626 0.191 17.114 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.210 -1.429 17.639 1.00 0.00 H new ATOM 527 N LEU A 36 -0.298 -1.737 14.714 1.00 0.00 N ATOM 528 CA LEU A 36 0.054 -2.318 13.431 1.00 0.00 C ATOM 529 C LEU A 36 0.341 -1.235 12.395 1.00 0.00 C ATOM 530 O LEU A 36 -0.197 -0.126 12.465 1.00 0.00 O ATOM 531 CB LEU A 36 -1.081 -3.224 12.945 1.00 0.00 C ATOM 532 CG LEU A 36 -1.162 -4.618 13.584 1.00 0.00 C ATOM 533 CD1 LEU A 36 -1.104 -4.557 15.105 1.00 0.00 C ATOM 534 CD2 LEU A 36 -2.442 -5.299 13.152 1.00 0.00 C ATOM 0 H LEU A 36 -1.300 -1.734 14.906 1.00 0.00 H new ATOM 0 HA LEU A 36 0.961 -2.909 13.559 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.027 -2.712 13.121 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.982 -3.348 11.867 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.297 -5.188 13.244 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.165 -5.566 15.512 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.166 -4.096 15.415 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.940 -3.965 15.478 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.499 -6.288 13.606 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.297 -4.703 13.472 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.454 -5.397 12.066 1.00 0.00 H new ATOM 546 N TRP A 37 1.190 -1.569 11.437 1.00 0.00 N ATOM 547 CA TRP A 37 1.566 -0.646 10.379 1.00 0.00 C ATOM 548 C TRP A 37 0.975 -1.128 9.059 1.00 0.00 C ATOM 549 O TRP A 37 0.836 -2.332 8.844 1.00 0.00 O ATOM 550 CB TRP A 37 3.094 -0.557 10.259 1.00 0.00 C ATOM 551 CG TRP A 37 3.796 -0.222 11.547 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.028 -1.066 12.595 1.00 0.00 C ATOM 553 CD2 TRP A 37 4.368 1.039 11.918 1.00 0.00 C ATOM 554 NE1 TRP A 37 4.698 -0.408 13.595 1.00 0.00 N ATOM 555 CE2 TRP A 37 4.919 0.884 13.205 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.467 2.282 11.290 1.00 0.00 C ATOM 557 CZ2 TRP A 37 5.560 1.924 13.870 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.101 3.315 11.955 1.00 0.00 C ATOM 559 CH2 TRP A 37 5.641 3.129 13.233 1.00 0.00 C ATOM 0 H TRP A 37 1.636 -2.484 11.371 1.00 0.00 H new ATOM 0 HA TRP A 37 1.179 0.344 10.619 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.474 -1.509 9.888 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.345 0.198 9.514 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.727 -2.103 12.631 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.985 -0.816 14.485 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.056 2.434 10.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.979 1.783 14.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.181 4.282 11.480 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.132 3.956 13.725 1.00 0.00 H new ATOM 570 N GLU A 38 0.620 -0.201 8.189 1.00 0.00 N ATOM 571 CA GLU A 38 0.090 -0.555 6.878 1.00 0.00 C ATOM 572 C GLU A 38 0.713 0.318 5.799 1.00 0.00 C ATOM 573 O GLU A 38 1.326 1.351 6.101 1.00 0.00 O ATOM 574 CB GLU A 38 -1.439 -0.414 6.850 1.00 0.00 C ATOM 575 CG GLU A 38 -1.933 0.962 7.273 1.00 0.00 C ATOM 576 CD GLU A 38 -3.426 1.149 7.064 1.00 0.00 C ATOM 577 OE1 GLU A 38 -4.206 0.250 7.439 1.00 0.00 O ATOM 578 OE2 GLU A 38 -3.819 2.224 6.552 1.00 0.00 O ATOM 0 H GLU A 38 0.687 0.802 8.362 1.00 0.00 H new ATOM 0 HA GLU A 38 0.345 -1.596 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.796 -0.625 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.877 -1.166 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.697 1.118 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.395 1.724 6.709 1.00 0.00 H new ATOM 585 N PHE A 39 0.582 -0.111 4.553 1.00 0.00 N ATOM 586 CA PHE A 39 1.021 0.691 3.423 1.00 0.00 C ATOM 587 C PHE A 39 -0.034 1.736 3.099 1.00 0.00 C ATOM 588 O PHE A 39 -1.171 1.399 2.771 1.00 0.00 O ATOM 589 CB PHE A 39 1.293 -0.187 2.196 1.00 0.00 C ATOM 590 CG PHE A 39 2.461 -1.097 2.353 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.734 -0.653 2.069 1.00 0.00 C ATOM 592 CD2 PHE A 39 2.284 -2.393 2.782 1.00 0.00 C ATOM 593 CE1 PHE A 39 4.816 -1.489 2.209 1.00 0.00 C ATOM 594 CE2 PHE A 39 3.359 -3.237 2.925 1.00 0.00 C ATOM 595 CZ PHE A 39 4.631 -2.785 2.640 1.00 0.00 C ATOM 0 H PHE A 39 0.175 -1.011 4.299 1.00 0.00 H new ATOM 0 HA PHE A 39 1.953 1.188 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.406 -0.784 1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.459 0.455 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.883 0.362 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.290 -2.750 3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.809 -1.131 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.208 -4.253 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.479 -3.444 2.754 1.00 0.00 H new ATOM 605 N ALA A 40 0.349 3.004 3.208 1.00 0.00 N ATOM 606 CA ALA A 40 -0.575 4.110 2.986 1.00 0.00 C ATOM 607 C ALA A 40 -1.218 4.023 1.609 1.00 0.00 C ATOM 608 O ALA A 40 -0.579 3.622 0.640 1.00 0.00 O ATOM 609 CB ALA A 40 0.144 5.435 3.157 1.00 0.00 C ATOM 0 H ALA A 40 1.297 3.292 3.450 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.370 4.043 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.556 6.253 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.546 5.503 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.960 5.502 2.437 1.00 0.00 H new ATOM 615 N GLY A 41 -2.477 4.412 1.526 1.00 0.00 N ATOM 616 CA GLY A 41 -3.214 4.284 0.293 1.00 0.00 C ATOM 617 C GLY A 41 -4.687 4.540 0.508 1.00 0.00 C ATOM 618 O GLY A 41 -5.051 5.453 1.248 1.00 0.00 O ATOM 0 H GLY A 41 -3.005 4.818 2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.823 4.988 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.072 3.284 -0.117 1.00 0.00 H new ATOM 622 N GLY A 42 -5.530 3.729 -0.109 1.00 0.00 N ATOM 623 CA GLY A 42 -6.957 3.911 0.044 1.00 0.00 C ATOM 624 C GLY A 42 -7.770 3.013 -0.858 1.00 0.00 C ATOM 625 O GLY A 42 -7.234 2.351 -1.747 1.00 0.00 O ATOM 0 H GLY A 42 -5.254 2.952 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.232 3.719 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.209 4.951 -0.166 1.00 0.00 H new ATOM 629 N LYS A 43 -9.068 2.985 -0.610 1.00 0.00 N ATOM 630 CA LYS A 43 -9.997 2.222 -1.423 1.00 0.00 C ATOM 631 C LYS A 43 -10.294 2.961 -2.722 1.00 0.00 C ATOM 632 O LYS A 43 -10.334 4.192 -2.752 1.00 0.00 O ATOM 633 CB LYS A 43 -11.275 1.946 -0.619 1.00 0.00 C ATOM 634 CG LYS A 43 -12.469 1.485 -1.443 1.00 0.00 C ATOM 635 CD LYS A 43 -13.546 0.888 -0.553 1.00 0.00 C ATOM 636 CE LYS A 43 -14.883 0.777 -1.268 1.00 0.00 C ATOM 637 NZ LYS A 43 -15.564 2.095 -1.381 1.00 0.00 N ATOM 0 H LYS A 43 -9.507 3.490 0.160 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.550 1.264 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.056 1.187 0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.552 2.854 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.878 2.328 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.146 0.745 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.232 -0.100 -0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.662 1.505 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.728 0.362 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.526 0.081 -0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.569 1.948 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.479 2.608 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.120 2.651 -2.139 1.00 0.00 H new ATOM 651 N VAL A 44 -10.504 2.202 -3.786 1.00 0.00 N ATOM 652 CA VAL A 44 -10.703 2.765 -5.111 1.00 0.00 C ATOM 653 C VAL A 44 -12.182 2.823 -5.437 1.00 0.00 C ATOM 654 O VAL A 44 -12.883 1.811 -5.362 1.00 0.00 O ATOM 655 CB VAL A 44 -9.988 1.927 -6.194 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.158 2.550 -7.571 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.518 1.765 -5.861 1.00 0.00 C ATOM 0 H VAL A 44 -10.541 1.183 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.279 3.769 -5.106 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.449 0.940 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.644 1.939 -8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.218 2.605 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.733 3.554 -7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.033 1.172 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.047 2.746 -5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.416 1.260 -4.900 1.00 0.00 H new ATOM 667 N GLU A 45 -12.656 4.002 -5.792 1.00 0.00 N ATOM 668 CA GLU A 45 -14.031 4.161 -6.209 1.00 0.00 C ATOM 669 C GLU A 45 -14.119 3.929 -7.710 1.00 0.00 C ATOM 670 O GLU A 45 -13.193 4.269 -8.446 1.00 0.00 O ATOM 671 CB GLU A 45 -14.538 5.555 -5.840 1.00 0.00 C ATOM 672 CG GLU A 45 -14.428 5.863 -4.353 1.00 0.00 C ATOM 673 CD GLU A 45 -15.240 4.912 -3.498 1.00 0.00 C ATOM 674 OE1 GLU A 45 -16.423 5.212 -3.232 1.00 0.00 O ATOM 675 OE2 GLU A 45 -14.705 3.869 -3.076 1.00 0.00 O ATOM 0 H GLU A 45 -12.107 4.862 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.660 3.433 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.973 6.300 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.580 5.648 -6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.382 5.813 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.763 6.884 -4.172 1.00 0.00 H new ATOM 682 N PRO A 46 -15.227 3.348 -8.193 1.00 0.00 N ATOM 683 CA PRO A 46 -15.389 3.014 -9.615 1.00 0.00 C ATOM 684 C PRO A 46 -15.441 4.249 -10.512 1.00 0.00 C ATOM 685 O PRO A 46 -15.572 4.140 -11.733 1.00 0.00 O ATOM 686 CB PRO A 46 -16.721 2.260 -9.659 1.00 0.00 C ATOM 687 CG PRO A 46 -17.453 2.694 -8.437 1.00 0.00 C ATOM 688 CD PRO A 46 -16.405 2.963 -7.396 1.00 0.00 C ATOM 0 HA PRO A 46 -14.544 2.436 -9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.282 2.503 -10.562 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.564 1.181 -9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.045 3.588 -8.634 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.145 1.921 -8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.708 3.759 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.208 2.081 -6.786 1.00 0.00 H new ATOM 696 N ASP A 47 -15.312 5.420 -9.906 1.00 0.00 N ATOM 697 CA ASP A 47 -15.386 6.673 -10.639 1.00 0.00 C ATOM 698 C ASP A 47 -14.006 7.307 -10.776 1.00 0.00 C ATOM 699 O ASP A 47 -13.853 8.341 -11.429 1.00 0.00 O ATOM 700 CB ASP A 47 -16.336 7.654 -9.941 1.00 0.00 C ATOM 701 CG ASP A 47 -17.754 7.125 -9.821 1.00 0.00 C ATOM 702 OD1 ASP A 47 -18.526 7.246 -10.796 1.00 0.00 O ATOM 703 OD2 ASP A 47 -18.108 6.598 -8.746 1.00 0.00 O ATOM 0 H ASP A 47 -15.155 5.528 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.771 6.452 -11.634 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.952 7.877 -8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.350 8.593 -10.494 1.00 0.00 H new ATOM 708 N GLU A 48 -13.001 6.680 -10.174 1.00 0.00 N ATOM 709 CA GLU A 48 -11.646 7.218 -10.208 1.00 0.00 C ATOM 710 C GLU A 48 -10.631 6.155 -10.612 1.00 0.00 C ATOM 711 O GLU A 48 -10.955 4.972 -10.713 1.00 0.00 O ATOM 712 CB GLU A 48 -11.272 7.842 -8.857 1.00 0.00 C ATOM 713 CG GLU A 48 -11.239 6.878 -7.691 1.00 0.00 C ATOM 714 CD GLU A 48 -11.095 7.610 -6.377 1.00 0.00 C ATOM 715 OE1 GLU A 48 -9.982 8.074 -6.061 1.00 0.00 O ATOM 716 OE2 GLU A 48 -12.107 7.753 -5.667 1.00 0.00 O ATOM 0 H GLU A 48 -13.098 5.804 -9.660 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.623 8.001 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.292 8.310 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.984 8.636 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.153 6.285 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.409 6.182 -7.815 1.00 0.00 H new ATOM 723 N SER A 49 -9.402 6.593 -10.853 1.00 0.00 N ATOM 724 CA SER A 49 -8.343 5.709 -11.307 1.00 0.00 C ATOM 725 C SER A 49 -7.540 5.176 -10.121 1.00 0.00 C ATOM 726 O SER A 49 -7.498 5.804 -9.065 1.00 0.00 O ATOM 727 CB SER A 49 -7.435 6.469 -12.280 1.00 0.00 C ATOM 728 OG SER A 49 -6.395 5.648 -12.783 1.00 0.00 O ATOM 0 H SER A 49 -9.115 7.565 -10.739 1.00 0.00 H new ATOM 0 HA SER A 49 -8.783 4.854 -11.820 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.030 6.850 -13.110 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.003 7.333 -11.774 1.00 0.00 H new ATOM 0 HG SER A 49 -5.839 6.167 -13.401 1.00 0.00 H new ATOM 734 N GLN A 50 -6.901 4.022 -10.304 1.00 0.00 N ATOM 735 CA GLN A 50 -6.119 3.389 -9.244 1.00 0.00 C ATOM 736 C GLN A 50 -4.985 4.304 -8.790 1.00 0.00 C ATOM 737 O GLN A 50 -4.803 4.539 -7.595 1.00 0.00 O ATOM 738 CB GLN A 50 -5.547 2.054 -9.725 1.00 0.00 C ATOM 739 CG GLN A 50 -6.599 1.086 -10.252 1.00 0.00 C ATOM 740 CD GLN A 50 -6.006 -0.243 -10.682 1.00 0.00 C ATOM 741 OE1 GLN A 50 -4.841 -0.320 -11.069 1.00 0.00 O ATOM 742 NE2 GLN A 50 -6.811 -1.294 -10.636 1.00 0.00 N ATOM 0 H GLN A 50 -6.910 3.504 -11.182 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.782 3.207 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.817 2.245 -10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.012 1.581 -8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.347 0.912 -9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.114 1.541 -11.098 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.771 -1.187 -10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.471 -2.210 -10.928 1.00 0.00 H new ATOM 751 N ARG A 51 -4.229 4.825 -9.754 1.00 0.00 N ATOM 752 CA ARG A 51 -3.158 5.771 -9.457 1.00 0.00 C ATOM 753 C ARG A 51 -3.729 7.028 -8.826 1.00 0.00 C ATOM 754 O ARG A 51 -3.158 7.587 -7.894 1.00 0.00 O ATOM 755 CB ARG A 51 -2.406 6.180 -10.724 1.00 0.00 C ATOM 756 CG ARG A 51 -1.830 5.028 -11.532 1.00 0.00 C ATOM 757 CD ARG A 51 -1.075 5.557 -12.739 1.00 0.00 C ATOM 758 NE ARG A 51 -0.452 4.500 -13.532 1.00 0.00 N ATOM 759 CZ ARG A 51 0.657 4.680 -14.247 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.278 5.853 -14.233 1.00 0.00 N ATOM 761 NH2 ARG A 51 1.148 3.690 -14.975 1.00 0.00 N ATOM 0 H ARG A 51 -4.338 4.608 -10.745 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.471 5.274 -8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.083 6.748 -11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.593 6.850 -10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.162 4.435 -10.908 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.632 4.366 -11.858 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.761 6.121 -13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.306 6.253 -12.403 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.888 3.578 -13.538 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.906 6.620 -13.673 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.127 5.987 -14.782 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.677 2.785 -14.990 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.998 3.831 -15.521 1.00 0.00 H new ATOM 775 N GLN A 52 -4.883 7.441 -9.329 1.00 0.00 N ATOM 776 CA GLN A 52 -5.499 8.689 -8.914 1.00 0.00 C ATOM 777 C GLN A 52 -5.962 8.596 -7.470 1.00 0.00 C ATOM 778 O GLN A 52 -5.804 9.542 -6.696 1.00 0.00 O ATOM 779 CB GLN A 52 -6.670 9.016 -9.838 1.00 0.00 C ATOM 780 CG GLN A 52 -7.484 10.218 -9.402 1.00 0.00 C ATOM 781 CD GLN A 52 -8.430 10.693 -10.479 1.00 0.00 C ATOM 782 OE1 GLN A 52 -9.652 10.193 -10.457 1.00 0.00 O flip ATOM 783 NE2 GLN A 52 -8.067 11.513 -11.316 1.00 0.00 N flip ATOM 0 H GLN A 52 -5.414 6.924 -10.030 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.764 9.491 -8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.287 9.195 -10.843 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.326 8.148 -9.897 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.054 9.963 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.810 11.030 -9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.113 11.874 -11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.719 11.834 -12.032 1.00 0.00 H new ATOM 792 N ALA A 53 -6.511 7.442 -7.116 1.00 0.00 N ATOM 793 CA ALA A 53 -6.963 7.190 -5.761 1.00 0.00 C ATOM 794 C ALA A 53 -5.800 7.303 -4.786 1.00 0.00 C ATOM 795 O ALA A 53 -5.915 7.950 -3.749 1.00 0.00 O ATOM 796 CB ALA A 53 -7.626 5.825 -5.670 1.00 0.00 C ATOM 0 H ALA A 53 -6.653 6.662 -7.757 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.704 7.943 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.960 5.650 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.483 5.791 -6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.911 5.053 -5.955 1.00 0.00 H new ATOM 802 N LEU A 54 -4.665 6.708 -5.142 1.00 0.00 N ATOM 803 CA LEU A 54 -3.466 6.812 -4.319 1.00 0.00 C ATOM 804 C LEU A 54 -3.039 8.260 -4.171 1.00 0.00 C ATOM 805 O LEU A 54 -2.769 8.728 -3.069 1.00 0.00 O ATOM 806 CB LEU A 54 -2.314 6.006 -4.923 1.00 0.00 C ATOM 807 CG LEU A 54 -2.389 4.500 -4.706 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.194 3.809 -5.340 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.464 4.191 -3.220 1.00 0.00 C ATOM 0 H LEU A 54 -4.551 6.152 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.708 6.406 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.279 6.201 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.377 6.371 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.291 4.121 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.265 2.734 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.183 4.011 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.275 4.185 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.517 3.112 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.576 4.581 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.353 4.658 -2.796 1.00 0.00 H new ATOM 821 N VAL A 55 -3.008 8.967 -5.287 1.00 0.00 N ATOM 822 CA VAL A 55 -2.558 10.348 -5.300 1.00 0.00 C ATOM 823 C VAL A 55 -3.425 11.223 -4.399 1.00 0.00 C ATOM 824 O VAL A 55 -2.907 11.991 -3.585 1.00 0.00 O ATOM 825 CB VAL A 55 -2.538 10.919 -6.735 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.219 12.405 -6.721 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.529 10.167 -7.586 1.00 0.00 C ATOM 0 H VAL A 55 -3.290 8.606 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.540 10.357 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.529 10.789 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.210 12.785 -7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.977 12.934 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.241 12.563 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.525 10.579 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.536 10.269 -7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.801 9.112 -7.626 1.00 0.00 H new ATOM 837 N ARG A 56 -4.741 11.089 -4.516 1.00 0.00 N ATOM 838 CA ARG A 56 -5.642 11.909 -3.724 1.00 0.00 C ATOM 839 C ARG A 56 -5.611 11.500 -2.250 1.00 0.00 C ATOM 840 O ARG A 56 -5.622 12.362 -1.370 1.00 0.00 O ATOM 841 CB ARG A 56 -7.072 11.895 -4.303 1.00 0.00 C ATOM 842 CG ARG A 56 -7.738 10.526 -4.413 1.00 0.00 C ATOM 843 CD ARG A 56 -8.662 10.242 -3.239 1.00 0.00 C ATOM 844 NE ARG A 56 -9.697 9.260 -3.583 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.558 8.739 -2.705 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.444 9.003 -1.412 1.00 0.00 N ATOM 847 NH2 ARG A 56 -11.524 7.933 -3.123 1.00 0.00 N ATOM 0 H ARG A 56 -5.201 10.429 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.291 12.940 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.700 12.533 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.045 12.344 -5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.306 10.474 -5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.971 9.753 -4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.076 9.873 -2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.135 11.170 -2.916 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.763 8.956 -4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.694 9.609 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.106 8.600 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.609 7.711 -4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.182 7.535 -2.453 1.00 0.00 H new ATOM 861 N GLU A 57 -5.548 10.199 -1.984 1.00 0.00 N ATOM 862 CA GLU A 57 -5.467 9.702 -0.608 1.00 0.00 C ATOM 863 C GLU A 57 -4.184 10.150 0.088 1.00 0.00 C ATOM 864 O GLU A 57 -4.219 10.584 1.239 1.00 0.00 O ATOM 865 CB GLU A 57 -5.570 8.179 -0.572 1.00 0.00 C ATOM 866 CG GLU A 57 -6.960 7.655 -0.893 1.00 0.00 C ATOM 867 CD GLU A 57 -8.002 8.103 0.112 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.296 9.318 0.174 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.544 7.242 0.838 1.00 0.00 O ATOM 0 H GLU A 57 -5.551 9.470 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.311 10.131 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.859 7.758 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.278 7.827 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.251 7.994 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.935 6.566 -0.923 1.00 0.00 H new ATOM 876 N LEU A 58 -3.051 10.054 -0.599 1.00 0.00 N ATOM 877 CA LEU A 58 -1.781 10.431 0.012 1.00 0.00 C ATOM 878 C LEU A 58 -1.748 11.924 0.290 1.00 0.00 C ATOM 879 O LEU A 58 -1.112 12.361 1.237 1.00 0.00 O ATOM 880 CB LEU A 58 -0.586 10.046 -0.857 1.00 0.00 C ATOM 881 CG LEU A 58 -0.496 8.569 -1.242 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.822 8.283 -1.941 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.676 7.673 -0.025 1.00 0.00 C ATOM 0 H LEU A 58 -2.985 9.725 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.704 9.881 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.618 10.640 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.327 10.322 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.307 8.347 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.870 7.227 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.894 8.890 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.648 8.526 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.607 6.628 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.103 7.890 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.653 7.857 0.421 1.00 0.00 H new ATOM 895 N ARG A 59 -2.415 12.711 -0.541 1.00 0.00 N ATOM 896 CA ARG A 59 -2.525 14.138 -0.278 1.00 0.00 C ATOM 897 C ARG A 59 -3.279 14.394 1.026 1.00 0.00 C ATOM 898 O ARG A 59 -2.992 15.354 1.741 1.00 0.00 O ATOM 899 CB ARG A 59 -3.212 14.859 -1.441 1.00 0.00 C ATOM 900 CG ARG A 59 -3.439 16.336 -1.173 1.00 0.00 C ATOM 901 CD ARG A 59 -3.981 17.060 -2.392 1.00 0.00 C ATOM 902 NE ARG A 59 -4.330 18.445 -2.080 1.00 0.00 N ATOM 903 CZ ARG A 59 -4.009 19.491 -2.842 1.00 0.00 C ATOM 904 NH1 ARG A 59 -3.322 19.316 -3.970 1.00 0.00 N ATOM 905 NH2 ARG A 59 -4.374 20.713 -2.475 1.00 0.00 N ATOM 0 H ARG A 59 -2.882 12.393 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.516 14.537 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.605 14.748 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.170 14.381 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.137 16.451 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.500 16.797 -0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.237 17.041 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.861 16.537 -2.766 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.854 18.623 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.039 18.378 -4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.079 20.120 -4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.899 20.851 -1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.129 21.515 -3.056 1.00 0.00 H new ATOM 919 N GLU A 60 -4.220 13.517 1.348 1.00 0.00 N ATOM 920 CA GLU A 60 -5.023 13.688 2.547 1.00 0.00 C ATOM 921 C GLU A 60 -4.338 13.076 3.761 1.00 0.00 C ATOM 922 O GLU A 60 -4.360 13.651 4.846 1.00 0.00 O ATOM 923 CB GLU A 60 -6.417 13.078 2.367 1.00 0.00 C ATOM 924 CG GLU A 60 -7.204 13.674 1.210 1.00 0.00 C ATOM 925 CD GLU A 60 -8.699 13.419 1.322 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.263 13.623 2.419 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.318 13.010 0.314 1.00 0.00 O ATOM 0 H GLU A 60 -4.444 12.687 0.799 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.131 14.759 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.316 12.004 2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.984 13.214 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.025 14.748 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.838 13.255 0.273 1.00 0.00 H new ATOM 934 N GLU A 61 -3.717 11.917 3.577 1.00 0.00 N ATOM 935 CA GLU A 61 -3.092 11.220 4.694 1.00 0.00 C ATOM 936 C GLU A 61 -1.630 11.584 4.863 1.00 0.00 C ATOM 937 O GLU A 61 -1.174 11.798 5.982 1.00 0.00 O ATOM 938 CB GLU A 61 -3.218 9.705 4.557 1.00 0.00 C ATOM 939 CG GLU A 61 -4.618 9.210 4.763 1.00 0.00 C ATOM 940 CD GLU A 61 -5.027 9.430 6.192 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.281 8.975 7.095 1.00 0.00 O ATOM 942 OE2 GLU A 61 -6.051 10.098 6.429 1.00 0.00 O ATOM 0 H GLU A 61 -3.633 11.445 2.677 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.632 11.547 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.875 9.406 3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.559 9.225 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.301 9.733 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.679 8.150 4.516 1.00 0.00 H new ATOM 949 N LEU A 62 -0.897 11.649 3.763 1.00 0.00 N ATOM 950 CA LEU A 62 0.542 11.845 3.835 1.00 0.00 C ATOM 951 C LEU A 62 0.937 13.258 3.431 1.00 0.00 C ATOM 952 O LEU A 62 2.122 13.573 3.375 1.00 0.00 O ATOM 953 CB LEU A 62 1.259 10.833 2.942 1.00 0.00 C ATOM 954 CG LEU A 62 0.949 9.365 3.238 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.785 8.465 2.344 1.00 0.00 C ATOM 956 CD2 LEU A 62 1.201 9.040 4.704 1.00 0.00 C ATOM 0 H LEU A 62 -1.271 11.570 2.817 1.00 0.00 H new ATOM 0 HA LEU A 62 0.843 11.693 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.998 11.040 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.334 10.987 3.037 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.106 9.188 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.557 7.422 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.556 8.675 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.843 8.651 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.973 7.990 4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.247 9.232 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.564 9.665 5.330 1.00 0.00 H new ATOM 968 N GLY A 63 -0.054 14.111 3.173 1.00 0.00 N ATOM 969 CA GLY A 63 0.213 15.474 2.740 1.00 0.00 C ATOM 970 C GLY A 63 1.132 15.591 1.529 1.00 0.00 C ATOM 971 O GLY A 63 1.784 16.620 1.351 1.00 0.00 O ATOM 0 H GLY A 63 -1.044 13.880 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.735 15.959 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.657 16.024 3.570 1.00 0.00 H new ATOM 975 N ILE A 64 1.187 14.564 0.686 1.00 0.00 N ATOM 976 CA ILE A 64 2.060 14.611 -0.482 1.00 0.00 C ATOM 977 C ILE A 64 1.310 14.297 -1.766 1.00 0.00 C ATOM 978 O ILE A 64 0.382 13.486 -1.784 1.00 0.00 O ATOM 979 CB ILE A 64 3.273 13.656 -0.374 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.835 12.201 -0.161 1.00 0.00 C ATOM 981 CG2 ILE A 64 4.210 14.105 0.733 1.00 0.00 C ATOM 982 CD1 ILE A 64 4.000 11.238 -0.043 1.00 0.00 C ATOM 0 H ILE A 64 0.648 13.704 0.786 1.00 0.00 H new ATOM 0 HA ILE A 64 2.429 15.636 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 64 3.810 13.698 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.228 12.140 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.201 11.894 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.056 13.421 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.571 15.111 0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.676 14.106 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.622 10.226 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.594 11.272 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.622 11.522 0.806 1.00 0.00 H new ATOM 994 N GLU A 65 1.723 14.957 -2.832 1.00 0.00 N ATOM 995 CA GLU A 65 1.202 14.686 -4.160 1.00 0.00 C ATOM 996 C GLU A 65 2.115 13.683 -4.844 1.00 0.00 C ATOM 997 O GLU A 65 3.146 14.051 -5.404 1.00 0.00 O ATOM 998 CB GLU A 65 1.129 15.970 -4.983 1.00 0.00 C ATOM 999 CG GLU A 65 0.307 17.066 -4.332 1.00 0.00 C ATOM 1000 CD GLU A 65 0.355 18.360 -5.113 1.00 0.00 C ATOM 1001 OE1 GLU A 65 -0.470 18.534 -6.034 1.00 0.00 O ATOM 1002 OE2 GLU A 65 1.222 19.207 -4.816 1.00 0.00 O ATOM 0 H GLU A 65 2.427 15.694 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 65 0.194 14.280 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.140 16.339 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.704 15.741 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.728 16.736 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.674 17.241 -3.321 1.00 0.00 H new ATOM 1009 N ALA A 66 1.759 12.416 -4.758 1.00 0.00 N ATOM 1010 CA ALA A 66 2.613 11.359 -5.270 1.00 0.00 C ATOM 1011 C ALA A 66 2.422 11.157 -6.766 1.00 0.00 C ATOM 1012 O ALA A 66 1.382 11.501 -7.329 1.00 0.00 O ATOM 1013 CB ALA A 66 2.345 10.059 -4.529 1.00 0.00 C ATOM 0 H ALA A 66 0.887 12.093 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 66 3.647 11.661 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.992 9.275 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.548 10.197 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.303 9.771 -4.665 1.00 0.00 H new ATOM 1019 N THR A 67 3.434 10.593 -7.398 1.00 0.00 N ATOM 1020 CA THR A 67 3.364 10.245 -8.798 1.00 0.00 C ATOM 1021 C THR A 67 3.435 8.731 -8.941 1.00 0.00 C ATOM 1022 O THR A 67 4.496 8.133 -8.776 1.00 0.00 O ATOM 1023 CB THR A 67 4.507 10.903 -9.594 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.483 12.321 -9.390 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.383 10.604 -11.081 1.00 0.00 C ATOM 0 H THR A 67 4.324 10.365 -6.954 1.00 0.00 H new ATOM 0 HA THR A 67 2.421 10.613 -9.202 1.00 0.00 H new ATOM 0 HB THR A 67 5.451 10.492 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.212 12.737 -9.896 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.203 11.081 -11.618 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.423 9.526 -11.240 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.433 10.990 -11.452 1.00 0.00 H new ATOM 1033 N VAL A 68 2.295 8.117 -9.209 1.00 0.00 N ATOM 1034 CA VAL A 68 2.214 6.668 -9.298 1.00 0.00 C ATOM 1035 C VAL A 68 2.646 6.205 -10.684 1.00 0.00 C ATOM 1036 O VAL A 68 2.205 6.760 -11.689 1.00 0.00 O ATOM 1037 CB VAL A 68 0.784 6.174 -8.997 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.728 4.658 -8.982 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.290 6.742 -7.675 1.00 0.00 C ATOM 0 H VAL A 68 1.411 8.600 -9.369 1.00 0.00 H new ATOM 0 HA VAL A 68 2.885 6.243 -8.552 1.00 0.00 H new ATOM 0 HB VAL A 68 0.127 6.529 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.290 4.334 -8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.034 4.273 -9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.400 4.277 -8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.720 6.383 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.952 6.420 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.284 7.831 -7.726 1.00 0.00 H new ATOM 1049 N GLY A 69 3.514 5.198 -10.738 1.00 0.00 N ATOM 1050 CA GLY A 69 4.049 4.760 -12.011 1.00 0.00 C ATOM 1051 C GLY A 69 4.104 3.250 -12.156 1.00 0.00 C ATOM 1052 O GLY A 69 3.265 2.655 -12.828 1.00 0.00 O ATOM 0 H GLY A 69 3.853 4.681 -9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.438 5.172 -12.814 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.053 5.166 -12.133 1.00 0.00 H new ATOM 1056 N GLU A 70 5.084 2.630 -11.516 1.00 0.00 N ATOM 1057 CA GLU A 70 5.340 1.207 -11.705 1.00 0.00 C ATOM 1058 C GLU A 70 4.571 0.350 -10.693 1.00 0.00 C ATOM 1059 O GLU A 70 4.562 0.627 -9.489 1.00 0.00 O ATOM 1060 CB GLU A 70 6.844 0.943 -11.609 1.00 0.00 C ATOM 1061 CG GLU A 70 7.435 1.347 -10.274 1.00 0.00 C ATOM 1062 CD GLU A 70 8.940 1.239 -10.226 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.464 0.118 -10.346 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.596 2.282 -10.018 1.00 0.00 O ATOM 0 H GLU A 70 5.716 3.089 -10.860 1.00 0.00 H new ATOM 0 HA GLU A 70 4.985 0.923 -12.696 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.032 -0.118 -11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.354 1.487 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.145 2.374 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.008 0.720 -9.492 1.00 0.00 H new ATOM 1071 N TYR A 71 3.905 -0.674 -11.206 1.00 0.00 N ATOM 1072 CA TYR A 71 3.130 -1.602 -10.390 1.00 0.00 C ATOM 1073 C TYR A 71 4.033 -2.685 -9.792 1.00 0.00 C ATOM 1074 O TYR A 71 4.867 -3.257 -10.495 1.00 0.00 O ATOM 1075 CB TYR A 71 2.058 -2.236 -11.277 1.00 0.00 C ATOM 1076 CG TYR A 71 0.967 -2.974 -10.546 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.294 -2.393 -9.482 1.00 0.00 C ATOM 1078 CD2 TYR A 71 0.581 -4.243 -10.952 1.00 0.00 C ATOM 1079 CE1 TYR A 71 -0.733 -3.055 -8.845 1.00 0.00 C ATOM 1080 CE2 TYR A 71 -0.440 -4.914 -10.314 1.00 0.00 C ATOM 1081 CZ TYR A 71 -1.094 -4.314 -9.265 1.00 0.00 C ATOM 1082 OH TYR A 71 -2.125 -4.971 -8.643 1.00 0.00 O ATOM 0 H TYR A 71 3.886 -0.887 -12.203 1.00 0.00 H new ATOM 0 HA TYR A 71 2.666 -1.066 -9.562 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.601 -1.453 -11.882 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.543 -2.928 -11.965 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.579 -1.407 -9.147 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.089 -4.713 -11.781 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.251 -2.588 -8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.724 -5.905 -10.636 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.756 -4.317 -8.277 1.00 0.00 H new ATOM 1092 N VAL A 72 3.868 -2.966 -8.500 1.00 0.00 N ATOM 1093 CA VAL A 72 4.686 -3.977 -7.836 1.00 0.00 C ATOM 1094 C VAL A 72 3.983 -5.327 -7.812 1.00 0.00 C ATOM 1095 O VAL A 72 4.386 -6.258 -8.509 1.00 0.00 O ATOM 1096 CB VAL A 72 5.018 -3.574 -6.382 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.791 -4.677 -5.668 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.793 -2.268 -6.352 1.00 0.00 C ATOM 0 H VAL A 72 3.181 -2.512 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 72 5.609 -4.053 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 72 4.077 -3.428 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.011 -4.365 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.192 -5.587 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.724 -4.869 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.017 -2.002 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.724 -2.385 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.195 -1.479 -6.809 1.00 0.00 H new ATOM 1108 N ALA A 73 2.919 -5.423 -7.020 1.00 0.00 N ATOM 1109 CA ALA A 73 2.175 -6.670 -6.904 1.00 0.00 C ATOM 1110 C ALA A 73 0.760 -6.429 -6.401 1.00 0.00 C ATOM 1111 O ALA A 73 0.390 -5.300 -6.067 1.00 0.00 O ATOM 1112 CB ALA A 73 2.899 -7.628 -5.969 1.00 0.00 C ATOM 0 H ALA A 73 2.556 -4.657 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 73 2.111 -7.112 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.333 -8.556 -5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.892 -7.841 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.990 -7.174 -4.982 1.00 0.00 H new ATOM 1118 N SER A 74 -0.024 -7.492 -6.356 1.00 0.00 N ATOM 1119 CA SER A 74 -1.372 -7.430 -5.822 1.00 0.00 C ATOM 1120 C SER A 74 -1.632 -8.608 -4.896 1.00 0.00 C ATOM 1121 O SER A 74 -0.996 -9.656 -5.017 1.00 0.00 O ATOM 1122 CB SER A 74 -2.399 -7.424 -6.953 1.00 0.00 C ATOM 1123 OG SER A 74 -1.777 -7.577 -8.219 1.00 0.00 O ATOM 0 H SER A 74 0.254 -8.416 -6.686 1.00 0.00 H new ATOM 0 HA SER A 74 -1.469 -6.505 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.117 -8.230 -6.799 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.960 -6.490 -6.932 1.00 0.00 H new ATOM 0 HG SER A 74 -1.733 -6.707 -8.669 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.550 -8.423 -3.962 1.00 0.00 N ATOM 1130 CA HIS A 75 -2.962 -9.500 -3.078 1.00 0.00 C ATOM 1131 C HIS A 75 -4.452 -9.386 -2.789 1.00 0.00 C ATOM 1132 O HIS A 75 -4.992 -8.282 -2.694 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.175 -9.475 -1.766 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.419 -10.685 -0.913 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -1.870 -11.921 -1.179 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -3.169 -10.846 0.202 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -2.276 -12.786 -0.268 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.065 -12.158 0.582 1.00 0.00 N ATOM 0 H HIS A 75 -3.025 -7.535 -3.796 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.756 -10.447 -3.577 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.110 -9.403 -1.989 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.444 -8.581 -1.204 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.744 -10.080 0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.007 -13.831 -0.226 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.523 -12.580 1.390 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.110 -10.522 -2.665 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.522 -10.541 -2.329 1.00 0.00 C ATOM 1149 C GLN A 76 -6.748 -11.142 -0.952 1.00 0.00 C ATOM 1150 O GLN A 76 -6.157 -12.160 -0.598 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.323 -11.287 -3.394 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.658 -10.412 -4.588 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.321 -11.170 -5.720 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -8.068 -12.356 -5.922 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -9.179 -10.492 -6.469 1.00 0.00 N ATOM 0 H GLN A 76 -4.691 -11.443 -2.791 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.876 -9.511 -2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.754 -12.154 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.246 -11.663 -2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.317 -9.606 -4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.744 -9.948 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.363 -9.509 -6.270 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.655 -10.954 -7.244 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.594 -10.484 -0.180 1.00 0.00 N ATOM 1165 CA ARG A 77 -7.940 -10.929 1.164 1.00 0.00 C ATOM 1166 C ARG A 77 -9.437 -10.736 1.342 1.00 0.00 C ATOM 1167 O ARG A 77 -10.031 -9.952 0.615 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.154 -10.134 2.224 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.555 -8.666 2.337 1.00 0.00 C ATOM 1170 CD ARG A 77 -6.684 -7.921 3.343 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.148 -6.547 3.582 1.00 0.00 N ATOM 1172 CZ ARG A 77 -6.337 -5.518 3.878 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -5.018 -5.692 3.935 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -6.851 -4.312 4.106 1.00 0.00 N ATOM 0 H ARG A 77 -8.063 -9.624 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.677 -11.979 1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.292 -10.611 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.091 -10.191 1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.472 -8.190 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.600 -8.596 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.676 -8.467 4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.656 -7.896 2.980 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.149 -6.363 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.617 -6.612 3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.409 -4.905 4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.860 -4.170 4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.236 -3.530 4.331 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.061 -11.437 2.268 1.00 0.00 N ATOM 1189 CA GLU A 78 -11.505 -11.330 2.396 1.00 0.00 C ATOM 1190 C GLU A 78 -11.896 -10.474 3.599 1.00 0.00 C ATOM 1191 O GLU A 78 -11.288 -10.555 4.669 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.157 -12.719 2.463 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.083 -13.387 3.822 1.00 0.00 C ATOM 1194 CD GLU A 78 -12.500 -14.842 3.781 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -11.676 -15.691 3.376 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -13.646 -15.146 4.169 1.00 0.00 O ATOM 0 H GLU A 78 -9.609 -12.071 2.927 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.881 -10.829 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.204 -12.629 2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.678 -13.366 1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.064 -13.316 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.723 -12.849 4.522 1.00 0.00 H new ATOM 1203 N VAL A 79 -12.894 -9.628 3.393 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.462 -8.825 4.458 1.00 0.00 C ATOM 1205 C VAL A 79 -14.946 -9.161 4.620 1.00 0.00 C ATOM 1206 O VAL A 79 -15.798 -8.649 3.889 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.269 -7.308 4.215 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -13.753 -6.895 2.833 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -13.964 -6.496 5.299 1.00 0.00 C ATOM 0 H VAL A 79 -13.330 -9.481 2.483 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.931 -9.067 5.379 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.200 -7.100 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.601 -5.824 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.191 -7.439 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.814 -7.126 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.816 -5.433 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.031 -6.720 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.544 -6.753 6.272 1.00 0.00 H new ATOM 1219 N SER A 80 -15.235 -10.059 5.556 1.00 0.00 N ATOM 1220 CA SER A 80 -16.599 -10.509 5.820 1.00 0.00 C ATOM 1221 C SER A 80 -17.342 -10.872 4.526 1.00 0.00 C ATOM 1222 O SER A 80 -18.274 -10.177 4.117 1.00 0.00 O ATOM 1223 CB SER A 80 -17.367 -9.430 6.591 1.00 0.00 C ATOM 1224 OG SER A 80 -16.692 -9.078 7.789 1.00 0.00 O ATOM 0 H SER A 80 -14.532 -10.495 6.153 1.00 0.00 H new ATOM 0 HA SER A 80 -16.540 -11.413 6.426 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.486 -8.546 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.368 -9.791 6.827 1.00 0.00 H new ATOM 0 HG SER A 80 -17.202 -8.387 8.261 1.00 0.00 H new ATOM 1230 N GLY A 81 -16.913 -11.952 3.877 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.570 -12.406 2.662 1.00 0.00 C ATOM 1232 C GLY A 81 -17.146 -11.666 1.398 1.00 0.00 C ATOM 1233 O GLY A 81 -17.419 -12.129 0.290 1.00 0.00 O ATOM 0 H GLY A 81 -16.120 -12.522 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.368 -13.469 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.648 -12.300 2.786 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.485 -10.528 1.545 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.076 -9.743 0.384 1.00 0.00 C ATOM 1239 C ARG A 82 -14.596 -9.952 0.108 1.00 0.00 C ATOM 1240 O ARG A 82 -13.824 -10.175 1.029 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.347 -8.255 0.612 1.00 0.00 C ATOM 1242 CG ARG A 82 -17.750 -7.954 1.103 1.00 0.00 C ATOM 1243 CD ARG A 82 -17.938 -6.466 1.341 1.00 0.00 C ATOM 1244 NE ARG A 82 -19.192 -6.164 2.029 1.00 0.00 N ATOM 1245 CZ ARG A 82 -19.546 -4.943 2.433 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -18.720 -3.917 2.254 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -20.716 -4.753 3.031 1.00 0.00 N ATOM 0 H ARG A 82 -16.221 -10.128 2.446 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.657 -10.078 -0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.629 -7.872 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.176 -7.717 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.478 -8.303 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.940 -8.500 2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.103 -6.087 1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.916 -5.943 0.385 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.836 -6.934 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.815 -4.063 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.992 -2.984 2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.346 -5.541 3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.985 -3.819 3.339 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.198 -9.878 -1.148 1.00 0.00 N ATOM 1262 CA ILE A 83 -12.796 -10.063 -1.507 1.00 0.00 C ATOM 1263 C ILE A 83 -12.150 -8.721 -1.835 1.00 0.00 C ATOM 1264 O ILE A 83 -12.537 -8.055 -2.788 1.00 0.00 O ATOM 1265 CB ILE A 83 -12.617 -11.036 -2.706 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -12.854 -12.494 -2.285 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.229 -10.898 -3.317 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -14.282 -12.816 -1.908 1.00 0.00 C ATOM 0 H ILE A 83 -14.818 -9.692 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.303 -10.508 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.362 -10.766 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -12.552 -13.148 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.208 -12.723 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.129 -11.589 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.087 -9.877 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.475 -11.129 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -14.356 -13.866 -1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -14.586 -12.191 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.935 -12.623 -2.759 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.175 -8.323 -1.031 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.454 -7.086 -1.268 1.00 0.00 C ATOM 1282 C ILE A 84 -9.238 -7.344 -2.142 1.00 0.00 C ATOM 1283 O ILE A 84 -8.522 -8.330 -1.960 1.00 0.00 O ATOM 1284 CB ILE A 84 -9.985 -6.391 0.031 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.550 -7.060 1.277 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.398 -4.940 0.034 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.514 -6.147 2.483 1.00 0.00 C ATOM 0 H ILE A 84 -10.866 -8.841 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.159 -6.420 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.898 -6.475 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.578 -7.368 1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.981 -7.965 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.059 -4.467 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.950 -4.432 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.484 -4.871 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.927 -6.668 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.483 -5.860 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.106 -5.254 2.281 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.009 -6.446 -3.077 1.00 0.00 N ATOM 1300 CA HIS A 85 -7.931 -6.572 -4.034 1.00 0.00 C ATOM 1301 C HIS A 85 -6.957 -5.417 -3.861 1.00 0.00 C ATOM 1302 O HIS A 85 -7.218 -4.304 -4.321 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.507 -6.567 -5.449 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.577 -7.078 -6.504 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -7.810 -6.904 -7.847 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -6.429 -7.791 -6.415 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -6.853 -7.486 -8.540 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -5.996 -8.034 -7.698 1.00 0.00 N ATOM 0 H HIS A 85 -9.570 -5.602 -3.195 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.400 -7.509 -3.867 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.414 -7.171 -5.460 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -8.800 -5.548 -5.704 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.603 -6.401 -8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.943 -8.110 -5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.781 -7.511 -9.617 1.00 0.00 H new ATOM 1317 N LEU A 86 -5.848 -5.677 -3.191 1.00 0.00 N ATOM 1318 CA LEU A 86 -4.868 -4.642 -2.914 1.00 0.00 C ATOM 1319 C LEU A 86 -3.858 -4.543 -4.044 1.00 0.00 C ATOM 1320 O LEU A 86 -3.310 -5.551 -4.490 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.147 -4.905 -1.588 1.00 0.00 C ATOM 1322 CG LEU A 86 -4.891 -4.441 -0.331 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.041 -5.386 -0.001 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -3.923 -4.321 0.841 1.00 0.00 C ATOM 0 H LEU A 86 -5.603 -6.598 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.401 -3.694 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.958 -5.975 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.176 -4.411 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.318 -3.457 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.554 -5.036 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.743 -5.410 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.650 -6.388 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.464 -3.991 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.465 -5.291 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.146 -3.596 0.599 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.648 -3.326 -4.518 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.684 -3.056 -5.576 1.00 0.00 C ATOM 1338 C HIS A 87 -1.516 -2.260 -5.017 1.00 0.00 C ATOM 1339 O HIS A 87 -1.687 -1.107 -4.632 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.336 -2.252 -6.708 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.563 -2.882 -7.282 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -4.522 -3.844 -8.263 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -5.874 -2.669 -7.019 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -5.751 -4.196 -8.581 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.590 -3.501 -7.840 1.00 0.00 N ATOM 0 H HIS A 87 -4.139 -2.498 -4.182 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.332 -4.009 -5.970 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.592 -1.261 -6.333 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.606 -2.112 -7.506 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.279 -1.974 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.025 -4.931 -9.324 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.607 -3.571 -7.872 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.339 -2.858 -4.972 1.00 0.00 N ATOM 1355 CA ALA A 88 0.831 -2.177 -4.439 1.00 0.00 C ATOM 1356 C ALA A 88 1.616 -1.506 -5.557 1.00 0.00 C ATOM 1357 O ALA A 88 2.112 -2.173 -6.467 1.00 0.00 O ATOM 1358 CB ALA A 88 1.715 -3.150 -3.672 1.00 0.00 C ATOM 0 H ALA A 88 -0.166 -3.810 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 88 0.492 -1.405 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.585 -2.621 -3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.150 -3.580 -2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.044 -3.946 -4.340 1.00 0.00 H new ATOM 1364 N TRP A 89 1.708 -0.188 -5.494 1.00 0.00 N ATOM 1365 CA TRP A 89 2.455 0.577 -6.482 1.00 0.00 C ATOM 1366 C TRP A 89 3.713 1.167 -5.852 1.00 0.00 C ATOM 1367 O TRP A 89 3.693 1.597 -4.697 1.00 0.00 O ATOM 1368 CB TRP A 89 1.594 1.710 -7.053 1.00 0.00 C ATOM 1369 CG TRP A 89 0.368 1.248 -7.789 1.00 0.00 C ATOM 1370 CD1 TRP A 89 -0.819 0.854 -7.242 1.00 0.00 C ATOM 1371 CD2 TRP A 89 0.205 1.157 -9.211 1.00 0.00 C ATOM 1372 NE1 TRP A 89 -1.708 0.521 -8.234 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -1.104 0.698 -9.451 1.00 0.00 C ATOM 1374 CE3 TRP A 89 1.037 1.418 -10.303 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -1.597 0.496 -10.737 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 0.545 1.216 -11.579 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -0.761 0.759 -11.786 1.00 0.00 C ATOM 0 H TRP A 89 1.273 0.378 -4.766 1.00 0.00 H new ATOM 0 HA TRP A 89 2.736 -0.098 -7.291 1.00 0.00 H new ATOM 0 HB2 TRP A 89 1.288 2.364 -6.237 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.205 2.309 -7.729 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.028 0.811 -6.183 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -2.663 0.195 -8.088 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.046 1.771 -10.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.605 0.144 -10.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 1.179 1.414 -12.430 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -1.116 0.611 -12.795 1.00 0.00 H new ATOM 1388 N HIS A 90 4.806 1.174 -6.600 1.00 0.00 N ATOM 1389 CA HIS A 90 6.045 1.781 -6.130 1.00 0.00 C ATOM 1390 C HIS A 90 6.030 3.268 -6.451 1.00 0.00 C ATOM 1391 O HIS A 90 5.862 3.654 -7.607 1.00 0.00 O ATOM 1392 CB HIS A 90 7.251 1.096 -6.791 1.00 0.00 C ATOM 1393 CG HIS A 90 8.592 1.676 -6.427 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.423 2.286 -7.343 1.00 0.00 N ATOM 1395 CD2 HIS A 90 9.261 1.702 -5.251 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.536 2.658 -6.747 1.00 0.00 C ATOM 1397 NE2 HIS A 90 10.469 2.317 -5.476 1.00 0.00 N ATOM 0 H HIS A 90 4.862 0.767 -7.534 1.00 0.00 H new ATOM 0 HA HIS A 90 6.129 1.652 -5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.243 0.040 -6.520 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.131 1.148 -7.873 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.208 2.427 -8.330 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.910 1.311 -4.308 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.367 3.160 -7.221 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.193 2.482 -4.776 1.00 0.00 H new ATOM 1406 N VAL A 91 6.184 4.096 -5.429 1.00 0.00 N ATOM 1407 CA VAL A 91 6.186 5.538 -5.619 1.00 0.00 C ATOM 1408 C VAL A 91 7.603 6.035 -5.879 1.00 0.00 C ATOM 1409 O VAL A 91 8.436 6.066 -4.974 1.00 0.00 O ATOM 1410 CB VAL A 91 5.596 6.273 -4.395 1.00 0.00 C ATOM 1411 CG1 VAL A 91 5.580 7.779 -4.617 1.00 0.00 C ATOM 1412 CG2 VAL A 91 4.196 5.763 -4.091 1.00 0.00 C ATOM 0 H VAL A 91 6.309 3.795 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 91 5.558 5.756 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 91 6.235 6.066 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.160 8.272 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.598 8.134 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.971 8.012 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.796 6.292 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.551 5.936 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.236 4.695 -3.877 1.00 0.00 H new ATOM 1422 N PRO A 92 7.895 6.404 -7.137 1.00 0.00 N ATOM 1423 CA PRO A 92 9.222 6.859 -7.543 1.00 0.00 C ATOM 1424 C PRO A 92 9.509 8.294 -7.106 1.00 0.00 C ATOM 1425 O PRO A 92 10.666 8.669 -6.904 1.00 0.00 O ATOM 1426 CB PRO A 92 9.170 6.749 -9.068 1.00 0.00 C ATOM 1427 CG PRO A 92 7.739 6.965 -9.412 1.00 0.00 C ATOM 1428 CD PRO A 92 6.945 6.392 -8.269 1.00 0.00 C ATOM 0 HA PRO A 92 10.019 6.272 -7.086 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.808 7.495 -9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.516 5.773 -9.407 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.525 8.026 -9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.485 6.471 -10.350 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.061 6.993 -8.055 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.598 5.382 -8.489 1.00 0.00 H new ATOM 1436 N ASP A 93 8.458 9.097 -6.966 1.00 0.00 N ATOM 1437 CA ASP A 93 8.612 10.477 -6.521 1.00 0.00 C ATOM 1438 C ASP A 93 7.301 11.027 -5.974 1.00 0.00 C ATOM 1439 O ASP A 93 6.219 10.555 -6.338 1.00 0.00 O ATOM 1440 CB ASP A 93 9.120 11.370 -7.654 1.00 0.00 C ATOM 1441 CG ASP A 93 9.797 12.622 -7.126 1.00 0.00 C ATOM 1442 OD1 ASP A 93 10.952 12.520 -6.655 1.00 0.00 O ATOM 1443 OD2 ASP A 93 9.176 13.705 -7.166 1.00 0.00 O ATOM 0 H ASP A 93 7.495 8.817 -7.153 1.00 0.00 H new ATOM 0 HA ASP A 93 9.351 10.479 -5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.823 10.810 -8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.286 11.652 -8.297 1.00 0.00 H new ATOM 1448 N PHE A 94 7.406 12.014 -5.096 1.00 0.00 N ATOM 1449 CA PHE A 94 6.242 12.644 -4.491 1.00 0.00 C ATOM 1450 C PHE A 94 6.515 14.122 -4.222 1.00 0.00 C ATOM 1451 O PHE A 94 7.633 14.500 -3.864 1.00 0.00 O ATOM 1452 CB PHE A 94 5.866 11.925 -3.188 1.00 0.00 C ATOM 1453 CG PHE A 94 7.020 11.754 -2.235 1.00 0.00 C ATOM 1454 CD1 PHE A 94 7.833 10.632 -2.304 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.292 12.716 -1.275 1.00 0.00 C ATOM 1456 CE1 PHE A 94 8.895 10.474 -1.434 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.354 12.564 -0.405 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.156 11.442 -0.484 1.00 0.00 C ATOM 0 H PHE A 94 8.297 12.399 -4.784 1.00 0.00 H new ATOM 0 HA PHE A 94 5.406 12.568 -5.186 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.075 12.485 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.458 10.944 -3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.634 9.873 -3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.667 13.594 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.520 9.595 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.557 13.322 0.337 1.00 0.00 H new ATOM 0 HZ PHE A 94 9.986 11.322 0.196 1.00 0.00 H new ATOM 1468 N HIS A 95 5.502 14.954 -4.410 1.00 0.00 N ATOM 1469 CA HIS A 95 5.636 16.388 -4.194 1.00 0.00 C ATOM 1470 C HIS A 95 5.092 16.784 -2.824 1.00 0.00 C ATOM 1471 O HIS A 95 3.918 16.569 -2.531 1.00 0.00 O ATOM 1472 CB HIS A 95 4.891 17.145 -5.302 1.00 0.00 C ATOM 1473 CG HIS A 95 4.985 18.639 -5.211 1.00 0.00 C ATOM 1474 ND1 HIS A 95 5.921 19.376 -5.900 1.00 0.00 N ATOM 1475 CD2 HIS A 95 4.241 19.536 -4.520 1.00 0.00 C ATOM 1476 CE1 HIS A 95 5.752 20.656 -5.638 1.00 0.00 C ATOM 1477 NE2 HIS A 95 4.737 20.786 -4.803 1.00 0.00 N ATOM 0 H HIS A 95 4.574 14.660 -4.713 1.00 0.00 H new ATOM 0 HA HIS A 95 6.693 16.651 -4.225 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.284 16.828 -6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.840 16.858 -5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.411 19.310 -3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.345 21.465 -6.039 1.00 0.00 H new ATOM 0 HE2 HIS A 95 4.381 21.666 -4.431 1.00 0.00 H new ATOM 1486 N GLY A 96 5.948 17.363 -1.994 1.00 0.00 N ATOM 1487 CA GLY A 96 5.509 17.859 -0.705 1.00 0.00 C ATOM 1488 C GLY A 96 6.298 17.268 0.442 1.00 0.00 C ATOM 1489 O GLY A 96 7.408 16.774 0.248 1.00 0.00 O ATOM 0 H GLY A 96 6.940 17.498 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.604 18.945 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.452 17.629 -0.571 1.00 0.00 H new ATOM 1493 N THR A 97 5.728 17.322 1.637 1.00 0.00 N ATOM 1494 CA THR A 97 6.354 16.754 2.814 1.00 0.00 C ATOM 1495 C THR A 97 5.427 15.714 3.430 1.00 0.00 C ATOM 1496 O THR A 97 4.259 15.993 3.697 1.00 0.00 O ATOM 1497 CB THR A 97 6.692 17.848 3.845 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.465 18.878 3.210 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.478 17.273 5.017 1.00 0.00 C ATOM 0 H THR A 97 4.824 17.759 1.814 1.00 0.00 H new ATOM 0 HA THR A 97 7.288 16.277 2.517 1.00 0.00 H new ATOM 0 HB THR A 97 5.759 18.262 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.680 19.576 3.864 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.703 18.067 5.729 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.885 16.502 5.509 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.409 16.838 4.653 1.00 0.00 H new ATOM 1507 N LEU A 98 5.952 14.517 3.642 1.00 0.00 N ATOM 1508 CA LEU A 98 5.131 13.397 4.070 1.00 0.00 C ATOM 1509 C LEU A 98 4.809 13.492 5.549 1.00 0.00 C ATOM 1510 O LEU A 98 5.702 13.527 6.397 1.00 0.00 O ATOM 1511 CB LEU A 98 5.784 12.045 3.740 1.00 0.00 C ATOM 1512 CG LEU A 98 7.264 11.890 4.105 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.584 10.432 4.374 1.00 0.00 C ATOM 1514 CD2 LEU A 98 8.149 12.405 2.979 1.00 0.00 C ATOM 0 H LEU A 98 6.941 14.297 3.525 1.00 0.00 H new ATOM 0 HA LEU A 98 4.197 13.452 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.223 11.262 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.677 11.867 2.670 1.00 0.00 H new ATOM 0 HG LEU A 98 7.459 12.475 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.638 10.333 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.972 10.072 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.372 9.842 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.196 12.287 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.948 11.838 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.937 13.460 2.803 1.00 0.00 H new ATOM 1526 N GLN A 99 3.522 13.543 5.836 1.00 0.00 N ATOM 1527 CA GLN A 99 3.034 13.686 7.191 1.00 0.00 C ATOM 1528 C GLN A 99 2.006 12.594 7.473 1.00 0.00 C ATOM 1529 O GLN A 99 1.614 11.864 6.568 1.00 0.00 O ATOM 1530 CB GLN A 99 2.416 15.077 7.375 1.00 0.00 C ATOM 1531 CG GLN A 99 1.086 15.265 6.662 1.00 0.00 C ATOM 1532 CD GLN A 99 0.469 16.629 6.918 1.00 0.00 C ATOM 1533 OE1 GLN A 99 0.734 17.199 8.087 1.00 0.00 O flip ATOM 1534 NE2 GLN A 99 -0.244 17.169 6.072 1.00 0.00 N flip ATOM 0 H GLN A 99 2.785 13.486 5.133 1.00 0.00 H new ATOM 0 HA GLN A 99 3.859 13.582 7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.274 15.262 8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.120 15.826 7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.232 15.133 5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.392 14.490 6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.426 16.701 5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.653 18.085 6.259 1.00 0.00 H new ATOM 1543 N ALA A 100 1.592 12.459 8.723 1.00 0.00 N ATOM 1544 CA ALA A 100 0.583 11.468 9.074 1.00 0.00 C ATOM 1545 C ALA A 100 -0.708 12.133 9.548 1.00 0.00 C ATOM 1546 O ALA A 100 -0.719 12.848 10.550 1.00 0.00 O ATOM 1547 CB ALA A 100 1.127 10.509 10.125 1.00 0.00 C ATOM 0 H ALA A 100 1.934 13.016 9.506 1.00 0.00 H new ATOM 0 HA ALA A 100 0.342 10.895 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.363 9.774 10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.006 9.998 9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.403 11.068 11.019 1.00 0.00 H new ATOM 1553 N HIS A 101 -1.788 11.901 8.806 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.094 12.481 9.115 1.00 0.00 C ATOM 1555 C HIS A 101 -3.899 11.556 10.031 1.00 0.00 C ATOM 1556 O HIS A 101 -4.004 11.792 11.235 1.00 0.00 O ATOM 1557 CB HIS A 101 -3.857 12.729 7.807 1.00 0.00 C ATOM 1558 CG HIS A 101 -5.274 13.205 7.964 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -6.356 12.447 7.579 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -5.781 14.366 8.442 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.465 13.117 7.810 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -7.148 14.284 8.334 1.00 0.00 N ATOM 0 H HIS A 101 -1.784 11.308 7.976 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.948 13.426 9.639 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.308 13.466 7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.865 11.804 7.230 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -6.306 11.511 7.177 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.217 15.199 8.834 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.467 12.769 7.605 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.466 10.505 9.447 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.279 9.548 10.186 1.00 0.00 C ATOM 1573 C GLU A 102 -4.406 8.509 10.851 1.00 0.00 C ATOM 1574 O GLU A 102 -4.810 7.848 11.806 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.258 8.864 9.239 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.609 9.557 9.160 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.323 9.567 10.494 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -8.797 8.494 10.926 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -8.417 10.644 11.119 1.00 0.00 O ATOM 0 H GLU A 102 -4.375 10.294 8.453 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.831 10.085 10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.820 8.825 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.405 7.834 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.471 10.582 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.231 9.054 8.420 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.206 8.369 10.330 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.263 7.400 10.841 1.00 0.00 C ATOM 1588 C HIS A 103 -1.428 8.043 11.941 1.00 0.00 C ATOM 1589 O HIS A 103 -1.084 9.217 11.852 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.390 6.871 9.698 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.160 6.077 8.673 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -3.030 6.643 7.755 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -2.189 4.743 8.429 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.552 5.690 7.002 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -3.059 4.534 7.389 1.00 0.00 N ATOM 0 H HIS A 103 -2.859 8.920 9.545 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.793 6.550 11.270 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.903 7.712 9.204 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.601 6.245 10.114 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -3.235 7.639 7.673 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.630 3.985 8.957 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.264 5.836 6.203 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.287 3.627 6.981 1.00 0.00 H new ATOM 1604 N GLN A 104 -1.124 7.280 12.982 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.485 7.831 14.174 1.00 0.00 C ATOM 1606 C GLN A 104 1.003 8.069 13.955 1.00 0.00 C ATOM 1607 O GLN A 104 1.494 9.185 14.115 1.00 0.00 O ATOM 1608 CB GLN A 104 -0.694 6.893 15.366 1.00 0.00 C ATOM 1609 CG GLN A 104 -0.169 7.445 16.681 1.00 0.00 C ATOM 1610 CD GLN A 104 -0.869 8.725 17.097 1.00 0.00 C ATOM 1611 OE1 GLN A 104 -2.036 8.944 16.767 1.00 0.00 O ATOM 1612 NE2 GLN A 104 -0.164 9.579 17.815 1.00 0.00 N ATOM 0 H GLN A 104 -1.309 6.278 13.027 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.951 8.794 14.384 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.759 6.684 15.470 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -0.202 5.943 15.159 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.296 6.695 17.462 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.901 7.633 16.591 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.800 9.360 18.067 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.583 10.458 18.118 1.00 0.00 H new ATOM 1621 N ALA A 105 1.717 7.020 13.586 1.00 0.00 N ATOM 1622 CA ALA A 105 3.158 7.109 13.426 1.00 0.00 C ATOM 1623 C ALA A 105 3.566 6.810 11.993 1.00 0.00 C ATOM 1624 O ALA A 105 2.852 6.112 11.270 1.00 0.00 O ATOM 1625 CB ALA A 105 3.850 6.155 14.386 1.00 0.00 C ATOM 0 H ALA A 105 1.324 6.099 13.392 1.00 0.00 H new ATOM 0 HA ALA A 105 3.467 8.128 13.658 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.930 6.230 14.258 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.587 6.416 15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.530 5.134 14.178 1.00 0.00 H new ATOM 1631 N LEU A 106 4.713 7.340 11.590 1.00 0.00 N ATOM 1632 CA LEU A 106 5.241 7.127 10.250 1.00 0.00 C ATOM 1633 C LEU A 106 6.705 6.720 10.352 1.00 0.00 C ATOM 1634 O LEU A 106 7.501 7.412 10.990 1.00 0.00 O ATOM 1635 CB LEU A 106 5.120 8.411 9.422 1.00 0.00 C ATOM 1636 CG LEU A 106 4.441 8.261 8.063 1.00 0.00 C ATOM 1637 CD1 LEU A 106 2.995 7.831 8.231 1.00 0.00 C ATOM 1638 CD2 LEU A 106 4.518 9.568 7.292 1.00 0.00 C ATOM 0 H LEU A 106 5.301 7.928 12.181 1.00 0.00 H new ATOM 0 HA LEU A 106 4.670 6.339 9.759 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.566 9.147 10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.120 8.816 9.265 1.00 0.00 H new ATOM 0 HG LEU A 106 4.964 7.489 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.529 7.730 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.958 6.874 8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.458 8.580 8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.031 9.449 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.016 10.354 7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.563 9.840 7.141 1.00 0.00 H new ATOM 1650 N VAL A 107 7.062 5.600 9.746 1.00 0.00 N ATOM 1651 CA VAL A 107 8.434 5.116 9.810 1.00 0.00 C ATOM 1652 C VAL A 107 8.935 4.740 8.424 1.00 0.00 C ATOM 1653 O VAL A 107 8.170 4.276 7.578 1.00 0.00 O ATOM 1654 CB VAL A 107 8.569 3.899 10.763 1.00 0.00 C ATOM 1655 CG1 VAL A 107 7.888 2.664 10.193 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.031 3.606 11.068 1.00 0.00 C ATOM 0 H VAL A 107 6.427 5.011 9.207 1.00 0.00 H new ATOM 0 HA VAL A 107 9.044 5.928 10.206 1.00 0.00 H new ATOM 0 HB VAL A 107 8.066 4.159 11.694 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.003 1.832 10.887 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.828 2.869 10.045 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.344 2.405 9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.098 2.749 11.738 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.559 3.384 10.140 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.485 4.475 11.544 1.00 0.00 H new ATOM 1666 N TRP A 108 10.212 4.976 8.187 1.00 0.00 N ATOM 1667 CA TRP A 108 10.842 4.536 6.961 1.00 0.00 C ATOM 1668 C TRP A 108 11.873 3.462 7.278 1.00 0.00 C ATOM 1669 O TRP A 108 12.841 3.695 8.004 1.00 0.00 O ATOM 1670 CB TRP A 108 11.459 5.714 6.187 1.00 0.00 C ATOM 1671 CG TRP A 108 12.485 6.508 6.949 1.00 0.00 C ATOM 1672 CD1 TRP A 108 13.842 6.381 6.867 1.00 0.00 C ATOM 1673 CD2 TRP A 108 12.237 7.559 7.891 1.00 0.00 C ATOM 1674 NE1 TRP A 108 14.452 7.283 7.703 1.00 0.00 N ATOM 1675 CE2 TRP A 108 13.490 8.016 8.343 1.00 0.00 C ATOM 1676 CE3 TRP A 108 11.081 8.159 8.399 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 13.617 9.041 9.275 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 11.210 9.176 9.324 1.00 0.00 C ATOM 1679 CH2 TRP A 108 12.471 9.608 9.753 1.00 0.00 C ATOM 0 H TRP A 108 10.832 5.470 8.829 1.00 0.00 H new ATOM 0 HA TRP A 108 10.082 4.106 6.308 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.921 5.329 5.278 1.00 0.00 H new ATOM 0 HB3 TRP A 108 10.658 6.386 5.878 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.360 5.674 6.236 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.459 7.389 7.827 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.104 7.833 8.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.588 9.376 9.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.323 9.646 9.723 1.00 0.00 H new ATOM 0 HH2 TRP A 108 12.538 10.406 10.477 1.00 0.00 H new ATOM 1690 N CYS A 109 11.636 2.276 6.758 1.00 0.00 N ATOM 1691 CA CYS A 109 12.498 1.138 7.037 1.00 0.00 C ATOM 1692 C CYS A 109 12.752 0.345 5.767 1.00 0.00 C ATOM 1693 O CYS A 109 11.974 0.422 4.820 1.00 0.00 O ATOM 1694 CB CYS A 109 11.893 0.245 8.122 1.00 0.00 C ATOM 1695 SG CYS A 109 10.240 -0.372 7.749 1.00 0.00 S ATOM 0 H CYS A 109 10.853 2.071 6.138 1.00 0.00 H new ATOM 0 HA CYS A 109 13.452 1.514 7.408 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.556 -0.605 8.286 1.00 0.00 H new ATOM 0 HB3 CYS A 109 11.855 0.805 9.056 1.00 0.00 H new ATOM 0 HG CYS A 109 10.061 -0.381 6.461 1.00 0.00 H new ATOM 1701 N SER A 110 13.844 -0.400 5.741 1.00 0.00 N ATOM 1702 CA SER A 110 14.214 -1.168 4.566 1.00 0.00 C ATOM 1703 C SER A 110 13.156 -2.250 4.307 1.00 0.00 C ATOM 1704 O SER A 110 12.465 -2.661 5.239 1.00 0.00 O ATOM 1705 CB SER A 110 15.586 -1.801 4.794 1.00 0.00 C ATOM 1706 OG SER A 110 16.488 -0.853 5.346 1.00 0.00 O ATOM 0 H SER A 110 14.492 -0.489 6.524 1.00 0.00 H new ATOM 0 HA SER A 110 14.265 -0.516 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.492 -2.655 5.465 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.980 -2.179 3.850 1.00 0.00 H new ATOM 0 HG SER A 110 17.361 -1.276 5.487 1.00 0.00 H new ATOM 1712 N PRO A 111 13.012 -2.721 3.054 1.00 0.00 N ATOM 1713 CA PRO A 111 11.995 -3.718 2.678 1.00 0.00 C ATOM 1714 C PRO A 111 11.921 -4.905 3.643 1.00 0.00 C ATOM 1715 O PRO A 111 10.849 -5.245 4.140 1.00 0.00 O ATOM 1716 CB PRO A 111 12.436 -4.188 1.281 1.00 0.00 C ATOM 1717 CG PRO A 111 13.758 -3.539 1.020 1.00 0.00 C ATOM 1718 CD PRO A 111 13.813 -2.320 1.894 1.00 0.00 C ATOM 0 HA PRO A 111 10.996 -3.284 2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.522 -5.274 1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.705 -3.901 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.577 -4.220 1.252 1.00 0.00 H new ATOM 0 HG3 PRO A 111 13.856 -3.268 -0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.836 -2.069 2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.395 -1.445 1.396 1.00 0.00 H new ATOM 1726 N GLU A 112 13.063 -5.512 3.932 1.00 0.00 N ATOM 1727 CA GLU A 112 13.099 -6.698 4.785 1.00 0.00 C ATOM 1728 C GLU A 112 12.798 -6.346 6.241 1.00 0.00 C ATOM 1729 O GLU A 112 12.331 -7.187 7.008 1.00 0.00 O ATOM 1730 CB GLU A 112 14.458 -7.391 4.667 1.00 0.00 C ATOM 1731 CG GLU A 112 15.634 -6.492 5.015 1.00 0.00 C ATOM 1732 CD GLU A 112 16.968 -7.151 4.749 1.00 0.00 C ATOM 1733 OE1 GLU A 112 17.408 -7.971 5.577 1.00 0.00 O ATOM 1734 OE2 GLU A 112 17.589 -6.850 3.706 1.00 0.00 O ATOM 0 H GLU A 112 13.975 -5.207 3.592 1.00 0.00 H new ATOM 0 HA GLU A 112 12.323 -7.384 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 112 14.470 -8.261 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 112 14.582 -7.758 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.566 -5.571 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.574 -6.213 6.067 1.00 0.00 H new ATOM 1741 N GLU A 113 13.056 -5.098 6.616 1.00 0.00 N ATOM 1742 CA GLU A 113 12.755 -4.629 7.962 1.00 0.00 C ATOM 1743 C GLU A 113 11.249 -4.439 8.124 1.00 0.00 C ATOM 1744 O GLU A 113 10.687 -4.741 9.171 1.00 0.00 O ATOM 1745 CB GLU A 113 13.476 -3.308 8.249 1.00 0.00 C ATOM 1746 CG GLU A 113 14.979 -3.350 8.007 1.00 0.00 C ATOM 1747 CD GLU A 113 15.693 -4.363 8.876 1.00 0.00 C ATOM 1748 OE1 GLU A 113 15.862 -4.104 10.088 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.111 -5.414 8.349 1.00 0.00 O ATOM 0 H GLU A 113 13.473 -4.394 6.007 1.00 0.00 H new ATOM 0 HA GLU A 113 13.104 -5.378 8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.041 -2.527 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.294 -3.026 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.166 -3.584 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.399 -2.361 8.193 1.00 0.00 H new ATOM 1756 N ALA A 114 10.605 -3.962 7.058 1.00 0.00 N ATOM 1757 CA ALA A 114 9.165 -3.696 7.056 1.00 0.00 C ATOM 1758 C ALA A 114 8.358 -4.937 7.420 1.00 0.00 C ATOM 1759 O ALA A 114 7.333 -4.848 8.093 1.00 0.00 O ATOM 1760 CB ALA A 114 8.732 -3.171 5.692 1.00 0.00 C ATOM 0 H ALA A 114 11.065 -3.749 6.173 1.00 0.00 H new ATOM 0 HA ALA A 114 8.968 -2.940 7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.660 -2.976 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.267 -2.247 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 114 8.960 -3.914 4.927 1.00 0.00 H new ATOM 1766 N LEU A 115 8.840 -6.096 6.998 1.00 0.00 N ATOM 1767 CA LEU A 115 8.140 -7.346 7.255 1.00 0.00 C ATOM 1768 C LEU A 115 8.323 -7.803 8.694 1.00 0.00 C ATOM 1769 O LEU A 115 7.634 -8.714 9.157 1.00 0.00 O ATOM 1770 CB LEU A 115 8.594 -8.433 6.285 1.00 0.00 C ATOM 1771 CG LEU A 115 7.905 -8.394 4.923 1.00 0.00 C ATOM 1772 CD1 LEU A 115 8.317 -9.587 4.082 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.391 -8.353 5.078 1.00 0.00 C ATOM 0 H LEU A 115 9.711 -6.197 6.477 1.00 0.00 H new ATOM 0 HA LEU A 115 7.077 -7.164 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.670 -8.343 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.415 -9.407 6.741 1.00 0.00 H new ATOM 0 HG LEU A 115 8.220 -7.483 4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.816 -9.541 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.396 -9.571 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.035 -10.507 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.925 -8.326 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.056 -9.241 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.107 -7.463 5.639 1.00 0.00 H new ATOM 1785 N GLN A 116 9.246 -7.168 9.403 1.00 0.00 N ATOM 1786 CA GLN A 116 9.461 -7.455 10.813 1.00 0.00 C ATOM 1787 C GLN A 116 8.509 -6.627 11.663 1.00 0.00 C ATOM 1788 O GLN A 116 8.455 -6.769 12.885 1.00 0.00 O ATOM 1789 CB GLN A 116 10.904 -7.145 11.195 1.00 0.00 C ATOM 1790 CG GLN A 116 11.923 -7.926 10.382 1.00 0.00 C ATOM 1791 CD GLN A 116 13.352 -7.541 10.706 1.00 0.00 C ATOM 1792 OE1 GLN A 116 13.671 -7.178 11.837 1.00 0.00 O ATOM 1793 NE2 GLN A 116 14.222 -7.611 9.714 1.00 0.00 N ATOM 0 H GLN A 116 9.860 -6.448 9.022 1.00 0.00 H new ATOM 0 HA GLN A 116 9.267 -8.513 10.992 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.086 -6.078 11.064 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.048 -7.365 12.253 1.00 0.00 H new ATOM 0 HG2 GLN A 116 11.788 -8.992 10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 116 11.739 -7.760 9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.918 -7.917 8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.198 -7.359 9.873 1.00 0.00 H new ATOM 1802 N TYR A 117 7.766 -5.758 11.001 1.00 0.00 N ATOM 1803 CA TYR A 117 6.767 -4.944 11.665 1.00 0.00 C ATOM 1804 C TYR A 117 5.414 -5.635 11.574 1.00 0.00 C ATOM 1805 O TYR A 117 5.221 -6.510 10.727 1.00 0.00 O ATOM 1806 CB TYR A 117 6.684 -3.556 11.019 1.00 0.00 C ATOM 1807 CG TYR A 117 7.821 -2.625 11.382 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.108 -2.852 10.917 1.00 0.00 C ATOM 1809 CD2 TYR A 117 7.599 -1.508 12.176 1.00 0.00 C ATOM 1810 CE1 TYR A 117 10.145 -1.995 11.236 1.00 0.00 C ATOM 1811 CE2 TYR A 117 8.629 -0.647 12.501 1.00 0.00 C ATOM 1812 CZ TYR A 117 9.899 -0.894 12.028 1.00 0.00 C ATOM 1813 OH TYR A 117 10.926 -0.035 12.348 1.00 0.00 O ATOM 0 H TYR A 117 7.838 -5.598 9.996 1.00 0.00 H new ATOM 0 HA TYR A 117 7.050 -4.821 12.711 1.00 0.00 H new ATOM 0 HB2 TYR A 117 6.660 -3.674 9.936 1.00 0.00 H new ATOM 0 HB3 TYR A 117 5.743 -3.090 11.310 1.00 0.00 H new ATOM 0 HD1 TYR A 117 9.303 -3.713 10.295 1.00 0.00 H new ATOM 0 HD2 TYR A 117 6.604 -1.309 12.546 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.142 -2.187 10.867 1.00 0.00 H new ATOM 0 HE2 TYR A 117 8.440 0.215 13.123 1.00 0.00 H new ATOM 0 HH TYR A 117 10.583 0.689 12.912 1.00 0.00 H new ATOM 1823 N PRO A 118 4.462 -5.274 12.445 1.00 0.00 N ATOM 1824 CA PRO A 118 3.110 -5.819 12.377 1.00 0.00 C ATOM 1825 C PRO A 118 2.323 -5.242 11.201 1.00 0.00 C ATOM 1826 O PRO A 118 1.515 -4.331 11.364 1.00 0.00 O ATOM 1827 CB PRO A 118 2.487 -5.398 13.711 1.00 0.00 C ATOM 1828 CG PRO A 118 3.224 -4.162 14.094 1.00 0.00 C ATOM 1829 CD PRO A 118 4.626 -4.330 13.567 1.00 0.00 C ATOM 0 HA PRO A 118 3.105 -6.898 12.221 1.00 0.00 H new ATOM 0 HB2 PRO A 118 1.419 -5.207 13.607 1.00 0.00 H new ATOM 0 HB3 PRO A 118 2.600 -6.177 14.465 1.00 0.00 H new ATOM 0 HG2 PRO A 118 2.751 -3.278 13.667 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.228 -4.030 15.176 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.046 -3.381 13.235 1.00 0.00 H new ATOM 0 HD3 PRO A 118 5.297 -4.726 14.330 1.00 0.00 H new ATOM 1837 N LEU A 119 2.602 -5.752 10.012 1.00 0.00 N ATOM 1838 CA LEU A 119 1.892 -5.340 8.811 1.00 0.00 C ATOM 1839 C LEU A 119 0.575 -6.101 8.687 1.00 0.00 C ATOM 1840 O LEU A 119 0.438 -7.210 9.215 1.00 0.00 O ATOM 1841 CB LEU A 119 2.752 -5.575 7.564 1.00 0.00 C ATOM 1842 CG LEU A 119 3.978 -4.668 7.412 1.00 0.00 C ATOM 1843 CD1 LEU A 119 4.739 -5.024 6.143 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.562 -3.207 7.383 1.00 0.00 C ATOM 0 H LEU A 119 3.321 -6.458 9.852 1.00 0.00 H new ATOM 0 HA LEU A 119 1.680 -4.274 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.090 -6.611 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.122 -5.451 6.684 1.00 0.00 H new ATOM 0 HG LEU A 119 4.632 -4.823 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.608 -4.373 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.067 -6.062 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.088 -4.892 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.446 -2.579 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.890 -3.037 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.050 -2.956 8.312 1.00 0.00 H new ATOM 1856 N ALA A 120 -0.390 -5.494 8.008 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.698 -6.106 7.799 1.00 0.00 C ATOM 1858 C ALA A 120 -1.581 -7.393 6.967 1.00 0.00 C ATOM 1859 O ALA A 120 -0.583 -7.600 6.274 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.636 -5.104 7.136 1.00 0.00 C ATOM 0 H ALA A 120 -0.290 -4.570 7.589 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.113 -6.384 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.611 -5.566 6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.746 -4.229 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.223 -4.800 6.174 1.00 0.00 H new ATOM 1866 N PRO A 121 -2.608 -8.273 7.023 1.00 0.00 N ATOM 1867 CA PRO A 121 -2.576 -9.604 6.390 1.00 0.00 C ATOM 1868 C PRO A 121 -2.181 -9.586 4.913 1.00 0.00 C ATOM 1869 O PRO A 121 -1.477 -10.477 4.446 1.00 0.00 O ATOM 1870 CB PRO A 121 -4.016 -10.120 6.535 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.824 -8.946 6.976 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.881 -8.053 7.725 1.00 0.00 C ATOM 0 HA PRO A 121 -1.820 -10.228 6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.386 -10.517 5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -4.070 -10.929 7.264 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -5.257 -8.427 6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -5.652 -9.259 7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -4.192 -7.009 7.684 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -3.816 -8.325 8.779 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.626 -8.573 4.180 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.350 -8.508 2.749 1.00 0.00 C ATOM 1882 C ALA A 122 -1.087 -7.714 2.478 1.00 0.00 C ATOM 1883 O ALA A 122 -0.533 -7.770 1.382 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.518 -7.897 1.997 1.00 0.00 C ATOM 0 H ALA A 122 -3.173 -7.794 4.546 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.204 -9.528 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.286 -7.860 0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.409 -8.505 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.699 -6.887 2.364 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.631 -7.000 3.488 1.00 0.00 N ATOM 1891 CA ASP A 123 0.519 -6.121 3.355 1.00 0.00 C ATOM 1892 C ASP A 123 1.803 -6.928 3.406 1.00 0.00 C ATOM 1893 O ASP A 123 2.819 -6.542 2.826 1.00 0.00 O ATOM 1894 CB ASP A 123 0.507 -5.070 4.463 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.648 -4.091 4.318 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.817 -4.549 4.232 1.00 0.00 O ATOM 1897 OD2 ASP A 123 -0.392 -2.868 4.305 1.00 0.00 O ATOM 0 H ASP A 123 -1.043 -7.011 4.421 1.00 0.00 H new ATOM 0 HA ASP A 123 0.466 -5.613 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.440 -5.567 5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.449 -4.522 4.451 1.00 0.00 H new ATOM 1902 N ILE A 124 1.741 -8.067 4.083 1.00 0.00 N ATOM 1903 CA ILE A 124 2.878 -8.971 4.147 1.00 0.00 C ATOM 1904 C ILE A 124 3.227 -9.477 2.738 1.00 0.00 C ATOM 1905 O ILE A 124 4.312 -9.196 2.236 1.00 0.00 O ATOM 1906 CB ILE A 124 2.617 -10.165 5.100 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.302 -9.675 6.519 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.811 -11.110 5.121 1.00 0.00 C ATOM 1909 CD1 ILE A 124 3.456 -8.962 7.192 1.00 0.00 C ATOM 0 H ILE A 124 0.917 -8.385 4.594 1.00 0.00 H new ATOM 0 HA ILE A 124 3.723 -8.413 4.551 1.00 0.00 H new ATOM 0 HB ILE A 124 1.751 -10.709 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.446 -9.002 6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.008 -10.528 7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.606 -11.941 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.989 -11.494 4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.695 -10.572 5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.156 -8.646 8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.308 -9.638 7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.736 -8.088 6.604 1.00 0.00 H new ATOM 1921 N PRO A 125 2.299 -10.201 2.061 1.00 0.00 N ATOM 1922 CA PRO A 125 2.522 -10.715 0.698 1.00 0.00 C ATOM 1923 C PRO A 125 2.896 -9.624 -0.308 1.00 0.00 C ATOM 1924 O PRO A 125 3.650 -9.876 -1.248 1.00 0.00 O ATOM 1925 CB PRO A 125 1.175 -11.345 0.309 1.00 0.00 C ATOM 1926 CG PRO A 125 0.200 -10.847 1.314 1.00 0.00 C ATOM 1927 CD PRO A 125 0.979 -10.604 2.566 1.00 0.00 C ATOM 0 HA PRO A 125 3.360 -11.412 0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.882 -11.054 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.232 -12.433 0.323 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.280 -9.931 0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.591 -11.577 1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.526 -9.824 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.040 -11.500 3.184 1.00 0.00 H new ATOM 1935 N LEU A 126 2.378 -8.415 -0.109 1.00 0.00 N ATOM 1936 CA LEU A 126 2.686 -7.305 -1.006 1.00 0.00 C ATOM 1937 C LEU A 126 4.145 -6.916 -0.873 1.00 0.00 C ATOM 1938 O LEU A 126 4.820 -6.634 -1.863 1.00 0.00 O ATOM 1939 CB LEU A 126 1.802 -6.090 -0.706 1.00 0.00 C ATOM 1940 CG LEU A 126 0.330 -6.233 -1.091 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.444 -4.984 -0.701 1.00 0.00 C ATOM 1942 CD2 LEU A 126 0.191 -6.499 -2.582 1.00 0.00 C ATOM 0 H LEU A 126 1.748 -8.180 0.658 1.00 0.00 H new ATOM 0 HA LEU A 126 2.488 -7.634 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.861 -5.875 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.213 -5.226 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.086 -7.082 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.491 -5.102 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.372 -4.833 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.025 -4.120 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.864 -6.598 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.623 -5.669 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.714 -7.421 -2.837 1.00 0.00 H new ATOM 1954 N LEU A 127 4.632 -6.924 0.357 1.00 0.00 N ATOM 1955 CA LEU A 127 6.015 -6.588 0.617 1.00 0.00 C ATOM 1956 C LEU A 127 6.906 -7.732 0.169 1.00 0.00 C ATOM 1957 O LEU A 127 7.988 -7.511 -0.374 1.00 0.00 O ATOM 1958 CB LEU A 127 6.229 -6.291 2.107 1.00 0.00 C ATOM 1959 CG LEU A 127 7.510 -5.517 2.454 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.757 -6.364 2.255 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.600 -4.270 1.603 1.00 0.00 C ATOM 0 H LEU A 127 4.088 -7.160 1.187 1.00 0.00 H new ATOM 0 HA LEU A 127 6.275 -5.691 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.373 -5.723 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.239 -7.236 2.649 1.00 0.00 H new ATOM 0 HG LEU A 127 7.457 -5.246 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.640 -5.778 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.706 -7.243 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.821 -6.679 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.510 -3.724 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.622 -4.549 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.733 -3.637 1.793 1.00 0.00 H new ATOM 1973 N GLU A 128 6.436 -8.955 0.374 1.00 0.00 N ATOM 1974 CA GLU A 128 7.205 -10.131 0.011 1.00 0.00 C ATOM 1975 C GLU A 128 7.557 -10.108 -1.471 1.00 0.00 C ATOM 1976 O GLU A 128 8.668 -10.456 -1.856 1.00 0.00 O ATOM 1977 CB GLU A 128 6.437 -11.413 0.352 1.00 0.00 C ATOM 1978 CG GLU A 128 6.099 -11.550 1.830 1.00 0.00 C ATOM 1979 CD GLU A 128 5.566 -12.922 2.184 1.00 0.00 C ATOM 1980 OE1 GLU A 128 6.385 -13.846 2.361 1.00 0.00 O ATOM 1981 OE2 GLU A 128 4.332 -13.087 2.298 1.00 0.00 O ATOM 0 H GLU A 128 5.526 -9.156 0.790 1.00 0.00 H new ATOM 0 HA GLU A 128 8.129 -10.118 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.513 -11.437 -0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.030 -12.274 0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.991 -11.348 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.359 -10.797 2.100 1.00 0.00 H new ATOM 1988 N ALA A 129 6.614 -9.689 -2.304 1.00 0.00 N ATOM 1989 CA ALA A 129 6.884 -9.577 -3.729 1.00 0.00 C ATOM 1990 C ALA A 129 7.693 -8.332 -4.043 1.00 0.00 C ATOM 1991 O ALA A 129 8.408 -8.289 -5.038 1.00 0.00 O ATOM 1992 CB ALA A 129 5.610 -9.574 -4.540 1.00 0.00 C ATOM 0 H ALA A 129 5.670 -9.425 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 129 7.468 -10.454 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 129 5.853 -9.489 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.066 -10.502 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 129 4.990 -8.729 -4.241 1.00 0.00 H new ATOM 1998 N PHE A 130 7.587 -7.317 -3.201 1.00 0.00 N ATOM 1999 CA PHE A 130 8.341 -6.096 -3.411 1.00 0.00 C ATOM 2000 C PHE A 130 9.816 -6.366 -3.160 1.00 0.00 C ATOM 2001 O PHE A 130 10.679 -5.966 -3.942 1.00 0.00 O ATOM 2002 CB PHE A 130 7.836 -4.987 -2.487 1.00 0.00 C ATOM 2003 CG PHE A 130 8.496 -3.660 -2.725 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.069 -2.838 -3.752 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.547 -3.238 -1.928 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.672 -1.619 -3.980 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.154 -2.020 -2.152 1.00 0.00 C ATOM 2008 CZ PHE A 130 9.715 -1.211 -3.180 1.00 0.00 C ATOM 0 H PHE A 130 6.991 -7.315 -2.373 1.00 0.00 H new ATOM 0 HA PHE A 130 8.206 -5.765 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 130 6.760 -4.877 -2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.001 -5.285 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.252 -3.155 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 130 9.895 -3.869 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.327 -0.986 -4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 130 10.972 -1.700 -1.524 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.190 -0.257 -3.357 1.00 0.00 H new ATOM 2018 N MET A 131 10.097 -7.064 -2.066 1.00 0.00 N ATOM 2019 CA MET A 131 11.455 -7.471 -1.757 1.00 0.00 C ATOM 2020 C MET A 131 11.917 -8.526 -2.758 1.00 0.00 C ATOM 2021 O MET A 131 13.094 -8.571 -3.113 1.00 0.00 O ATOM 2022 CB MET A 131 11.567 -7.978 -0.311 1.00 0.00 C ATOM 2023 CG MET A 131 10.839 -9.287 -0.042 1.00 0.00 C ATOM 2024 SD MET A 131 10.864 -9.760 1.698 1.00 0.00 S ATOM 2025 CE MET A 131 12.626 -9.885 1.994 1.00 0.00 C ATOM 0 H MET A 131 9.401 -7.358 -1.381 1.00 0.00 H new ATOM 0 HA MET A 131 12.110 -6.604 -1.841 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.621 -8.106 -0.065 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.174 -7.214 0.360 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.805 -9.196 -0.374 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.296 -10.079 -0.635 1.00 0.00 H new ATOM 0 HE1 MET A 131 12.802 -10.450 2.910 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.100 -10.396 1.156 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.049 -8.886 2.097 1.00 0.00 H new ATOM 2035 N ALA A 132 10.989 -9.369 -3.224 1.00 0.00 N ATOM 2036 CA ALA A 132 11.268 -10.292 -4.318 1.00 0.00 C ATOM 2037 C ALA A 132 11.711 -9.540 -5.565 1.00 0.00 C ATOM 2038 O ALA A 132 12.670 -9.929 -6.230 1.00 0.00 O ATOM 2039 CB ALA A 132 10.031 -11.131 -4.626 1.00 0.00 C ATOM 0 H ALA A 132 10.039 -9.427 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 132 12.079 -10.951 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.251 -11.817 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.748 -11.701 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.209 -10.475 -4.913 1.00 0.00 H new ATOM 2045 N LEU A 133 11.023 -8.445 -5.862 1.00 0.00 N ATOM 2046 CA LEU A 133 11.325 -7.641 -7.033 1.00 0.00 C ATOM 2047 C LEU A 133 12.712 -7.031 -6.922 1.00 0.00 C ATOM 2048 O LEU A 133 13.471 -7.018 -7.886 1.00 0.00 O ATOM 2049 CB LEU A 133 10.283 -6.532 -7.205 1.00 0.00 C ATOM 2050 CG LEU A 133 9.308 -6.727 -8.368 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.494 -8.001 -8.191 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.389 -5.523 -8.498 1.00 0.00 C ATOM 0 H LEU A 133 10.247 -8.094 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 133 11.297 -8.292 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.710 -6.448 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.804 -5.585 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 133 9.890 -6.823 -9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.809 -8.115 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.165 -8.859 -8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 133 7.924 -7.943 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.702 -5.678 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.821 -5.398 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.985 -4.629 -8.681 1.00 0.00 H new ATOM 2064 N ARG A 134 13.043 -6.537 -5.740 1.00 0.00 N ATOM 2065 CA ARG A 134 14.335 -5.904 -5.520 1.00 0.00 C ATOM 2066 C ARG A 134 15.468 -6.928 -5.473 1.00 0.00 C ATOM 2067 O ARG A 134 16.627 -6.582 -5.702 1.00 0.00 O ATOM 2068 CB ARG A 134 14.321 -5.085 -4.228 1.00 0.00 C ATOM 2069 CG ARG A 134 13.461 -3.834 -4.304 1.00 0.00 C ATOM 2070 CD ARG A 134 13.544 -3.022 -3.018 1.00 0.00 C ATOM 2071 NE ARG A 134 14.933 -2.775 -2.619 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.547 -1.596 -2.714 1.00 0.00 C ATOM 2073 NH1 ARG A 134 14.877 -0.506 -3.056 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.834 -1.496 -2.414 1.00 0.00 N ATOM 0 H ARG A 134 12.437 -6.561 -4.920 1.00 0.00 H new ATOM 0 HA ARG A 134 14.516 -5.239 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 134 13.960 -5.714 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.343 -4.798 -3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 134 13.783 -3.220 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.425 -4.114 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 134 13.030 -2.070 -3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.025 -3.552 -2.219 1.00 0.00 H new ATOM 0 HE ARG A 134 15.466 -3.559 -2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 134 13.877 -0.562 -3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 134 15.361 0.389 -3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.353 -2.320 -2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 134 17.306 -0.595 -2.486 1.00 0.00 H new ATOM 2088 N ALA A 135 15.137 -8.181 -5.184 1.00 0.00 N ATOM 2089 CA ALA A 135 16.152 -9.224 -5.063 1.00 0.00 C ATOM 2090 C ALA A 135 16.376 -9.946 -6.388 1.00 0.00 C ATOM 2091 O ALA A 135 17.512 -10.260 -6.748 1.00 0.00 O ATOM 2092 CB ALA A 135 15.761 -10.220 -3.981 1.00 0.00 C ATOM 0 H ALA A 135 14.180 -8.500 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 135 17.089 -8.743 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.527 -10.991 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.668 -9.702 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.807 -10.681 -4.238 1.00 0.00 H new ATOM 2098 N ALA A 136 15.297 -10.199 -7.116 1.00 0.00 N ATOM 2099 CA ALA A 136 15.383 -10.913 -8.386 1.00 0.00 C ATOM 2100 C ALA A 136 15.598 -9.949 -9.545 1.00 0.00 C ATOM 2101 O ALA A 136 16.248 -10.293 -10.532 1.00 0.00 O ATOM 2102 CB ALA A 136 14.127 -11.740 -8.612 1.00 0.00 C ATOM 0 H ALA A 136 14.352 -9.921 -6.851 1.00 0.00 H new ATOM 0 HA ALA A 136 16.243 -11.582 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.205 -12.267 -9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 136 14.017 -12.463 -7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.257 -11.083 -8.631 1.00 0.00 H new