USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 17 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.1) USER MOD Single : A 18 GLN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.874 USER MOD Single : A 35 SER OG : rot 180:sc= -0.161 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 154:sc=-0.00513 (180deg=-0.515) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 61 ASN :FLIP amide:sc= 0.37 F(o=-2!,f=0.37) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc=-0.00648 (180deg=-0.126) USER MOD Single : A 74 THR OG1 : rot 91:sc= -0.316 USER MOD Single : A 77 TYR OH : rot 102:sc= 1.32 USER MOD Single : A 78 THR OG1 : rot -74:sc= 0.0947 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 50:sc= 1.03 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 -10.728 30.010 2.693 1.00 0.00 N ATOM 81 CA PRO A 9 -9.704 28.993 2.435 1.00 0.00 C ATOM 82 C PRO A 9 -9.870 28.338 1.068 1.00 0.00 C ATOM 83 O PRO A 9 -10.968 27.925 0.696 1.00 0.00 O ATOM 84 CB PRO A 9 -9.933 27.969 3.550 1.00 0.00 C ATOM 85 CG PRO A 9 -11.365 28.131 3.925 1.00 0.00 C ATOM 86 CD PRO A 9 -11.682 29.588 3.733 1.00 0.00 C ATOM 0 HA PRO A 9 -8.700 29.418 2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.726 26.956 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.277 28.157 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.005 27.507 3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.534 27.828 4.958 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.714 29.736 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.548 30.154 4.655 1.00 0.00 H new ATOM 94 N VAL A 10 -8.772 28.246 0.325 1.00 0.00 N ATOM 95 CA VAL A 10 -8.795 27.639 -1.001 1.00 0.00 C ATOM 96 C VAL A 10 -7.572 26.757 -1.223 1.00 0.00 C ATOM 97 O VAL A 10 -6.436 27.231 -1.179 1.00 0.00 O ATOM 98 CB VAL A 10 -8.851 28.709 -2.107 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.475 29.320 -2.328 1.00 0.00 C ATOM 100 CG2 VAL A 10 -9.392 28.114 -3.398 1.00 0.00 C ATOM 0 H VAL A 10 -7.855 28.584 0.618 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.695 27.026 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.528 29.501 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.534 30.074 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.130 29.784 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.774 28.540 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.424 28.885 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.743 27.302 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.397 27.729 -3.228 1.00 0.00 H new ATOM 110 N ILE A 11 -7.812 25.472 -1.463 1.00 0.00 N ATOM 111 CA ILE A 11 -6.729 24.524 -1.694 1.00 0.00 C ATOM 112 C ILE A 11 -6.209 24.621 -3.124 1.00 0.00 C ATOM 113 O ILE A 11 -6.864 24.173 -4.065 1.00 0.00 O ATOM 114 CB ILE A 11 -7.180 23.077 -1.421 1.00 0.00 C ATOM 115 CG1 ILE A 11 -7.517 22.896 0.061 1.00 0.00 C ATOM 116 CG2 ILE A 11 -6.099 22.095 -1.847 1.00 0.00 C ATOM 117 CD1 ILE A 11 -8.566 21.836 0.317 1.00 0.00 C ATOM 0 H ILE A 11 -8.746 25.064 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.929 24.784 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.077 22.876 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.608 22.634 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.866 23.846 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.433 21.077 -1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.902 22.210 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.186 22.294 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.755 21.762 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.489 22.106 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.211 20.875 -0.056 1.00 0.00 H new ATOM 129 N ARG A 12 -5.027 25.207 -3.279 1.00 0.00 N ATOM 130 CA ARG A 12 -4.418 25.362 -4.595 1.00 0.00 C ATOM 131 C ARG A 12 -3.926 24.020 -5.128 1.00 0.00 C ATOM 132 O ARG A 12 -4.251 23.631 -6.250 1.00 0.00 O ATOM 133 CB ARG A 12 -3.255 26.354 -4.529 1.00 0.00 C ATOM 134 CG ARG A 12 -3.599 27.649 -3.812 1.00 0.00 C ATOM 135 CD ARG A 12 -4.261 28.646 -4.750 1.00 0.00 C ATOM 136 NE ARG A 12 -3.359 29.080 -5.813 1.00 0.00 N ATOM 137 CZ ARG A 12 -3.688 29.978 -6.735 1.00 0.00 C ATOM 138 NH1 ARG A 12 -4.891 30.535 -6.724 1.00 0.00 N ATOM 139 NH2 ARG A 12 -2.812 30.321 -7.671 1.00 0.00 N ATOM 0 H ARG A 12 -4.472 25.582 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.177 25.747 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.413 25.881 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.928 26.586 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.265 27.437 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.692 28.087 -3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.150 28.194 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.594 29.514 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.425 28.671 -5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.567 30.274 -6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.140 31.224 -7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.885 29.895 -7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.065 31.011 -8.379 1.00 0.00 H new ATOM 153 N GLN A 13 -3.141 23.318 -4.317 1.00 0.00 N ATOM 154 CA GLN A 13 -2.604 22.021 -4.709 1.00 0.00 C ATOM 155 C GLN A 13 -3.120 20.918 -3.790 1.00 0.00 C ATOM 156 O GLN A 13 -2.439 20.508 -2.851 1.00 0.00 O ATOM 157 CB GLN A 13 -1.075 22.049 -4.682 1.00 0.00 C ATOM 158 CG GLN A 13 -0.435 20.740 -5.114 1.00 0.00 C ATOM 159 CD GLN A 13 -0.900 20.287 -6.484 1.00 0.00 C ATOM 160 OE1 GLN A 13 -0.552 20.887 -7.501 1.00 0.00 O ATOM 161 NE2 GLN A 13 -1.692 19.222 -6.518 1.00 0.00 N ATOM 0 H GLN A 13 -2.863 23.626 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.939 21.809 -5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.723 22.848 -5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.742 22.291 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.649 20.855 -5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.668 19.967 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.956 18.755 -5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.037 18.871 -7.412 1.00 0.00 H new ATOM 170 N GLY A 14 -4.331 20.442 -4.067 1.00 0.00 N ATOM 171 CA GLY A 14 -4.918 19.392 -3.256 1.00 0.00 C ATOM 172 C GLY A 14 -4.602 18.006 -3.783 1.00 0.00 C ATOM 173 O GLY A 14 -4.035 17.845 -4.864 1.00 0.00 O ATOM 0 H GLY A 14 -4.915 20.765 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.552 19.480 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.999 19.526 -3.221 1.00 0.00 H new ATOM 177 N PRO A 15 -4.971 16.975 -3.009 1.00 0.00 N ATOM 178 CA PRO A 15 -4.732 15.578 -3.383 1.00 0.00 C ATOM 179 C PRO A 15 -5.601 15.136 -4.556 1.00 0.00 C ATOM 180 O PRO A 15 -6.421 15.904 -5.058 1.00 0.00 O ATOM 181 CB PRO A 15 -5.106 14.803 -2.118 1.00 0.00 C ATOM 182 CG PRO A 15 -6.075 15.683 -1.407 1.00 0.00 C ATOM 183 CD PRO A 15 -5.651 17.094 -1.708 1.00 0.00 C ATOM 0 HA PRO A 15 -3.706 15.413 -3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.552 13.839 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.229 14.602 -1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.093 15.500 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.061 15.492 -0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.506 17.768 -1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.984 17.486 -0.940 1.00 0.00 H new ATOM 191 N VAL A 16 -5.416 13.892 -4.987 1.00 0.00 N ATOM 192 CA VAL A 16 -6.184 13.347 -6.100 1.00 0.00 C ATOM 193 C VAL A 16 -6.446 11.857 -5.909 1.00 0.00 C ATOM 194 O VAL A 16 -5.991 11.256 -4.937 1.00 0.00 O ATOM 195 CB VAL A 16 -5.459 13.562 -7.442 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.201 15.042 -7.678 1.00 0.00 C ATOM 197 CG2 VAL A 16 -4.158 12.774 -7.476 1.00 0.00 C ATOM 0 H VAL A 16 -4.741 13.243 -4.582 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.134 13.881 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.100 13.197 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.688 15.175 -8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.150 15.578 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.580 15.436 -6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.659 12.937 -8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.509 13.107 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.373 11.712 -7.356 1.00 0.00 H new ATOM 207 N ASN A 17 -7.182 11.267 -6.845 1.00 0.00 N ATOM 208 CA ASN A 17 -7.505 9.846 -6.781 1.00 0.00 C ATOM 209 C ASN A 17 -6.300 8.996 -7.174 1.00 0.00 C ATOM 210 O ASN A 17 -5.612 9.293 -8.150 1.00 0.00 O ATOM 211 CB ASN A 17 -8.688 9.528 -7.697 1.00 0.00 C ATOM 212 CG ASN A 17 -8.566 10.196 -9.053 1.00 0.00 C ATOM 213 OD1 ASN A 17 -8.968 11.346 -9.229 1.00 0.00 O ATOM 214 ND2 ASN A 17 -8.008 9.475 -10.019 1.00 0.00 N ATOM 0 H ASN A 17 -7.566 11.751 -7.657 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.776 9.607 -5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.759 8.449 -7.832 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.612 9.851 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.898 9.871 -10.953 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.689 8.525 -9.827 1.00 0.00 H new ATOM 221 N GLN A 18 -6.054 7.938 -6.408 1.00 0.00 N ATOM 222 CA GLN A 18 -4.933 7.045 -6.677 1.00 0.00 C ATOM 223 C GLN A 18 -5.304 5.598 -6.372 1.00 0.00 C ATOM 224 O GLN A 18 -6.242 5.331 -5.619 1.00 0.00 O ATOM 225 CB GLN A 18 -3.715 7.458 -5.848 1.00 0.00 C ATOM 226 CG GLN A 18 -2.876 8.545 -6.499 1.00 0.00 C ATOM 227 CD GLN A 18 -1.747 9.024 -5.607 1.00 0.00 C ATOM 228 OE1 GLN A 18 -0.590 9.077 -6.024 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.079 9.377 -4.370 1.00 0.00 N ATOM 0 H GLN A 18 -6.615 7.678 -5.597 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.686 7.121 -7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.052 7.806 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.089 6.582 -5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.461 8.167 -7.433 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.516 9.390 -6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.051 9.317 -4.066 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.362 9.708 -3.724 1.00 0.00 H new ATOM 238 N THR A 19 -4.563 4.665 -6.961 1.00 0.00 N ATOM 239 CA THR A 19 -4.815 3.245 -6.754 1.00 0.00 C ATOM 240 C THR A 19 -3.609 2.559 -6.122 1.00 0.00 C ATOM 241 O THR A 19 -2.492 2.651 -6.631 1.00 0.00 O ATOM 242 CB THR A 19 -5.159 2.536 -8.077 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.184 3.259 -8.768 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.621 1.109 -7.823 1.00 0.00 C ATOM 0 H THR A 19 -3.783 4.868 -7.586 1.00 0.00 H new ATOM 0 HA THR A 19 -5.667 3.171 -6.079 1.00 0.00 H new ATOM 0 HB THR A 19 -4.259 2.505 -8.691 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.396 2.803 -9.609 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.858 0.629 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.828 0.553 -7.324 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.509 1.121 -7.191 1.00 0.00 H new ATOM 252 N VAL A 20 -3.842 1.870 -5.009 1.00 0.00 N ATOM 253 CA VAL A 20 -2.774 1.166 -4.309 1.00 0.00 C ATOM 254 C VAL A 20 -3.184 -0.265 -3.978 1.00 0.00 C ATOM 255 O VAL A 20 -4.366 -0.557 -3.799 1.00 0.00 O ATOM 256 CB VAL A 20 -2.384 1.891 -3.007 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.564 0.976 -2.111 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.622 3.170 -3.317 1.00 0.00 C ATOM 0 H VAL A 20 -4.760 1.784 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.914 1.149 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.296 2.159 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.298 1.506 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.150 0.091 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.656 0.674 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.355 3.669 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.716 2.928 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.249 3.831 -3.916 1.00 0.00 H new ATOM 268 N ALA A 21 -2.198 -1.153 -3.897 1.00 0.00 N ATOM 269 CA ALA A 21 -2.456 -2.553 -3.585 1.00 0.00 C ATOM 270 C ALA A 21 -2.458 -2.788 -2.078 1.00 0.00 C ATOM 271 O ALA A 21 -1.833 -2.044 -1.322 1.00 0.00 O ATOM 272 CB ALA A 21 -1.421 -3.443 -4.258 1.00 0.00 C ATOM 0 H ALA A 21 -1.214 -0.927 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.444 -2.809 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.626 -4.486 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.469 -3.304 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.426 -3.177 -3.902 1.00 0.00 H new ATOM 278 N VAL A 22 -3.166 -3.827 -1.647 1.00 0.00 N ATOM 279 CA VAL A 22 -3.250 -4.161 -0.230 1.00 0.00 C ATOM 280 C VAL A 22 -1.881 -4.079 0.436 1.00 0.00 C ATOM 281 O VAL A 22 -0.857 -4.348 -0.192 1.00 0.00 O ATOM 282 CB VAL A 22 -3.828 -5.573 -0.019 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.540 -6.062 1.393 1.00 0.00 C ATOM 284 CG2 VAL A 22 -5.322 -5.585 -0.302 1.00 0.00 C ATOM 0 H VAL A 22 -3.690 -4.452 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.918 -3.431 0.228 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.344 -6.253 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.956 -7.061 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.462 -6.093 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.995 -5.382 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.713 -6.591 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.826 -4.892 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.499 -5.281 -1.334 1.00 0.00 H new ATOM 294 N ASP A 23 -1.870 -3.705 1.710 1.00 0.00 N ATOM 295 CA ASP A 23 -0.627 -3.589 2.463 1.00 0.00 C ATOM 296 C ASP A 23 0.408 -2.786 1.681 1.00 0.00 C ATOM 297 O ASP A 23 1.612 -2.949 1.876 1.00 0.00 O ATOM 298 CB ASP A 23 -0.072 -4.976 2.791 1.00 0.00 C ATOM 299 CG ASP A 23 0.755 -4.984 4.061 1.00 0.00 C ATOM 300 OD1 ASP A 23 1.972 -4.715 3.979 1.00 0.00 O ATOM 301 OD2 ASP A 23 0.185 -5.257 5.138 1.00 0.00 O ATOM 0 H ASP A 23 -2.709 -3.477 2.244 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.842 -3.064 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.898 -5.679 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.541 -5.325 1.960 1.00 0.00 H new ATOM 306 N GLY A 24 -0.070 -1.917 0.795 1.00 0.00 N ATOM 307 CA GLY A 24 0.827 -1.103 -0.004 1.00 0.00 C ATOM 308 C GLY A 24 1.241 0.171 0.707 1.00 0.00 C ATOM 309 O GLY A 24 1.459 0.172 1.919 1.00 0.00 O ATOM 0 H GLY A 24 -1.062 -1.762 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.716 -1.683 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.340 -0.848 -0.946 1.00 0.00 H new ATOM 313 N THR A 25 1.351 1.259 -0.049 1.00 0.00 N ATOM 314 CA THR A 25 1.745 2.544 0.515 1.00 0.00 C ATOM 315 C THR A 25 1.200 3.700 -0.317 1.00 0.00 C ATOM 316 O THR A 25 1.567 3.867 -1.480 1.00 0.00 O ATOM 317 CB THR A 25 3.277 2.671 0.609 1.00 0.00 C ATOM 318 OG1 THR A 25 3.847 1.427 1.030 1.00 0.00 O ATOM 319 CG2 THR A 25 3.670 3.771 1.584 1.00 0.00 C ATOM 0 H THR A 25 1.173 1.276 -1.053 1.00 0.00 H new ATOM 0 HA THR A 25 1.322 2.591 1.519 1.00 0.00 H new ATOM 0 HB THR A 25 3.659 2.929 -0.379 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.821 1.516 1.086 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.757 3.842 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.259 4.722 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.276 3.538 2.573 1.00 0.00 H new ATOM 327 N PHE A 26 0.323 4.495 0.286 1.00 0.00 N ATOM 328 CA PHE A 26 -0.273 5.635 -0.400 1.00 0.00 C ATOM 329 C PHE A 26 -0.197 6.891 0.464 1.00 0.00 C ATOM 330 O PHE A 26 -0.433 6.842 1.672 1.00 0.00 O ATOM 331 CB PHE A 26 -1.730 5.337 -0.760 1.00 0.00 C ATOM 332 CG PHE A 26 -2.664 5.414 0.413 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.881 4.306 1.216 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.326 6.594 0.713 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.742 4.374 2.296 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.187 6.668 1.792 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.394 5.556 2.585 1.00 0.00 C ATOM 0 H PHE A 26 0.009 4.371 1.249 1.00 0.00 H new ATOM 0 HA PHE A 26 0.291 5.811 -1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.059 6.042 -1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.791 4.341 -1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.372 3.379 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.167 7.466 0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.904 3.503 2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.697 7.594 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.065 5.611 3.430 1.00 0.00 H new ATOM 347 N VAL A 27 0.134 8.015 -0.163 1.00 0.00 N ATOM 348 CA VAL A 27 0.241 9.284 0.548 1.00 0.00 C ATOM 349 C VAL A 27 -0.602 10.362 -0.124 1.00 0.00 C ATOM 350 O VAL A 27 -0.870 10.299 -1.324 1.00 0.00 O ATOM 351 CB VAL A 27 1.702 9.763 0.623 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.310 9.846 -0.769 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.786 11.107 1.331 1.00 0.00 C ATOM 0 H VAL A 27 0.333 8.073 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.130 9.114 1.559 1.00 0.00 H new ATOM 0 HB VAL A 27 2.274 9.037 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.343 10.186 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.285 8.862 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.739 10.550 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.826 11.431 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.199 11.844 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.393 11.010 2.343 1.00 0.00 H new ATOM 363 N LEU A 28 -1.019 11.352 0.658 1.00 0.00 N ATOM 364 CA LEU A 28 -1.832 12.446 0.140 1.00 0.00 C ATOM 365 C LEU A 28 -1.374 13.784 0.712 1.00 0.00 C ATOM 366 O LEU A 28 -1.055 13.887 1.897 1.00 0.00 O ATOM 367 CB LEU A 28 -3.307 12.214 0.473 1.00 0.00 C ATOM 368 CG LEU A 28 -3.855 10.822 0.159 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.042 10.501 1.055 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.248 10.721 -1.307 1.00 0.00 C ATOM 0 H LEU A 28 -0.807 11.419 1.653 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.710 12.474 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.454 12.409 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.901 12.948 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.070 10.091 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.419 9.506 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.729 10.530 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.830 11.236 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.636 9.723 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.016 11.462 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.374 10.906 -1.932 1.00 0.00 H new ATOM 382 N SER A 29 -1.345 14.806 -0.137 1.00 0.00 N ATOM 383 CA SER A 29 -0.924 16.138 0.284 1.00 0.00 C ATOM 384 C SER A 29 -2.025 17.162 0.027 1.00 0.00 C ATOM 385 O SER A 29 -2.740 17.084 -0.973 1.00 0.00 O ATOM 386 CB SER A 29 0.352 16.549 -0.452 1.00 0.00 C ATOM 387 OG SER A 29 0.440 17.958 -0.574 1.00 0.00 O ATOM 0 H SER A 29 -1.608 14.738 -1.120 1.00 0.00 H new ATOM 0 HA SER A 29 -0.723 16.107 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.222 16.172 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.367 16.094 -1.442 1.00 0.00 H new ATOM 0 HG SER A 29 1.265 18.195 -1.047 1.00 0.00 H new ATOM 393 N CYS A 30 -2.156 18.122 0.936 1.00 0.00 N ATOM 394 CA CYS A 30 -3.169 19.162 0.810 1.00 0.00 C ATOM 395 C CYS A 30 -2.584 20.534 1.135 1.00 0.00 C ATOM 396 O CYS A 30 -2.133 20.779 2.254 1.00 0.00 O ATOM 397 CB CYS A 30 -4.351 18.868 1.736 1.00 0.00 C ATOM 398 SG CYS A 30 -5.588 20.203 1.811 1.00 0.00 S ATOM 0 H CYS A 30 -1.572 18.201 1.769 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.518 19.170 -0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.840 17.952 1.403 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.973 18.681 2.741 1.00 0.00 H new ATOM 403 N VAL A 31 -2.595 21.424 0.148 1.00 0.00 N ATOM 404 CA VAL A 31 -2.067 22.771 0.328 1.00 0.00 C ATOM 405 C VAL A 31 -3.180 23.811 0.261 1.00 0.00 C ATOM 406 O VAL A 31 -3.949 23.851 -0.699 1.00 0.00 O ATOM 407 CB VAL A 31 -1.003 23.104 -0.735 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.389 24.470 -0.467 1.00 0.00 C ATOM 409 CG2 VAL A 31 0.069 22.026 -0.771 1.00 0.00 C ATOM 0 H VAL A 31 -2.964 21.237 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.605 22.801 1.315 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.487 23.136 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.360 24.688 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.168 25.231 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.082 24.471 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.812 22.277 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.551 21.960 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.388 21.067 -1.016 1.00 0.00 H new ATOM 419 N ALA A 32 -3.258 24.653 1.286 1.00 0.00 N ATOM 420 CA ALA A 32 -4.275 25.696 1.342 1.00 0.00 C ATOM 421 C ALA A 32 -3.694 27.002 1.873 1.00 0.00 C ATOM 422 O ALA A 32 -2.663 27.007 2.547 1.00 0.00 O ATOM 423 CB ALA A 32 -5.444 25.247 2.207 1.00 0.00 C ATOM 0 H ALA A 32 -2.629 24.633 2.089 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.634 25.874 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.196 26.035 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.884 24.344 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.091 25.040 3.217 1.00 0.00 H new ATOM 429 N THR A 33 -4.360 28.110 1.563 1.00 0.00 N ATOM 430 CA THR A 33 -3.908 29.423 2.006 1.00 0.00 C ATOM 431 C THR A 33 -4.881 30.028 3.011 1.00 0.00 C ATOM 432 O THR A 33 -5.972 29.503 3.228 1.00 0.00 O ATOM 433 CB THR A 33 -3.744 30.391 0.820 1.00 0.00 C ATOM 434 OG1 THR A 33 -4.056 31.727 1.231 1.00 0.00 O ATOM 435 CG2 THR A 33 -4.647 29.988 -0.337 1.00 0.00 C ATOM 0 H THR A 33 -5.215 28.124 1.007 1.00 0.00 H new ATOM 0 HA THR A 33 -2.939 29.279 2.483 1.00 0.00 H new ATOM 0 HB THR A 33 -2.708 30.347 0.485 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.948 32.337 0.471 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.514 30.687 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.388 28.982 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.687 30.006 -0.011 1.00 0.00 H new ATOM 443 N GLY A 34 -4.479 31.139 3.622 1.00 0.00 N ATOM 444 CA GLY A 34 -5.328 31.798 4.597 1.00 0.00 C ATOM 445 C GLY A 34 -4.646 31.966 5.941 1.00 0.00 C ATOM 446 O GLY A 34 -3.946 31.066 6.405 1.00 0.00 O ATOM 0 H GLY A 34 -3.581 31.594 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.621 32.777 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.243 31.220 4.727 1.00 0.00 H new ATOM 450 N SER A 35 -4.851 33.120 6.566 1.00 0.00 N ATOM 451 CA SER A 35 -4.246 33.405 7.862 1.00 0.00 C ATOM 452 C SER A 35 -5.318 33.656 8.919 1.00 0.00 C ATOM 453 O SER A 35 -6.315 34.337 8.679 1.00 0.00 O ATOM 454 CB SER A 35 -3.320 34.619 7.761 1.00 0.00 C ATOM 455 OG SER A 35 -2.762 34.941 9.024 1.00 0.00 O ATOM 0 H SER A 35 -5.431 33.873 6.196 1.00 0.00 H new ATOM 0 HA SER A 35 -3.662 32.535 8.161 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.521 34.413 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.876 35.474 7.377 1.00 0.00 H new ATOM 0 HG SER A 35 -2.173 35.719 8.933 1.00 0.00 H new ATOM 461 N PRO A 36 -5.109 33.091 10.118 1.00 0.00 N ATOM 462 CA PRO A 36 -3.927 32.277 10.414 1.00 0.00 C ATOM 463 C PRO A 36 -3.943 30.941 9.679 1.00 0.00 C ATOM 464 O PRO A 36 -5.003 30.440 9.305 1.00 0.00 O ATOM 465 CB PRO A 36 -4.018 32.056 11.926 1.00 0.00 C ATOM 466 CG PRO A 36 -5.469 32.187 12.241 1.00 0.00 C ATOM 467 CD PRO A 36 -6.012 33.204 11.275 1.00 0.00 C ATOM 0 HA PRO A 36 -3.006 32.765 10.095 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.639 31.073 12.206 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.427 32.792 12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.980 31.231 12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.617 32.510 13.272 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.045 32.987 11.002 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.999 34.208 11.699 1.00 0.00 H new ATOM 475 N VAL A 37 -2.761 30.369 9.475 1.00 0.00 N ATOM 476 CA VAL A 37 -2.639 29.090 8.785 1.00 0.00 C ATOM 477 C VAL A 37 -3.804 28.169 9.128 1.00 0.00 C ATOM 478 O VAL A 37 -4.168 27.993 10.291 1.00 0.00 O ATOM 479 CB VAL A 37 -1.318 28.384 9.142 1.00 0.00 C ATOM 480 CG1 VAL A 37 -1.232 27.031 8.452 1.00 0.00 C ATOM 481 CG2 VAL A 37 -0.130 29.257 8.769 1.00 0.00 C ATOM 0 H VAL A 37 -1.874 30.771 9.778 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.650 29.303 7.716 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.295 28.218 10.219 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.292 26.547 8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.065 26.405 8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.278 27.170 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.795 28.742 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.147 29.456 7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.186 30.200 9.314 1.00 0.00 H new ATOM 491 N PRO A 38 -4.405 27.564 8.092 1.00 0.00 N ATOM 492 CA PRO A 38 -5.537 26.648 8.258 1.00 0.00 C ATOM 493 C PRO A 38 -5.129 25.334 8.915 1.00 0.00 C ATOM 494 O PRO A 38 -3.946 24.995 8.968 1.00 0.00 O ATOM 495 CB PRO A 38 -6.010 26.404 6.823 1.00 0.00 C ATOM 496 CG PRO A 38 -4.805 26.648 5.981 1.00 0.00 C ATOM 497 CD PRO A 38 -4.024 27.727 6.679 1.00 0.00 C ATOM 0 HA PRO A 38 -6.305 27.064 8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.382 25.387 6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.824 27.077 6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.210 25.740 5.878 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.088 26.959 4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.951 27.603 6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.283 28.717 6.304 1.00 0.00 H new ATOM 505 N THR A 39 -6.115 24.596 9.416 1.00 0.00 N ATOM 506 CA THR A 39 -5.859 23.320 10.070 1.00 0.00 C ATOM 507 C THR A 39 -6.051 22.158 9.102 1.00 0.00 C ATOM 508 O THR A 39 -7.149 21.938 8.591 1.00 0.00 O ATOM 509 CB THR A 39 -6.781 23.117 11.287 1.00 0.00 C ATOM 510 OG1 THR A 39 -6.699 24.251 12.158 1.00 0.00 O ATOM 511 CG2 THR A 39 -6.400 21.857 12.050 1.00 0.00 C ATOM 0 H THR A 39 -7.099 24.861 9.381 1.00 0.00 H new ATOM 0 HA THR A 39 -4.823 23.341 10.408 1.00 0.00 H new ATOM 0 HB THR A 39 -7.804 23.009 10.926 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.289 24.115 12.928 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.065 21.734 12.905 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.491 20.992 11.393 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.371 21.940 12.400 1.00 0.00 H new ATOM 519 N ILE A 40 -4.976 21.416 8.856 1.00 0.00 N ATOM 520 CA ILE A 40 -5.028 20.274 7.951 1.00 0.00 C ATOM 521 C ILE A 40 -5.551 19.031 8.662 1.00 0.00 C ATOM 522 O ILE A 40 -5.043 18.646 9.716 1.00 0.00 O ATOM 523 CB ILE A 40 -3.642 19.965 7.354 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.100 21.186 6.609 1.00 0.00 C ATOM 525 CG2 ILE A 40 -3.721 18.763 6.426 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.150 21.917 5.802 1.00 0.00 C ATOM 0 H ILE A 40 -4.059 21.585 9.270 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.711 20.542 7.145 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.957 19.726 8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.662 21.876 7.330 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.298 20.869 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.734 18.557 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.068 17.894 6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.418 18.975 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.694 22.771 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.572 21.242 5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.942 22.265 6.465 1.00 0.00 H new ATOM 538 N LEU A 41 -6.569 18.407 8.079 1.00 0.00 N ATOM 539 CA LEU A 41 -7.161 17.205 8.656 1.00 0.00 C ATOM 540 C LEU A 41 -7.665 16.268 7.563 1.00 0.00 C ATOM 541 O LEU A 41 -7.554 16.568 6.375 1.00 0.00 O ATOM 542 CB LEU A 41 -8.310 17.579 9.594 1.00 0.00 C ATOM 543 CG LEU A 41 -7.996 18.636 10.653 1.00 0.00 C ATOM 544 CD1 LEU A 41 -9.240 19.446 10.984 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.433 17.984 11.907 1.00 0.00 C ATOM 0 H LEU A 41 -7.001 18.713 7.207 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.390 16.687 9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.144 17.936 8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.647 16.675 10.101 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.243 19.313 10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.997 20.193 11.739 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.600 19.944 10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.015 18.782 11.366 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.215 18.751 12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.163 17.284 12.312 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.516 17.449 11.659 1.00 0.00 H new ATOM 557 N TRP A 42 -8.220 15.134 7.974 1.00 0.00 N ATOM 558 CA TRP A 42 -8.744 14.153 7.030 1.00 0.00 C ATOM 559 C TRP A 42 -9.985 13.467 7.589 1.00 0.00 C ATOM 560 O TRP A 42 -10.156 13.369 8.805 1.00 0.00 O ATOM 561 CB TRP A 42 -7.675 13.111 6.700 1.00 0.00 C ATOM 562 CG TRP A 42 -6.424 13.704 6.124 1.00 0.00 C ATOM 563 CD1 TRP A 42 -5.359 14.203 6.818 1.00 0.00 C ATOM 564 CD2 TRP A 42 -6.111 13.862 4.736 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.402 14.662 5.945 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.839 14.463 4.662 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.779 13.552 3.549 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.226 14.760 3.448 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.170 13.848 2.344 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.903 14.446 2.301 1.00 0.00 C ATOM 0 H TRP A 42 -8.319 14.871 8.954 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.023 14.678 6.117 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.423 12.560 7.606 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -8.086 12.391 5.993 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.280 14.233 7.895 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.511 15.083 6.209 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.754 13.089 3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.250 15.222 3.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.679 13.615 1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.452 14.663 1.344 1.00 0.00 H new ATOM 581 N ARG A 43 -10.848 12.993 6.696 1.00 0.00 N ATOM 582 CA ARG A 43 -12.074 12.317 7.103 1.00 0.00 C ATOM 583 C ARG A 43 -12.405 11.173 6.148 1.00 0.00 C ATOM 584 O ARG A 43 -12.462 11.361 4.933 1.00 0.00 O ATOM 585 CB ARG A 43 -13.237 13.309 7.150 1.00 0.00 C ATOM 586 CG ARG A 43 -13.322 14.086 8.454 1.00 0.00 C ATOM 587 CD ARG A 43 -14.310 15.238 8.352 1.00 0.00 C ATOM 588 NE ARG A 43 -14.256 16.109 9.523 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.155 17.053 9.779 1.00 0.00 C ATOM 590 NH1 ARG A 43 -16.173 17.245 8.951 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.038 17.806 10.865 1.00 0.00 N ATOM 0 H ARG A 43 -10.721 13.065 5.687 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.918 11.903 8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.137 14.013 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.171 12.768 6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.624 13.416 9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.336 14.472 8.714 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.096 15.821 7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.319 14.842 8.241 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.486 15.986 10.180 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.267 16.667 8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.862 17.970 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.257 17.661 11.505 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.729 18.530 11.060 1.00 0.00 H new ATOM 605 N LYS A 44 -12.622 9.987 6.707 1.00 0.00 N ATOM 606 CA LYS A 44 -12.949 8.812 5.908 1.00 0.00 C ATOM 607 C LYS A 44 -14.421 8.443 6.060 1.00 0.00 C ATOM 608 O LYS A 44 -14.894 8.182 7.166 1.00 0.00 O ATOM 609 CB LYS A 44 -12.070 7.629 6.320 1.00 0.00 C ATOM 610 CG LYS A 44 -11.966 6.550 5.257 1.00 0.00 C ATOM 611 CD LYS A 44 -11.704 5.185 5.871 1.00 0.00 C ATOM 612 CE LYS A 44 -10.228 4.988 6.184 1.00 0.00 C ATOM 613 NZ LYS A 44 -9.854 5.588 7.494 1.00 0.00 N ATOM 0 H LYS A 44 -12.577 9.814 7.711 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.759 9.051 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.070 7.994 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.471 7.190 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.889 6.518 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.163 6.798 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.288 5.078 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.039 4.406 5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.998 3.923 6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.626 5.437 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.026 5.091 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.624 6.594 7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.651 5.499 8.157 1.00 0.00 H new ATOM 627 N ASP A 45 -15.139 8.421 4.943 1.00 0.00 N ATOM 628 CA ASP A 45 -16.557 8.081 4.952 1.00 0.00 C ATOM 629 C ASP A 45 -17.290 8.835 6.057 1.00 0.00 C ATOM 630 O ASP A 45 -18.086 8.256 6.795 1.00 0.00 O ATOM 631 CB ASP A 45 -16.741 6.574 5.137 1.00 0.00 C ATOM 632 CG ASP A 45 -18.181 6.139 4.955 1.00 0.00 C ATOM 633 OD1 ASP A 45 -18.786 6.505 3.926 1.00 0.00 O ATOM 634 OD2 ASP A 45 -18.704 5.433 5.842 1.00 0.00 O ATOM 0 H ASP A 45 -14.762 8.635 4.019 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.982 8.376 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -16.112 6.044 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.402 6.289 6.133 1.00 0.00 H new ATOM 639 N GLY A 46 -17.015 10.131 6.165 1.00 0.00 N ATOM 640 CA GLY A 46 -17.655 10.943 7.184 1.00 0.00 C ATOM 641 C GLY A 46 -17.191 10.590 8.583 1.00 0.00 C ATOM 642 O GLY A 46 -17.973 10.632 9.533 1.00 0.00 O ATOM 0 H GLY A 46 -16.361 10.633 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.446 11.995 6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.736 10.816 7.120 1.00 0.00 H new ATOM 646 N VAL A 47 -15.915 10.239 8.711 1.00 0.00 N ATOM 647 CA VAL A 47 -15.348 9.877 10.004 1.00 0.00 C ATOM 648 C VAL A 47 -13.967 10.495 10.192 1.00 0.00 C ATOM 649 O VAL A 47 -13.157 10.523 9.264 1.00 0.00 O ATOM 650 CB VAL A 47 -15.240 8.348 10.161 1.00 0.00 C ATOM 651 CG1 VAL A 47 -14.662 7.990 11.522 1.00 0.00 C ATOM 652 CG2 VAL A 47 -16.600 7.695 9.962 1.00 0.00 C ATOM 0 H VAL A 47 -15.255 10.198 7.935 1.00 0.00 H new ATOM 0 HA VAL A 47 -16.023 10.267 10.766 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.564 7.968 9.395 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.593 6.906 11.614 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.668 8.426 11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.310 8.381 12.307 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -16.505 6.615 10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -17.300 8.079 10.704 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.970 7.923 8.962 1.00 0.00 H new ATOM 662 N LEU A 48 -13.705 10.988 11.397 1.00 0.00 N ATOM 663 CA LEU A 48 -12.420 11.606 11.707 1.00 0.00 C ATOM 664 C LEU A 48 -11.302 10.569 11.704 1.00 0.00 C ATOM 665 O LEU A 48 -11.251 9.693 12.567 1.00 0.00 O ATOM 666 CB LEU A 48 -12.482 12.302 13.068 1.00 0.00 C ATOM 667 CG LEU A 48 -12.958 13.755 13.058 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.950 14.642 12.344 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.326 13.864 12.401 1.00 0.00 C ATOM 0 H LEU A 48 -14.364 10.972 12.175 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.205 12.346 10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -13.144 11.728 13.717 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.489 12.269 13.516 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.045 14.096 14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.306 15.672 12.347 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.990 14.588 12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.831 14.302 11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.649 14.905 12.403 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.266 13.505 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.045 13.260 12.955 1.00 0.00 H new ATOM 681 N VAL A 49 -10.406 10.675 10.727 1.00 0.00 N ATOM 682 CA VAL A 49 -9.286 9.748 10.613 1.00 0.00 C ATOM 683 C VAL A 49 -8.549 9.611 11.941 1.00 0.00 C ATOM 684 O VAL A 49 -8.551 10.529 12.761 1.00 0.00 O ATOM 685 CB VAL A 49 -8.290 10.203 9.530 1.00 0.00 C ATOM 686 CG1 VAL A 49 -7.606 11.497 9.943 1.00 0.00 C ATOM 687 CG2 VAL A 49 -7.265 9.112 9.259 1.00 0.00 C ATOM 0 H VAL A 49 -10.434 11.393 10.003 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.702 8.781 10.330 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.841 10.390 8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.906 11.803 9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.355 12.276 10.083 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.066 11.341 10.877 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.569 9.450 8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.717 8.892 10.175 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.774 8.211 8.916 1.00 0.00 H new ATOM 697 N SER A 50 -7.920 8.458 12.146 1.00 0.00 N ATOM 698 CA SER A 50 -7.181 8.199 13.376 1.00 0.00 C ATOM 699 C SER A 50 -5.686 8.421 13.168 1.00 0.00 C ATOM 700 O SER A 50 -4.891 7.483 13.239 1.00 0.00 O ATOM 701 CB SER A 50 -7.434 6.769 13.856 1.00 0.00 C ATOM 702 OG SER A 50 -8.546 6.714 14.732 1.00 0.00 O ATOM 0 H SER A 50 -7.907 7.689 11.476 1.00 0.00 H new ATOM 0 HA SER A 50 -7.532 8.897 14.136 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.611 6.120 12.998 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.547 6.391 14.365 1.00 0.00 H new ATOM 0 HG SER A 50 -8.688 5.789 15.023 1.00 0.00 H new ATOM 708 N THR A 51 -5.309 9.669 12.911 1.00 0.00 N ATOM 709 CA THR A 51 -3.911 10.016 12.691 1.00 0.00 C ATOM 710 C THR A 51 -3.045 9.578 13.867 1.00 0.00 C ATOM 711 O THR A 51 -1.820 9.516 13.757 1.00 0.00 O ATOM 712 CB THR A 51 -3.735 11.531 12.475 1.00 0.00 C ATOM 713 OG1 THR A 51 -4.639 11.990 11.464 1.00 0.00 O ATOM 714 CG2 THR A 51 -2.305 11.857 12.070 1.00 0.00 C ATOM 0 H THR A 51 -5.953 10.457 12.850 1.00 0.00 H new ATOM 0 HA THR A 51 -3.592 9.489 11.792 1.00 0.00 H new ATOM 0 HB THR A 51 -3.954 12.038 13.415 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.522 12.954 11.334 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.205 12.932 11.923 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.622 11.533 12.855 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.063 11.340 11.142 1.00 0.00 H new ATOM 722 N GLN A 52 -3.688 9.274 14.989 1.00 0.00 N ATOM 723 CA GLN A 52 -2.975 8.841 16.185 1.00 0.00 C ATOM 724 C GLN A 52 -2.340 7.471 15.974 1.00 0.00 C ATOM 725 O GLN A 52 -1.333 7.140 16.600 1.00 0.00 O ATOM 726 CB GLN A 52 -3.925 8.797 17.383 1.00 0.00 C ATOM 727 CG GLN A 52 -4.201 10.163 17.991 1.00 0.00 C ATOM 728 CD GLN A 52 -5.355 10.142 18.974 1.00 0.00 C ATOM 729 OE1 GLN A 52 -5.161 9.941 20.173 1.00 0.00 O ATOM 730 NE2 GLN A 52 -6.565 10.351 18.469 1.00 0.00 N ATOM 0 H GLN A 52 -4.701 9.319 15.095 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.182 9.562 16.385 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.869 8.350 17.071 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.501 8.147 18.148 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.304 10.519 18.497 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.420 10.874 17.194 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.679 10.513 17.468 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.381 10.349 19.082 1.00 0.00 H new ATOM 739 N ASP A 53 -2.935 6.678 15.089 1.00 0.00 N ATOM 740 CA ASP A 53 -2.428 5.343 14.795 1.00 0.00 C ATOM 741 C ASP A 53 -0.975 5.404 14.333 1.00 0.00 C ATOM 742 O ASP A 53 -0.486 6.459 13.927 1.00 0.00 O ATOM 743 CB ASP A 53 -3.289 4.671 13.725 1.00 0.00 C ATOM 744 CG ASP A 53 -3.295 3.161 13.852 1.00 0.00 C ATOM 745 OD1 ASP A 53 -2.249 2.592 14.228 1.00 0.00 O ATOM 746 OD2 ASP A 53 -4.347 2.547 13.575 1.00 0.00 O ATOM 0 H ASP A 53 -3.769 6.937 14.563 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.475 4.753 15.710 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.311 5.043 13.798 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.919 4.948 12.738 1.00 0.00 H new ATOM 751 N SER A 54 -0.290 4.267 14.398 1.00 0.00 N ATOM 752 CA SER A 54 1.108 4.192 13.990 1.00 0.00 C ATOM 753 C SER A 54 1.229 4.150 12.470 1.00 0.00 C ATOM 754 O SER A 54 2.173 4.694 11.897 1.00 0.00 O ATOM 755 CB SER A 54 1.773 2.957 14.600 1.00 0.00 C ATOM 756 OG SER A 54 3.183 3.099 14.631 1.00 0.00 O ATOM 0 H SER A 54 -0.680 3.385 14.729 1.00 0.00 H new ATOM 0 HA SER A 54 1.615 5.086 14.353 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.398 2.801 15.611 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.506 2.073 14.021 1.00 0.00 H new ATOM 0 HG SER A 54 3.584 2.297 15.027 1.00 0.00 H new ATOM 762 N ARG A 55 0.266 3.502 11.823 1.00 0.00 N ATOM 763 CA ARG A 55 0.264 3.387 10.370 1.00 0.00 C ATOM 764 C ARG A 55 0.296 4.766 9.716 1.00 0.00 C ATOM 765 O ARG A 55 1.086 5.012 8.804 1.00 0.00 O ATOM 766 CB ARG A 55 -0.970 2.616 9.899 1.00 0.00 C ATOM 767 CG ARG A 55 -1.003 1.172 10.372 1.00 0.00 C ATOM 768 CD ARG A 55 -2.178 0.416 9.771 1.00 0.00 C ATOM 769 NE ARG A 55 -3.456 0.868 10.314 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.141 1.894 9.823 1.00 0.00 C ATOM 771 NH1 ARG A 55 -3.673 2.571 8.783 1.00 0.00 N ATOM 772 NH2 ARG A 55 -5.297 2.246 10.372 1.00 0.00 N ATOM 0 H ARG A 55 -0.523 3.048 12.283 1.00 0.00 H new ATOM 0 HA ARG A 55 1.159 2.841 10.073 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.865 3.127 10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.005 2.634 8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.072 0.677 10.098 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.070 1.146 11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.178 0.547 8.689 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.059 -0.650 9.963 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.844 0.368 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.785 2.304 8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.201 3.359 8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.660 1.728 11.172 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.822 3.034 9.994 1.00 0.00 H new ATOM 786 N ILE A 56 -0.567 5.659 10.188 1.00 0.00 N ATOM 787 CA ILE A 56 -0.637 7.011 9.650 1.00 0.00 C ATOM 788 C ILE A 56 0.238 7.968 10.453 1.00 0.00 C ATOM 789 O ILE A 56 0.218 7.962 11.684 1.00 0.00 O ATOM 790 CB ILE A 56 -2.083 7.540 9.642 1.00 0.00 C ATOM 791 CG1 ILE A 56 -2.998 6.577 8.883 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.136 8.929 9.023 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.625 5.519 9.764 1.00 0.00 C ATOM 0 H ILE A 56 -1.227 5.470 10.942 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.271 6.962 8.624 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.434 7.609 10.672 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.788 7.148 8.396 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.425 6.089 8.095 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.165 9.289 9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.512 9.610 9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.769 8.885 7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.261 4.872 9.159 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.841 4.923 10.231 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.226 5.998 10.537 1.00 0.00 H new ATOM 805 N LYS A 57 1.006 8.792 9.747 1.00 0.00 N ATOM 806 CA LYS A 57 1.887 9.759 10.392 1.00 0.00 C ATOM 807 C LYS A 57 2.009 11.028 9.555 1.00 0.00 C ATOM 808 O LYS A 57 2.074 10.967 8.327 1.00 0.00 O ATOM 809 CB LYS A 57 3.272 9.147 10.616 1.00 0.00 C ATOM 810 CG LYS A 57 4.299 10.140 11.132 1.00 0.00 C ATOM 811 CD LYS A 57 5.531 9.436 11.676 1.00 0.00 C ATOM 812 CE LYS A 57 6.561 9.193 10.584 1.00 0.00 C ATOM 813 NZ LYS A 57 7.870 8.758 11.144 1.00 0.00 N ATOM 0 H LYS A 57 1.036 8.809 8.728 1.00 0.00 H new ATOM 0 HA LYS A 57 1.452 10.022 11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.186 8.324 11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.629 8.723 9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.590 10.815 10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.853 10.752 11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.975 10.038 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.241 8.485 12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.189 8.433 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.699 10.106 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.545 8.603 10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.237 9.494 11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.743 7.873 11.675 1.00 0.00 H new ATOM 827 N GLN A 58 2.040 12.174 10.226 1.00 0.00 N ATOM 828 CA GLN A 58 2.156 13.457 9.542 1.00 0.00 C ATOM 829 C GLN A 58 3.619 13.830 9.329 1.00 0.00 C ATOM 830 O GLN A 58 4.297 14.281 10.253 1.00 0.00 O ATOM 831 CB GLN A 58 1.449 14.551 10.344 1.00 0.00 C ATOM 832 CG GLN A 58 -0.024 14.701 10.001 1.00 0.00 C ATOM 833 CD GLN A 58 -0.699 15.800 10.798 1.00 0.00 C ATOM 834 OE1 GLN A 58 -0.136 16.320 11.762 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.914 16.161 10.399 1.00 0.00 N ATOM 0 H GLN A 58 1.986 12.241 11.242 1.00 0.00 H new ATOM 0 HA GLN A 58 1.679 13.365 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.545 14.330 11.407 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.953 15.502 10.169 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.126 14.914 8.937 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.535 13.756 10.187 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.344 15.704 9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.417 16.895 10.897 1.00 0.00 H new ATOM 844 N LEU A 59 4.101 13.639 8.106 1.00 0.00 N ATOM 845 CA LEU A 59 5.485 13.955 7.770 1.00 0.00 C ATOM 846 C LEU A 59 5.687 15.463 7.659 1.00 0.00 C ATOM 847 O LEU A 59 6.349 16.074 8.497 1.00 0.00 O ATOM 848 CB LEU A 59 5.880 13.278 6.457 1.00 0.00 C ATOM 849 CG LEU A 59 5.311 11.877 6.227 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.200 11.123 7.543 1.00 0.00 C ATOM 851 CD2 LEU A 59 3.955 11.958 5.540 1.00 0.00 C ATOM 0 H LEU A 59 3.554 13.267 7.330 1.00 0.00 H new ATOM 0 HA LEU A 59 6.122 13.579 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.564 13.917 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.968 13.218 6.415 1.00 0.00 H new ATOM 0 HG LEU A 59 5.994 11.331 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.793 10.129 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.188 11.033 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.539 11.666 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.565 10.952 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.263 12.522 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.064 12.458 4.577 1.00 0.00 H new ATOM 863 N GLU A 60 5.109 16.057 6.619 1.00 0.00 N ATOM 864 CA GLU A 60 5.225 17.494 6.399 1.00 0.00 C ATOM 865 C GLU A 60 3.895 18.194 6.662 1.00 0.00 C ATOM 866 O GLU A 60 2.918 17.562 7.062 1.00 0.00 O ATOM 867 CB GLU A 60 5.690 17.778 4.969 1.00 0.00 C ATOM 868 CG GLU A 60 6.999 17.097 4.608 1.00 0.00 C ATOM 869 CD GLU A 60 6.795 15.713 4.024 1.00 0.00 C ATOM 870 OE1 GLU A 60 6.093 15.601 2.997 1.00 0.00 O ATOM 871 OE2 GLU A 60 7.337 14.742 4.593 1.00 0.00 O ATOM 0 H GLU A 60 4.556 15.566 5.916 1.00 0.00 H new ATOM 0 HA GLU A 60 5.965 17.884 7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.917 17.452 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.802 18.854 4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.539 17.714 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.623 17.023 5.498 1.00 0.00 H new ATOM 878 N ASN A 61 3.867 19.503 6.436 1.00 0.00 N ATOM 879 CA ASN A 61 2.658 20.290 6.649 1.00 0.00 C ATOM 880 C ASN A 61 1.588 19.933 5.621 1.00 0.00 C ATOM 881 O ASN A 61 1.665 20.339 4.463 1.00 0.00 O ATOM 882 CB ASN A 61 2.976 21.785 6.571 1.00 0.00 C ATOM 883 CG ASN A 61 4.388 22.099 7.029 1.00 0.00 C ATOM 884 OD1 ASN A 61 5.355 21.900 6.142 1.00 0.00 O flip ATOM 885 ND2 ASN A 61 4.604 22.517 8.167 1.00 0.00 N flip ATOM 0 H ASN A 61 4.668 20.041 6.105 1.00 0.00 H new ATOM 0 HA ASN A 61 2.275 20.058 7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.844 22.129 5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.266 22.338 7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.829 22.655 8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.558 22.725 8.461 1.00 0.00 H new ATOM 892 N GLY A 62 0.589 19.170 6.055 1.00 0.00 N ATOM 893 CA GLY A 62 -0.482 18.771 5.161 1.00 0.00 C ATOM 894 C GLY A 62 -0.231 17.419 4.522 1.00 0.00 C ATOM 895 O GLY A 62 -1.162 16.763 4.056 1.00 0.00 O ATOM 0 H GLY A 62 0.503 18.821 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.420 18.739 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.598 19.523 4.380 1.00 0.00 H new ATOM 899 N VAL A 63 1.031 17.003 4.499 1.00 0.00 N ATOM 900 CA VAL A 63 1.402 15.721 3.912 1.00 0.00 C ATOM 901 C VAL A 63 1.084 14.570 4.859 1.00 0.00 C ATOM 902 O VAL A 63 1.603 14.508 5.975 1.00 0.00 O ATOM 903 CB VAL A 63 2.900 15.679 3.555 1.00 0.00 C ATOM 904 CG1 VAL A 63 3.272 14.327 2.966 1.00 0.00 C ATOM 905 CG2 VAL A 63 3.249 16.804 2.592 1.00 0.00 C ATOM 0 H VAL A 63 1.814 17.535 4.880 1.00 0.00 H new ATOM 0 HA VAL A 63 0.816 15.610 3.000 1.00 0.00 H new ATOM 0 HB VAL A 63 3.477 15.821 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.334 14.317 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.060 13.543 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.689 14.151 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.311 16.760 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.664 16.696 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.022 17.764 3.056 1.00 0.00 H new ATOM 915 N LEU A 64 0.228 13.659 4.409 1.00 0.00 N ATOM 916 CA LEU A 64 -0.159 12.508 5.216 1.00 0.00 C ATOM 917 C LEU A 64 0.067 11.207 4.453 1.00 0.00 C ATOM 918 O LEU A 64 -0.531 10.981 3.402 1.00 0.00 O ATOM 919 CB LEU A 64 -1.628 12.621 5.630 1.00 0.00 C ATOM 920 CG LEU A 64 -2.136 11.554 6.600 1.00 0.00 C ATOM 921 CD1 LEU A 64 -1.910 11.990 8.039 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.610 11.268 6.353 1.00 0.00 C ATOM 0 H LEU A 64 -0.211 13.696 3.489 1.00 0.00 H new ATOM 0 HA LEU A 64 0.464 12.496 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.782 13.600 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.242 12.587 4.730 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.574 10.636 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.278 11.218 8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.844 12.144 8.209 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.446 12.921 8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.955 10.506 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.187 12.181 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.745 10.911 5.332 1.00 0.00 H new ATOM 934 N GLN A 65 0.932 10.353 4.992 1.00 0.00 N ATOM 935 CA GLN A 65 1.235 9.074 4.362 1.00 0.00 C ATOM 936 C GLN A 65 0.665 7.917 5.176 1.00 0.00 C ATOM 937 O GLN A 65 0.802 7.880 6.399 1.00 0.00 O ATOM 938 CB GLN A 65 2.747 8.905 4.204 1.00 0.00 C ATOM 939 CG GLN A 65 3.146 7.611 3.512 1.00 0.00 C ATOM 940 CD GLN A 65 4.576 7.635 3.010 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.830 7.906 1.836 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.521 7.350 3.899 1.00 0.00 N ATOM 0 H GLN A 65 1.435 10.524 5.863 1.00 0.00 H new ATOM 0 HA GLN A 65 0.770 9.064 3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.141 9.748 3.636 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.213 8.939 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.022 6.779 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.474 7.429 2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.266 7.131 4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.502 7.350 3.619 1.00 0.00 H new ATOM 951 N ILE A 66 0.024 6.977 4.490 1.00 0.00 N ATOM 952 CA ILE A 66 -0.567 5.819 5.150 1.00 0.00 C ATOM 953 C ILE A 66 0.067 4.523 4.657 1.00 0.00 C ATOM 954 O ILE A 66 0.058 4.231 3.461 1.00 0.00 O ATOM 955 CB ILE A 66 -2.088 5.755 4.918 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.776 6.958 5.565 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.653 4.454 5.469 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.826 8.178 4.672 1.00 0.00 C ATOM 0 H ILE A 66 -0.099 6.994 3.478 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.375 5.931 6.217 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.279 5.786 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.792 6.679 5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.253 7.213 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.729 4.423 5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.181 3.610 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.454 4.395 6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.327 8.992 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.811 8.483 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.375 7.940 3.761 1.00 0.00 H new ATOM 970 N ARG A 67 0.615 3.748 5.587 1.00 0.00 N ATOM 971 CA ARG A 67 1.253 2.482 5.248 1.00 0.00 C ATOM 972 C ARG A 67 0.361 1.304 5.631 1.00 0.00 C ATOM 973 O ARG A 67 -0.493 1.419 6.510 1.00 0.00 O ATOM 974 CB ARG A 67 2.605 2.362 5.953 1.00 0.00 C ATOM 975 CG ARG A 67 3.738 3.062 5.221 1.00 0.00 C ATOM 976 CD ARG A 67 4.926 3.309 6.138 1.00 0.00 C ATOM 977 NE ARG A 67 5.845 4.302 5.587 1.00 0.00 N ATOM 978 CZ ARG A 67 7.082 4.486 6.035 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.545 3.748 7.035 1.00 0.00 N ATOM 980 NH2 ARG A 67 7.858 5.409 5.483 1.00 0.00 N ATOM 0 H ARG A 67 0.630 3.975 6.581 1.00 0.00 H new ATOM 0 HA ARG A 67 1.411 2.461 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.520 2.779 6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.854 1.307 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.053 2.456 4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.382 4.012 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.569 3.646 7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.459 2.372 6.301 1.00 0.00 H new ATOM 0 HE ARG A 67 5.519 4.886 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.951 3.037 7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.495 3.891 7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.505 5.978 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.808 5.550 5.828 1.00 0.00 H new ATOM 994 N TYR A 68 0.566 0.173 4.965 1.00 0.00 N ATOM 995 CA TYR A 68 -0.221 -1.025 5.233 1.00 0.00 C ATOM 996 C TYR A 68 -1.696 -0.788 4.925 1.00 0.00 C ATOM 997 O TYR A 68 -2.567 -1.078 5.745 1.00 0.00 O ATOM 998 CB TYR A 68 -0.055 -1.453 6.692 1.00 0.00 C ATOM 999 CG TYR A 68 1.384 -1.677 7.098 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.134 -2.702 6.534 1.00 0.00 C ATOM 1001 CD2 TYR A 68 1.994 -0.864 8.044 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.449 -2.911 6.902 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.309 -1.064 8.417 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.032 -2.089 7.844 1.00 0.00 C ATOM 1005 OH TYR A 68 5.342 -2.293 8.212 1.00 0.00 O ATOM 0 H TYR A 68 1.270 0.061 4.236 1.00 0.00 H new ATOM 0 HA TYR A 68 0.143 -1.821 4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.491 -0.690 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.618 -2.371 6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.681 -3.346 5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.431 -0.061 8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.017 -3.713 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.768 -0.421 9.153 1.00 0.00 H new ATOM 0 HH TYR A 68 5.600 -1.628 8.884 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.969 -0.258 3.737 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.338 0.016 3.319 1.00 0.00 C ATOM 1017 C ALA A 69 -4.144 -1.273 3.200 1.00 0.00 C ATOM 1018 O ALA A 69 -3.970 -2.041 2.254 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.344 0.769 1.996 1.00 0.00 C ATOM 0 H ALA A 69 -1.260 -0.010 3.047 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.808 0.638 4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.373 0.967 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.811 1.713 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.852 0.167 1.232 1.00 0.00 H new ATOM 1025 N LYS A 70 -5.026 -1.505 4.166 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.860 -2.701 4.170 1.00 0.00 C ATOM 1027 C LYS A 70 -7.106 -2.498 3.314 1.00 0.00 C ATOM 1028 O LYS A 70 -7.401 -1.382 2.883 1.00 0.00 O ATOM 1029 CB LYS A 70 -6.265 -3.060 5.602 1.00 0.00 C ATOM 1030 CG LYS A 70 -5.093 -3.138 6.564 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.559 -3.167 8.010 1.00 0.00 C ATOM 1032 CE LYS A 70 -4.404 -3.433 8.963 1.00 0.00 C ATOM 1033 NZ LYS A 70 -3.907 -4.833 8.854 1.00 0.00 N ATOM 0 H LYS A 70 -5.182 -0.880 4.957 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.279 -3.520 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.975 -2.318 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.783 -4.019 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.506 -4.032 6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.437 -2.282 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.028 -2.216 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.319 -3.939 8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.590 -2.741 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.726 -3.240 9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.280 -5.042 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.714 -5.489 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.380 -4.946 7.965 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.834 -3.582 3.072 1.00 0.00 N ATOM 1048 CA LEU A 71 -9.050 -3.523 2.268 1.00 0.00 C ATOM 1049 C LEU A 71 -10.101 -2.640 2.933 1.00 0.00 C ATOM 1050 O LEU A 71 -10.826 -1.906 2.262 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.612 -4.929 2.052 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.774 -5.859 1.174 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -9.187 -7.308 1.385 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.909 -5.473 -0.292 1.00 0.00 C ATOM 0 H LEU A 71 -7.604 -4.512 3.421 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.795 -3.088 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.741 -5.401 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.603 -4.838 1.608 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.728 -5.755 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.580 -7.955 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.039 -7.580 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.239 -7.428 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.306 -6.145 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.954 -5.548 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.564 -4.449 -0.432 1.00 0.00 H new ATOM 1066 N GLY A 72 -10.176 -2.714 4.259 1.00 0.00 N ATOM 1067 CA GLY A 72 -11.139 -1.915 4.993 1.00 0.00 C ATOM 1068 C GLY A 72 -10.877 -0.427 4.863 1.00 0.00 C ATOM 1069 O GLY A 72 -11.800 0.382 4.957 1.00 0.00 O ATOM 0 H GLY A 72 -9.587 -3.313 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.143 -2.137 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.111 -2.195 6.046 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.617 -0.066 4.648 1.00 0.00 N ATOM 1074 CA ASP A 73 -9.237 1.334 4.505 1.00 0.00 C ATOM 1075 C ASP A 73 -9.918 1.962 3.293 1.00 0.00 C ATOM 1076 O ASP A 73 -10.280 3.139 3.310 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.718 1.462 4.376 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.021 1.467 5.722 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.951 2.544 6.351 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -6.545 0.393 6.147 1.00 0.00 O ATOM 0 H ASP A 73 -8.841 -0.724 4.569 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.564 1.866 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.336 0.636 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.478 2.382 3.842 1.00 0.00 H new ATOM 1085 N THR A 74 -10.088 1.168 2.240 1.00 0.00 N ATOM 1086 CA THR A 74 -10.723 1.646 1.018 1.00 0.00 C ATOM 1087 C THR A 74 -11.845 2.629 1.329 1.00 0.00 C ATOM 1088 O THR A 74 -12.942 2.232 1.719 1.00 0.00 O ATOM 1089 CB THR A 74 -11.294 0.479 0.189 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.244 -0.428 -0.167 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.975 0.994 -1.070 1.00 0.00 C ATOM 0 H THR A 74 -9.795 0.192 2.209 1.00 0.00 H new ATOM 0 HA THR A 74 -9.951 2.152 0.438 1.00 0.00 H new ATOM 0 HB THR A 74 -12.034 -0.043 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.166 -1.124 0.519 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.371 0.153 -1.640 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.791 1.662 -0.795 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.252 1.537 -1.679 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.563 3.917 1.155 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.559 4.938 1.421 1.00 0.00 C ATOM 1101 C GLY A 75 -12.293 6.221 0.659 1.00 0.00 C ATOM 1102 O GLY A 75 -11.438 6.259 -0.226 1.00 0.00 O ATOM 0 H GLY A 75 -10.662 4.271 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.545 4.558 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.579 5.151 2.490 1.00 0.00 H new ATOM 1106 N ARG A 76 -13.028 7.274 1.001 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.870 8.563 0.341 1.00 0.00 C ATOM 1108 C ARG A 76 -12.055 9.521 1.206 1.00 0.00 C ATOM 1109 O ARG A 76 -12.509 9.955 2.266 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.238 9.175 0.034 1.00 0.00 C ATOM 1111 CG ARG A 76 -14.159 10.534 -0.643 1.00 0.00 C ATOM 1112 CD ARG A 76 -15.448 11.321 -0.463 1.00 0.00 C ATOM 1113 NE ARG A 76 -15.540 12.441 -1.395 1.00 0.00 N ATOM 1114 CZ ARG A 76 -15.921 12.314 -2.661 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -16.245 11.122 -3.143 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -15.980 13.381 -3.448 1.00 0.00 N ATOM 0 H ARG A 76 -13.739 7.259 1.732 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.335 8.400 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.797 8.492 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.799 9.273 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.325 11.100 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.958 10.401 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.301 10.658 -0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.505 11.695 0.559 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.298 13.372 -1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.202 10.300 -2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.537 11.027 -4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.733 14.300 -3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.273 13.282 -4.420 1.00 0.00 H new ATOM 1130 N TYR A 77 -10.852 9.846 0.748 1.00 0.00 N ATOM 1131 CA TYR A 77 -9.973 10.749 1.481 1.00 0.00 C ATOM 1132 C TYR A 77 -10.202 12.196 1.056 1.00 0.00 C ATOM 1133 O TYR A 77 -10.036 12.547 -0.113 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.509 10.365 1.256 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.177 8.959 1.702 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.701 7.857 1.038 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.339 8.733 2.787 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.400 6.570 1.442 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.032 7.450 3.197 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.565 6.372 2.521 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.263 5.093 2.928 1.00 0.00 O ATOM 0 H TYR A 77 -10.463 9.498 -0.128 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.206 10.660 2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.274 10.466 0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.871 11.068 1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.355 8.009 0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.921 9.575 3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.817 5.724 0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.378 7.292 4.042 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.366 4.853 2.614 1.00 0.00 H new ATOM 1151 N THR A 78 -10.584 13.034 2.015 1.00 0.00 N ATOM 1152 CA THR A 78 -10.837 14.444 1.742 1.00 0.00 C ATOM 1153 C THR A 78 -10.092 15.337 2.728 1.00 0.00 C ATOM 1154 O THR A 78 -9.906 14.976 3.890 1.00 0.00 O ATOM 1155 CB THR A 78 -12.342 14.768 1.809 1.00 0.00 C ATOM 1156 OG1 THR A 78 -12.995 14.308 0.620 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.566 16.263 1.972 1.00 0.00 C ATOM 0 H THR A 78 -10.725 12.761 2.988 1.00 0.00 H new ATOM 0 HA THR A 78 -10.475 14.641 0.733 1.00 0.00 H new ATOM 0 HB THR A 78 -12.764 14.258 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.777 14.906 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.636 16.468 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.092 16.604 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.131 16.791 1.123 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.668 16.505 2.257 1.00 0.00 N ATOM 1166 CA CYS A 79 -8.944 17.451 3.097 1.00 0.00 C ATOM 1167 C CYS A 79 -9.891 18.491 3.687 1.00 0.00 C ATOM 1168 O CYS A 79 -10.929 18.803 3.102 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.846 18.145 2.288 1.00 0.00 C ATOM 1170 SG CYS A 79 -6.912 19.398 3.225 1.00 0.00 S ATOM 0 H CYS A 79 -9.814 16.819 1.297 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.487 16.896 3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.151 17.391 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.297 18.620 1.416 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.526 19.024 4.848 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.343 20.030 5.516 1.00 0.00 C ATOM 1177 C ILE A 80 -9.482 21.166 6.056 1.00 0.00 C ATOM 1178 O ILE A 80 -8.482 20.933 6.735 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.152 19.418 6.675 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -11.990 18.240 6.175 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.041 20.474 7.315 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.245 16.924 6.176 1.00 0.00 C ATOM 0 H ILE A 80 -8.671 18.776 5.345 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.033 20.424 4.770 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.457 19.050 7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.878 18.146 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.333 18.453 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.607 20.027 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.423 21.284 7.702 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.731 20.869 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.901 16.134 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.371 17.000 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.925 16.688 7.191 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.878 22.398 5.751 1.00 0.00 N ATOM 1195 CA ALA A 81 -9.145 23.571 6.209 1.00 0.00 C ATOM 1196 C ALA A 81 -10.059 24.530 6.965 1.00 0.00 C ATOM 1197 O ALA A 81 -10.793 25.310 6.359 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.493 24.280 5.031 1.00 0.00 C ATOM 0 H ALA A 81 -10.702 22.609 5.189 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.366 23.236 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.949 25.154 5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.801 23.600 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.262 24.595 4.325 1.00 0.00 H new ATOM 1204 N SER A 82 -10.011 24.464 8.292 1.00 0.00 N ATOM 1205 CA SER A 82 -10.839 25.323 9.130 1.00 0.00 C ATOM 1206 C SER A 82 -10.155 26.664 9.377 1.00 0.00 C ATOM 1207 O SER A 82 -8.974 26.718 9.723 1.00 0.00 O ATOM 1208 CB SER A 82 -11.136 24.636 10.465 1.00 0.00 C ATOM 1209 OG SER A 82 -11.602 25.567 11.425 1.00 0.00 O ATOM 0 H SER A 82 -9.408 23.825 8.809 1.00 0.00 H new ATOM 0 HA SER A 82 -11.777 25.504 8.606 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.883 23.856 10.318 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.234 24.148 10.835 1.00 0.00 H new ATOM 0 HG SER A 82 -11.786 25.103 12.268 1.00 0.00 H new ATOM 1215 N THR A 83 -10.905 27.746 9.197 1.00 0.00 N ATOM 1216 CA THR A 83 -10.372 29.088 9.398 1.00 0.00 C ATOM 1217 C THR A 83 -11.436 30.022 9.964 1.00 0.00 C ATOM 1218 O THR A 83 -12.636 29.765 9.871 1.00 0.00 O ATOM 1219 CB THR A 83 -9.831 29.681 8.083 1.00 0.00 C ATOM 1220 OG1 THR A 83 -10.561 29.152 6.971 1.00 0.00 O ATOM 1221 CG2 THR A 83 -8.351 29.370 7.919 1.00 0.00 C ATOM 0 H THR A 83 -11.884 27.720 8.912 1.00 0.00 H new ATOM 0 HA THR A 83 -9.553 28.999 10.111 1.00 0.00 H new ATOM 0 HB THR A 83 -9.957 30.763 8.118 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.522 29.247 7.136 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.991 29.798 6.984 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.795 29.799 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.206 28.290 7.903 1.00 0.00 H new ATOM 1229 N PRO A 84 -10.988 31.135 10.564 1.00 0.00 N ATOM 1230 CA PRO A 84 -11.886 32.131 11.156 1.00 0.00 C ATOM 1231 C PRO A 84 -12.674 32.900 10.101 1.00 0.00 C ATOM 1232 O PRO A 84 -13.434 33.813 10.424 1.00 0.00 O ATOM 1233 CB PRO A 84 -10.933 33.070 11.901 1.00 0.00 C ATOM 1234 CG PRO A 84 -9.631 32.931 11.190 1.00 0.00 C ATOM 1235 CD PRO A 84 -9.571 31.506 10.712 1.00 0.00 C ATOM 0 HA PRO A 84 -12.640 31.671 11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.291 34.099 11.875 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.843 32.791 12.951 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.567 33.626 10.353 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.797 33.155 11.855 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.033 31.421 9.768 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.060 30.863 11.429 1.00 0.00 H new ATOM 1243 N SER A 85 -12.487 32.525 8.840 1.00 0.00 N ATOM 1244 CA SER A 85 -13.179 33.183 7.737 1.00 0.00 C ATOM 1245 C SER A 85 -14.088 32.201 7.004 1.00 0.00 C ATOM 1246 O SER A 85 -15.102 32.590 6.425 1.00 0.00 O ATOM 1247 CB SER A 85 -12.168 33.785 6.760 1.00 0.00 C ATOM 1248 OG SER A 85 -11.354 34.753 7.400 1.00 0.00 O ATOM 0 H SER A 85 -11.863 31.770 8.556 1.00 0.00 H new ATOM 0 HA SER A 85 -13.794 33.982 8.151 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.542 32.994 6.347 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.695 34.244 5.923 1.00 0.00 H new ATOM 0 HG SER A 85 -10.715 35.121 6.755 1.00 0.00 H new ATOM 1254 N GLY A 86 -13.718 30.924 7.034 1.00 0.00 N ATOM 1255 CA GLY A 86 -14.509 29.906 6.369 1.00 0.00 C ATOM 1256 C GLY A 86 -13.858 28.539 6.422 1.00 0.00 C ATOM 1257 O GLY A 86 -12.868 28.343 7.126 1.00 0.00 O ATOM 0 H GLY A 86 -12.884 30.577 7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.494 29.854 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.662 30.192 5.328 1.00 0.00 H new ATOM 1261 N GLU A 87 -14.415 27.590 5.676 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.881 26.233 5.643 1.00 0.00 C ATOM 1263 C GLU A 87 -14.059 25.612 4.260 1.00 0.00 C ATOM 1264 O GLU A 87 -15.139 25.676 3.674 1.00 0.00 O ATOM 1265 CB GLU A 87 -14.572 25.365 6.697 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.839 24.067 6.991 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.296 22.925 6.104 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.513 22.652 6.067 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -13.434 22.304 5.446 1.00 0.00 O ATOM 0 H GLU A 87 -15.235 27.735 5.087 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.815 26.283 5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.667 25.936 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.582 25.134 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.768 24.220 6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.994 23.795 8.035 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.990 25.012 3.746 1.00 0.00 N ATOM 1277 CA ALA A 88 -13.027 24.378 2.434 1.00 0.00 C ATOM 1278 C ALA A 88 -12.508 22.946 2.501 1.00 0.00 C ATOM 1279 O ALA A 88 -11.951 22.523 3.515 1.00 0.00 O ATOM 1280 CB ALA A 88 -12.217 25.189 1.433 1.00 0.00 C ATOM 0 H ALA A 88 -12.088 24.952 4.218 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.065 24.345 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.253 24.704 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.635 26.193 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.182 25.252 1.769 1.00 0.00 H new ATOM 1286 N THR A 89 -12.695 22.202 1.415 1.00 0.00 N ATOM 1287 CA THR A 89 -12.248 20.816 1.352 1.00 0.00 C ATOM 1288 C THR A 89 -11.881 20.422 -0.074 1.00 0.00 C ATOM 1289 O THR A 89 -12.233 21.114 -1.029 1.00 0.00 O ATOM 1290 CB THR A 89 -13.329 19.853 1.877 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.377 19.718 0.911 1.00 0.00 O ATOM 1292 CG2 THR A 89 -13.907 20.353 3.193 1.00 0.00 C ATOM 0 H THR A 89 -13.153 22.536 0.567 1.00 0.00 H new ATOM 0 HA THR A 89 -11.365 20.739 1.986 1.00 0.00 H new ATOM 0 HB THR A 89 -12.866 18.881 2.048 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.059 19.103 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.668 19.656 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.112 20.426 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.355 21.335 3.044 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.173 19.307 -0.210 1.00 0.00 N ATOM 1301 CA TRP A 90 -10.760 18.820 -1.521 1.00 0.00 C ATOM 1302 C TRP A 90 -11.326 17.430 -1.790 1.00 0.00 C ATOM 1303 O TRP A 90 -11.697 16.711 -0.862 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.233 18.789 -1.618 1.00 0.00 C ATOM 1305 CG TRP A 90 -8.729 18.717 -3.028 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.297 17.602 -3.688 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -8.603 19.806 -3.949 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -7.910 17.932 -4.964 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.088 19.277 -5.150 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -8.876 21.174 -3.878 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -7.842 20.072 -6.267 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -8.630 21.961 -4.987 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.118 21.408 -6.169 1.00 0.00 C ATOM 0 H TRP A 90 -10.873 18.723 0.571 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.152 19.503 -2.274 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -8.827 19.681 -1.140 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.858 17.930 -1.061 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.264 16.607 -3.268 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -7.548 17.280 -5.661 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.272 21.609 -2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.447 19.648 -7.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -8.836 23.020 -4.942 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.938 22.050 -7.019 1.00 0.00 H new ATOM 1324 N SER A 91 -11.392 17.058 -3.064 1.00 0.00 N ATOM 1325 CA SER A 91 -11.917 15.755 -3.455 1.00 0.00 C ATOM 1326 C SER A 91 -10.783 14.773 -3.733 1.00 0.00 C ATOM 1327 O SER A 91 -9.869 15.066 -4.503 1.00 0.00 O ATOM 1328 CB SER A 91 -12.806 15.890 -4.693 1.00 0.00 C ATOM 1329 OG SER A 91 -14.000 16.590 -4.390 1.00 0.00 O ATOM 0 H SER A 91 -11.088 17.641 -3.844 1.00 0.00 H new ATOM 0 HA SER A 91 -12.514 15.369 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.263 16.415 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.049 14.900 -5.080 1.00 0.00 H new ATOM 0 HG SER A 91 -14.550 16.664 -5.198 1.00 0.00 H new ATOM 1335 N ALA A 92 -10.851 13.606 -3.101 1.00 0.00 N ATOM 1336 CA ALA A 92 -9.832 12.580 -3.281 1.00 0.00 C ATOM 1337 C ALA A 92 -10.324 11.225 -2.783 1.00 0.00 C ATOM 1338 O ALA A 92 -11.035 11.141 -1.782 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.551 12.975 -2.561 1.00 0.00 C ATOM 0 H ALA A 92 -11.601 13.348 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.624 12.493 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.799 12.199 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.182 13.917 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.753 13.092 -1.496 1.00 0.00 H new ATOM 1345 N TYR A 93 -9.941 10.166 -3.488 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.346 8.815 -3.119 1.00 0.00 C ATOM 1347 C TYR A 93 -9.238 7.812 -3.425 1.00 0.00 C ATOM 1348 O TYR A 93 -8.578 7.895 -4.461 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.624 8.422 -3.863 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.364 7.268 -3.226 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -11.793 6.003 -3.159 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -13.634 7.443 -2.690 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.466 4.945 -2.579 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -14.314 6.391 -2.107 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.726 5.144 -2.054 1.00 0.00 C ATOM 1356 OH TYR A 93 -14.400 4.094 -1.474 1.00 0.00 O ATOM 0 H TYR A 93 -9.351 10.217 -4.318 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.539 8.801 -2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.287 9.286 -3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.370 8.158 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.806 5.844 -3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.097 8.418 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.008 3.968 -2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.301 6.544 -1.695 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.273 4.403 -1.153 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.040 6.863 -2.516 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.014 5.842 -2.688 1.00 0.00 C ATOM 1368 C ILE A 94 -8.622 4.444 -2.670 1.00 0.00 C ATOM 1369 O ILE A 94 -9.433 4.120 -1.802 1.00 0.00 O ATOM 1370 CB ILE A 94 -6.937 5.936 -1.591 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.279 7.318 -1.608 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -5.894 4.844 -1.778 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.536 7.616 -2.891 1.00 0.00 C ATOM 0 H ILE A 94 -9.577 6.780 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.549 6.021 -3.658 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.414 5.794 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.045 8.078 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.586 7.392 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.140 4.923 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.375 3.868 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.419 4.958 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.095 8.611 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.747 6.877 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.229 7.575 -3.731 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.222 3.618 -3.632 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.727 2.254 -3.725 1.00 0.00 C ATOM 1387 C GLU A 95 -7.650 1.247 -3.332 1.00 0.00 C ATOM 1388 O GLU A 95 -6.483 1.395 -3.696 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.218 1.964 -5.145 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.355 0.482 -5.451 1.00 0.00 C ATOM 1391 CD GLU A 95 -10.303 0.209 -6.603 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -11.363 0.867 -6.667 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -9.985 -0.661 -7.441 1.00 0.00 O ATOM 0 H GLU A 95 -7.550 3.870 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.563 2.155 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.184 2.448 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.526 2.411 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.373 0.072 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.711 -0.037 -4.561 1.00 0.00 H new ATOM 1400 N VAL A 96 -8.050 0.222 -2.586 1.00 0.00 N ATOM 1401 CA VAL A 96 -7.120 -0.810 -2.143 1.00 0.00 C ATOM 1402 C VAL A 96 -7.473 -2.164 -2.750 1.00 0.00 C ATOM 1403 O VAL A 96 -8.369 -2.856 -2.268 1.00 0.00 O ATOM 1404 CB VAL A 96 -7.109 -0.935 -0.608 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -6.156 -2.035 -0.168 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.734 0.394 0.031 1.00 0.00 C ATOM 0 H VAL A 96 -9.012 0.084 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.129 -0.510 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.112 -1.203 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.162 -2.108 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.474 -2.985 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.148 -1.801 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.731 0.288 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.742 0.693 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.460 1.154 -0.257 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.761 -2.535 -3.809 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.999 -3.807 -4.481 1.00 0.00 C ATOM 1418 C GLN A 97 -6.142 -4.912 -3.874 1.00 0.00 C ATOM 1419 O GLN A 97 -5.030 -4.664 -3.409 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.704 -3.680 -5.977 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.853 -3.085 -6.775 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.608 -3.126 -8.271 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -7.380 -4.191 -8.845 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -7.653 -1.963 -8.910 1.00 0.00 N ATOM 0 H GLN A 97 -6.015 -1.973 -4.220 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.048 -4.070 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.818 -3.059 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.467 -4.666 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.769 -3.629 -6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.009 -2.052 -6.465 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.845 -1.105 -8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.495 -1.928 -9.917 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.667 -6.134 -3.882 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.949 -7.277 -3.330 1.00 0.00 C ATOM 1435 C GLU A 98 -5.141 -7.986 -4.413 1.00 0.00 C ATOM 1436 O GLU A 98 -5.641 -8.242 -5.509 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.929 -8.259 -2.684 1.00 0.00 C ATOM 1438 CG GLU A 98 -6.290 -9.153 -1.634 1.00 0.00 C ATOM 1439 CD GLU A 98 -7.255 -10.185 -1.083 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -8.225 -9.788 -0.405 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -7.038 -11.390 -1.329 1.00 0.00 O ATOM 0 H GLU A 98 -7.586 -6.357 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.260 -6.909 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.743 -7.698 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.370 -8.883 -3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.430 -9.661 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.916 -8.537 -0.816 1.00 0.00 H new