USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 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 94 ASN : amide:sc= -3.26 K(o=-3.3,f=-4.4!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 ASN : amide:sc= -0.129 K(o=-0.73,f=-1.3) USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= -0.599 USER MOD Set 3.1: A 36 SER OG : rot 8:sc= 0.241 USER MOD Set 3.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.87 X(o=-0.87,f=-0.87) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0929 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 15 SER OG : rot 180:sc= -0.518 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -109:sc= -5.79! (180deg=-11!) USER MOD Single : A 25 GLN : amide:sc= -1 K(o=-1,f=-0.21) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00882 USER MOD Single : A 48 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.8!) USER MOD Single : A 50 GLN : amide:sc= -0.0732 K(o=-0.073,f=-2.7!) USER MOD Single : A 53 SER OG : rot 16:sc= 0.177 USER MOD Single : A 61 SER OG : rot 20:sc= 0.595 USER MOD Single : A 62 SER OG : rot -144:sc= -1.59! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0795 X(o=-0.079,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.9) USER MOD Single : A 77 TYR OH : rot -57:sc= -1.91! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 68:sc= 0.589 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.882 3.461 3.589 1.00 0.00 N ATOM 44 CA LEU A 3 -15.513 3.081 3.226 1.00 0.00 C ATOM 45 C LEU A 3 -14.466 3.747 4.125 1.00 0.00 C ATOM 46 O LEU A 3 -14.606 4.911 4.506 1.00 0.00 O ATOM 47 CB LEU A 3 -15.247 3.454 1.763 1.00 0.00 C ATOM 48 CG LEU A 3 -15.775 2.446 0.727 1.00 0.00 C ATOM 49 CD1 LEU A 3 -17.186 2.809 0.272 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.832 2.363 -0.466 1.00 0.00 C ATOM 0 HA LEU A 3 -15.425 2.003 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.698 4.426 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.172 3.567 1.622 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.819 1.467 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.532 2.079 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.857 2.808 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.178 3.800 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.221 1.645 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.752 3.343 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.847 2.041 -0.129 1.00 0.00 H new ATOM 62 N GLN A 4 -13.411 2.989 4.447 1.00 0.00 N ATOM 63 CA GLN A 4 -12.321 3.480 5.285 1.00 0.00 C ATOM 64 C GLN A 4 -11.006 2.779 4.918 1.00 0.00 C ATOM 65 O GLN A 4 -11.003 1.581 4.629 1.00 0.00 O ATOM 66 CB GLN A 4 -12.654 3.241 6.766 1.00 0.00 C ATOM 67 CG GLN A 4 -12.325 4.418 7.684 1.00 0.00 C ATOM 68 CD GLN A 4 -11.494 4.021 8.898 1.00 0.00 C ATOM 69 OE1 GLN A 4 -11.957 4.116 10.035 1.00 0.00 O ATOM 70 NE2 GLN A 4 -10.263 3.572 8.662 1.00 0.00 N ATOM 0 H GLN A 4 -13.293 2.025 4.134 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.201 4.550 5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.716 3.012 6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.109 2.363 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.785 5.174 7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.254 4.877 8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.918 3.509 7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.665 3.291 9.439 1.00 0.00 H new ATOM 79 N VAL A 5 -9.896 3.526 4.954 1.00 0.00 N ATOM 80 CA VAL A 5 -8.572 2.967 4.646 1.00 0.00 C ATOM 81 C VAL A 5 -7.489 3.675 5.464 1.00 0.00 C ATOM 82 O VAL A 5 -7.544 4.894 5.650 1.00 0.00 O ATOM 83 CB VAL A 5 -8.199 3.073 3.140 1.00 0.00 C ATOM 84 CG1 VAL A 5 -6.986 2.206 2.828 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.362 2.684 2.235 1.00 0.00 C ATOM 0 H VAL A 5 -9.887 4.518 5.193 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.626 1.910 4.906 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.957 4.117 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.739 2.293 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.138 2.538 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.212 1.166 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.057 2.773 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.655 1.655 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.207 3.346 2.423 1.00 0.00 H new ATOM 95 N ASP A 6 -6.500 2.906 5.934 1.00 0.00 N ATOM 96 CA ASP A 6 -5.394 3.462 6.716 1.00 0.00 C ATOM 97 C ASP A 6 -4.197 2.516 6.690 1.00 0.00 C ATOM 98 O ASP A 6 -4.325 1.344 7.032 1.00 0.00 O ATOM 99 CB ASP A 6 -5.820 3.729 8.160 1.00 0.00 C ATOM 100 CG ASP A 6 -6.567 5.039 8.310 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.177 6.025 7.650 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.543 5.080 9.088 1.00 0.00 O ATOM 0 H ASP A 6 -6.445 1.898 5.786 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.107 4.411 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.453 2.912 8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.938 3.742 8.800 1.00 0.00 H new ATOM 107 N ILE A 7 -3.042 3.033 6.272 1.00 0.00 N ATOM 108 CA ILE A 7 -1.818 2.232 6.183 1.00 0.00 C ATOM 109 C ILE A 7 -1.011 2.322 7.481 1.00 0.00 C ATOM 110 O ILE A 7 -0.932 3.385 8.098 1.00 0.00 O ATOM 111 CB ILE A 7 -0.949 2.671 4.970 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.796 2.684 3.692 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.254 1.750 4.788 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.095 3.305 2.503 1.00 0.00 C ATOM 0 H ILE A 7 -2.927 4.006 5.988 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.111 1.193 6.032 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.579 3.677 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.077 1.661 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.719 3.231 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.841 2.083 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.872 1.777 5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.091 0.730 4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.756 3.278 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.838 4.339 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.186 2.745 2.283 1.00 0.00 H new ATOM 126 N VAL A 8 -0.420 1.190 7.886 1.00 0.00 N ATOM 127 CA VAL A 8 0.379 1.115 9.112 1.00 0.00 C ATOM 128 C VAL A 8 1.773 0.529 8.803 1.00 0.00 C ATOM 129 O VAL A 8 1.858 -0.534 8.184 1.00 0.00 O ATOM 130 CB VAL A 8 -0.310 0.227 10.187 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.413 0.322 11.524 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.777 0.604 10.354 1.00 0.00 C ATOM 0 H VAL A 8 -0.482 0.309 7.377 1.00 0.00 H new ATOM 0 HA VAL A 8 0.475 2.128 9.502 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.257 -0.805 9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.091 -0.309 12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.444 -0.013 11.405 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.405 1.356 11.869 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.232 -0.033 11.112 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.852 1.646 10.664 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.298 0.469 9.406 1.00 0.00 H new ATOM 142 N PRO A 9 2.895 1.189 9.215 1.00 0.00 N ATOM 143 CA PRO A 9 2.904 2.465 9.959 1.00 0.00 C ATOM 144 C PRO A 9 2.669 3.667 9.042 1.00 0.00 C ATOM 145 O PRO A 9 2.616 3.519 7.820 1.00 0.00 O ATOM 146 CB PRO A 9 4.310 2.503 10.552 1.00 0.00 C ATOM 147 CG PRO A 9 5.147 1.789 9.551 1.00 0.00 C ATOM 148 CD PRO A 9 4.271 0.708 8.968 1.00 0.00 C ATOM 0 HA PRO A 9 2.110 2.521 10.704 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.652 3.527 10.700 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.346 2.012 11.524 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.493 2.471 8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.034 1.362 10.018 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.461 0.572 7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.450 -0.253 9.449 1.00 0.00 H new ATOM 156 N SER A 10 2.534 4.854 9.643 1.00 0.00 N ATOM 157 CA SER A 10 2.310 6.084 8.882 1.00 0.00 C ATOM 158 C SER A 10 3.578 6.491 8.131 1.00 0.00 C ATOM 159 O SER A 10 3.531 6.802 6.939 1.00 0.00 O ATOM 160 CB SER A 10 1.866 7.217 9.811 1.00 0.00 C ATOM 161 OG SER A 10 2.894 7.559 10.724 1.00 0.00 O ATOM 0 H SER A 10 2.576 4.987 10.653 1.00 0.00 H new ATOM 0 HA SER A 10 1.519 5.895 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.595 8.091 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.974 6.914 10.359 1.00 0.00 H new ATOM 0 HG SER A 10 2.587 8.286 11.305 1.00 0.00 H new ATOM 167 N GLN A 11 4.714 6.474 8.839 1.00 0.00 N ATOM 168 CA GLN A 11 6.012 6.829 8.253 1.00 0.00 C ATOM 169 C GLN A 11 7.035 5.733 8.542 1.00 0.00 C ATOM 170 O GLN A 11 7.535 5.624 9.665 1.00 0.00 O ATOM 171 CB GLN A 11 6.500 8.175 8.806 1.00 0.00 C ATOM 172 CG GLN A 11 6.611 8.215 10.328 1.00 0.00 C ATOM 173 CD GLN A 11 6.264 9.574 10.916 1.00 0.00 C ATOM 174 OE1 GLN A 11 6.561 10.612 10.323 1.00 0.00 O ATOM 175 NE2 GLN A 11 5.631 9.578 12.088 1.00 0.00 N ATOM 0 H GLN A 11 4.760 6.216 9.825 1.00 0.00 H new ATOM 0 HA GLN A 11 5.894 6.923 7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.475 8.402 8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.817 8.960 8.481 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.949 7.461 10.755 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.627 7.948 10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.403 8.696 12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.375 10.463 12.526 1.00 0.00 H new ATOM 184 N GLY A 12 7.317 4.904 7.527 1.00 0.00 N ATOM 185 CA GLY A 12 8.255 3.801 7.686 1.00 0.00 C ATOM 186 C GLY A 12 9.617 4.046 7.057 1.00 0.00 C ATOM 187 O GLY A 12 9.793 3.842 5.853 1.00 0.00 O ATOM 0 H GLY A 12 6.908 4.981 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.389 3.603 8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.821 2.903 7.247 1.00 0.00 H new ATOM 191 N GLU A 13 10.592 4.440 7.885 1.00 0.00 N ATOM 192 CA GLU A 13 11.957 4.660 7.416 1.00 0.00 C ATOM 193 C GLU A 13 12.669 3.308 7.387 1.00 0.00 C ATOM 194 O GLU A 13 12.401 2.457 8.241 1.00 0.00 O ATOM 195 CB GLU A 13 12.698 5.634 8.339 1.00 0.00 C ATOM 196 CG GLU A 13 12.443 7.097 8.008 1.00 0.00 C ATOM 197 CD GLU A 13 12.558 8.004 9.218 1.00 0.00 C ATOM 198 OE1 GLU A 13 11.951 7.683 10.262 1.00 0.00 O ATOM 199 OE2 GLU A 13 13.255 9.036 9.123 1.00 0.00 O ATOM 0 H GLU A 13 10.457 4.612 8.881 1.00 0.00 H new ATOM 0 HA GLU A 13 11.941 5.101 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.398 5.445 9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.768 5.437 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.154 7.422 7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.447 7.199 7.577 1.00 0.00 H new ATOM 206 N ILE A 14 13.536 3.090 6.396 1.00 0.00 N ATOM 207 CA ILE A 14 14.230 1.807 6.264 1.00 0.00 C ATOM 208 C ILE A 14 15.609 1.986 5.609 1.00 0.00 C ATOM 209 O ILE A 14 15.855 2.974 4.933 1.00 0.00 O ATOM 210 CB ILE A 14 13.289 0.818 5.473 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.260 0.206 6.450 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.019 -0.290 4.688 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.903 0.886 6.420 1.00 0.00 C ATOM 0 H ILE A 14 13.773 3.777 5.680 1.00 0.00 H new ATOM 0 HA ILE A 14 14.433 1.378 7.245 1.00 0.00 H new ATOM 0 HB ILE A 14 12.794 1.416 4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.132 -0.850 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.659 0.259 7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.287 -0.917 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.684 0.163 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.603 -0.900 5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.237 0.400 7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.016 1.936 6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.480 0.811 5.418 1.00 0.00 H new ATOM 225 N SER A 15 16.502 1.015 5.826 1.00 0.00 N ATOM 226 CA SER A 15 17.843 1.046 5.248 1.00 0.00 C ATOM 227 C SER A 15 17.899 0.133 4.024 1.00 0.00 C ATOM 228 O SER A 15 17.162 -0.862 3.940 1.00 0.00 O ATOM 229 CB SER A 15 18.892 0.603 6.276 1.00 0.00 C ATOM 230 OG SER A 15 18.336 -0.275 7.240 1.00 0.00 O ATOM 0 H SER A 15 16.315 0.194 6.402 1.00 0.00 H new ATOM 0 HA SER A 15 18.066 2.070 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.718 0.108 5.765 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.306 1.479 6.776 1.00 0.00 H new ATOM 0 HG SER A 15 19.030 -0.540 7.880 1.00 0.00 H new ATOM 236 N VAL A 16 18.796 0.450 3.083 1.00 0.00 N ATOM 237 CA VAL A 16 18.948 -0.370 1.881 1.00 0.00 C ATOM 238 C VAL A 16 19.531 -1.725 2.263 1.00 0.00 C ATOM 239 O VAL A 16 20.542 -1.804 2.966 1.00 0.00 O ATOM 240 CB VAL A 16 19.828 0.311 0.801 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.924 -0.543 -0.476 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.288 1.702 0.485 1.00 0.00 C ATOM 0 H VAL A 16 19.418 1.257 3.131 1.00 0.00 H new ATOM 0 HA VAL A 16 17.959 -0.499 1.442 1.00 0.00 H new ATOM 0 HB VAL A 16 20.837 0.407 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.549 -0.033 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.365 -1.510 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.927 -0.692 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.913 2.171 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.266 1.620 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.298 2.310 1.389 1.00 0.00 H new ATOM 252 N GLY A 17 18.851 -2.783 1.829 1.00 0.00 N ATOM 253 CA GLY A 17 19.258 -4.135 2.159 1.00 0.00 C ATOM 254 C GLY A 17 18.257 -4.819 3.083 1.00 0.00 C ATOM 255 O GLY A 17 18.304 -6.041 3.239 1.00 0.00 O ATOM 0 H GLY A 17 18.015 -2.724 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.363 -4.717 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.237 -4.113 2.637 1.00 0.00 H new ATOM 259 N GLU A 18 17.333 -4.037 3.694 1.00 0.00 N ATOM 260 CA GLU A 18 16.319 -4.606 4.590 1.00 0.00 C ATOM 261 C GLU A 18 14.917 -4.412 3.998 1.00 0.00 C ATOM 262 O GLU A 18 14.659 -3.418 3.316 1.00 0.00 O ATOM 263 CB GLU A 18 16.462 -4.028 6.017 1.00 0.00 C ATOM 264 CG GLU A 18 15.913 -2.626 6.226 1.00 0.00 C ATOM 265 CD GLU A 18 15.616 -2.330 7.684 1.00 0.00 C ATOM 266 OE1 GLU A 18 14.685 -2.952 8.239 1.00 0.00 O ATOM 267 OE2 GLU A 18 16.312 -1.473 8.271 1.00 0.00 O ATOM 0 H GLU A 18 17.276 -3.025 3.579 1.00 0.00 H new ATOM 0 HA GLU A 18 16.477 -5.681 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.960 -4.701 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.519 -4.026 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.632 -1.898 5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.001 -2.505 5.641 1.00 0.00 H new ATOM 274 N SER A 19 14.035 -5.389 4.232 1.00 0.00 N ATOM 275 CA SER A 19 12.675 -5.353 3.689 1.00 0.00 C ATOM 276 C SER A 19 11.730 -4.488 4.528 1.00 0.00 C ATOM 277 O SER A 19 12.094 -4.022 5.609 1.00 0.00 O ATOM 278 CB SER A 19 12.126 -6.774 3.559 1.00 0.00 C ATOM 279 OG SER A 19 12.081 -7.424 4.818 1.00 0.00 O ATOM 0 H SER A 19 14.240 -6.215 4.794 1.00 0.00 H new ATOM 0 HA SER A 19 12.731 -4.893 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.126 -6.742 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.751 -7.347 2.873 1.00 0.00 H new ATOM 0 HG SER A 19 11.725 -8.330 4.706 1.00 0.00 H new ATOM 285 N LYS A 20 10.516 -4.263 4.000 1.00 0.00 N ATOM 286 CA LYS A 20 9.507 -3.433 4.674 1.00 0.00 C ATOM 287 C LYS A 20 8.113 -3.650 4.082 1.00 0.00 C ATOM 288 O LYS A 20 7.892 -3.396 2.897 1.00 0.00 O ATOM 289 CB LYS A 20 9.867 -1.933 4.572 1.00 0.00 C ATOM 290 CG LYS A 20 10.544 -1.531 3.256 1.00 0.00 C ATOM 291 CD LYS A 20 9.930 -0.277 2.628 1.00 0.00 C ATOM 292 CE LYS A 20 10.955 0.544 1.844 1.00 0.00 C ATOM 293 NZ LYS A 20 10.422 1.031 0.531 1.00 0.00 N ATOM 0 H LYS A 20 10.210 -4.646 3.106 1.00 0.00 H new ATOM 0 HA LYS A 20 9.498 -3.736 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.957 -1.345 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.527 -1.673 5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.605 -1.358 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.472 -2.358 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.117 -0.568 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.495 0.343 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.266 1.399 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.843 -0.063 1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.883 0.513 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.395 0.871 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.618 2.048 0.432 1.00 0.00 H new ATOM 307 N PHE A 21 7.165 -4.081 4.926 1.00 0.00 N ATOM 308 CA PHE A 21 5.773 -4.291 4.495 1.00 0.00 C ATOM 309 C PHE A 21 4.841 -3.306 5.191 1.00 0.00 C ATOM 310 O PHE A 21 5.049 -2.965 6.358 1.00 0.00 O ATOM 311 CB PHE A 21 5.304 -5.733 4.739 1.00 0.00 C ATOM 312 CG PHE A 21 5.300 -6.173 6.173 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.232 -5.876 7.011 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.364 -6.897 6.675 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.234 -6.293 8.328 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.372 -7.318 7.993 1.00 0.00 C ATOM 317 CZ PHE A 21 5.306 -7.015 8.821 1.00 0.00 C ATOM 0 H PHE A 21 7.335 -4.291 5.910 1.00 0.00 H new ATOM 0 HA PHE A 21 5.739 -4.113 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.295 -5.842 4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.946 -6.407 4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.393 -5.314 6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.198 -7.137 6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.400 -6.056 8.972 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.210 -7.883 8.375 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.311 -7.342 9.850 1.00 0.00 H new ATOM 327 N PHE A 22 3.818 -2.839 4.462 1.00 0.00 N ATOM 328 CA PHE A 22 2.854 -1.869 5.007 1.00 0.00 C ATOM 329 C PHE A 22 1.434 -2.436 4.999 1.00 0.00 C ATOM 330 O PHE A 22 0.878 -2.736 3.947 1.00 0.00 O ATOM 331 CB PHE A 22 2.950 -0.564 4.221 1.00 0.00 C ATOM 332 CG PHE A 22 4.324 0.033 4.319 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.322 -0.353 3.439 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.628 0.944 5.316 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.599 0.165 3.550 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.904 1.461 5.435 1.00 0.00 C ATOM 337 CZ PHE A 22 6.890 1.069 4.550 1.00 0.00 C ATOM 0 H PHE A 22 3.636 -3.115 3.497 1.00 0.00 H new ATOM 0 HA PHE A 22 3.101 -1.664 6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.705 -0.748 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.215 0.146 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.100 -1.066 2.658 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.859 1.254 6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.368 -0.138 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.130 2.170 6.218 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.888 1.470 4.641 1.00 0.00 H new ATOM 347 N LEU A 23 0.874 -2.610 6.199 1.00 0.00 N ATOM 348 CA LEU A 23 -0.461 -3.193 6.365 1.00 0.00 C ATOM 349 C LEU A 23 -1.601 -2.205 6.101 1.00 0.00 C ATOM 350 O LEU A 23 -1.821 -1.282 6.881 1.00 0.00 O ATOM 351 CB LEU A 23 -0.590 -3.755 7.784 1.00 0.00 C ATOM 352 CG LEU A 23 -1.717 -4.758 7.986 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.530 -5.954 7.064 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.774 -5.207 9.438 1.00 0.00 C ATOM 0 H LEU A 23 1.328 -2.354 7.076 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.557 -3.981 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.352 -4.232 8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.737 -2.924 8.474 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.662 -4.275 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.343 -6.663 7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.534 -5.618 6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.579 -6.438 7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.585 -5.924 9.566 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.829 -5.676 9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.949 -4.343 10.079 1.00 0.00 H new ATOM 366 N CYS A 24 -2.347 -2.431 5.009 1.00 0.00 N ATOM 367 CA CYS A 24 -3.486 -1.572 4.658 1.00 0.00 C ATOM 368 C CYS A 24 -4.786 -2.117 5.243 1.00 0.00 C ATOM 369 O CYS A 24 -5.373 -3.061 4.703 1.00 0.00 O ATOM 370 CB CYS A 24 -3.624 -1.422 3.139 1.00 0.00 C ATOM 371 SG CYS A 24 -4.444 0.120 2.620 1.00 0.00 S ATOM 0 H CYS A 24 -2.182 -3.198 4.357 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.292 -0.589 5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.632 -1.464 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.187 -2.270 2.750 1.00 0.00 H new ATOM 376 N GLN A 25 -5.235 -1.501 6.341 1.00 0.00 N ATOM 377 CA GLN A 25 -6.472 -1.894 7.005 1.00 0.00 C ATOM 378 C GLN A 25 -7.636 -1.091 6.434 1.00 0.00 C ATOM 379 O GLN A 25 -7.419 -0.067 5.776 1.00 0.00 O ATOM 380 CB GLN A 25 -6.359 -1.670 8.517 1.00 0.00 C ATOM 381 CG GLN A 25 -5.651 -2.807 9.256 1.00 0.00 C ATOM 382 CD GLN A 25 -4.625 -2.317 10.267 1.00 0.00 C ATOM 383 OE1 GLN A 25 -4.979 -1.890 11.366 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.346 -2.373 9.898 1.00 0.00 N ATOM 0 H GLN A 25 -4.752 -0.722 6.788 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.651 -2.955 6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.820 -0.740 8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.359 -1.546 8.933 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.395 -3.417 9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.156 -3.452 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.096 -2.734 8.977 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.617 -2.055 10.536 1.00 0.00 H new ATOM 393 N VAL A 26 -8.867 -1.560 6.670 1.00 0.00 N ATOM 394 CA VAL A 26 -10.055 -0.881 6.154 1.00 0.00 C ATOM 395 C VAL A 26 -11.194 -0.845 7.182 1.00 0.00 C ATOM 396 O VAL A 26 -11.110 -1.475 8.238 1.00 0.00 O ATOM 397 CB VAL A 26 -10.544 -1.555 4.840 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.429 -1.546 3.798 1.00 0.00 C ATOM 399 CG2 VAL A 26 -11.050 -2.990 5.075 1.00 0.00 C ATOM 0 H VAL A 26 -9.063 -2.402 7.212 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.767 0.149 5.944 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.388 -0.974 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.783 -2.020 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.138 -0.517 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.568 -2.094 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.381 -3.419 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.244 -3.597 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.884 -2.971 5.776 1.00 0.00 H new ATOM 409 N ALA A 27 -12.261 -0.115 6.845 1.00 0.00 N ATOM 410 CA ALA A 27 -13.432 -0.002 7.711 1.00 0.00 C ATOM 411 C ALA A 27 -14.638 0.501 6.915 1.00 0.00 C ATOM 412 O ALA A 27 -14.481 0.997 5.794 1.00 0.00 O ATOM 413 CB ALA A 27 -13.138 0.908 8.905 1.00 0.00 C ATOM 0 H ALA A 27 -12.335 0.408 5.973 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.672 -0.992 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.024 0.978 9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.312 0.494 9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.868 1.902 8.547 1.00 0.00 H new ATOM 504 N ASP A 34 -12.731 -2.870 -3.105 1.00 0.00 N ATOM 505 CA ASP A 34 -11.528 -3.416 -3.735 1.00 0.00 C ATOM 506 C ASP A 34 -10.298 -2.673 -3.223 1.00 0.00 C ATOM 507 O ASP A 34 -10.421 -1.537 -2.782 1.00 0.00 O ATOM 508 CB ASP A 34 -11.622 -3.260 -5.257 1.00 0.00 C ATOM 509 CG ASP A 34 -10.595 -4.098 -5.995 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.396 -3.753 -5.939 1.00 0.00 O ATOM 511 OD2 ASP A 34 -10.992 -5.098 -6.630 1.00 0.00 O ATOM 0 HA ASP A 34 -11.443 -4.474 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.621 -3.544 -5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.486 -2.211 -5.520 1.00 0.00 H new ATOM 516 N ILE A 35 -9.117 -3.309 -3.287 1.00 0.00 N ATOM 517 CA ILE A 35 -7.863 -2.681 -2.827 1.00 0.00 C ATOM 518 C ILE A 35 -6.897 -2.446 -4.000 1.00 0.00 C ATOM 519 O ILE A 35 -6.920 -3.178 -4.992 1.00 0.00 O ATOM 520 CB ILE A 35 -7.149 -3.536 -1.734 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.114 -3.945 -0.603 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.938 -2.796 -1.155 1.00 0.00 C ATOM 523 CD1 ILE A 35 -8.875 -2.801 0.033 1.00 0.00 C ATOM 0 H ILE A 35 -9.002 -4.255 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.139 -1.722 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.800 -4.446 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.832 -4.663 -1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.545 -4.458 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.461 -3.416 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.225 -2.585 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.265 -1.859 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.527 -3.188 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.170 -2.091 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.477 -2.299 -0.724 1.00 0.00 H new ATOM 535 N SER A 36 -6.043 -1.420 -3.864 1.00 0.00 N ATOM 536 CA SER A 36 -5.055 -1.075 -4.893 1.00 0.00 C ATOM 537 C SER A 36 -3.824 -0.414 -4.262 1.00 0.00 C ATOM 538 O SER A 36 -3.915 0.143 -3.168 1.00 0.00 O ATOM 539 CB SER A 36 -5.671 -0.141 -5.935 1.00 0.00 C ATOM 540 OG SER A 36 -6.577 -0.837 -6.773 1.00 0.00 O ATOM 0 H SER A 36 -6.019 -0.812 -3.045 1.00 0.00 H new ATOM 0 HA SER A 36 -4.743 -1.996 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.189 0.676 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.881 0.305 -6.540 1.00 0.00 H new ATOM 0 HG SER A 36 -6.718 -1.741 -6.423 1.00 0.00 H new ATOM 546 N TRP A 37 -2.676 -0.480 -4.956 1.00 0.00 N ATOM 547 CA TRP A 37 -1.420 0.108 -4.461 1.00 0.00 C ATOM 548 C TRP A 37 -0.699 0.893 -5.566 1.00 0.00 C ATOM 549 O TRP A 37 -0.522 0.383 -6.676 1.00 0.00 O ATOM 550 CB TRP A 37 -0.491 -0.998 -3.936 1.00 0.00 C ATOM 551 CG TRP A 37 -0.802 -1.449 -2.538 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.570 -2.520 -2.180 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.346 -0.855 -1.313 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.619 -2.629 -0.811 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.878 -1.620 -0.258 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.459 0.249 -1.004 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.629 -1.320 1.079 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.701 0.546 0.326 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.161 -0.237 1.352 1.00 0.00 C ATOM 0 H TRP A 37 -2.592 -0.936 -5.864 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.670 0.795 -3.653 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.552 -1.856 -4.605 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.538 -0.640 -3.970 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.066 -3.184 -2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.126 -3.346 -0.291 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.883 0.857 -1.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.045 -1.922 1.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.317 1.397 0.576 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.372 0.019 2.380 1.00 0.00 H new ATOM 570 N PHE A 38 -0.274 2.132 -5.255 1.00 0.00 N ATOM 571 CA PHE A 38 0.433 2.978 -6.233 1.00 0.00 C ATOM 572 C PHE A 38 1.825 3.381 -5.761 1.00 0.00 C ATOM 573 O PHE A 38 1.978 4.071 -4.753 1.00 0.00 O ATOM 574 CB PHE A 38 -0.389 4.222 -6.557 1.00 0.00 C ATOM 575 CG PHE A 38 -1.683 3.891 -7.227 1.00 0.00 C ATOM 576 CD1 PHE A 38 -2.798 3.594 -6.468 1.00 0.00 C ATOM 577 CD2 PHE A 38 -1.782 3.858 -8.609 1.00 0.00 C ATOM 578 CE1 PHE A 38 -3.997 3.271 -7.071 1.00 0.00 C ATOM 579 CE2 PHE A 38 -2.980 3.536 -9.220 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.089 3.242 -8.450 1.00 0.00 C ATOM 0 H PHE A 38 -0.407 2.566 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 38 0.558 2.379 -7.135 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.589 4.772 -5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.193 4.881 -7.202 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.731 3.615 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.917 4.086 -9.214 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.862 3.041 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.049 3.514 -10.298 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.026 2.990 -8.925 1.00 0.00 H new ATOM 590 N SER A 39 2.837 2.949 -6.519 1.00 0.00 N ATOM 591 CA SER A 39 4.226 3.256 -6.212 1.00 0.00 C ATOM 592 C SER A 39 4.519 4.745 -6.435 1.00 0.00 C ATOM 593 O SER A 39 3.872 5.374 -7.300 1.00 0.00 O ATOM 594 CB SER A 39 5.178 2.409 -7.059 1.00 0.00 C ATOM 595 OG SER A 39 4.875 2.521 -8.438 1.00 0.00 O ATOM 0 H SER A 39 2.712 2.380 -7.357 1.00 0.00 H new ATOM 0 HA SER A 39 4.389 3.018 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.206 2.727 -6.883 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.110 1.365 -6.753 1.00 0.00 H new ATOM 0 HG SER A 39 5.499 1.971 -8.956 1.00 0.00 H new ATOM 601 N PRO A 40 5.504 5.317 -5.652 1.00 0.00 N ATOM 602 CA PRO A 40 5.915 6.741 -5.710 1.00 0.00 C ATOM 603 C PRO A 40 6.083 7.334 -7.106 1.00 0.00 C ATOM 604 O PRO A 40 6.027 8.558 -7.257 1.00 0.00 O ATOM 605 CB PRO A 40 7.260 6.744 -4.983 1.00 0.00 C ATOM 606 CG PRO A 40 7.132 5.666 -3.972 1.00 0.00 C ATOM 607 CD PRO A 40 6.301 4.594 -4.619 1.00 0.00 C ATOM 0 HA PRO A 40 5.135 7.364 -5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.084 6.550 -5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.457 7.708 -4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.111 5.282 -3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.655 6.036 -3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.927 3.822 -5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.656 4.099 -3.893 1.00 0.00 H new ATOM 651 N LYS A 44 0.499 2.304 -10.450 1.00 0.00 N ATOM 652 CA LYS A 44 0.123 1.100 -9.699 1.00 0.00 C ATOM 653 C LYS A 44 1.180 -0.001 -9.772 1.00 0.00 C ATOM 654 O LYS A 44 1.490 -0.509 -10.853 1.00 0.00 O ATOM 655 CB LYS A 44 -1.222 0.549 -10.168 1.00 0.00 C ATOM 656 CG LYS A 44 -1.932 -0.257 -9.090 1.00 0.00 C ATOM 657 CD LYS A 44 -2.947 -1.220 -9.683 1.00 0.00 C ATOM 658 CE LYS A 44 -3.875 -1.770 -8.612 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.854 -2.745 -9.170 1.00 0.00 N ATOM 0 HA LYS A 44 0.042 1.414 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.861 1.376 -10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.067 -0.080 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.197 -0.815 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.434 0.421 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.532 -0.710 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.428 -2.042 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.284 -2.254 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.412 -0.947 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.468 -3.096 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.435 -2.277 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.343 -3.543 -9.598 1.00 0.00 H new ATOM 673 N LEU A 45 1.714 -0.367 -8.604 1.00 0.00 N ATOM 674 CA LEU A 45 2.726 -1.415 -8.515 1.00 0.00 C ATOM 675 C LEU A 45 2.067 -2.791 -8.593 1.00 0.00 C ATOM 676 O LEU A 45 1.064 -3.044 -7.922 1.00 0.00 O ATOM 677 CB LEU A 45 3.549 -1.274 -7.227 1.00 0.00 C ATOM 678 CG LEU A 45 2.740 -1.224 -5.912 1.00 0.00 C ATOM 679 CD1 LEU A 45 2.671 -2.594 -5.260 1.00 0.00 C ATOM 680 CD2 LEU A 45 3.339 -0.212 -4.940 1.00 0.00 C ATOM 0 H LEU A 45 1.460 0.049 -7.708 1.00 0.00 H new ATOM 0 HA LEU A 45 3.409 -1.310 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.246 -2.110 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.147 -0.365 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 45 1.727 -0.909 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.096 -2.529 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.188 -3.296 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.679 -2.941 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.751 -0.196 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.366 -0.494 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.329 0.779 -5.394 1.00 0.00 H new ATOM 692 N SER A 46 2.623 -3.664 -9.439 1.00 0.00 N ATOM 693 CA SER A 46 2.077 -5.009 -9.631 1.00 0.00 C ATOM 694 C SER A 46 2.359 -5.915 -8.425 1.00 0.00 C ATOM 695 O SER A 46 3.238 -5.612 -7.617 1.00 0.00 O ATOM 696 CB SER A 46 2.649 -5.644 -10.903 1.00 0.00 C ATOM 697 OG SER A 46 2.897 -4.665 -11.897 1.00 0.00 O ATOM 0 H SER A 46 3.450 -3.462 -10.001 1.00 0.00 H new ATOM 0 HA SER A 46 0.996 -4.909 -9.732 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.575 -6.168 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.951 -6.388 -11.287 1.00 0.00 H new ATOM 0 HG SER A 46 3.263 -5.097 -12.697 1.00 0.00 H new ATOM 703 N PRO A 47 1.621 -7.052 -8.287 1.00 0.00 N ATOM 704 CA PRO A 47 1.814 -7.993 -7.178 1.00 0.00 C ATOM 705 C PRO A 47 3.070 -8.858 -7.362 1.00 0.00 C ATOM 706 O PRO A 47 3.681 -9.287 -6.381 1.00 0.00 O ATOM 707 CB PRO A 47 0.534 -8.864 -7.200 1.00 0.00 C ATOM 708 CG PRO A 47 -0.345 -8.284 -8.263 1.00 0.00 C ATOM 709 CD PRO A 47 0.555 -7.524 -9.190 1.00 0.00 C ATOM 0 HA PRO A 47 1.964 -7.477 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.774 -9.905 -7.418 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.035 -8.848 -6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.878 -9.070 -8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.098 -7.627 -7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.948 -8.159 -9.984 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.035 -6.696 -9.671 1.00 0.00 H new ATOM 717 N ASN A 48 3.447 -9.104 -8.624 1.00 0.00 N ATOM 718 CA ASN A 48 4.621 -9.909 -8.948 1.00 0.00 C ATOM 719 C ASN A 48 5.392 -9.263 -10.105 1.00 0.00 C ATOM 720 O ASN A 48 5.306 -9.703 -11.257 1.00 0.00 O ATOM 721 CB ASN A 48 4.200 -11.339 -9.302 1.00 0.00 C ATOM 722 CG ASN A 48 3.959 -12.197 -8.070 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.814 -12.993 -7.682 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.792 -12.041 -7.446 1.00 0.00 N ATOM 0 H ASN A 48 2.947 -8.751 -9.440 1.00 0.00 H new ATOM 0 HA ASN A 48 5.277 -9.954 -8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.291 -11.308 -9.903 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.973 -11.800 -9.916 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.581 -12.592 -6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.110 -11.370 -7.800 1.00 0.00 H new ATOM 731 N GLN A 49 6.145 -8.205 -9.784 1.00 0.00 N ATOM 732 CA GLN A 49 6.940 -7.474 -10.782 1.00 0.00 C ATOM 733 C GLN A 49 8.413 -7.416 -10.385 1.00 0.00 C ATOM 734 O GLN A 49 9.280 -7.876 -11.130 1.00 0.00 O ATOM 735 CB GLN A 49 6.397 -6.047 -11.005 1.00 0.00 C ATOM 736 CG GLN A 49 5.984 -5.287 -9.735 1.00 0.00 C ATOM 737 CD GLN A 49 6.908 -4.123 -9.390 1.00 0.00 C ATOM 738 OE1 GLN A 49 7.596 -3.587 -10.257 1.00 0.00 O ATOM 739 NE2 GLN A 49 6.921 -3.721 -8.118 1.00 0.00 N ATOM 0 H GLN A 49 6.222 -7.833 -8.837 1.00 0.00 H new ATOM 0 HA GLN A 49 6.855 -8.024 -11.719 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.159 -5.465 -11.524 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.534 -6.106 -11.668 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.970 -4.909 -9.862 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.962 -5.983 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.335 -4.192 -7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.517 -2.943 -7.835 1.00 0.00 H new ATOM 748 N GLN A 50 8.692 -6.840 -9.213 1.00 0.00 N ATOM 749 CA GLN A 50 10.065 -6.708 -8.714 1.00 0.00 C ATOM 750 C GLN A 50 10.098 -6.977 -7.201 1.00 0.00 C ATOM 751 O GLN A 50 9.170 -7.587 -6.665 1.00 0.00 O ATOM 752 CB GLN A 50 10.613 -5.303 -9.043 1.00 0.00 C ATOM 753 CG GLN A 50 10.347 -4.841 -10.470 1.00 0.00 C ATOM 754 CD GLN A 50 11.226 -5.537 -11.501 1.00 0.00 C ATOM 755 OE1 GLN A 50 11.883 -6.538 -11.207 1.00 0.00 O ATOM 756 NE2 GLN A 50 11.243 -5.009 -12.724 1.00 0.00 N ATOM 0 H GLN A 50 7.983 -6.456 -8.589 1.00 0.00 H new ATOM 0 HA GLN A 50 10.703 -7.443 -9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.172 -4.584 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.689 -5.295 -8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.300 -5.021 -10.714 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.508 -3.765 -10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.686 -4.180 -12.929 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.813 -5.434 -13.455 1.00 0.00 H new ATOM 765 N ARG A 51 11.159 -6.522 -6.511 1.00 0.00 N ATOM 766 CA ARG A 51 11.302 -6.715 -5.059 1.00 0.00 C ATOM 767 C ARG A 51 10.049 -6.281 -4.281 1.00 0.00 C ATOM 768 O ARG A 51 9.784 -6.795 -3.191 1.00 0.00 O ATOM 769 CB ARG A 51 12.517 -5.942 -4.544 1.00 0.00 C ATOM 770 CG ARG A 51 13.815 -6.326 -5.250 1.00 0.00 C ATOM 771 CD ARG A 51 14.692 -5.114 -5.542 1.00 0.00 C ATOM 772 NE ARG A 51 15.963 -5.490 -6.171 1.00 0.00 N ATOM 773 CZ ARG A 51 16.735 -4.663 -6.893 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.392 -3.390 -7.094 1.00 0.00 N ATOM 775 NH2 ARG A 51 17.867 -5.117 -7.416 1.00 0.00 N ATOM 0 H ARG A 51 11.933 -6.015 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 51 11.439 -7.783 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.342 -4.874 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.626 -6.119 -3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.368 -7.032 -4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.581 -6.837 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.154 -4.427 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.892 -4.580 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 51 16.284 -6.451 -6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.527 -3.026 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.995 -2.780 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 51 18.144 -6.087 -7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.460 -4.496 -7.966 1.00 0.00 H new ATOM 789 N ILE A 52 9.284 -5.337 -4.849 1.00 0.00 N ATOM 790 CA ILE A 52 8.065 -4.847 -4.208 1.00 0.00 C ATOM 791 C ILE A 52 6.882 -5.771 -4.510 1.00 0.00 C ATOM 792 O ILE A 52 6.240 -5.650 -5.557 1.00 0.00 O ATOM 793 CB ILE A 52 7.725 -3.395 -4.648 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.939 -2.479 -4.430 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.502 -2.865 -3.888 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.740 -1.063 -4.928 1.00 0.00 C ATOM 0 H ILE A 52 9.491 -4.902 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 52 8.249 -4.841 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 52 7.481 -3.404 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.172 -2.449 -3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.803 -2.912 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.284 -1.848 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.642 -3.503 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.710 -2.867 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.641 -0.480 -4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.538 -1.079 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.897 -0.609 -4.407 1.00 0.00 H new ATOM 808 N SER A 53 6.597 -6.681 -3.575 1.00 0.00 N ATOM 809 CA SER A 53 5.489 -7.620 -3.715 1.00 0.00 C ATOM 810 C SER A 53 4.233 -7.073 -3.032 1.00 0.00 C ATOM 811 O SER A 53 4.299 -6.076 -2.311 1.00 0.00 O ATOM 812 CB SER A 53 5.870 -8.972 -3.110 1.00 0.00 C ATOM 813 OG SER A 53 5.097 -10.018 -3.673 1.00 0.00 O ATOM 0 H SER A 53 7.124 -6.785 -2.708 1.00 0.00 H new ATOM 0 HA SER A 53 5.276 -7.752 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.929 -9.165 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.721 -8.946 -2.031 1.00 0.00 H new ATOM 0 HG SER A 53 4.664 -9.700 -4.493 1.00 0.00 H new ATOM 819 N VAL A 54 3.093 -7.731 -3.264 1.00 0.00 N ATOM 820 CA VAL A 54 1.814 -7.319 -2.671 1.00 0.00 C ATOM 821 C VAL A 54 1.006 -8.553 -2.284 1.00 0.00 C ATOM 822 O VAL A 54 1.261 -9.645 -2.802 1.00 0.00 O ATOM 823 CB VAL A 54 0.970 -6.452 -3.644 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.201 -5.803 -2.915 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.825 -5.389 -4.320 1.00 0.00 C ATOM 0 H VAL A 54 3.029 -8.555 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 54 2.043 -6.717 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 54 0.576 -7.113 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.778 -5.201 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.840 -6.578 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.176 -5.166 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.205 -4.799 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.260 -4.737 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.622 -5.870 -4.887 1.00 0.00 H new ATOM 835 N VAL A 55 0.035 -8.387 -1.376 1.00 0.00 N ATOM 836 CA VAL A 55 -0.789 -9.513 -0.941 1.00 0.00 C ATOM 837 C VAL A 55 -2.117 -9.055 -0.319 1.00 0.00 C ATOM 838 O VAL A 55 -2.160 -8.116 0.471 1.00 0.00 O ATOM 839 CB VAL A 55 -0.004 -10.408 0.057 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.459 -9.603 1.271 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.816 -11.636 0.480 1.00 0.00 C ATOM 0 H VAL A 55 -0.194 -7.496 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.032 -10.096 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 55 0.883 -10.773 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.006 -10.255 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.110 -8.793 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.408 -9.187 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.232 -12.236 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.739 -11.314 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.056 -12.234 -0.399 1.00 0.00 H new ATOM 851 N TRP A 56 -3.194 -9.760 -0.673 1.00 0.00 N ATOM 852 CA TRP A 56 -4.530 -9.476 -0.149 1.00 0.00 C ATOM 853 C TRP A 56 -4.985 -10.669 0.683 1.00 0.00 C ATOM 854 O TRP A 56 -5.145 -11.769 0.151 1.00 0.00 O ATOM 855 CB TRP A 56 -5.492 -9.207 -1.302 1.00 0.00 C ATOM 856 CG TRP A 56 -5.062 -8.036 -2.126 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.543 -6.762 -2.054 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.044 -8.027 -3.134 1.00 0.00 C ATOM 859 NE1 TRP A 56 -4.890 -5.963 -2.957 1.00 0.00 N ATOM 860 CE2 TRP A 56 -3.969 -6.715 -3.636 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.190 -9.002 -3.664 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.075 -6.351 -4.639 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.303 -8.638 -4.660 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.253 -7.323 -5.139 1.00 0.00 C ATOM 0 H TRP A 56 -3.164 -10.541 -1.329 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.512 -8.587 0.482 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.556 -10.092 -1.935 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.491 -9.025 -0.906 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.323 -6.431 -1.384 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.063 -4.968 -3.100 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.224 -10.019 -3.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.032 -5.337 -5.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.638 -9.380 -5.076 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.551 -7.071 -5.920 1.00 0.00 H new ATOM 875 N ASN A 57 -5.140 -10.466 1.999 1.00 0.00 N ATOM 876 CA ASN A 57 -5.520 -11.571 2.910 1.00 0.00 C ATOM 877 C ASN A 57 -6.961 -11.460 3.415 1.00 0.00 C ATOM 878 O ASN A 57 -7.838 -12.181 2.934 1.00 0.00 O ATOM 879 CB ASN A 57 -4.528 -11.700 4.099 1.00 0.00 C ATOM 880 CG ASN A 57 -3.879 -10.388 4.530 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.311 -9.757 5.496 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.832 -9.975 3.816 1.00 0.00 N ATOM 0 H ASN A 57 -5.012 -9.564 2.457 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.463 -12.482 2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.057 -12.126 4.952 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.743 -12.406 3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.357 -9.107 4.063 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.506 -10.527 3.023 1.00 0.00 H new ATOM 889 N ASP A 58 -7.204 -10.579 4.397 1.00 0.00 N ATOM 890 CA ASP A 58 -8.549 -10.408 4.974 1.00 0.00 C ATOM 891 C ASP A 58 -9.581 -10.030 3.904 1.00 0.00 C ATOM 892 O ASP A 58 -9.253 -9.956 2.719 1.00 0.00 O ATOM 893 CB ASP A 58 -8.536 -9.347 6.082 1.00 0.00 C ATOM 894 CG ASP A 58 -7.507 -9.633 7.158 1.00 0.00 C ATOM 895 OD1 ASP A 58 -7.288 -10.822 7.472 1.00 0.00 O ATOM 896 OD2 ASP A 58 -6.925 -8.666 7.694 1.00 0.00 O ATOM 0 H ASP A 58 -6.491 -9.976 4.808 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.839 -11.367 5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.333 -8.371 5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.525 -9.291 6.537 1.00 0.00 H new ATOM 901 N ASP A 59 -10.828 -9.799 4.334 1.00 0.00 N ATOM 902 CA ASP A 59 -11.922 -9.436 3.420 1.00 0.00 C ATOM 903 C ASP A 59 -11.593 -8.187 2.601 1.00 0.00 C ATOM 904 O ASP A 59 -11.986 -8.082 1.436 1.00 0.00 O ATOM 905 CB ASP A 59 -13.210 -9.191 4.207 1.00 0.00 C ATOM 906 CG ASP A 59 -14.444 -9.234 3.326 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.370 -8.751 2.176 1.00 0.00 O ATOM 908 OD2 ASP A 59 -15.485 -9.749 3.786 1.00 0.00 O ATOM 0 H ASP A 59 -11.107 -9.857 5.314 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.055 -10.272 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.301 -9.942 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.152 -8.220 4.700 1.00 0.00 H new ATOM 913 N ASP A 60 -10.879 -7.240 3.221 1.00 0.00 N ATOM 914 CA ASP A 60 -10.508 -5.995 2.550 1.00 0.00 C ATOM 915 C ASP A 60 -9.167 -5.433 3.053 1.00 0.00 C ATOM 916 O ASP A 60 -8.902 -4.238 2.898 1.00 0.00 O ATOM 917 CB ASP A 60 -11.622 -4.964 2.739 1.00 0.00 C ATOM 918 CG ASP A 60 -12.822 -5.230 1.849 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.625 -5.701 0.709 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.960 -4.967 2.292 1.00 0.00 O ATOM 0 H ASP A 60 -10.549 -7.314 4.183 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.379 -6.214 1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.940 -4.966 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.231 -3.969 2.527 1.00 0.00 H new ATOM 925 N SER A 61 -8.315 -6.295 3.634 1.00 0.00 N ATOM 926 CA SER A 61 -6.995 -5.876 4.132 1.00 0.00 C ATOM 927 C SER A 61 -5.889 -6.445 3.241 1.00 0.00 C ATOM 928 O SER A 61 -5.967 -7.598 2.794 1.00 0.00 O ATOM 929 CB SER A 61 -6.789 -6.316 5.582 1.00 0.00 C ATOM 930 OG SER A 61 -5.735 -5.588 6.192 1.00 0.00 O ATOM 0 H SER A 61 -8.517 -7.285 3.770 1.00 0.00 H new ATOM 0 HA SER A 61 -6.950 -4.787 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.711 -6.168 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.564 -7.382 5.613 1.00 0.00 H new ATOM 0 HG SER A 61 -5.577 -4.760 5.692 1.00 0.00 H new ATOM 936 N SER A 62 -4.872 -5.620 2.960 1.00 0.00 N ATOM 937 CA SER A 62 -3.763 -6.020 2.089 1.00 0.00 C ATOM 938 C SER A 62 -2.416 -5.674 2.719 1.00 0.00 C ATOM 939 O SER A 62 -2.360 -5.289 3.885 1.00 0.00 O ATOM 940 CB SER A 62 -3.917 -5.316 0.735 1.00 0.00 C ATOM 941 OG SER A 62 -5.272 -5.296 0.332 1.00 0.00 O ATOM 0 H SER A 62 -4.796 -4.670 3.325 1.00 0.00 H new ATOM 0 HA SER A 62 -3.791 -7.101 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.538 -4.296 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.317 -5.828 -0.017 1.00 0.00 H new ATOM 0 HG SER A 62 -5.325 -5.398 -0.641 1.00 0.00 H new ATOM 947 N THR A 63 -1.336 -5.812 1.941 1.00 0.00 N ATOM 948 CA THR A 63 0.005 -5.509 2.418 1.00 0.00 C ATOM 949 C THR A 63 0.949 -5.230 1.247 1.00 0.00 C ATOM 950 O THR A 63 0.914 -5.928 0.228 1.00 0.00 O ATOM 951 CB THR A 63 0.552 -6.653 3.270 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.444 -7.150 4.146 1.00 0.00 O ATOM 953 CG2 THR A 63 1.741 -6.244 4.110 1.00 0.00 C ATOM 0 H THR A 63 -1.373 -6.134 0.974 1.00 0.00 H new ATOM 0 HA THR A 63 -0.057 -4.614 3.037 1.00 0.00 H new ATOM 0 HB THR A 63 0.867 -7.420 2.563 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.073 -7.882 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.085 -7.098 4.693 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.545 -5.901 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.450 -5.438 4.784 1.00 0.00 H new ATOM 961 N LEU A 64 1.789 -4.204 1.408 1.00 0.00 N ATOM 962 CA LEU A 64 2.755 -3.803 0.392 1.00 0.00 C ATOM 963 C LEU A 64 4.165 -4.146 0.858 1.00 0.00 C ATOM 964 O LEU A 64 4.791 -3.357 1.572 1.00 0.00 O ATOM 965 CB LEU A 64 2.641 -2.284 0.148 1.00 0.00 C ATOM 966 CG LEU A 64 3.242 -1.677 -1.159 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.215 -0.538 -0.836 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.917 -2.720 -2.059 1.00 0.00 C ATOM 0 H LEU A 64 1.815 -3.629 2.250 1.00 0.00 H new ATOM 0 HA LEU A 64 2.548 -4.336 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.582 -2.026 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.112 -1.780 0.991 1.00 0.00 H new ATOM 0 HG LEU A 64 2.398 -1.279 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.620 -0.132 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.688 0.248 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.030 -0.919 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.313 -2.231 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.732 -3.198 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.187 -3.474 -2.354 1.00 0.00 H new ATOM 980 N THR A 65 4.653 -5.325 0.461 1.00 0.00 N ATOM 981 CA THR A 65 5.993 -5.773 0.848 1.00 0.00 C ATOM 982 C THR A 65 7.039 -5.202 -0.110 1.00 0.00 C ATOM 983 O THR A 65 6.793 -5.087 -1.312 1.00 0.00 O ATOM 984 CB THR A 65 6.086 -7.325 0.910 1.00 0.00 C ATOM 985 OG1 THR A 65 4.837 -7.935 0.627 1.00 0.00 O ATOM 986 CG2 THR A 65 6.538 -7.847 2.262 1.00 0.00 C ATOM 0 H THR A 65 4.142 -5.984 -0.126 1.00 0.00 H new ATOM 0 HA THR A 65 6.194 -5.398 1.851 1.00 0.00 H new ATOM 0 HB THR A 65 6.830 -7.584 0.156 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.931 -8.909 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.581 -8.936 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.526 -7.450 2.493 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.831 -7.530 3.029 1.00 0.00 H new ATOM 994 N ILE A 66 8.203 -4.850 0.436 1.00 0.00 N ATOM 995 CA ILE A 66 9.304 -4.293 -0.345 1.00 0.00 C ATOM 996 C ILE A 66 10.613 -4.881 0.169 1.00 0.00 C ATOM 997 O ILE A 66 11.202 -4.357 1.110 1.00 0.00 O ATOM 998 CB ILE A 66 9.338 -2.739 -0.275 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.966 -2.172 -0.670 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.448 -2.159 -1.170 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.832 -0.680 -0.467 1.00 0.00 C ATOM 0 H ILE A 66 8.408 -4.943 1.431 1.00 0.00 H new ATOM 0 HA ILE A 66 9.159 -4.557 -1.392 1.00 0.00 H new ATOM 0 HB ILE A 66 9.563 -2.446 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.778 -2.403 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.195 -2.677 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.443 -1.071 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.415 -2.540 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.273 -2.454 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.835 -0.360 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.986 -0.441 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.578 -0.162 -1.070 1.00 0.00 H new ATOM 1013 N TYR A 67 11.032 -5.999 -0.439 1.00 0.00 N ATOM 1014 CA TYR A 67 12.252 -6.709 -0.032 1.00 0.00 C ATOM 1015 C TYR A 67 13.509 -5.804 -0.158 1.00 0.00 C ATOM 1016 O TYR A 67 13.622 -4.833 0.590 1.00 0.00 O ATOM 1017 CB TYR A 67 12.362 -8.044 -0.811 1.00 0.00 C ATOM 1018 CG TYR A 67 11.078 -8.863 -0.830 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.313 -9.034 0.322 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.626 -9.456 -2.005 1.00 0.00 C ATOM 1021 CE1 TYR A 67 9.144 -9.770 0.301 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.458 -10.194 -2.029 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.722 -10.348 -0.876 1.00 0.00 C ATOM 1024 OH TYR A 67 7.558 -11.081 -0.898 1.00 0.00 O ATOM 0 H TYR A 67 10.540 -6.434 -1.220 1.00 0.00 H new ATOM 0 HA TYR A 67 12.191 -6.960 1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.658 -7.829 -1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.157 -8.645 -0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.640 -8.583 1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.198 -9.337 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.563 -9.892 1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.124 -10.649 -2.950 1.00 0.00 H new ATOM 0 HH TYR A 67 7.402 -11.419 -1.804 1.00 0.00 H new ATOM 1034 N ASN A 68 14.454 -6.094 -1.080 1.00 0.00 N ATOM 1035 CA ASN A 68 15.663 -5.267 -1.244 1.00 0.00 C ATOM 1036 C ASN A 68 15.292 -3.799 -1.510 1.00 0.00 C ATOM 1037 O ASN A 68 15.017 -3.413 -2.647 1.00 0.00 O ATOM 1038 CB ASN A 68 16.546 -5.807 -2.381 1.00 0.00 C ATOM 1039 CG ASN A 68 18.029 -5.618 -2.103 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.774 -6.591 -1.975 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.468 -4.364 -2.004 1.00 0.00 N ATOM 0 H ASN A 68 14.401 -6.889 -1.716 1.00 0.00 H new ATOM 0 HA ASN A 68 16.229 -5.316 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.339 -6.867 -2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 68 16.286 -5.301 -3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.454 -4.182 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.818 -3.586 -2.117 1.00 0.00 H new ATOM 1048 N ALA A 69 15.258 -3.004 -0.438 1.00 0.00 N ATOM 1049 CA ALA A 69 14.888 -1.592 -0.524 1.00 0.00 C ATOM 1050 C ALA A 69 16.001 -0.734 -1.119 1.00 0.00 C ATOM 1051 O ALA A 69 17.181 -0.992 -0.889 1.00 0.00 O ATOM 1052 CB ALA A 69 14.515 -1.072 0.856 1.00 0.00 C ATOM 0 H ALA A 69 15.484 -3.319 0.506 1.00 0.00 H new ATOM 0 HA ALA A 69 14.031 -1.520 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.240 -0.020 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.671 -1.642 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.366 -1.181 1.528 1.00 0.00 H new ATOM 1058 N ASN A 70 15.608 0.305 -1.868 1.00 0.00 N ATOM 1059 CA ASN A 70 16.561 1.234 -2.484 1.00 0.00 C ATOM 1060 C ASN A 70 15.995 2.662 -2.484 1.00 0.00 C ATOM 1061 O ASN A 70 14.780 2.873 -2.369 1.00 0.00 O ATOM 1062 CB ASN A 70 16.970 0.803 -3.921 1.00 0.00 C ATOM 1063 CG ASN A 70 16.016 -0.181 -4.593 1.00 0.00 C ATOM 1064 OD1 ASN A 70 16.450 -1.174 -5.179 1.00 0.00 O ATOM 1065 ND2 ASN A 70 14.716 0.087 -4.514 1.00 0.00 N ATOM 0 H ASN A 70 14.631 0.523 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 70 17.467 1.211 -1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 70 17.047 1.694 -4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.963 0.355 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.039 -0.540 -4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.396 0.920 -4.020 1.00 0.00 H new ATOM 1072 N ILE A 71 16.888 3.651 -2.602 1.00 0.00 N ATOM 1073 CA ILE A 71 16.490 5.067 -2.605 1.00 0.00 C ATOM 1074 C ILE A 71 15.378 5.371 -3.624 1.00 0.00 C ATOM 1075 O ILE A 71 14.607 6.317 -3.437 1.00 0.00 O ATOM 1076 CB ILE A 71 17.692 5.996 -2.882 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.396 5.598 -4.185 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.667 5.961 -1.715 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.437 6.600 -4.641 1.00 0.00 C ATOM 0 H ILE A 71 17.892 3.499 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 71 16.102 5.262 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 71 17.321 7.015 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.873 4.627 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.649 5.479 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.509 6.621 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.162 6.294 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.030 4.943 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 71 19.894 6.254 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 71 18.962 7.567 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.205 6.702 -3.874 1.00 0.00 H new ATOM 1091 N ASP A 72 15.293 4.560 -4.689 1.00 0.00 N ATOM 1092 CA ASP A 72 14.268 4.744 -5.717 1.00 0.00 C ATOM 1093 C ASP A 72 12.885 4.398 -5.160 1.00 0.00 C ATOM 1094 O ASP A 72 11.917 5.122 -5.399 1.00 0.00 O ATOM 1095 CB ASP A 72 14.577 3.887 -6.952 1.00 0.00 C ATOM 1096 CG ASP A 72 15.506 4.591 -7.924 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.534 5.136 -7.473 1.00 0.00 O ATOM 1098 OD2 ASP A 72 15.201 4.599 -9.135 1.00 0.00 O ATOM 0 H ASP A 72 15.921 3.774 -4.857 1.00 0.00 H new ATOM 0 HA ASP A 72 14.270 5.792 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 72 15.030 2.948 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.646 3.636 -7.460 1.00 0.00 H new ATOM 1103 N ASP A 73 12.807 3.295 -4.401 1.00 0.00 N ATOM 1104 CA ASP A 73 11.553 2.860 -3.792 1.00 0.00 C ATOM 1105 C ASP A 73 11.087 3.863 -2.738 1.00 0.00 C ATOM 1106 O ASP A 73 9.885 4.078 -2.574 1.00 0.00 O ATOM 1107 CB ASP A 73 11.712 1.467 -3.166 1.00 0.00 C ATOM 1108 CG ASP A 73 11.797 0.347 -4.196 1.00 0.00 C ATOM 1109 OD1 ASP A 73 11.747 0.633 -5.415 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.916 -0.825 -3.780 1.00 0.00 O ATOM 0 H ASP A 73 13.603 2.690 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 73 10.797 2.806 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.612 1.454 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.869 1.277 -2.502 1.00 0.00 H new ATOM 1115 N ALA A 74 12.046 4.489 -2.027 1.00 0.00 N ATOM 1116 CA ALA A 74 11.718 5.488 -0.991 1.00 0.00 C ATOM 1117 C ALA A 74 10.804 6.596 -1.526 1.00 0.00 C ATOM 1118 O ALA A 74 11.247 7.458 -2.291 1.00 0.00 O ATOM 1119 CB ALA A 74 12.990 6.101 -0.419 1.00 0.00 C ATOM 0 H ALA A 74 13.045 4.323 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 74 11.179 4.964 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.729 6.835 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.603 5.318 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.549 6.589 -1.217 1.00 0.00 H new ATOM 1125 N GLY A 75 9.534 6.560 -1.114 1.00 0.00 N ATOM 1126 CA GLY A 75 8.574 7.556 -1.552 1.00 0.00 C ATOM 1127 C GLY A 75 7.232 7.400 -0.866 1.00 0.00 C ATOM 1128 O GLY A 75 7.052 6.491 -0.051 1.00 0.00 O ATOM 0 H GLY A 75 9.156 5.854 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.969 8.552 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.440 7.478 -2.631 1.00 0.00 H new ATOM 1132 N ILE A 76 6.290 8.285 -1.197 1.00 0.00 N ATOM 1133 CA ILE A 76 4.954 8.244 -0.612 1.00 0.00 C ATOM 1134 C ILE A 76 4.075 7.234 -1.359 1.00 0.00 C ATOM 1135 O ILE A 76 3.429 7.583 -2.352 1.00 0.00 O ATOM 1136 CB ILE A 76 4.279 9.647 -0.635 1.00 0.00 C ATOM 1137 CG1 ILE A 76 5.215 10.719 -0.049 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.950 9.633 0.120 1.00 0.00 C ATOM 1139 CD1 ILE A 76 5.601 10.481 1.399 1.00 0.00 C ATOM 0 H ILE A 76 6.431 9.039 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 76 5.059 7.933 0.427 1.00 0.00 H new ATOM 0 HB ILE A 76 4.077 9.897 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.121 10.764 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.730 11.692 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.502 10.626 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.275 8.915 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.124 9.348 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.261 11.280 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.703 10.467 2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.116 9.524 1.486 1.00 0.00 H new ATOM 1151 N TYR A 77 4.046 5.985 -0.872 1.00 0.00 N ATOM 1152 CA TYR A 77 3.232 4.935 -1.497 1.00 0.00 C ATOM 1153 C TYR A 77 1.751 5.241 -1.296 1.00 0.00 C ATOM 1154 O TYR A 77 1.402 6.094 -0.475 1.00 0.00 O ATOM 1155 CB TYR A 77 3.561 3.559 -0.910 1.00 0.00 C ATOM 1156 CG TYR A 77 4.891 2.997 -1.348 1.00 0.00 C ATOM 1157 CD1 TYR A 77 6.052 3.373 -0.699 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.986 2.084 -2.391 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.281 2.861 -1.072 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.210 1.563 -2.773 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.353 1.956 -2.109 1.00 0.00 C ATOM 1162 OH TYR A 77 8.572 1.443 -2.485 1.00 0.00 O ATOM 0 H TYR A 77 4.573 5.680 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 77 3.460 4.915 -2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.550 3.629 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.774 2.859 -1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.998 4.080 0.115 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.091 1.776 -2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.178 3.168 -0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.270 0.854 -3.585 1.00 0.00 H new ATOM 0 HH TYR A 77 9.176 2.177 -2.724 1.00 0.00 H new ATOM 1172 N LYS A 78 0.883 4.555 -2.047 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.561 4.776 -1.948 1.00 0.00 C ATOM 1174 C LYS A 78 -1.327 3.468 -1.777 1.00 0.00 C ATOM 1175 O LYS A 78 -0.879 2.405 -2.206 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.079 5.516 -3.194 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.011 6.678 -2.879 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.365 7.473 -4.129 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.148 8.176 -4.704 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.526 9.337 -5.557 1.00 0.00 N ATOM 0 H LYS A 78 1.155 3.845 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.732 5.387 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.227 5.890 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.603 4.806 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.923 6.298 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.538 7.337 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.789 6.805 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.132 8.209 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.508 8.517 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.565 7.468 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.666 9.789 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.116 9.009 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.060 10.025 -4.989 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.514 3.587 -1.190 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.413 2.460 -0.985 1.00 0.00 C ATOM 1196 C CYS A 79 -4.826 2.931 -1.283 1.00 0.00 C ATOM 1197 O CYS A 79 -5.482 3.529 -0.425 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.320 1.916 0.443 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.026 0.247 0.637 1.00 0.00 S ATOM 0 H CYS A 79 -2.880 4.473 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.131 1.645 -1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.274 1.896 0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.835 2.600 1.117 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.270 2.710 -2.524 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.592 3.162 -2.960 1.00 0.00 C ATOM 1206 C VAL A 80 -7.611 2.031 -2.974 1.00 0.00 C ATOM 1207 O VAL A 80 -7.333 0.928 -3.447 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.549 3.827 -4.362 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -7.855 4.572 -4.639 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.357 4.774 -4.487 1.00 0.00 C ATOM 0 H VAL A 80 -4.734 2.222 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.904 3.906 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.431 3.039 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.809 5.033 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.688 3.870 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.000 5.345 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.353 5.225 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.434 5.557 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.432 4.217 -4.338 1.00 0.00 H new ATOM 1220 N VAL A 81 -8.807 2.333 -2.458 1.00 0.00 N ATOM 1221 CA VAL A 81 -9.906 1.381 -2.409 1.00 0.00 C ATOM 1222 C VAL A 81 -11.076 1.918 -3.240 1.00 0.00 C ATOM 1223 O VAL A 81 -11.171 3.126 -3.470 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.318 1.108 -0.926 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.713 0.494 -0.781 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.265 0.232 -0.258 1.00 0.00 C ATOM 0 H VAL A 81 -9.034 3.246 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.594 0.428 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.370 2.074 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.931 0.332 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.454 1.171 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.748 -0.459 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.553 0.042 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.187 -0.715 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.302 0.741 -0.279 1.00 0.00 H new ATOM 1236 N THR A 82 -11.957 1.014 -3.696 1.00 0.00 N ATOM 1237 CA THR A 82 -13.112 1.417 -4.510 1.00 0.00 C ATOM 1238 C THR A 82 -14.407 0.738 -4.070 1.00 0.00 C ATOM 1239 O THR A 82 -14.388 -0.381 -3.568 1.00 0.00 O ATOM 1240 CB THR A 82 -12.854 1.110 -5.986 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.483 1.274 -6.311 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.660 1.986 -6.920 1.00 0.00 C ATOM 0 H THR A 82 -11.893 0.012 -3.517 1.00 0.00 H new ATOM 0 HA THR A 82 -13.236 2.490 -4.367 1.00 0.00 H new ATOM 0 HB THR A 82 -13.161 0.073 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.345 1.070 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.434 1.721 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.723 1.837 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.404 3.032 -6.749 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.536 1.424 -4.282 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.852 0.889 -3.932 1.00 0.00 C ATOM 1252 C ALA A 83 -17.540 0.319 -5.171 1.00 0.00 C ATOM 1253 O ALA A 83 -16.974 0.353 -6.267 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.710 1.974 -3.297 1.00 0.00 C ATOM 0 H ALA A 83 -15.562 2.356 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.721 0.084 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.686 1.563 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.223 2.341 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.836 2.797 -4.001 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.761 -0.199 -4.996 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.518 -0.772 -6.110 1.00 0.00 C ATOM 1262 C GLU A 84 -19.997 0.324 -7.059 1.00 0.00 C ATOM 1263 O GLU A 84 -19.859 0.201 -8.279 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.716 -1.572 -5.596 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.248 -2.579 -6.603 1.00 0.00 C ATOM 1266 CD GLU A 84 -22.202 -3.579 -5.980 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.404 -3.260 -5.864 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -21.747 -4.681 -5.608 1.00 0.00 O ATOM 0 H GLU A 84 -19.242 -0.232 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.854 -1.443 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.428 -2.098 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.516 -0.882 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.758 -2.048 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.411 -3.113 -7.054 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.556 1.395 -6.489 1.00 0.00 N ATOM 1276 CA ASP A 85 -21.055 2.522 -7.280 1.00 0.00 C ATOM 1277 C ASP A 85 -19.909 3.399 -7.796 1.00 0.00 C ATOM 1278 O ASP A 85 -20.033 4.024 -8.853 1.00 0.00 O ATOM 1279 CB ASP A 85 -22.027 3.370 -6.452 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.415 3.863 -5.153 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.493 3.130 -4.144 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.857 4.980 -5.147 1.00 0.00 O ATOM 0 H ASP A 85 -20.674 1.505 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.581 2.110 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.351 4.226 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.917 2.781 -6.229 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.800 3.448 -7.042 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.649 4.256 -7.431 1.00 0.00 C ATOM 1289 C GLY A 86 -16.961 4.952 -6.261 1.00 0.00 C ATOM 1290 O GLY A 86 -15.871 5.499 -6.435 1.00 0.00 O ATOM 0 H GLY A 86 -18.682 2.939 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.925 3.619 -7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.972 5.009 -8.150 1.00 0.00 H new ATOM 1294 N THR A 87 -17.579 4.937 -5.066 1.00 0.00 N ATOM 1295 CA THR A 87 -16.993 5.575 -3.878 1.00 0.00 C ATOM 1296 C THR A 87 -15.625 4.967 -3.544 1.00 0.00 C ATOM 1297 O THR A 87 -15.542 3.826 -3.087 1.00 0.00 O ATOM 1298 CB THR A 87 -17.940 5.435 -2.675 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.224 5.940 -2.989 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.455 6.157 -1.434 1.00 0.00 C ATOM 0 H THR A 87 -18.481 4.491 -4.900 1.00 0.00 H new ATOM 0 HA THR A 87 -16.852 6.633 -4.099 1.00 0.00 H new ATOM 0 HB THR A 87 -17.973 4.367 -2.461 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.650 5.360 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.173 6.014 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.487 5.755 -1.134 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.356 7.221 -1.648 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.560 5.739 -3.783 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.194 5.286 -3.520 1.00 0.00 C ATOM 1310 C GLN A 88 -12.621 5.944 -2.267 1.00 0.00 C ATOM 1311 O GLN A 88 -12.746 7.157 -2.085 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.282 5.614 -4.701 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.648 4.889 -5.984 1.00 0.00 C ATOM 1314 CD GLN A 88 -12.119 5.588 -7.225 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -12.883 5.931 -8.127 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.806 5.803 -7.282 1.00 0.00 N ATOM 0 H GLN A 88 -14.621 6.685 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.238 4.207 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.311 6.688 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.255 5.363 -4.434 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.253 3.874 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -13.733 4.807 -6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.206 5.503 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.400 6.267 -8.094 1.00 0.00 H new ATOM 1325 N SER A 89 -11.965 5.142 -1.423 1.00 0.00 N ATOM 1326 CA SER A 89 -11.332 5.644 -0.198 1.00 0.00 C ATOM 1327 C SER A 89 -9.855 5.280 -0.231 1.00 0.00 C ATOM 1328 O SER A 89 -9.519 4.108 -0.174 1.00 0.00 O ATOM 1329 CB SER A 89 -12.003 5.034 1.037 1.00 0.00 C ATOM 1330 OG SER A 89 -11.550 5.656 2.227 1.00 0.00 O ATOM 0 H SER A 89 -11.858 4.138 -1.566 1.00 0.00 H new ATOM 0 HA SER A 89 -11.444 6.727 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.085 5.141 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.791 3.966 1.079 1.00 0.00 H new ATOM 0 HG SER A 89 -11.995 5.249 2.999 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.968 6.273 -0.377 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.525 6.000 -0.474 1.00 0.00 C ATOM 1338 C GLU A 90 -6.744 6.377 0.793 1.00 0.00 C ATOM 1339 O GLU A 90 -7.304 6.885 1.764 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.939 6.722 -1.699 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.865 8.241 -1.569 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.940 8.950 -2.907 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -8.060 9.089 -3.443 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -5.880 9.364 -3.420 1.00 0.00 O ATOM 0 H GLU A 90 -9.218 7.261 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.416 4.921 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.936 6.338 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.542 6.475 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.680 8.587 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.935 8.513 -1.070 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.431 6.120 0.745 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.521 6.420 1.849 1.00 0.00 C ATOM 1353 C ALA A 91 -3.086 6.550 1.331 1.00 0.00 C ATOM 1354 O ALA A 91 -2.847 6.393 0.130 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.606 5.338 2.917 1.00 0.00 C ATOM 0 H ALA A 91 -4.973 5.698 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.817 7.369 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.922 5.576 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.625 5.286 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.332 4.376 2.483 1.00 0.00 H new ATOM 1361 N THR A 92 -2.136 6.835 2.228 1.00 0.00 N ATOM 1362 CA THR A 92 -0.729 6.981 1.836 1.00 0.00 C ATOM 1363 C THR A 92 0.214 6.631 2.988 1.00 0.00 C ATOM 1364 O THR A 92 -0.170 6.691 4.158 1.00 0.00 O ATOM 1365 CB THR A 92 -0.448 8.413 1.345 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.271 9.355 2.018 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.665 8.586 -0.144 1.00 0.00 C ATOM 0 H THR A 92 -2.313 6.968 3.224 1.00 0.00 H new ATOM 0 HA THR A 92 -0.544 6.282 1.021 1.00 0.00 H new ATOM 0 HB THR A 92 0.604 8.590 1.566 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.072 10.257 1.690 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.450 9.617 -0.426 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.001 7.915 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.700 8.351 -0.391 1.00 0.00 H new ATOM 1375 N VAL A 93 1.460 6.281 2.639 1.00 0.00 N ATOM 1376 CA VAL A 93 2.480 5.939 3.630 1.00 0.00 C ATOM 1377 C VAL A 93 3.851 6.487 3.206 1.00 0.00 C ATOM 1378 O VAL A 93 4.358 6.154 2.130 1.00 0.00 O ATOM 1379 CB VAL A 93 2.557 4.403 3.871 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.840 3.653 2.574 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.588 4.052 4.951 1.00 0.00 C ATOM 0 H VAL A 93 1.783 6.228 1.673 1.00 0.00 H new ATOM 0 HA VAL A 93 2.192 6.406 4.572 1.00 0.00 H new ATOM 0 HB VAL A 93 1.581 4.082 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.888 2.583 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.043 3.852 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.792 3.987 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.614 2.971 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.573 4.401 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.311 4.534 5.889 1.00 0.00 H new ATOM 1391 N ASN A 94 4.433 7.326 4.067 1.00 0.00 N ATOM 1392 CA ASN A 94 5.739 7.930 3.809 1.00 0.00 C ATOM 1393 C ASN A 94 6.851 6.903 4.094 1.00 0.00 C ATOM 1394 O ASN A 94 7.243 6.700 5.244 1.00 0.00 O ATOM 1395 CB ASN A 94 5.857 9.248 4.638 1.00 0.00 C ATOM 1396 CG ASN A 94 7.188 9.495 5.360 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.206 9.783 6.556 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.301 9.386 4.640 1.00 0.00 N ATOM 0 H ASN A 94 4.015 7.603 4.955 1.00 0.00 H new ATOM 0 HA ASN A 94 5.852 8.207 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.673 10.088 3.968 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.061 9.253 5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.209 9.543 5.078 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.247 9.145 3.650 1.00 0.00 H new ATOM 1405 N VAL A 95 7.342 6.257 3.028 1.00 0.00 N ATOM 1406 CA VAL A 95 8.401 5.248 3.146 1.00 0.00 C ATOM 1407 C VAL A 95 9.745 5.835 2.715 1.00 0.00 C ATOM 1408 O VAL A 95 9.881 6.321 1.590 1.00 0.00 O ATOM 1409 CB VAL A 95 8.102 3.988 2.287 1.00 0.00 C ATOM 1410 CG1 VAL A 95 9.064 2.858 2.636 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.655 3.526 2.463 1.00 0.00 C ATOM 0 H VAL A 95 7.021 6.416 2.073 1.00 0.00 H new ATOM 0 HA VAL A 95 8.441 4.949 4.194 1.00 0.00 H new ATOM 0 HB VAL A 95 8.245 4.259 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.838 1.985 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.088 3.180 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.955 2.600 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.478 2.643 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.476 3.282 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.979 4.323 2.155 1.00 0.00 H new ATOM 1421 N LYS A 96 10.732 5.793 3.619 1.00 0.00 N ATOM 1422 CA LYS A 96 12.068 6.328 3.336 1.00 0.00 C ATOM 1423 C LYS A 96 13.087 5.204 3.168 1.00 0.00 C ATOM 1424 O LYS A 96 12.879 4.086 3.646 1.00 0.00 O ATOM 1425 CB LYS A 96 12.514 7.271 4.468 1.00 0.00 C ATOM 1426 CG LYS A 96 13.230 8.546 4.003 1.00 0.00 C ATOM 1427 CD LYS A 96 12.452 9.348 2.952 1.00 0.00 C ATOM 1428 CE LYS A 96 11.014 9.618 3.373 1.00 0.00 C ATOM 1429 NZ LYS A 96 10.288 10.453 2.376 1.00 0.00 N ATOM 0 H LYS A 96 10.630 5.394 4.552 1.00 0.00 H new ATOM 0 HA LYS A 96 12.015 6.886 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.638 7.556 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.177 6.723 5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.415 9.183 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.203 8.275 3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.959 10.296 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.455 8.803 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.490 8.671 3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.008 10.121 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.368 10.740 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.851 11.300 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.137 9.903 1.506 1.00 0.00 H new ATOM 1443 N ILE A 97 14.203 5.527 2.510 1.00 0.00 N ATOM 1444 CA ILE A 97 15.283 4.569 2.297 1.00 0.00 C ATOM 1445 C ILE A 97 16.633 5.283 2.248 1.00 0.00 C ATOM 1446 O ILE A 97 16.841 6.188 1.438 1.00 0.00 O ATOM 1447 CB ILE A 97 15.094 3.694 1.027 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.662 3.108 1.000 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.156 2.588 1.003 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.393 2.090 -0.091 1.00 0.00 C ATOM 0 H ILE A 97 14.380 6.451 2.115 1.00 0.00 H new ATOM 0 HA ILE A 97 15.257 3.890 3.149 1.00 0.00 H new ATOM 0 HB ILE A 97 15.221 4.305 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.461 2.642 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.954 3.929 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.023 1.975 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.149 3.037 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 97 16.052 1.965 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.362 1.744 -0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.555 2.550 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.069 1.243 0.027 1.00 0.00 H new ATOM 1462 N PHE A 98 17.542 4.864 3.134 1.00 0.00 N ATOM 1463 CA PHE A 98 18.886 5.448 3.222 1.00 0.00 C ATOM 1464 C PHE A 98 19.945 4.358 3.051 1.00 0.00 C ATOM 1465 O PHE A 98 19.876 3.310 3.699 1.00 0.00 O ATOM 1466 CB PHE A 98 19.094 6.205 4.565 1.00 0.00 C ATOM 1467 CG PHE A 98 18.148 5.814 5.679 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.865 6.341 5.730 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.538 4.918 6.663 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.992 5.983 6.739 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.668 4.558 7.675 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.393 5.091 7.712 1.00 0.00 C ATOM 0 H PHE A 98 17.370 4.116 3.806 1.00 0.00 H new ATOM 0 HA PHE A 98 18.990 6.175 2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 98 20.117 6.038 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.990 7.274 4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.545 7.040 4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.532 4.497 6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.997 6.401 6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.984 3.861 8.437 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.712 4.810 8.501 1.00 0.00 H new ATOM 1482 N GLN A 99 20.917 4.612 2.168 1.00 0.00 N ATOM 1483 CA GLN A 99 21.992 3.658 1.899 1.00 0.00 C ATOM 1484 C GLN A 99 23.187 3.910 2.813 1.00 0.00 C ATOM 1485 O GLN A 99 24.266 3.339 2.546 1.00 0.00 O ATOM 1486 CB GLN A 99 22.429 3.748 0.434 1.00 0.00 C ATOM 1487 CG GLN A 99 22.832 5.149 0.001 1.00 0.00 C ATOM 1488 CD GLN A 99 23.613 5.155 -1.302 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.773 5.566 -1.338 1.00 0.00 O ATOM 1490 NE2 GLN A 99 22.982 4.700 -2.383 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.037 4.675 3.787 1.00 0.00 O ATOM 0 H GLN A 99 20.979 5.474 1.627 1.00 0.00 H new ATOM 0 HA GLN A 99 21.611 2.656 2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 99 23.268 3.072 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 99 21.614 3.401 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 99 21.938 5.762 -0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.435 5.608 0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 99 22.020 4.368 -2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.461 4.683 -3.284 1.00 0.00 H new