USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 887 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 67 GLN : amide:sc= 0.341 K(o=0.72,f=-7.3!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -174:sc= 0.376 (180deg=0) USER MOD Set 2.1: A 9 THR OG1 : rot 70:sc= -0.0347 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.995) USER MOD Single : A 1 SER N :NH3+ -169:sc= 1.29 (180deg=1.2) USER MOD Single : A 1 SER OG : rot 178:sc= -0.533! USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= -0.0485 (180deg=-0.301) USER MOD Single : A 8 GLN : amide:sc= -0.0375 X(o=-0.037,f=-0.45) USER MOD Single : A 15 GLN : amide:sc= -0.788 X(o=-0.79,f=-0.83) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.649 F(o=-1.5!,f=-0.65) USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= 1.22 (180deg=0.961) USER MOD Single : A 31 SER OG : rot 75:sc= 1.18 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.527 F(o=-1.4,f=-0.53) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 46 HIS : no HE2:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 48 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.55) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 54 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.51) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.437 F(o=-1.3,f=-0.44) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.357 F(o=-1.7,f=-0.36) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc=-0.00332 (180deg=-0.236) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc=-0.00925 (180deg=-0.171) USER MOD Single : A 86 SER OG : rot 49:sc= 1.06 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 96 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.46) USER MOD Single : A 99 GLN : amide:sc= -0.0616 X(o=-0.062,f=-0.16) USER MOD Single : A 107 LYS NZ :NH3+ 178:sc= 0.218 (180deg=0.177) USER MOD Single : A 108 LYS NZ :NH3+ -169:sc= -0.0141 (180deg=-0.141) USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.124 4.559 22.306 1.00 0.00 N ATOM 2 CA SER A 1 4.226 3.912 20.994 1.00 0.00 C ATOM 3 C SER A 1 5.537 4.292 20.313 1.00 0.00 C ATOM 4 O SER A 1 5.816 5.475 20.092 1.00 0.00 O ATOM 5 CB SER A 1 3.038 4.317 20.113 1.00 0.00 C ATOM 6 OG SER A 1 3.052 3.618 18.882 1.00 0.00 O ATOM 0 H1 SER A 1 3.326 4.151 22.833 1.00 0.00 H new ATOM 0 H2 SER A 1 5.005 4.406 22.838 1.00 0.00 H new ATOM 0 H3 SER A 1 3.969 5.579 22.179 1.00 0.00 H new ATOM 0 HA SER A 1 4.209 2.832 21.137 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.105 4.113 20.639 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.070 5.390 19.925 1.00 0.00 H new ATOM 0 HG SER A 1 2.267 3.871 18.353 1.00 0.00 H new ATOM 14 N GLU A 2 6.343 3.293 19.989 1.00 0.00 N ATOM 15 CA GLU A 2 7.604 3.531 19.325 1.00 0.00 C ATOM 16 C GLU A 2 7.813 2.523 18.207 1.00 0.00 C ATOM 17 O GLU A 2 7.704 1.313 18.416 1.00 0.00 O ATOM 18 CB GLU A 2 8.758 3.474 20.317 1.00 0.00 C ATOM 19 CG GLU A 2 10.086 3.915 19.729 1.00 0.00 C ATOM 20 CD GLU A 2 11.185 3.934 20.752 1.00 0.00 C ATOM 21 OE1 GLU A 2 11.984 2.978 20.789 1.00 0.00 O ATOM 22 OE2 GLU A 2 11.252 4.900 21.539 1.00 0.00 O1- ATOM 0 H GLU A 2 6.142 2.311 20.177 1.00 0.00 H new ATOM 0 HA GLU A 2 7.578 4.531 18.891 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.522 4.105 21.173 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.856 2.454 20.690 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.361 3.243 18.916 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.977 4.910 19.298 1.00 0.00 H new ATOM 29 N PHE A 3 8.096 3.036 17.033 1.00 0.00 N ATOM 30 CA PHE A 3 8.311 2.234 15.838 1.00 0.00 C ATOM 31 C PHE A 3 8.909 3.134 14.779 1.00 0.00 C ATOM 32 O PHE A 3 8.462 3.179 13.646 1.00 0.00 O ATOM 33 CB PHE A 3 6.978 1.596 15.353 1.00 0.00 C ATOM 34 CG PHE A 3 5.850 2.580 15.094 1.00 0.00 C ATOM 35 CD1 PHE A 3 5.458 2.880 13.798 1.00 0.00 C ATOM 36 CD2 PHE A 3 5.186 3.194 16.145 1.00 0.00 C ATOM 37 CE1 PHE A 3 4.431 3.771 13.560 1.00 0.00 C ATOM 38 CE2 PHE A 3 4.161 4.086 15.911 1.00 0.00 C ATOM 39 CZ PHE A 3 3.783 4.375 14.618 1.00 0.00 C ATOM 0 H PHE A 3 8.186 4.039 16.872 1.00 0.00 H new ATOM 0 HA PHE A 3 8.993 1.411 16.051 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.172 1.040 14.436 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.646 0.874 16.099 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.962 2.411 12.966 1.00 0.00 H new ATOM 0 HD2 PHE A 3 5.476 2.970 17.161 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.135 3.995 12.546 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.655 4.558 16.740 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.980 5.074 14.433 1.00 0.00 H new ATOM 49 N GLU A 4 9.964 3.815 15.171 1.00 0.00 N ATOM 50 CA GLU A 4 10.576 4.862 14.369 1.00 0.00 C ATOM 51 C GLU A 4 11.055 4.370 13.008 1.00 0.00 C ATOM 52 O GLU A 4 10.919 5.080 12.012 1.00 0.00 O ATOM 53 CB GLU A 4 11.727 5.501 15.144 1.00 0.00 C ATOM 54 CG GLU A 4 11.379 5.827 16.594 1.00 0.00 C ATOM 55 CD GLU A 4 10.092 6.621 16.730 1.00 0.00 C ATOM 56 OE1 GLU A 4 10.145 7.866 16.647 1.00 0.00 O ATOM 57 OE2 GLU A 4 9.018 6.002 16.920 1.00 0.00 O1- ATOM 0 H GLU A 4 10.429 3.658 16.065 1.00 0.00 H new ATOM 0 HA GLU A 4 9.805 5.607 14.171 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.584 4.827 15.127 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.031 6.417 14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.288 4.899 17.158 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.197 6.392 17.040 1.00 0.00 H new ATOM 64 N LYS A 5 11.602 3.168 12.954 1.00 0.00 N ATOM 65 CA LYS A 5 12.091 2.636 11.690 1.00 0.00 C ATOM 66 C LYS A 5 10.928 2.200 10.797 1.00 0.00 C ATOM 67 O LYS A 5 10.914 2.476 9.595 1.00 0.00 O ATOM 68 CB LYS A 5 13.060 1.472 11.919 1.00 0.00 C ATOM 69 CG LYS A 5 13.736 0.995 10.645 1.00 0.00 C ATOM 70 CD LYS A 5 14.731 -0.120 10.911 1.00 0.00 C ATOM 71 CE LYS A 5 15.419 -0.560 9.626 1.00 0.00 C ATOM 72 NZ LYS A 5 16.182 0.549 8.994 1.00 0.00 N ATOM 0 H LYS A 5 11.719 2.549 13.756 1.00 0.00 H new ATOM 0 HA LYS A 5 12.634 3.432 11.181 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.823 1.779 12.634 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.518 0.640 12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.979 0.645 9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.248 1.832 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.478 0.219 11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.218 -0.970 11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.095 -1.388 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.673 -0.932 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.843 0.160 8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.522 1.201 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.715 1.063 9.724 1.00 0.00 H new ATOM 86 N LEU A 6 9.945 1.546 11.398 1.00 0.00 N ATOM 87 CA LEU A 6 8.767 1.083 10.671 1.00 0.00 C ATOM 88 C LEU A 6 7.931 2.283 10.232 1.00 0.00 C ATOM 89 O LEU A 6 7.271 2.255 9.194 1.00 0.00 O ATOM 90 CB LEU A 6 7.947 0.119 11.560 1.00 0.00 C ATOM 91 CG LEU A 6 6.768 -0.618 10.892 1.00 0.00 C ATOM 92 CD1 LEU A 6 6.492 -1.925 11.616 1.00 0.00 C ATOM 93 CD2 LEU A 6 5.511 0.246 10.898 1.00 0.00 C ATOM 0 H LEU A 6 9.938 1.322 12.393 1.00 0.00 H new ATOM 0 HA LEU A 6 9.075 0.538 9.779 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.628 -0.629 11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.557 0.687 12.405 1.00 0.00 H new ATOM 0 HG LEU A 6 7.041 -0.826 9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.658 -2.437 11.137 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.379 -2.558 11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.241 -1.719 12.656 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.694 -0.296 10.421 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.238 0.483 11.926 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.701 1.169 10.351 1.00 0.00 H new ATOM 105 N ARG A 7 8.007 3.347 11.018 1.00 0.00 N ATOM 106 CA ARG A 7 7.283 4.578 10.752 1.00 0.00 C ATOM 107 C ARG A 7 7.723 5.175 9.428 1.00 0.00 C ATOM 108 O ARG A 7 6.904 5.679 8.665 1.00 0.00 O ATOM 109 CB ARG A 7 7.552 5.584 11.880 1.00 0.00 C ATOM 110 CG ARG A 7 6.819 6.911 11.745 1.00 0.00 C ATOM 111 CD ARG A 7 5.325 6.738 11.919 1.00 0.00 C ATOM 112 NE ARG A 7 4.628 8.020 11.995 1.00 0.00 N ATOM 113 CZ ARG A 7 3.463 8.196 12.619 1.00 0.00 C ATOM 114 NH1 ARG A 7 2.874 7.176 13.216 1.00 0.00 N ATOM 115 NH2 ARG A 7 2.893 9.393 12.647 1.00 0.00 N ATOM 0 H ARG A 7 8.577 3.379 11.863 1.00 0.00 H new ATOM 0 HA ARG A 7 6.217 4.355 10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.273 5.126 12.829 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.623 5.780 11.924 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.194 7.613 12.490 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.025 7.344 10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.928 6.159 11.085 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.130 6.166 12.826 1.00 0.00 H new ATOM 0 HE ARG A 7 5.058 8.828 11.544 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.310 6.254 13.200 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.983 7.310 13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.346 10.184 12.190 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.002 9.522 13.126 1.00 0.00 H new ATOM 129 N GLN A 8 9.015 5.093 9.150 1.00 0.00 N ATOM 130 CA GLN A 8 9.558 5.657 7.929 1.00 0.00 C ATOM 131 C GLN A 8 9.062 4.888 6.713 1.00 0.00 C ATOM 132 O GLN A 8 8.632 5.487 5.734 1.00 0.00 O ATOM 133 CB GLN A 8 11.088 5.661 7.968 1.00 0.00 C ATOM 134 CG GLN A 8 11.668 6.282 9.230 1.00 0.00 C ATOM 135 CD GLN A 8 11.173 7.696 9.486 1.00 0.00 C ATOM 136 OE1 GLN A 8 10.903 8.459 8.555 1.00 0.00 O ATOM 137 NE2 GLN A 8 11.033 8.046 10.751 1.00 0.00 N ATOM 0 H GLN A 8 9.703 4.642 9.753 1.00 0.00 H new ATOM 0 HA GLN A 8 9.212 6.688 7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.447 4.636 7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.463 6.205 7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.414 5.655 10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.755 6.293 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.267 7.385 11.492 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.690 8.977 10.988 1.00 0.00 H new ATOM 146 N THR A 9 9.097 3.561 6.793 1.00 0.00 N ATOM 147 CA THR A 9 8.641 2.719 5.694 1.00 0.00 C ATOM 148 C THR A 9 7.118 2.780 5.532 1.00 0.00 C ATOM 149 O THR A 9 6.609 2.843 4.412 1.00 0.00 O ATOM 150 CB THR A 9 9.098 1.261 5.872 1.00 0.00 C ATOM 151 OG1 THR A 9 10.525 1.223 5.958 1.00 0.00 O ATOM 152 CG2 THR A 9 8.647 0.400 4.699 1.00 0.00 C ATOM 0 H THR A 9 9.436 3.047 7.606 1.00 0.00 H new ATOM 0 HA THR A 9 9.097 3.112 4.785 1.00 0.00 H new ATOM 0 HB THR A 9 8.651 0.867 6.785 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.812 1.620 6.807 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.983 -0.626 4.850 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.559 0.419 4.631 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.075 0.790 3.776 1.00 0.00 H new ATOM 160 N GLY A 10 6.399 2.768 6.652 1.00 0.00 N ATOM 161 CA GLY A 10 4.950 2.859 6.600 1.00 0.00 C ATOM 162 C GLY A 10 4.509 4.143 5.938 1.00 0.00 C ATOM 163 O GLY A 10 3.629 4.145 5.076 1.00 0.00 O ATOM 0 H GLY A 10 6.792 2.697 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.549 2.007 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.543 2.808 7.610 1.00 0.00 H new ATOM 167 N ASP A 11 5.143 5.235 6.329 1.00 0.00 N ATOM 168 CA ASP A 11 4.874 6.538 5.744 1.00 0.00 C ATOM 169 C ASP A 11 5.338 6.565 4.290 1.00 0.00 C ATOM 170 O ASP A 11 4.698 7.167 3.433 1.00 0.00 O ATOM 171 CB ASP A 11 5.578 7.633 6.548 1.00 0.00 C ATOM 172 CG ASP A 11 5.428 9.001 5.928 1.00 0.00 C ATOM 173 OD1 ASP A 11 6.299 9.389 5.126 1.00 0.00 O ATOM 174 OD2 ASP A 11 4.437 9.699 6.241 1.00 0.00 O1- ATOM 0 H ASP A 11 5.856 5.244 7.058 1.00 0.00 H new ATOM 0 HA ASP A 11 3.800 6.723 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.174 7.651 7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.638 7.391 6.632 1.00 0.00 H new ATOM 179 N GLU A 12 6.446 5.875 4.027 1.00 0.00 N ATOM 180 CA GLU A 12 7.033 5.792 2.690 1.00 0.00 C ATOM 181 C GLU A 12 6.043 5.185 1.705 1.00 0.00 C ATOM 182 O GLU A 12 5.946 5.629 0.555 1.00 0.00 O ATOM 183 CB GLU A 12 8.310 4.946 2.748 1.00 0.00 C ATOM 184 CG GLU A 12 8.990 4.711 1.415 1.00 0.00 C ATOM 185 CD GLU A 12 10.255 3.897 1.565 1.00 0.00 C ATOM 186 OE1 GLU A 12 10.181 2.648 1.545 1.00 0.00 O ATOM 187 OE2 GLU A 12 11.336 4.498 1.719 1.00 0.00 O1- ATOM 0 H GLU A 12 6.964 5.356 4.736 1.00 0.00 H new ATOM 0 HA GLU A 12 7.279 6.797 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.019 5.432 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.066 3.979 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.304 4.196 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.227 5.670 0.954 1.00 0.00 H new ATOM 194 N LEU A 13 5.303 4.180 2.160 1.00 0.00 N ATOM 195 CA LEU A 13 4.289 3.553 1.330 1.00 0.00 C ATOM 196 C LEU A 13 3.220 4.568 0.970 1.00 0.00 C ATOM 197 O LEU A 13 2.829 4.689 -0.190 1.00 0.00 O ATOM 198 CB LEU A 13 3.648 2.361 2.050 1.00 0.00 C ATOM 199 CG LEU A 13 4.600 1.256 2.512 1.00 0.00 C ATOM 200 CD1 LEU A 13 3.817 0.081 3.064 1.00 0.00 C ATOM 201 CD2 LEU A 13 5.499 0.809 1.374 1.00 0.00 C ATOM 0 H LEU A 13 5.388 3.785 3.097 1.00 0.00 H new ATOM 0 HA LEU A 13 4.769 3.188 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.111 2.736 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.907 1.918 1.385 1.00 0.00 H new ATOM 0 HG LEU A 13 5.230 1.657 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.508 -0.697 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.217 0.410 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.162 -0.316 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.167 0.023 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.888 0.427 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.088 1.656 1.022 1.00 0.00 H new ATOM 213 N VAL A 14 2.772 5.316 1.975 1.00 0.00 N ATOM 214 CA VAL A 14 1.750 6.335 1.784 1.00 0.00 C ATOM 215 C VAL A 14 2.224 7.393 0.789 1.00 0.00 C ATOM 216 O VAL A 14 1.457 7.843 -0.062 1.00 0.00 O ATOM 217 CB VAL A 14 1.367 7.017 3.123 1.00 0.00 C ATOM 218 CG1 VAL A 14 0.236 8.015 2.919 1.00 0.00 C ATOM 219 CG2 VAL A 14 0.978 5.976 4.163 1.00 0.00 C ATOM 0 H VAL A 14 3.105 5.233 2.935 1.00 0.00 H new ATOM 0 HA VAL A 14 0.866 5.836 1.387 1.00 0.00 H new ATOM 0 HB VAL A 14 2.239 7.560 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.015 8.480 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.551 8.783 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.639 7.498 2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.713 6.475 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.124 5.403 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.818 5.304 4.337 1.00 0.00 H new ATOM 229 N GLN A 15 3.498 7.771 0.889 1.00 0.00 N ATOM 230 CA GLN A 15 4.076 8.759 -0.019 1.00 0.00 C ATOM 231 C GLN A 15 4.035 8.247 -1.450 1.00 0.00 C ATOM 232 O GLN A 15 3.674 8.976 -2.373 1.00 0.00 O ATOM 233 CB GLN A 15 5.523 9.084 0.370 1.00 0.00 C ATOM 234 CG GLN A 15 5.693 9.573 1.797 1.00 0.00 C ATOM 235 CD GLN A 15 4.829 10.774 2.115 1.00 0.00 C ATOM 236 OE1 GLN A 15 4.534 11.594 1.246 1.00 0.00 O ATOM 237 NE2 GLN A 15 4.423 10.887 3.360 1.00 0.00 N ATOM 0 H GLN A 15 4.147 7.409 1.588 1.00 0.00 H new ATOM 0 HA GLN A 15 3.483 9.670 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.134 8.192 0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.907 9.844 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.448 8.763 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.739 9.829 1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.690 10.184 4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.840 11.677 3.637 1.00 0.00 H new ATOM 246 N ALA A 16 4.387 6.977 -1.620 1.00 0.00 N ATOM 247 CA ALA A 16 4.387 6.347 -2.932 1.00 0.00 C ATOM 248 C ALA A 16 2.988 6.344 -3.533 1.00 0.00 C ATOM 249 O ALA A 16 2.816 6.580 -4.725 1.00 0.00 O ATOM 250 CB ALA A 16 4.925 4.930 -2.837 1.00 0.00 C ATOM 0 H ALA A 16 4.677 6.362 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 16 5.037 6.926 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.919 4.471 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.945 4.953 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.297 4.347 -2.163 1.00 0.00 H new ATOM 256 N PHE A 17 1.989 6.090 -2.696 1.00 0.00 N ATOM 257 CA PHE A 17 0.604 6.080 -3.144 1.00 0.00 C ATOM 258 C PHE A 17 0.151 7.469 -3.575 1.00 0.00 C ATOM 259 O PHE A 17 -0.599 7.610 -4.546 1.00 0.00 O ATOM 260 CB PHE A 17 -0.326 5.487 -2.082 1.00 0.00 C ATOM 261 CG PHE A 17 -0.090 4.018 -1.853 1.00 0.00 C ATOM 262 CD1 PHE A 17 0.090 3.517 -0.576 1.00 0.00 C ATOM 263 CD2 PHE A 17 -0.033 3.141 -2.926 1.00 0.00 C ATOM 264 CE1 PHE A 17 0.322 2.169 -0.373 1.00 0.00 C ATOM 265 CE2 PHE A 17 0.194 1.796 -2.728 1.00 0.00 C ATOM 266 CZ PHE A 17 0.373 1.309 -1.452 1.00 0.00 C ATOM 0 H PHE A 17 2.113 5.888 -1.704 1.00 0.00 H new ATOM 0 HA PHE A 17 0.547 5.433 -4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.186 6.023 -1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.361 5.641 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.049 4.186 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.168 3.517 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.463 1.789 0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.232 1.124 -3.573 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.553 0.256 -1.296 1.00 0.00 H new ATOM 276 N GLN A 18 0.603 8.498 -2.856 1.00 0.00 N ATOM 277 CA GLN A 18 0.291 9.871 -3.228 1.00 0.00 C ATOM 278 C GLN A 18 0.852 10.154 -4.613 1.00 0.00 C ATOM 279 O GLN A 18 0.181 10.744 -5.464 1.00 0.00 O ATOM 280 CB GLN A 18 0.901 10.855 -2.231 1.00 0.00 C ATOM 281 CG GLN A 18 0.440 10.674 -0.799 1.00 0.00 C ATOM 282 CD GLN A 18 1.080 11.677 0.138 1.00 0.00 C ATOM 283 OE1 GLN A 18 1.303 11.273 1.370 1.00 0.00 O flip ATOM 284 NE2 GLN A 18 1.381 12.806 -0.252 1.00 0.00 N flip ATOM 0 H GLN A 18 1.181 8.404 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.792 9.995 -3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.986 10.758 -2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.662 11.869 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.644 10.776 -0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.680 9.664 -0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.191 13.080 -1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.820 13.467 0.389 1.00 0.00 H new ATOM 293 N ARG A 19 2.083 9.694 -4.833 1.00 0.00 N ATOM 294 CA ARG A 19 2.764 9.854 -6.114 1.00 0.00 C ATOM 295 C ARG A 19 2.040 9.072 -7.196 1.00 0.00 C ATOM 296 O ARG A 19 1.902 9.536 -8.328 1.00 0.00 O ATOM 297 CB ARG A 19 4.217 9.368 -6.011 1.00 0.00 C ATOM 298 CG ARG A 19 5.041 10.094 -4.960 1.00 0.00 C ATOM 299 CD ARG A 19 5.140 11.571 -5.266 1.00 0.00 C ATOM 300 NE ARG A 19 5.799 12.316 -4.203 1.00 0.00 N ATOM 301 CZ ARG A 19 5.485 13.572 -3.874 1.00 0.00 C ATOM 302 NH1 ARG A 19 4.497 14.204 -4.507 1.00 0.00 N ATOM 303 NH2 ARG A 19 6.150 14.192 -2.908 1.00 0.00 N ATOM 0 H ARG A 19 2.634 9.202 -4.130 1.00 0.00 H new ATOM 0 HA ARG A 19 2.761 10.912 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.217 8.302 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.699 9.488 -6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.589 9.953 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.041 9.662 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.689 11.710 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.140 11.975 -5.422 1.00 0.00 H new ATOM 0 HE ARG A 19 6.542 11.853 -3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.978 13.729 -5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.260 15.163 -4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.902 13.710 -2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.909 15.151 -2.658 1.00 0.00 H new ATOM 317 N LEU A 20 1.566 7.892 -6.828 1.00 0.00 N ATOM 318 CA LEU A 20 0.855 7.015 -7.741 1.00 0.00 C ATOM 319 C LEU A 20 -0.402 7.703 -8.265 1.00 0.00 C ATOM 320 O LEU A 20 -0.699 7.655 -9.462 1.00 0.00 O ATOM 321 CB LEU A 20 0.482 5.712 -7.022 1.00 0.00 C ATOM 322 CG LEU A 20 -0.089 4.595 -7.895 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.974 4.057 -8.838 1.00 0.00 C ATOM 324 CD2 LEU A 20 -0.651 3.479 -7.027 1.00 0.00 C ATOM 0 H LEU A 20 1.665 7.516 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 20 1.503 6.784 -8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.371 5.332 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.247 5.946 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.900 5.006 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.548 3.263 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.330 4.861 -9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.808 3.661 -8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.054 2.691 -7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.142 3.070 -6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.445 3.875 -6.394 1.00 0.00 H new ATOM 336 N ARG A 21 -1.131 8.361 -7.367 1.00 0.00 N ATOM 337 CA ARG A 21 -2.336 9.075 -7.753 1.00 0.00 C ATOM 338 C ARG A 21 -2.003 10.242 -8.671 1.00 0.00 C ATOM 339 O ARG A 21 -2.729 10.514 -9.622 1.00 0.00 O ATOM 340 CB ARG A 21 -3.120 9.563 -6.536 1.00 0.00 C ATOM 341 CG ARG A 21 -4.444 10.214 -6.915 1.00 0.00 C ATOM 342 CD ARG A 21 -5.347 10.457 -5.717 1.00 0.00 C ATOM 343 NE ARG A 21 -6.590 11.112 -6.130 1.00 0.00 N ATOM 344 CZ ARG A 21 -7.753 10.483 -6.346 1.00 0.00 C ATOM 345 NH1 ARG A 21 -7.895 9.197 -6.047 1.00 0.00 N ATOM 346 NH2 ARG A 21 -8.781 11.154 -6.833 1.00 0.00 N ATOM 0 H ARG A 21 -0.907 8.412 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.968 8.372 -8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.311 8.722 -5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.513 10.278 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.247 11.163 -7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.963 9.579 -7.632 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.574 9.509 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.829 11.077 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.569 12.123 -6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.114 8.677 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.786 8.729 -6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.688 12.148 -7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.668 10.678 -6.999 1.00 0.00 H new ATOM 360 N GLU A 22 -0.897 10.920 -8.381 1.00 0.00 N ATOM 361 CA GLU A 22 -0.453 12.051 -9.203 1.00 0.00 C ATOM 362 C GLU A 22 -0.187 11.595 -10.632 1.00 0.00 C ATOM 363 O GLU A 22 -0.587 12.248 -11.588 1.00 0.00 O ATOM 364 CB GLU A 22 0.821 12.681 -8.632 1.00 0.00 C ATOM 365 CG GLU A 22 0.678 13.241 -7.230 1.00 0.00 C ATOM 366 CD GLU A 22 1.945 13.914 -6.752 1.00 0.00 C ATOM 367 OE1 GLU A 22 2.960 13.216 -6.560 1.00 0.00 O ATOM 368 OE2 GLU A 22 1.940 15.145 -6.572 1.00 0.00 O1- ATOM 0 H GLU A 22 -0.291 10.711 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.249 12.796 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.612 11.931 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.144 13.482 -9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.143 13.958 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.415 12.436 -6.544 1.00 0.00 H new ATOM 375 N ILE A 23 0.482 10.459 -10.762 1.00 0.00 N ATOM 376 CA ILE A 23 0.794 9.897 -12.068 1.00 0.00 C ATOM 377 C ILE A 23 -0.490 9.494 -12.798 1.00 0.00 C ATOM 378 O ILE A 23 -0.624 9.697 -14.012 1.00 0.00 O ATOM 379 CB ILE A 23 1.741 8.684 -11.935 1.00 0.00 C ATOM 380 CG1 ILE A 23 3.037 9.116 -11.244 1.00 0.00 C ATOM 381 CG2 ILE A 23 2.043 8.084 -13.301 1.00 0.00 C ATOM 382 CD1 ILE A 23 3.987 7.980 -10.958 1.00 0.00 C ATOM 0 H ILE A 23 0.821 9.906 -9.975 1.00 0.00 H new ATOM 0 HA ILE A 23 1.303 10.663 -12.654 1.00 0.00 H new ATOM 0 HB ILE A 23 1.251 7.920 -11.331 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.543 9.851 -11.870 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.789 9.613 -10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.712 7.231 -13.184 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.114 7.756 -13.768 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.520 8.835 -13.931 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.880 8.367 -10.468 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.501 7.255 -10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.267 7.496 -11.893 1.00 0.00 H new ATOM 394 N PHE A 24 -1.437 8.942 -12.049 1.00 0.00 N ATOM 395 CA PHE A 24 -2.730 8.569 -12.601 1.00 0.00 C ATOM 396 C PHE A 24 -3.491 9.807 -13.070 1.00 0.00 C ATOM 397 O PHE A 24 -4.021 9.837 -14.181 1.00 0.00 O ATOM 398 CB PHE A 24 -3.559 7.792 -11.565 1.00 0.00 C ATOM 399 CG PHE A 24 -5.019 7.665 -11.922 1.00 0.00 C ATOM 400 CD1 PHE A 24 -5.416 6.986 -13.063 1.00 0.00 C ATOM 401 CD2 PHE A 24 -5.993 8.234 -11.115 1.00 0.00 C ATOM 402 CE1 PHE A 24 -6.754 6.879 -13.393 1.00 0.00 C ATOM 403 CE2 PHE A 24 -7.332 8.128 -11.439 1.00 0.00 C ATOM 404 CZ PHE A 24 -7.713 7.450 -12.580 1.00 0.00 C ATOM 0 H PHE A 24 -1.331 8.743 -11.054 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.559 7.921 -13.461 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.135 6.794 -11.449 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.473 8.289 -10.599 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.671 6.535 -13.702 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.701 8.767 -10.222 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.049 6.349 -14.286 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.080 8.575 -10.801 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.759 7.366 -12.836 1.00 0.00 H new ATOM 414 N ASP A 25 -3.519 10.833 -12.227 1.00 0.00 N ATOM 415 CA ASP A 25 -4.219 12.079 -12.546 1.00 0.00 C ATOM 416 C ASP A 25 -3.545 12.798 -13.714 1.00 0.00 C ATOM 417 O ASP A 25 -4.175 13.582 -14.430 1.00 0.00 O ATOM 418 CB ASP A 25 -4.279 12.993 -11.315 1.00 0.00 C ATOM 419 CG ASP A 25 -5.070 14.260 -11.569 1.00 0.00 C ATOM 420 OD1 ASP A 25 -6.319 14.186 -11.637 1.00 0.00 O ATOM 421 OD2 ASP A 25 -4.454 15.336 -11.706 1.00 0.00 O1- ATOM 0 H ASP A 25 -3.065 10.829 -11.314 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.238 11.830 -12.842 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.728 12.449 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.265 13.256 -11.013 1.00 0.00 H new ATOM 426 N LYS A 26 -2.269 12.508 -13.912 1.00 0.00 N ATOM 427 CA LYS A 26 -1.503 13.075 -15.001 1.00 0.00 C ATOM 428 C LYS A 26 -1.842 12.359 -16.315 1.00 0.00 C ATOM 429 O LYS A 26 -1.592 12.877 -17.404 1.00 0.00 O ATOM 430 CB LYS A 26 -0.007 12.916 -14.697 1.00 0.00 C ATOM 431 CG LYS A 26 0.902 13.361 -15.818 1.00 0.00 C ATOM 432 CD LYS A 26 2.318 12.843 -15.630 1.00 0.00 C ATOM 433 CE LYS A 26 3.185 13.185 -16.827 1.00 0.00 C ATOM 434 NZ LYS A 26 4.449 12.407 -16.848 1.00 0.00 N ATOM 0 H LYS A 26 -1.738 11.871 -13.319 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.750 14.132 -15.104 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.233 13.488 -13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.198 11.869 -14.472 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.507 13.005 -16.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.916 14.450 -15.865 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.750 13.275 -14.728 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.298 11.763 -15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.627 12.993 -17.744 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.417 14.250 -16.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.220 13.008 -17.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.675 12.086 -15.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.338 11.582 -17.471 1.00 0.00 H new ATOM 448 N GLY A 27 -2.433 11.181 -16.201 1.00 0.00 N ATOM 449 CA GLY A 27 -2.772 10.407 -17.375 1.00 0.00 C ATOM 450 C GLY A 27 -1.567 9.699 -17.946 1.00 0.00 C ATOM 451 O GLY A 27 -1.507 9.414 -19.143 1.00 0.00 O ATOM 0 H GLY A 27 -2.685 10.746 -15.313 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.537 9.674 -17.119 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.201 11.064 -18.132 1.00 0.00 H new ATOM 455 N ASP A 28 -0.598 9.424 -17.092 1.00 0.00 N ATOM 456 CA ASP A 28 0.617 8.755 -17.513 1.00 0.00 C ATOM 457 C ASP A 28 0.521 7.269 -17.195 1.00 0.00 C ATOM 458 O ASP A 28 0.842 6.835 -16.092 1.00 0.00 O ATOM 459 CB ASP A 28 1.828 9.374 -16.824 1.00 0.00 C ATOM 460 CG ASP A 28 3.126 9.062 -17.527 1.00 0.00 C ATOM 461 OD1 ASP A 28 3.516 7.890 -17.572 1.00 0.00 O ATOM 462 OD2 ASP A 28 3.770 10.007 -18.035 1.00 0.00 O1- ATOM 0 H ASP A 28 -0.630 9.655 -16.099 1.00 0.00 H new ATOM 0 HA ASP A 28 0.738 8.878 -18.589 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.698 10.455 -16.774 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.880 9.012 -15.797 1.00 0.00 H new ATOM 467 N ASP A 29 0.052 6.506 -18.162 1.00 0.00 N ATOM 468 CA ASP A 29 -0.169 5.069 -17.991 1.00 0.00 C ATOM 469 C ASP A 29 1.146 4.303 -17.887 1.00 0.00 C ATOM 470 O ASP A 29 1.282 3.390 -17.067 1.00 0.00 O ATOM 471 CB ASP A 29 -0.995 4.531 -19.163 1.00 0.00 C ATOM 472 CG ASP A 29 -1.357 3.067 -19.017 1.00 0.00 C ATOM 473 OD1 ASP A 29 -0.628 2.210 -19.566 1.00 0.00 O ATOM 474 OD2 ASP A 29 -2.385 2.767 -18.374 1.00 0.00 O1- ATOM 0 H ASP A 29 -0.189 6.856 -19.089 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.712 4.922 -17.058 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.909 5.117 -19.254 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.435 4.669 -20.088 1.00 0.00 H new ATOM 479 N ASP A 30 2.114 4.695 -18.701 1.00 0.00 N ATOM 480 CA ASP A 30 3.407 4.020 -18.747 1.00 0.00 C ATOM 481 C ASP A 30 4.155 4.107 -17.421 1.00 0.00 C ATOM 482 O ASP A 30 4.661 3.099 -16.928 1.00 0.00 O ATOM 483 CB ASP A 30 4.266 4.531 -19.921 1.00 0.00 C ATOM 484 CG ASP A 30 4.299 6.043 -20.041 1.00 0.00 C ATOM 485 OD1 ASP A 30 3.256 6.638 -20.419 1.00 0.00 O ATOM 486 OD2 ASP A 30 5.366 6.645 -19.799 1.00 0.00 O1- ATOM 0 H ASP A 30 2.030 5.482 -19.344 1.00 0.00 H new ATOM 0 HA ASP A 30 3.206 2.963 -18.920 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.285 4.163 -19.801 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.882 4.110 -20.850 1.00 0.00 H new ATOM 491 N SER A 31 4.214 5.289 -16.830 1.00 0.00 N ATOM 492 CA SER A 31 4.881 5.436 -15.545 1.00 0.00 C ATOM 493 C SER A 31 4.064 4.774 -14.444 1.00 0.00 C ATOM 494 O SER A 31 4.616 4.208 -13.504 1.00 0.00 O ATOM 495 CB SER A 31 5.108 6.906 -15.210 1.00 0.00 C ATOM 496 OG SER A 31 5.813 7.558 -16.247 1.00 0.00 O ATOM 0 H SER A 31 3.816 6.148 -17.210 1.00 0.00 H new ATOM 0 HA SER A 31 5.852 4.945 -15.614 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.149 7.399 -15.051 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.667 6.988 -14.278 1.00 0.00 H new ATOM 0 HG SER A 31 5.211 7.711 -17.005 1.00 0.00 H new ATOM 502 N LEU A 32 2.744 4.815 -14.595 1.00 0.00 N ATOM 503 CA LEU A 32 1.834 4.270 -13.597 1.00 0.00 C ATOM 504 C LEU A 32 2.068 2.773 -13.411 1.00 0.00 C ATOM 505 O LEU A 32 2.175 2.290 -12.285 1.00 0.00 O ATOM 506 CB LEU A 32 0.384 4.522 -14.029 1.00 0.00 C ATOM 507 CG LEU A 32 -0.699 4.195 -13.002 1.00 0.00 C ATOM 508 CD1 LEU A 32 -0.608 5.134 -11.815 1.00 0.00 C ATOM 509 CD2 LEU A 32 -2.077 4.275 -13.639 1.00 0.00 C ATOM 0 H LEU A 32 2.279 5.224 -15.406 1.00 0.00 H new ATOM 0 HA LEU A 32 2.022 4.768 -12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.287 5.572 -14.304 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.189 3.938 -14.928 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.541 3.176 -12.648 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.387 4.886 -11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.369 5.030 -11.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.741 6.162 -12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.837 4.039 -12.894 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.243 5.282 -14.021 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.140 3.561 -14.460 1.00 0.00 H new ATOM 521 N GLU A 33 2.176 2.055 -14.518 1.00 0.00 N ATOM 522 CA GLU A 33 2.395 0.615 -14.484 1.00 0.00 C ATOM 523 C GLU A 33 3.760 0.271 -13.878 1.00 0.00 C ATOM 524 O GLU A 33 3.885 -0.680 -13.104 1.00 0.00 O ATOM 525 CB GLU A 33 2.270 0.031 -15.889 1.00 0.00 C ATOM 526 CG GLU A 33 1.255 -1.098 -16.000 1.00 0.00 C ATOM 527 CD GLU A 33 1.702 -2.369 -15.310 1.00 0.00 C ATOM 528 OE1 GLU A 33 2.368 -3.197 -15.961 1.00 0.00 O ATOM 529 OE2 GLU A 33 1.372 -2.563 -14.123 1.00 0.00 O1- ATOM 0 H GLU A 33 2.115 2.448 -15.457 1.00 0.00 H new ATOM 0 HA GLU A 33 1.630 0.172 -13.847 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.990 0.827 -16.579 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.245 -0.338 -16.207 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.309 -0.771 -15.569 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.069 -1.309 -17.053 1.00 0.00 H new ATOM 536 N GLN A 34 4.776 1.054 -14.221 1.00 0.00 N ATOM 537 CA GLN A 34 6.125 0.807 -13.719 1.00 0.00 C ATOM 538 C GLN A 34 6.222 1.062 -12.215 1.00 0.00 C ATOM 539 O GLN A 34 6.881 0.310 -11.492 1.00 0.00 O ATOM 540 CB GLN A 34 7.158 1.638 -14.485 1.00 0.00 C ATOM 541 CG GLN A 34 7.190 1.338 -15.980 1.00 0.00 C ATOM 542 CD GLN A 34 7.314 -0.152 -16.288 1.00 0.00 C ATOM 543 OE1 GLN A 34 8.003 -0.888 -15.432 1.00 0.00 O flip ATOM 544 NE2 GLN A 34 6.803 -0.630 -17.298 1.00 0.00 N flip ATOM 0 H GLN A 34 4.694 1.860 -14.840 1.00 0.00 H new ATOM 0 HA GLN A 34 6.348 -0.247 -13.887 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.942 2.696 -14.339 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.146 1.453 -14.064 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.281 1.724 -16.442 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.028 1.868 -16.433 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.278 -0.032 -17.936 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.904 -1.625 -17.498 1.00 0.00 H new ATOM 553 N VAL A 35 5.556 2.112 -11.750 1.00 0.00 N ATOM 554 CA VAL A 35 5.525 2.437 -10.323 1.00 0.00 C ATOM 555 C VAL A 35 4.860 1.314 -9.532 1.00 0.00 C ATOM 556 O VAL A 35 5.229 1.044 -8.395 1.00 0.00 O ATOM 557 CB VAL A 35 4.819 3.790 -10.048 1.00 0.00 C ATOM 558 CG1 VAL A 35 4.698 4.053 -8.549 1.00 0.00 C ATOM 559 CG2 VAL A 35 5.585 4.918 -10.712 1.00 0.00 C ATOM 0 H VAL A 35 5.028 2.756 -12.339 1.00 0.00 H new ATOM 0 HA VAL A 35 6.558 2.538 -9.991 1.00 0.00 H new ATOM 0 HB VAL A 35 3.814 3.740 -10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.199 5.008 -8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.116 3.256 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.692 4.082 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.083 5.865 -10.514 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.598 4.954 -10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.625 4.747 -11.788 1.00 0.00 H new ATOM 569 N LEU A 36 3.885 0.652 -10.148 1.00 0.00 N ATOM 570 CA LEU A 36 3.200 -0.465 -9.503 1.00 0.00 C ATOM 571 C LEU A 36 4.199 -1.561 -9.149 1.00 0.00 C ATOM 572 O LEU A 36 4.086 -2.200 -8.105 1.00 0.00 O ATOM 573 CB LEU A 36 2.115 -1.033 -10.413 1.00 0.00 C ATOM 574 CG LEU A 36 1.012 -0.065 -10.823 1.00 0.00 C ATOM 575 CD1 LEU A 36 0.052 -0.735 -11.782 1.00 0.00 C ATOM 576 CD2 LEU A 36 0.270 0.451 -9.603 1.00 0.00 C ATOM 0 H LEU A 36 3.552 0.868 -11.088 1.00 0.00 H new ATOM 0 HA LEU A 36 2.732 -0.096 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.590 -1.415 -11.317 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.656 -1.884 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 36 1.471 0.785 -11.328 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.730 -0.031 -12.065 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.592 -1.055 -12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.398 -1.602 -11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.513 1.141 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.178 -0.387 -9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.967 0.970 -8.946 1.00 0.00 H new ATOM 588 N GLU A 37 5.190 -1.759 -10.014 1.00 0.00 N ATOM 589 CA GLU A 37 6.239 -2.736 -9.756 1.00 0.00 C ATOM 590 C GLU A 37 7.091 -2.285 -8.576 1.00 0.00 C ATOM 591 O GLU A 37 7.551 -3.100 -7.774 1.00 0.00 O ATOM 592 CB GLU A 37 7.103 -2.970 -10.997 1.00 0.00 C ATOM 593 CG GLU A 37 6.322 -3.515 -12.182 1.00 0.00 C ATOM 594 CD GLU A 37 7.211 -4.149 -13.231 1.00 0.00 C ATOM 595 OE1 GLU A 37 7.525 -3.487 -14.237 1.00 0.00 O ATOM 596 OE2 GLU A 37 7.589 -5.328 -13.053 1.00 0.00 O1- ATOM 0 H GLU A 37 5.287 -1.257 -10.896 1.00 0.00 H new ATOM 0 HA GLU A 37 5.768 -3.687 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.576 -2.031 -11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.903 -3.667 -10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.602 -4.253 -11.828 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.751 -2.706 -12.638 1.00 0.00 H new ATOM 603 N GLU A 38 7.305 -0.978 -8.482 1.00 0.00 N ATOM 604 CA GLU A 38 8.030 -0.395 -7.361 1.00 0.00 C ATOM 605 C GLU A 38 7.249 -0.621 -6.070 1.00 0.00 C ATOM 606 O GLU A 38 7.824 -0.934 -5.027 1.00 0.00 O ATOM 607 CB GLU A 38 8.242 1.104 -7.583 1.00 0.00 C ATOM 608 CG GLU A 38 9.159 1.440 -8.742 1.00 0.00 C ATOM 609 CD GLU A 38 9.257 2.931 -8.981 1.00 0.00 C ATOM 610 OE1 GLU A 38 9.815 3.644 -8.123 1.00 0.00 O ATOM 611 OE2 GLU A 38 8.782 3.400 -10.033 1.00 0.00 O1- ATOM 0 H GLU A 38 6.985 -0.299 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 38 9.004 -0.878 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.274 1.575 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.653 1.540 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.153 1.040 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.793 0.952 -9.646 1.00 0.00 H new ATOM 618 N ILE A 39 5.928 -0.478 -6.164 1.00 0.00 N ATOM 619 CA ILE A 39 5.034 -0.684 -5.030 1.00 0.00 C ATOM 620 C ILE A 39 5.172 -2.108 -4.499 1.00 0.00 C ATOM 621 O ILE A 39 5.154 -2.329 -3.290 1.00 0.00 O ATOM 622 CB ILE A 39 3.550 -0.422 -5.417 1.00 0.00 C ATOM 623 CG1 ILE A 39 3.349 1.030 -5.881 1.00 0.00 C ATOM 624 CG2 ILE A 39 2.618 -0.738 -4.250 1.00 0.00 C ATOM 625 CD1 ILE A 39 3.694 2.071 -4.836 1.00 0.00 C ATOM 0 H ILE A 39 5.450 -0.217 -7.026 1.00 0.00 H new ATOM 0 HA ILE A 39 5.320 0.028 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 39 3.302 -1.085 -6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.960 1.204 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.309 1.163 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.587 -0.547 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.727 -1.786 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.874 -0.107 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.524 3.067 -5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.065 1.927 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.742 1.969 -4.553 1.00 0.00 H new ATOM 637 N GLU A 40 5.342 -3.066 -5.412 1.00 0.00 N ATOM 638 CA GLU A 40 5.490 -4.473 -5.035 1.00 0.00 C ATOM 639 C GLU A 40 6.681 -4.643 -4.105 1.00 0.00 C ATOM 640 O GLU A 40 6.590 -5.305 -3.065 1.00 0.00 O ATOM 641 CB GLU A 40 5.693 -5.345 -6.276 1.00 0.00 C ATOM 642 CG GLU A 40 4.535 -5.332 -7.252 1.00 0.00 C ATOM 643 CD GLU A 40 4.812 -6.173 -8.479 1.00 0.00 C ATOM 644 OE1 GLU A 40 4.773 -7.412 -8.376 1.00 0.00 O ATOM 645 OE2 GLU A 40 5.063 -5.601 -9.560 1.00 0.00 O1- ATOM 0 H GLU A 40 5.381 -2.894 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 40 4.579 -4.785 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.592 -5.012 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.871 -6.372 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.639 -5.702 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.330 -4.306 -7.556 1.00 0.00 H new ATOM 652 N GLU A 41 7.786 -4.016 -4.473 1.00 0.00 N ATOM 653 CA GLU A 41 8.998 -4.074 -3.693 1.00 0.00 C ATOM 654 C GLU A 41 8.813 -3.383 -2.354 1.00 0.00 C ATOM 655 O GLU A 41 9.301 -3.855 -1.334 1.00 0.00 O ATOM 656 CB GLU A 41 10.141 -3.430 -4.464 1.00 0.00 C ATOM 657 CG GLU A 41 10.476 -4.145 -5.756 1.00 0.00 C ATOM 658 CD GLU A 41 10.878 -5.583 -5.525 1.00 0.00 C ATOM 659 OE1 GLU A 41 12.057 -5.829 -5.207 1.00 0.00 O ATOM 660 OE2 GLU A 41 10.021 -6.478 -5.667 1.00 0.00 O1- ATOM 0 H GLU A 41 7.862 -3.455 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 41 9.238 -5.120 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.881 -2.395 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.028 -3.406 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.613 -4.113 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.287 -3.619 -6.260 1.00 0.00 H new ATOM 667 N LEU A 42 8.091 -2.274 -2.363 1.00 0.00 N ATOM 668 CA LEU A 42 7.834 -1.517 -1.148 1.00 0.00 C ATOM 669 C LEU A 42 6.983 -2.325 -0.171 1.00 0.00 C ATOM 670 O LEU A 42 7.232 -2.315 1.036 1.00 0.00 O ATOM 671 CB LEU A 42 7.156 -0.190 -1.478 1.00 0.00 C ATOM 672 CG LEU A 42 7.953 0.756 -2.376 1.00 0.00 C ATOM 673 CD1 LEU A 42 7.169 2.028 -2.642 1.00 0.00 C ATOM 674 CD2 LEU A 42 9.305 1.082 -1.753 1.00 0.00 C ATOM 0 H LEU A 42 7.670 -1.876 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 42 8.791 -1.308 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.201 -0.401 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.934 0.326 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 42 8.128 0.254 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.753 2.688 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.230 1.780 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.960 2.531 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.855 1.757 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.154 1.560 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.875 0.163 -1.618 1.00 0.00 H new ATOM 686 N ILE A 43 5.988 -3.029 -0.700 1.00 0.00 N ATOM 687 CA ILE A 43 5.123 -3.876 0.122 1.00 0.00 C ATOM 688 C ILE A 43 5.947 -4.969 0.801 1.00 0.00 C ATOM 689 O ILE A 43 5.818 -5.209 2.007 1.00 0.00 O ATOM 690 CB ILE A 43 3.994 -4.534 -0.721 1.00 0.00 C ATOM 691 CG1 ILE A 43 3.088 -3.462 -1.336 1.00 0.00 C ATOM 692 CG2 ILE A 43 3.174 -5.499 0.134 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.045 -4.016 -2.288 1.00 0.00 C ATOM 0 H ILE A 43 5.758 -3.032 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 43 4.661 -3.237 0.875 1.00 0.00 H new ATOM 0 HB ILE A 43 4.458 -5.100 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.585 -2.921 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.706 -2.739 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.390 -5.948 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.824 -6.282 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.722 -4.956 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.442 -3.198 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.541 -4.532 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.402 -4.717 -1.755 1.00 0.00 H new ATOM 705 N GLN A 44 6.809 -5.613 0.025 1.00 0.00 N ATOM 706 CA GLN A 44 7.664 -6.658 0.541 1.00 0.00 C ATOM 707 C GLN A 44 8.689 -6.071 1.510 1.00 0.00 C ATOM 708 O GLN A 44 9.025 -6.682 2.522 1.00 0.00 O ATOM 709 CB GLN A 44 8.361 -7.380 -0.609 1.00 0.00 C ATOM 710 CG GLN A 44 9.162 -8.589 -0.176 1.00 0.00 C ATOM 711 CD GLN A 44 9.771 -9.331 -1.345 1.00 0.00 C ATOM 712 OE1 GLN A 44 9.221 -9.340 -2.445 1.00 0.00 O ATOM 713 NE2 GLN A 44 10.904 -9.961 -1.118 1.00 0.00 N ATOM 0 H GLN A 44 6.930 -5.424 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 44 7.054 -7.380 1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.612 -7.694 -1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.024 -6.679 -1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.955 -8.272 0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.517 -9.266 0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.328 -9.929 -0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.358 -10.481 -1.869 1.00 0.00 H new ATOM 722 N LYS A 45 9.164 -4.872 1.195 1.00 0.00 N ATOM 723 CA LYS A 45 10.122 -4.164 2.034 1.00 0.00 C ATOM 724 C LYS A 45 9.531 -3.892 3.409 1.00 0.00 C ATOM 725 O LYS A 45 10.199 -4.069 4.423 1.00 0.00 O ATOM 726 CB LYS A 45 10.542 -2.848 1.359 1.00 0.00 C ATOM 727 CG LYS A 45 11.379 -1.922 2.231 1.00 0.00 C ATOM 728 CD LYS A 45 11.864 -0.718 1.437 1.00 0.00 C ATOM 729 CE LYS A 45 12.586 0.290 2.320 1.00 0.00 C ATOM 730 NZ LYS A 45 11.648 1.051 3.181 1.00 0.00 N ATOM 0 H LYS A 45 8.896 -4.364 0.352 1.00 0.00 H new ATOM 0 HA LYS A 45 11.005 -4.791 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.106 -3.083 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.645 -2.315 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.788 -1.586 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.234 -2.467 2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.534 -1.052 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.014 -0.235 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.311 -0.231 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.146 0.984 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.142 1.866 3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.847 1.387 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.296 0.434 3.941 1.00 0.00 H new ATOM 744 N HIS A 46 8.270 -3.481 3.437 1.00 0.00 N ATOM 745 CA HIS A 46 7.590 -3.209 4.695 1.00 0.00 C ATOM 746 C HIS A 46 7.509 -4.481 5.534 1.00 0.00 C ATOM 747 O HIS A 46 7.684 -4.447 6.753 1.00 0.00 O ATOM 748 CB HIS A 46 6.188 -2.638 4.442 1.00 0.00 C ATOM 749 CG HIS A 46 5.505 -2.128 5.682 1.00 0.00 C ATOM 750 ND1 HIS A 46 4.253 -2.528 6.096 1.00 0.00 N ATOM 751 CD2 HIS A 46 5.924 -1.216 6.597 1.00 0.00 C ATOM 752 CE1 HIS A 46 3.958 -1.861 7.220 1.00 0.00 C ATOM 753 NE2 HIS A 46 4.941 -1.053 7.566 1.00 0.00 N ATOM 0 H HIS A 46 7.699 -3.329 2.605 1.00 0.00 H new ATOM 0 HA HIS A 46 8.164 -2.464 5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.262 -1.825 3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.568 -3.411 3.989 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.656 -3.211 5.629 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.872 -0.699 6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.035 -1.971 7.771 1.00 0.00 H new ATOM 761 N ARG A 47 7.270 -5.608 4.871 1.00 0.00 N ATOM 762 CA ARG A 47 7.204 -6.884 5.559 1.00 0.00 C ATOM 763 C ARG A 47 8.575 -7.268 6.107 1.00 0.00 C ATOM 764 O ARG A 47 8.675 -7.910 7.149 1.00 0.00 O ATOM 765 CB ARG A 47 6.657 -7.992 4.659 1.00 0.00 C ATOM 766 CG ARG A 47 6.338 -9.266 5.428 1.00 0.00 C ATOM 767 CD ARG A 47 5.736 -10.336 4.543 1.00 0.00 C ATOM 768 NE ARG A 47 5.267 -11.476 5.334 1.00 0.00 N ATOM 769 CZ ARG A 47 4.873 -12.641 4.826 1.00 0.00 C ATOM 770 NH1 ARG A 47 4.924 -12.856 3.518 1.00 0.00 N ATOM 771 NH2 ARG A 47 4.445 -13.594 5.632 1.00 0.00 N ATOM 0 H ARG A 47 7.120 -5.660 3.863 1.00 0.00 H new ATOM 0 HA ARG A 47 6.510 -6.769 6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.755 -7.638 4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.386 -8.215 3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.250 -9.648 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.646 -9.035 6.238 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.905 -9.917 3.976 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.478 -10.673 3.819 1.00 0.00 H new ATOM 0 HE ARG A 47 5.240 -11.369 6.348 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.267 -12.126 2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.620 -13.752 3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.417 -13.436 6.639 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.142 -14.489 5.248 1.00 0.00 H new ATOM 785 N GLN A 48 9.631 -6.870 5.401 1.00 0.00 N ATOM 786 CA GLN A 48 10.992 -7.149 5.846 1.00 0.00 C ATOM 787 C GLN A 48 11.245 -6.484 7.192 1.00 0.00 C ATOM 788 O GLN A 48 11.802 -7.100 8.106 1.00 0.00 O ATOM 789 CB GLN A 48 12.014 -6.657 4.820 1.00 0.00 C ATOM 790 CG GLN A 48 11.945 -7.374 3.484 1.00 0.00 C ATOM 791 CD GLN A 48 12.932 -6.823 2.474 1.00 0.00 C ATOM 792 OE1 GLN A 48 14.005 -6.338 2.832 1.00 0.00 O ATOM 793 NE2 GLN A 48 12.574 -6.888 1.208 1.00 0.00 N ATOM 0 H GLN A 48 9.570 -6.356 4.522 1.00 0.00 H new ATOM 0 HA GLN A 48 11.104 -8.228 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.863 -5.590 4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.015 -6.778 5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.140 -8.436 3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.935 -7.290 3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.676 -7.298 0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.195 -6.529 0.483 1.00 0.00 H new ATOM 802 N LEU A 49 10.813 -5.235 7.320 1.00 0.00 N ATOM 803 CA LEU A 49 10.931 -4.522 8.578 1.00 0.00 C ATOM 804 C LEU A 49 10.007 -5.128 9.618 1.00 0.00 C ATOM 805 O LEU A 49 10.341 -5.187 10.798 1.00 0.00 O ATOM 806 CB LEU A 49 10.635 -3.036 8.411 1.00 0.00 C ATOM 807 CG LEU A 49 11.776 -2.196 7.838 1.00 0.00 C ATOM 808 CD1 LEU A 49 11.874 -2.337 6.330 1.00 0.00 C ATOM 809 CD2 LEU A 49 11.612 -0.753 8.240 1.00 0.00 C ATOM 0 H LEU A 49 10.379 -4.699 6.568 1.00 0.00 H new ATOM 0 HA LEU A 49 11.962 -4.620 8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.766 -2.928 7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.359 -2.627 9.383 1.00 0.00 H new ATOM 0 HG LEU A 49 12.712 -2.569 8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.697 -1.725 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.054 -3.381 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.942 -2.006 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.431 -0.165 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.664 -0.374 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.623 -0.675 9.327 1.00 0.00 H new ATOM 821 N PHE A 50 8.850 -5.599 9.166 1.00 0.00 N ATOM 822 CA PHE A 50 7.880 -6.239 10.043 1.00 0.00 C ATOM 823 C PHE A 50 8.473 -7.515 10.638 1.00 0.00 C ATOM 824 O PHE A 50 8.281 -7.807 11.810 1.00 0.00 O ATOM 825 CB PHE A 50 6.592 -6.560 9.266 1.00 0.00 C ATOM 826 CG PHE A 50 5.472 -7.105 10.116 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.514 -6.257 10.646 1.00 0.00 C ATOM 828 CD2 PHE A 50 5.376 -8.465 10.380 1.00 0.00 C ATOM 829 CE1 PHE A 50 3.483 -6.751 11.421 1.00 0.00 C ATOM 830 CE2 PHE A 50 4.349 -8.963 11.156 1.00 0.00 C ATOM 831 CZ PHE A 50 3.401 -8.106 11.677 1.00 0.00 C ATOM 0 H PHE A 50 8.561 -5.548 8.189 1.00 0.00 H new ATOM 0 HA PHE A 50 7.634 -5.555 10.856 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.247 -5.654 8.769 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.824 -7.284 8.485 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.574 -5.196 10.451 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.114 -9.141 9.973 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.742 -6.079 11.827 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.287 -10.023 11.355 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.596 -8.494 12.284 1.00 0.00 H new ATOM 841 N ASP A 51 9.201 -8.263 9.818 1.00 0.00 N ATOM 842 CA ASP A 51 9.848 -9.497 10.262 1.00 0.00 C ATOM 843 C ASP A 51 11.013 -9.190 11.192 1.00 0.00 C ATOM 844 O ASP A 51 11.225 -9.879 12.197 1.00 0.00 O ATOM 845 CB ASP A 51 10.342 -10.308 9.058 1.00 0.00 C ATOM 846 CG ASP A 51 11.153 -11.524 9.466 1.00 0.00 C ATOM 847 OD1 ASP A 51 10.563 -12.491 9.987 1.00 0.00 O ATOM 848 OD2 ASP A 51 12.385 -11.521 9.267 1.00 0.00 O1- ATOM 0 H ASP A 51 9.360 -8.037 8.836 1.00 0.00 H new ATOM 0 HA ASP A 51 9.111 -10.087 10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.486 -10.629 8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.950 -9.668 8.419 1.00 0.00 H new ATOM 853 N ASN A 52 11.754 -8.145 10.862 1.00 0.00 N ATOM 854 CA ASN A 52 12.896 -7.724 11.664 1.00 0.00 C ATOM 855 C ASN A 52 12.431 -7.232 13.029 1.00 0.00 C ATOM 856 O ASN A 52 13.047 -7.527 14.055 1.00 0.00 O ATOM 857 CB ASN A 52 13.672 -6.619 10.940 1.00 0.00 C ATOM 858 CG ASN A 52 14.947 -6.232 11.660 1.00 0.00 C ATOM 859 OD1 ASN A 52 14.954 -5.332 12.505 1.00 0.00 O ATOM 860 ND2 ASN A 52 16.032 -6.902 11.329 1.00 0.00 N ATOM 0 H ASN A 52 11.585 -7.568 10.038 1.00 0.00 H new ATOM 0 HA ASN A 52 13.556 -8.580 11.808 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.916 -6.953 9.932 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.035 -5.740 10.839 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.922 -6.684 11.777 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.982 -7.639 10.625 1.00 0.00 H new ATOM 867 N ARG A 53 11.342 -6.486 13.021 1.00 0.00 N ATOM 868 CA ARG A 53 10.738 -5.957 14.235 1.00 0.00 C ATOM 869 C ARG A 53 9.982 -7.051 15.000 1.00 0.00 C ATOM 870 O ARG A 53 10.038 -7.101 16.225 1.00 0.00 O ATOM 871 CB ARG A 53 9.794 -4.785 13.860 1.00 0.00 C ATOM 872 CG ARG A 53 8.548 -4.624 14.734 1.00 0.00 C ATOM 873 CD ARG A 53 8.870 -4.156 16.144 1.00 0.00 C ATOM 874 NE ARG A 53 7.655 -4.067 16.956 1.00 0.00 N ATOM 875 CZ ARG A 53 7.626 -4.067 18.286 1.00 0.00 C ATOM 876 NH1 ARG A 53 8.750 -4.128 18.989 1.00 0.00 N ATOM 877 NH2 ARG A 53 6.462 -4.009 18.912 1.00 0.00 N ATOM 0 H ARG A 53 10.847 -6.227 12.168 1.00 0.00 H new ATOM 0 HA ARG A 53 11.524 -5.590 14.896 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.365 -3.857 13.900 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.474 -4.918 12.826 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.872 -3.909 14.265 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.020 -5.576 14.784 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.573 -4.847 16.609 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.358 -3.182 16.105 1.00 0.00 H new ATOM 0 HE ARG A 53 6.764 -4.000 16.465 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.649 -4.176 18.510 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.715 -4.127 20.008 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.596 -3.965 18.375 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.431 -4.009 19.932 1.00 0.00 H new ATOM 891 N GLN A 54 9.308 -7.932 14.258 1.00 0.00 N ATOM 892 CA GLN A 54 8.475 -8.990 14.838 1.00 0.00 C ATOM 893 C GLN A 54 7.332 -8.373 15.644 1.00 0.00 C ATOM 894 O GLN A 54 7.465 -8.090 16.838 1.00 0.00 O ATOM 895 CB GLN A 54 9.302 -9.970 15.695 1.00 0.00 C ATOM 896 CG GLN A 54 8.470 -11.054 16.374 1.00 0.00 C ATOM 897 CD GLN A 54 7.681 -11.909 15.392 1.00 0.00 C ATOM 898 OE1 GLN A 54 8.110 -12.144 14.258 1.00 0.00 O ATOM 899 NE2 GLN A 54 6.517 -12.363 15.815 1.00 0.00 N ATOM 0 H GLN A 54 9.324 -7.933 13.238 1.00 0.00 H new ATOM 0 HA GLN A 54 8.051 -9.573 14.020 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.053 -10.445 15.063 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.838 -9.406 16.458 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.129 -11.697 16.957 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.779 -10.586 17.075 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.198 -12.147 16.759 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.936 -12.930 15.198 1.00 0.00 H new ATOM 908 N GLU A 55 6.223 -8.139 14.972 1.00 0.00 N ATOM 909 CA GLU A 55 5.083 -7.504 15.593 1.00 0.00 C ATOM 910 C GLU A 55 3.931 -8.487 15.772 1.00 0.00 C ATOM 911 O GLU A 55 3.188 -8.766 14.826 1.00 0.00 O ATOM 912 CB GLU A 55 4.635 -6.300 14.761 1.00 0.00 C ATOM 913 CG GLU A 55 3.500 -5.502 15.380 1.00 0.00 C ATOM 914 CD GLU A 55 3.873 -4.906 16.716 1.00 0.00 C ATOM 915 OE1 GLU A 55 4.695 -3.965 16.743 1.00 0.00 O ATOM 916 OE2 GLU A 55 3.329 -5.346 17.741 1.00 0.00 O1- ATOM 0 H GLU A 55 6.089 -8.381 13.990 1.00 0.00 H new ATOM 0 HA GLU A 55 5.383 -7.160 16.583 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.489 -5.639 14.610 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.324 -6.649 13.776 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.208 -4.703 14.698 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.631 -6.149 15.504 1.00 0.00 H new ATOM 923 N ALA A 56 3.819 -9.023 16.984 1.00 0.00 N ATOM 924 CA ALA A 56 2.745 -9.940 17.371 1.00 0.00 C ATOM 925 C ALA A 56 2.796 -11.270 16.619 1.00 0.00 C ATOM 926 O ALA A 56 3.278 -12.270 17.150 1.00 0.00 O ATOM 927 CB ALA A 56 1.377 -9.279 17.222 1.00 0.00 C ATOM 0 H ALA A 56 4.480 -8.832 17.737 1.00 0.00 H new ATOM 0 HA ALA A 56 2.904 -10.173 18.424 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.599 -9.983 17.516 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.328 -8.396 17.860 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.226 -8.985 16.183 1.00 0.00 H new ATOM 933 N ALA A 57 2.313 -11.282 15.386 1.00 0.00 N ATOM 934 CA ALA A 57 2.252 -12.508 14.617 1.00 0.00 C ATOM 935 C ALA A 57 2.296 -12.235 13.120 1.00 0.00 C ATOM 936 O ALA A 57 1.535 -11.409 12.604 1.00 0.00 O ATOM 937 CB ALA A 57 0.992 -13.283 14.975 1.00 0.00 C ATOM 0 H ALA A 57 1.959 -10.457 14.901 1.00 0.00 H new ATOM 0 HA ALA A 57 3.128 -13.106 14.868 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.953 -14.204 14.393 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.004 -13.526 16.038 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.115 -12.675 14.752 1.00 0.00 H new ATOM 943 N ASP A 58 3.183 -12.941 12.430 1.00 0.00 N ATOM 944 CA ASP A 58 3.319 -12.825 10.976 1.00 0.00 C ATOM 945 C ASP A 58 2.051 -13.264 10.273 1.00 0.00 C ATOM 946 O ASP A 58 1.684 -12.713 9.240 1.00 0.00 O ATOM 947 CB ASP A 58 4.496 -13.668 10.478 1.00 0.00 C ATOM 948 CG ASP A 58 4.451 -13.916 8.975 1.00 0.00 C ATOM 949 OD1 ASP A 58 4.859 -13.022 8.202 1.00 0.00 O ATOM 950 OD2 ASP A 58 4.015 -15.021 8.563 1.00 0.00 O1- ATOM 0 H ASP A 58 3.827 -13.608 12.856 1.00 0.00 H new ATOM 0 HA ASP A 58 3.503 -11.776 10.744 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.430 -13.165 10.731 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.498 -14.625 11.000 1.00 0.00 H new ATOM 955 N THR A 59 1.371 -14.243 10.851 1.00 0.00 N ATOM 956 CA THR A 59 0.159 -14.779 10.263 1.00 0.00 C ATOM 957 C THR A 59 -0.910 -13.688 10.067 1.00 0.00 C ATOM 958 O THR A 59 -1.728 -13.776 9.154 1.00 0.00 O ATOM 959 CB THR A 59 -0.407 -15.961 11.094 1.00 0.00 C ATOM 960 OG1 THR A 59 -1.539 -16.539 10.430 1.00 0.00 O ATOM 961 CG2 THR A 59 -0.808 -15.510 12.488 1.00 0.00 C ATOM 0 H THR A 59 1.642 -14.682 11.731 1.00 0.00 H new ATOM 0 HA THR A 59 0.429 -15.162 9.279 1.00 0.00 H new ATOM 0 HB THR A 59 0.380 -16.710 11.186 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.886 -17.284 10.963 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.201 -16.360 13.046 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.063 -15.108 13.005 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.575 -14.739 12.414 1.00 0.00 H new ATOM 969 N GLU A 60 -0.884 -12.651 10.906 1.00 0.00 N ATOM 970 CA GLU A 60 -1.820 -11.545 10.756 1.00 0.00 C ATOM 971 C GLU A 60 -1.450 -10.707 9.547 1.00 0.00 C ATOM 972 O GLU A 60 -2.307 -10.346 8.744 1.00 0.00 O ATOM 973 CB GLU A 60 -1.851 -10.665 11.999 1.00 0.00 C ATOM 974 CG GLU A 60 -2.523 -11.302 13.196 1.00 0.00 C ATOM 975 CD GLU A 60 -2.720 -10.315 14.320 1.00 0.00 C ATOM 976 OE1 GLU A 60 -1.848 -10.240 15.209 1.00 0.00 O ATOM 977 OE2 GLU A 60 -3.741 -9.594 14.313 1.00 0.00 O1- ATOM 0 H GLU A 60 -0.233 -12.557 11.685 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.814 -11.971 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.828 -10.401 12.269 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.367 -9.735 11.759 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.489 -11.709 12.897 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.920 -12.139 13.549 1.00 0.00 H new ATOM 984 N ALA A 61 -0.162 -10.420 9.411 1.00 0.00 N ATOM 985 CA ALA A 61 0.331 -9.637 8.289 1.00 0.00 C ATOM 986 C ALA A 61 0.174 -10.418 6.997 1.00 0.00 C ATOM 987 O ALA A 61 -0.052 -9.848 5.937 1.00 0.00 O ATOM 988 CB ALA A 61 1.786 -9.254 8.506 1.00 0.00 C ATOM 0 H ALA A 61 0.560 -10.719 10.066 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.257 -8.722 8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.139 -8.669 7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.874 -8.662 9.417 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.390 -10.157 8.600 1.00 0.00 H new ATOM 994 N ALA A 62 0.299 -11.727 7.102 1.00 0.00 N ATOM 995 CA ALA A 62 0.136 -12.608 5.967 1.00 0.00 C ATOM 996 C ALA A 62 -1.329 -12.690 5.548 1.00 0.00 C ATOM 997 O ALA A 62 -1.648 -12.639 4.358 1.00 0.00 O ATOM 998 CB ALA A 62 0.670 -13.991 6.298 1.00 0.00 C ATOM 0 H ALA A 62 0.516 -12.207 7.976 1.00 0.00 H new ATOM 0 HA ALA A 62 0.705 -12.201 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.542 -14.646 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.729 -13.922 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.123 -14.399 7.148 1.00 0.00 H new ATOM 1004 N LYS A 63 -2.216 -12.802 6.533 1.00 0.00 N ATOM 1005 CA LYS A 63 -3.649 -12.905 6.272 1.00 0.00 C ATOM 1006 C LYS A 63 -4.193 -11.593 5.730 1.00 0.00 C ATOM 1007 O LYS A 63 -4.946 -11.574 4.756 1.00 0.00 O ATOM 1008 CB LYS A 63 -4.389 -13.287 7.553 1.00 0.00 C ATOM 1009 CG LYS A 63 -5.884 -13.508 7.372 1.00 0.00 C ATOM 1010 CD LYS A 63 -6.559 -13.852 8.694 1.00 0.00 C ATOM 1011 CE LYS A 63 -5.922 -15.073 9.339 1.00 0.00 C ATOM 1012 NZ LYS A 63 -6.623 -15.480 10.580 1.00 0.00 N ATOM 0 H LYS A 63 -1.967 -12.824 7.522 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.807 -13.681 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.946 -14.197 7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.237 -12.502 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.338 -12.610 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.050 -14.313 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.489 -13.002 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.620 -14.039 8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.930 -15.902 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.878 -14.858 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.155 -16.316 10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.594 -14.700 11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.613 -15.711 10.360 1.00 0.00 H new ATOM 1026 N GLN A 64 -3.787 -10.495 6.347 1.00 0.00 N ATOM 1027 CA GLN A 64 -4.214 -9.182 5.905 1.00 0.00 C ATOM 1028 C GLN A 64 -3.532 -8.846 4.587 1.00 0.00 C ATOM 1029 O GLN A 64 -4.083 -8.133 3.747 1.00 0.00 O ATOM 1030 CB GLN A 64 -3.894 -8.128 6.965 1.00 0.00 C ATOM 1031 CG GLN A 64 -4.518 -6.769 6.690 1.00 0.00 C ATOM 1032 CD GLN A 64 -4.200 -5.743 7.763 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -4.008 -6.199 8.988 1.00 0.00 O flip ATOM 1034 NE2 GLN A 64 -4.134 -4.552 7.491 1.00 0.00 N flip ATOM 0 H GLN A 64 -3.163 -10.489 7.154 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.294 -9.187 5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.239 -8.486 7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.812 -8.013 7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.164 -6.401 5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.599 -6.881 6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.288 -4.238 6.533 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.924 -3.873 8.222 1.00 0.00 H new ATOM 1043 N GLY A 65 -2.331 -9.384 4.415 1.00 0.00 N ATOM 1044 CA GLY A 65 -1.586 -9.187 3.196 1.00 0.00 C ATOM 1045 C GLY A 65 -2.302 -9.762 2.000 1.00 0.00 C ATOM 1046 O GLY A 65 -2.259 -9.193 0.922 1.00 0.00 O ATOM 0 H GLY A 65 -1.858 -9.960 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.419 -8.121 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.605 -9.653 3.291 1.00 0.00 H new ATOM 1050 N ASP A 66 -2.978 -10.890 2.198 1.00 0.00 N ATOM 1051 CA ASP A 66 -3.739 -11.531 1.123 1.00 0.00 C ATOM 1052 C ASP A 66 -4.834 -10.593 0.635 1.00 0.00 C ATOM 1053 O ASP A 66 -5.073 -10.461 -0.566 1.00 0.00 O ATOM 1054 CB ASP A 66 -4.356 -12.845 1.617 1.00 0.00 C ATOM 1055 CG ASP A 66 -5.117 -13.588 0.532 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -4.492 -14.394 -0.193 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -6.344 -13.392 0.415 1.00 0.00 O1- ATOM 0 H ASP A 66 -3.016 -11.381 3.091 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.063 -11.752 0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.566 -13.488 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.031 -12.634 2.447 1.00 0.00 H new ATOM 1062 N GLN A 67 -5.471 -9.924 1.583 1.00 0.00 N ATOM 1063 CA GLN A 67 -6.518 -8.960 1.289 1.00 0.00 C ATOM 1064 C GLN A 67 -5.925 -7.743 0.574 1.00 0.00 C ATOM 1065 O GLN A 67 -6.481 -7.242 -0.407 1.00 0.00 O ATOM 1066 CB GLN A 67 -7.188 -8.527 2.599 1.00 0.00 C ATOM 1067 CG GLN A 67 -8.322 -7.532 2.434 1.00 0.00 C ATOM 1068 CD GLN A 67 -8.821 -7.002 3.767 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -8.059 -6.891 4.736 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -10.095 -6.681 3.834 1.00 0.00 N ATOM 0 H GLN A 67 -5.276 -10.034 2.578 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.261 -9.418 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.571 -9.413 3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.431 -8.090 3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.985 -6.699 1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.146 -8.008 1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.691 -6.787 3.013 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.486 -6.327 4.707 1.00 0.00 H new ATOM 1079 N TRP A 68 -4.777 -7.305 1.063 1.00 0.00 N ATOM 1080 CA TRP A 68 -4.083 -6.153 0.533 1.00 0.00 C ATOM 1081 C TRP A 68 -3.599 -6.408 -0.900 1.00 0.00 C ATOM 1082 O TRP A 68 -3.836 -5.599 -1.802 1.00 0.00 O ATOM 1083 CB TRP A 68 -2.911 -5.826 1.459 1.00 0.00 C ATOM 1084 CG TRP A 68 -2.058 -4.697 1.009 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.867 -4.793 0.368 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -2.319 -3.302 1.174 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.362 -3.542 0.122 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -1.238 -2.608 0.608 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -3.363 -2.572 1.745 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -1.168 -1.222 0.598 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.292 -1.194 1.732 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -2.202 -0.534 1.162 1.00 0.00 C ATOM 0 H TRP A 68 -4.299 -7.747 1.848 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.765 -5.304 0.490 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.303 -5.595 2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.288 -6.715 1.562 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.386 -5.720 0.091 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.521 -3.340 -0.346 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.209 -3.076 2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.326 -0.707 0.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.093 -0.617 2.170 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.177 0.546 1.168 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.933 -7.539 -1.104 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.418 -7.908 -2.418 1.00 0.00 C ATOM 1105 C VAL A 69 -3.555 -8.063 -3.428 1.00 0.00 C ATOM 1106 O VAL A 69 -3.429 -7.655 -4.579 1.00 0.00 O ATOM 1107 CB VAL A 69 -1.572 -9.212 -2.363 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -1.125 -9.636 -3.756 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.360 -9.021 -1.464 1.00 0.00 C ATOM 0 H VAL A 69 -2.736 -8.220 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.766 -7.098 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.201 -10.001 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.536 -10.550 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.000 -9.815 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.519 -8.846 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.221 -9.943 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.259 -8.213 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.691 -8.770 -0.456 1.00 0.00 H new ATOM 1119 N GLN A 70 -4.673 -8.630 -2.986 1.00 0.00 N ATOM 1120 CA GLN A 70 -5.824 -8.821 -3.860 1.00 0.00 C ATOM 1121 C GLN A 70 -6.353 -7.474 -4.345 1.00 0.00 C ATOM 1122 O GLN A 70 -6.667 -7.306 -5.525 1.00 0.00 O ATOM 1123 CB GLN A 70 -6.926 -9.584 -3.133 1.00 0.00 C ATOM 1124 CG GLN A 70 -8.140 -9.876 -3.995 1.00 0.00 C ATOM 1125 CD GLN A 70 -9.226 -10.596 -3.234 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -8.950 -11.346 -2.298 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -10.461 -10.376 -3.621 1.00 0.00 N ATOM 0 H GLN A 70 -4.806 -8.964 -2.031 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.506 -9.405 -4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.520 -10.525 -2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.240 -9.008 -2.262 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.536 -8.940 -4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.838 -10.480 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.646 -9.747 -4.402 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.235 -10.834 -3.141 1.00 0.00 H new ATOM 1136 N LEU A 71 -6.426 -6.514 -3.432 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.876 -5.184 -3.752 1.00 0.00 C ATOM 1138 C LEU A 71 -5.926 -4.532 -4.760 1.00 0.00 C ATOM 1139 O LEU A 71 -6.362 -3.916 -5.735 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.957 -4.354 -2.469 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.163 -2.863 -2.660 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -8.506 -2.576 -3.314 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -7.038 -2.130 -1.336 1.00 0.00 C ATOM 0 H LEU A 71 -6.173 -6.645 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.866 -5.234 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.775 -4.740 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.038 -4.505 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.382 -2.497 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.627 -1.500 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.547 -3.061 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.307 -2.961 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.189 -1.062 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.790 -2.503 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.045 -2.298 -0.920 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.632 -4.697 -4.527 1.00 0.00 N ATOM 1156 CA PHE A 72 -3.613 -4.141 -5.405 1.00 0.00 C ATOM 1157 C PHE A 72 -3.698 -4.757 -6.806 1.00 0.00 C ATOM 1158 O PHE A 72 -3.583 -4.053 -7.811 1.00 0.00 O ATOM 1159 CB PHE A 72 -2.219 -4.357 -4.804 1.00 0.00 C ATOM 1160 CG PHE A 72 -1.102 -3.774 -5.624 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -0.997 -2.403 -5.802 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -0.154 -4.596 -6.212 1.00 0.00 C ATOM 1163 CE1 PHE A 72 0.030 -1.865 -6.551 1.00 0.00 C ATOM 1164 CE2 PHE A 72 0.875 -4.062 -6.962 1.00 0.00 C ATOM 1165 CZ PHE A 72 0.967 -2.696 -7.132 1.00 0.00 C ATOM 0 H PHE A 72 -4.261 -5.216 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.791 -3.070 -5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.192 -3.917 -3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.048 -5.427 -4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.727 -1.748 -5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.221 -5.666 -6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.101 -0.795 -6.682 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.608 -4.713 -7.415 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.771 -2.277 -7.719 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.915 -6.070 -6.865 1.00 0.00 N ATOM 1176 CA GLN A 73 -4.029 -6.772 -8.142 1.00 0.00 C ATOM 1177 C GLN A 73 -5.219 -6.260 -8.942 1.00 0.00 C ATOM 1178 O GLN A 73 -5.133 -6.103 -10.157 1.00 0.00 O ATOM 1179 CB GLN A 73 -4.145 -8.280 -7.929 1.00 0.00 C ATOM 1180 CG GLN A 73 -2.897 -8.914 -7.341 1.00 0.00 C ATOM 1181 CD GLN A 73 -3.064 -10.396 -7.093 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -3.549 -10.743 -5.920 1.00 0.00 O flip ATOM 1183 NE2 GLN A 73 -2.767 -11.219 -7.952 1.00 0.00 N flip ATOM 0 H GLN A 73 -4.015 -6.668 -6.045 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.120 -6.573 -8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.989 -8.480 -7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.368 -8.756 -8.884 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.058 -8.754 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.648 -8.417 -6.403 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.394 -10.908 -8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.893 -12.215 -7.770 1.00 0.00 H new ATOM 1192 N ARG A 74 -6.323 -5.978 -8.249 1.00 0.00 N ATOM 1193 CA ARG A 74 -7.521 -5.448 -8.901 1.00 0.00 C ATOM 1194 C ARG A 74 -7.208 -4.130 -9.598 1.00 0.00 C ATOM 1195 O ARG A 74 -7.675 -3.873 -10.706 1.00 0.00 O ATOM 1196 CB ARG A 74 -8.642 -5.225 -7.888 1.00 0.00 C ATOM 1197 CG ARG A 74 -9.226 -6.491 -7.291 1.00 0.00 C ATOM 1198 CD ARG A 74 -10.366 -6.158 -6.341 1.00 0.00 C ATOM 1199 NE ARG A 74 -11.436 -5.417 -7.018 1.00 0.00 N ATOM 1200 CZ ARG A 74 -12.057 -4.338 -6.519 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -11.726 -3.866 -5.321 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -13.010 -3.737 -7.224 1.00 0.00 N ATOM 0 H ARG A 74 -6.413 -6.107 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.849 -6.182 -9.637 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.262 -4.601 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.443 -4.666 -8.372 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.587 -7.142 -8.087 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.450 -7.040 -6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.770 -7.079 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.985 -5.568 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.730 -5.747 -7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.996 -4.325 -4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.202 -3.045 -4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.268 -4.096 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.483 -2.916 -6.846 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.403 -3.305 -8.941 1.00 0.00 N ATOM 1217 CA PHE A 75 -6.012 -2.015 -9.485 1.00 0.00 C ATOM 1218 C PHE A 75 -5.205 -2.208 -10.764 1.00 0.00 C ATOM 1219 O PHE A 75 -5.414 -1.511 -11.755 1.00 0.00 O ATOM 1220 CB PHE A 75 -5.198 -1.230 -8.444 1.00 0.00 C ATOM 1221 CG PHE A 75 -4.847 0.176 -8.856 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -5.838 1.129 -9.022 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -3.528 0.548 -9.061 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -5.523 2.423 -9.386 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.209 1.843 -9.427 1.00 0.00 C ATOM 1226 CZ PHE A 75 -4.207 2.780 -9.589 1.00 0.00 C ATOM 0 H PHE A 75 -6.007 -3.510 -8.024 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.908 -1.444 -9.726 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.763 -1.192 -7.513 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.277 -1.775 -8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.871 0.856 -8.865 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.741 -0.181 -8.934 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.307 3.155 -9.512 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.177 2.120 -9.586 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.958 3.792 -9.874 1.00 0.00 H new ATOM 1236 N ARG A 76 -4.297 -3.177 -10.739 1.00 0.00 N ATOM 1237 CA ARG A 76 -3.459 -3.470 -11.893 1.00 0.00 C ATOM 1238 C ARG A 76 -4.294 -3.997 -13.051 1.00 0.00 C ATOM 1239 O ARG A 76 -4.093 -3.605 -14.201 1.00 0.00 O ATOM 1240 CB ARG A 76 -2.371 -4.476 -11.537 1.00 0.00 C ATOM 1241 CG ARG A 76 -1.566 -4.101 -10.312 1.00 0.00 C ATOM 1242 CD ARG A 76 -0.233 -4.815 -10.292 1.00 0.00 C ATOM 1243 NE ARG A 76 0.663 -4.312 -11.336 1.00 0.00 N ATOM 1244 CZ ARG A 76 1.989 -4.428 -11.304 1.00 0.00 C ATOM 1245 NH1 ARG A 76 2.573 -5.095 -10.318 1.00 0.00 N ATOM 1246 NH2 ARG A 76 2.725 -3.883 -12.265 1.00 0.00 N ATOM 0 H ARG A 76 -4.123 -3.773 -9.930 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.984 -2.538 -12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.831 -5.451 -11.373 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.695 -4.581 -12.386 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.404 -3.023 -10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.129 -4.352 -9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.235 -4.686 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.390 -5.885 -10.431 1.00 0.00 H new ATOM 0 HE ARG A 76 0.244 -3.843 -12.139 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.006 -5.519 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.589 -5.184 -10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.275 -3.376 -13.027 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.741 -3.971 -12.241 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.234 -4.886 -12.740 1.00 0.00 N ATOM 1261 CA GLU A 77 -6.117 -5.454 -13.751 1.00 0.00 C ATOM 1262 C GLU A 77 -6.939 -4.371 -14.420 1.00 0.00 C ATOM 1263 O GLU A 77 -7.095 -4.366 -15.638 1.00 0.00 O ATOM 1264 CB GLU A 77 -7.040 -6.510 -13.142 1.00 0.00 C ATOM 1265 CG GLU A 77 -6.324 -7.776 -12.722 1.00 0.00 C ATOM 1266 CD GLU A 77 -5.541 -8.389 -13.858 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -4.294 -8.408 -13.783 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -6.164 -8.843 -14.837 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.403 -5.228 -11.794 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.491 -5.933 -14.504 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.543 -6.083 -12.274 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.814 -6.764 -13.866 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.649 -7.553 -11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.052 -8.498 -12.353 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.450 -3.447 -13.622 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.240 -2.346 -14.140 1.00 0.00 C ATOM 1277 C ALA A 78 -7.418 -1.500 -15.111 1.00 0.00 C ATOM 1278 O ALA A 78 -7.911 -1.090 -16.157 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.774 -1.497 -13.001 1.00 0.00 C ATOM 0 H ALA A 78 -7.330 -3.440 -12.609 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.088 -2.757 -14.688 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.365 -0.675 -13.406 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.401 -2.110 -12.353 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.940 -1.095 -12.425 1.00 0.00 H new ATOM 1285 N ILE A 79 -6.157 -1.260 -14.762 1.00 0.00 N ATOM 1286 CA ILE A 79 -5.248 -0.496 -15.617 1.00 0.00 C ATOM 1287 C ILE A 79 -4.968 -1.259 -16.910 1.00 0.00 C ATOM 1288 O ILE A 79 -4.964 -0.684 -17.998 1.00 0.00 O ATOM 1289 CB ILE A 79 -3.908 -0.205 -14.893 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -4.154 0.651 -13.655 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -2.920 0.485 -15.830 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -2.928 0.853 -12.802 1.00 0.00 C ATOM 0 H ILE A 79 -5.739 -1.584 -13.890 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.733 0.452 -15.850 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.473 -1.155 -14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.533 1.624 -13.967 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.933 0.185 -13.051 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.988 0.678 -15.298 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.722 -0.158 -16.687 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.343 1.428 -16.174 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.182 1.471 -11.941 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.560 -0.114 -12.459 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.154 1.348 -13.389 1.00 0.00 H new ATOM 1304 N ASP A 80 -4.758 -2.561 -16.777 1.00 0.00 N ATOM 1305 CA ASP A 80 -4.486 -3.432 -17.921 1.00 0.00 C ATOM 1306 C ASP A 80 -5.680 -3.463 -18.879 1.00 0.00 C ATOM 1307 O ASP A 80 -5.515 -3.571 -20.095 1.00 0.00 O ATOM 1308 CB ASP A 80 -4.156 -4.850 -17.433 1.00 0.00 C ATOM 1309 CG ASP A 80 -3.850 -5.814 -18.562 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -2.705 -5.815 -19.057 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -4.747 -6.592 -18.946 1.00 0.00 O1- ATOM 0 H ASP A 80 -4.770 -3.045 -15.879 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.628 -3.034 -18.463 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.300 -4.806 -16.760 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.997 -5.233 -16.855 1.00 0.00 H new ATOM 1316 N LYS A 81 -6.880 -3.351 -18.321 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.108 -3.358 -19.117 1.00 0.00 C ATOM 1318 C LYS A 81 -8.485 -1.946 -19.562 1.00 0.00 C ATOM 1319 O LYS A 81 -9.437 -1.759 -20.319 1.00 0.00 O ATOM 1320 CB LYS A 81 -9.262 -3.965 -18.317 1.00 0.00 C ATOM 1321 CG LYS A 81 -9.002 -5.381 -17.843 1.00 0.00 C ATOM 1322 CD LYS A 81 -10.180 -5.929 -17.058 1.00 0.00 C ATOM 1323 CE LYS A 81 -9.861 -7.289 -16.461 1.00 0.00 C ATOM 1324 NZ LYS A 81 -9.416 -8.255 -17.493 1.00 0.00 N ATOM 0 H LYS A 81 -7.032 -3.254 -17.317 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.923 -3.966 -20.003 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.463 -3.334 -17.452 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.161 -3.958 -18.933 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.805 -6.023 -18.702 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.108 -5.399 -17.220 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.445 -5.233 -16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.049 -6.011 -17.711 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.083 -7.180 -15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.744 -7.679 -15.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.371 -9.208 -17.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.090 -8.252 -18.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.474 -7.983 -17.840 1.00 0.00 H new ATOM 1338 N GLY A 82 -7.744 -0.959 -19.079 1.00 0.00 N ATOM 1339 CA GLY A 82 -8.016 0.420 -19.432 1.00 0.00 C ATOM 1340 C GLY A 82 -9.308 0.940 -18.820 1.00 0.00 C ATOM 1341 O GLY A 82 -9.970 1.804 -19.395 1.00 0.00 O ATOM 0 H GLY A 82 -6.955 -1.090 -18.446 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.186 1.045 -19.103 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.072 0.509 -20.517 1.00 0.00 H new ATOM 1345 N ASP A 83 -9.662 0.422 -17.655 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.882 0.839 -16.974 1.00 0.00 C ATOM 1347 C ASP A 83 -10.563 1.934 -15.968 1.00 0.00 C ATOM 1348 O ASP A 83 -10.126 1.660 -14.848 1.00 0.00 O ATOM 1349 CB ASP A 83 -11.549 -0.347 -16.273 1.00 0.00 C ATOM 1350 CG ASP A 83 -12.970 -0.043 -15.838 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -13.159 0.744 -14.888 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -13.910 -0.608 -16.437 1.00 0.00 O1- ATOM 0 H ASP A 83 -9.123 -0.288 -17.159 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.578 1.227 -17.718 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.554 -1.205 -16.945 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.958 -0.628 -15.401 1.00 0.00 H new ATOM 1357 N LYS A 84 -10.760 3.172 -16.384 1.00 0.00 N ATOM 1358 CA LYS A 84 -10.434 4.329 -15.557 1.00 0.00 C ATOM 1359 C LYS A 84 -11.389 4.470 -14.376 1.00 0.00 C ATOM 1360 O LYS A 84 -10.989 4.905 -13.294 1.00 0.00 O ATOM 1361 CB LYS A 84 -10.472 5.598 -16.403 1.00 0.00 C ATOM 1362 CG LYS A 84 -9.602 5.534 -17.649 1.00 0.00 C ATOM 1363 CD LYS A 84 -9.772 6.777 -18.515 1.00 0.00 C ATOM 1364 CE LYS A 84 -9.327 8.032 -17.786 1.00 0.00 C ATOM 1365 NZ LYS A 84 -7.880 8.002 -17.459 1.00 0.00 N ATOM 0 H LYS A 84 -11.148 3.407 -17.298 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.431 4.178 -15.159 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -11.502 5.794 -16.701 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -10.151 6.441 -15.791 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.556 5.432 -17.359 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.860 4.648 -18.229 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.194 6.664 -19.432 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.817 6.877 -18.808 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.541 8.905 -18.403 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.904 8.142 -16.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.574 8.947 -17.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.711 7.316 -16.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.339 7.722 -18.302 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.641 4.088 -14.585 1.00 0.00 N ATOM 1380 CA ASP A 85 -13.673 4.212 -13.554 1.00 0.00 C ATOM 1381 C ASP A 85 -13.335 3.391 -12.315 1.00 0.00 C ATOM 1382 O ASP A 85 -13.450 3.876 -11.184 1.00 0.00 O ATOM 1383 CB ASP A 85 -15.033 3.793 -14.110 1.00 0.00 C ATOM 1384 CG ASP A 85 -16.121 3.814 -13.060 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -16.582 4.921 -12.697 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -16.531 2.722 -12.601 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.972 3.687 -15.463 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.716 5.260 -13.256 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.309 4.460 -14.927 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.957 2.790 -14.529 1.00 0.00 H new ATOM 1391 N SER A 86 -12.904 2.159 -12.527 1.00 0.00 N ATOM 1392 CA SER A 86 -12.551 1.277 -11.427 1.00 0.00 C ATOM 1393 C SER A 86 -11.373 1.831 -10.629 1.00 0.00 C ATOM 1394 O SER A 86 -11.323 1.688 -9.420 1.00 0.00 O ATOM 1395 CB SER A 86 -12.210 -0.122 -11.946 1.00 0.00 C ATOM 1396 OG SER A 86 -13.276 -0.660 -12.709 1.00 0.00 O ATOM 0 H SER A 86 -12.790 1.746 -13.453 1.00 0.00 H new ATOM 0 HA SER A 86 -13.416 1.213 -10.767 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.309 -0.076 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.992 -0.781 -11.106 1.00 0.00 H new ATOM 0 HG SER A 86 -13.570 -0.000 -13.371 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.453 2.495 -11.312 1.00 0.00 N ATOM 1403 CA LEU A 87 -9.229 2.990 -10.682 1.00 0.00 C ATOM 1404 C LEU A 87 -9.512 3.957 -9.529 1.00 0.00 C ATOM 1405 O LEU A 87 -8.892 3.852 -8.478 1.00 0.00 O ATOM 1406 CB LEU A 87 -8.319 3.646 -11.723 1.00 0.00 C ATOM 1407 CG LEU A 87 -7.900 2.743 -12.885 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -6.997 3.485 -13.853 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -7.213 1.498 -12.368 1.00 0.00 C ATOM 0 H LEU A 87 -10.527 2.706 -12.307 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.719 2.127 -10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.829 4.520 -12.129 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.421 4.006 -11.221 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.800 2.445 -13.423 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.714 2.820 -14.669 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.527 4.349 -14.255 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.101 3.820 -13.331 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.922 0.868 -13.208 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.325 1.781 -11.802 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.896 0.948 -11.721 1.00 0.00 H new ATOM 1421 N GLU A 88 -10.449 4.884 -9.716 1.00 0.00 N ATOM 1422 CA GLU A 88 -10.794 5.828 -8.646 1.00 0.00 C ATOM 1423 C GLU A 88 -11.403 5.077 -7.461 1.00 0.00 C ATOM 1424 O GLU A 88 -11.068 5.337 -6.304 1.00 0.00 O ATOM 1425 CB GLU A 88 -11.757 6.913 -9.153 1.00 0.00 C ATOM 1426 CG GLU A 88 -12.194 7.918 -8.081 1.00 0.00 C ATOM 1427 CD GLU A 88 -11.044 8.745 -7.513 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -10.883 9.914 -7.927 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -10.305 8.238 -6.640 1.00 0.00 O1- ATOM 0 H GLU A 88 -10.977 5.004 -10.581 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.880 6.323 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.279 7.455 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.643 6.432 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.938 8.591 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.680 7.380 -7.267 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.278 4.124 -7.761 1.00 0.00 N ATOM 1437 CA GLN A 89 -12.901 3.302 -6.729 1.00 0.00 C ATOM 1438 C GLN A 89 -11.834 2.495 -6.002 1.00 0.00 C ATOM 1439 O GLN A 89 -11.867 2.346 -4.780 1.00 0.00 O ATOM 1440 CB GLN A 89 -13.927 2.358 -7.349 1.00 0.00 C ATOM 1441 CG GLN A 89 -14.986 3.059 -8.176 1.00 0.00 C ATOM 1442 CD GLN A 89 -16.012 2.099 -8.733 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -15.714 0.934 -8.996 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -17.225 2.573 -8.912 1.00 0.00 N ATOM 0 H GLN A 89 -12.573 3.901 -8.712 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.409 3.955 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.408 1.636 -7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.415 1.795 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.488 3.806 -7.561 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.507 3.592 -8.998 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -17.432 3.545 -8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -17.959 1.969 -9.281 1.00 0.00 H new ATOM 1453 N LEU A 90 -10.889 1.987 -6.777 1.00 0.00 N ATOM 1454 CA LEU A 90 -9.764 1.226 -6.262 1.00 0.00 C ATOM 1455 C LEU A 90 -8.897 2.089 -5.355 1.00 0.00 C ATOM 1456 O LEU A 90 -8.505 1.663 -4.272 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.933 0.683 -7.427 1.00 0.00 C ATOM 1458 CG LEU A 90 -9.254 -0.743 -7.895 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -8.723 -1.736 -6.904 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -10.749 -0.949 -8.090 1.00 0.00 C ATOM 0 H LEU A 90 -10.882 2.093 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.147 0.393 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.056 1.356 -8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.882 0.719 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.771 -0.895 -8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.954 -2.746 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.643 -1.621 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.186 -1.564 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.935 -1.971 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.267 -0.773 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.118 -0.251 -8.842 1.00 0.00 H new ATOM 1472 N LEU A 91 -8.606 3.306 -5.804 1.00 0.00 N ATOM 1473 CA LEU A 91 -7.822 4.249 -5.018 1.00 0.00 C ATOM 1474 C LEU A 91 -8.542 4.576 -3.717 1.00 0.00 C ATOM 1475 O LEU A 91 -7.911 4.775 -2.676 1.00 0.00 O ATOM 1476 CB LEU A 91 -7.551 5.529 -5.818 1.00 0.00 C ATOM 1477 CG LEU A 91 -6.643 5.371 -7.043 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -6.575 6.669 -7.829 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -5.248 4.933 -6.622 1.00 0.00 C ATOM 0 H LEU A 91 -8.903 3.662 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.864 3.787 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.506 5.938 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.103 6.264 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.068 4.600 -7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.926 6.537 -8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.575 6.944 -8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.175 7.459 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.618 4.826 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.817 5.681 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.308 3.977 -6.102 1.00 0.00 H new ATOM 1491 N GLU A 92 -9.863 4.635 -3.786 1.00 0.00 N ATOM 1492 CA GLU A 92 -10.686 4.876 -2.615 1.00 0.00 C ATOM 1493 C GLU A 92 -10.553 3.714 -1.631 1.00 0.00 C ATOM 1494 O GLU A 92 -10.382 3.920 -0.427 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.142 5.045 -3.031 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.091 5.301 -1.882 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.525 5.317 -2.330 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -15.174 4.254 -2.293 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.013 6.387 -2.737 1.00 0.00 O1- ATOM 0 H GLU A 92 -10.391 4.518 -4.651 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.348 5.790 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.212 5.873 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.463 4.147 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.957 4.531 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.846 6.255 -1.415 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.610 2.490 -2.155 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.453 1.301 -1.329 1.00 0.00 C ATOM 1508 C GLU A 93 -9.055 1.255 -0.744 1.00 0.00 C ATOM 1509 O GLU A 93 -8.862 0.857 0.401 1.00 0.00 O ATOM 1510 CB GLU A 93 -10.722 0.032 -2.137 1.00 0.00 C ATOM 1511 CG GLU A 93 -12.158 -0.121 -2.597 1.00 0.00 C ATOM 1512 CD GLU A 93 -12.399 -1.439 -3.297 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -12.332 -2.492 -2.628 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -12.671 -1.436 -4.513 1.00 0.00 O1- ATOM 0 H GLU A 93 -10.763 2.300 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.181 1.351 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.070 0.026 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.452 -0.834 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.823 -0.042 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.410 0.697 -3.271 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.086 1.676 -1.541 1.00 0.00 N ATOM 1522 CA LEU A 94 -6.699 1.735 -1.114 1.00 0.00 C ATOM 1523 C LEU A 94 -6.556 2.701 0.056 1.00 0.00 C ATOM 1524 O LEU A 94 -5.872 2.410 1.033 1.00 0.00 O ATOM 1525 CB LEU A 94 -5.815 2.183 -2.283 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.312 2.241 -2.010 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -3.761 0.851 -1.733 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -3.589 2.881 -3.184 1.00 0.00 C ATOM 0 H LEU A 94 -8.239 1.986 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.381 0.744 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.985 1.506 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.144 3.172 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.145 2.853 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.690 0.916 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.261 0.429 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.937 0.211 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.519 2.916 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.765 2.292 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.963 3.894 -3.334 1.00 0.00 H new ATOM 1540 N GLU A 95 -7.228 3.840 -0.049 1.00 0.00 N ATOM 1541 CA GLU A 95 -7.210 4.851 0.998 1.00 0.00 C ATOM 1542 C GLU A 95 -7.816 4.289 2.286 1.00 0.00 C ATOM 1543 O GLU A 95 -7.260 4.452 3.375 1.00 0.00 O ATOM 1544 CB GLU A 95 -7.990 6.084 0.537 1.00 0.00 C ATOM 1545 CG GLU A 95 -7.886 7.276 1.469 1.00 0.00 C ATOM 1546 CD GLU A 95 -8.704 8.451 0.986 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -8.330 9.061 -0.041 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -9.721 8.771 1.623 1.00 0.00 O1- ATOM 0 H GLU A 95 -7.798 4.088 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.178 5.139 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.632 6.377 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.040 5.814 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.222 6.987 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.842 7.575 1.559 1.00 0.00 H new ATOM 1555 N GLN A 96 -8.950 3.611 2.146 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.627 2.992 3.281 1.00 0.00 C ATOM 1557 C GLN A 96 -8.769 1.891 3.899 1.00 0.00 C ATOM 1558 O GLN A 96 -8.750 1.714 5.123 1.00 0.00 O ATOM 1559 CB GLN A 96 -10.984 2.436 2.853 1.00 0.00 C ATOM 1560 CG GLN A 96 -12.001 3.514 2.523 1.00 0.00 C ATOM 1561 CD GLN A 96 -12.354 4.353 3.733 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -11.712 5.364 4.016 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -13.373 3.940 4.455 1.00 0.00 N ATOM 0 H GLN A 96 -9.422 3.475 1.252 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.787 3.759 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.848 1.797 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.379 1.807 3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.604 4.159 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.905 3.050 2.128 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.880 3.096 4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.657 4.463 5.283 1.00 0.00 H new ATOM 1572 N ALA A 97 -8.066 1.154 3.052 1.00 0.00 N ATOM 1573 CA ALA A 97 -7.172 0.105 3.510 1.00 0.00 C ATOM 1574 C ALA A 97 -5.992 0.707 4.265 1.00 0.00 C ATOM 1575 O ALA A 97 -5.555 0.171 5.284 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.693 -0.733 2.337 1.00 0.00 C ATOM 0 H ALA A 97 -8.099 1.265 2.039 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.718 -0.546 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.024 -1.515 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.550 -1.189 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.161 -0.098 1.629 1.00 0.00 H new ATOM 1582 N LEU A 98 -5.494 1.838 3.765 1.00 0.00 N ATOM 1583 CA LEU A 98 -4.395 2.547 4.410 1.00 0.00 C ATOM 1584 C LEU A 98 -4.813 3.025 5.787 1.00 0.00 C ATOM 1585 O LEU A 98 -4.016 3.019 6.720 1.00 0.00 O ATOM 1586 CB LEU A 98 -3.942 3.743 3.564 1.00 0.00 C ATOM 1587 CG LEU A 98 -3.193 3.408 2.274 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -2.940 4.670 1.464 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -1.878 2.710 2.589 1.00 0.00 C ATOM 0 H LEU A 98 -5.837 2.282 2.913 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.560 1.854 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.821 4.334 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.301 4.375 4.179 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.811 2.733 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.406 4.414 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.892 5.136 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.341 5.365 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.357 2.478 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.256 3.364 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.077 1.787 3.133 1.00 0.00 H new ATOM 1601 N GLN A 99 -6.071 3.432 5.906 1.00 0.00 N ATOM 1602 CA GLN A 99 -6.614 3.884 7.163 1.00 0.00 C ATOM 1603 C GLN A 99 -6.598 2.740 8.176 1.00 0.00 C ATOM 1604 O GLN A 99 -6.197 2.919 9.321 1.00 0.00 O ATOM 1605 CB GLN A 99 -8.040 4.380 6.956 1.00 0.00 C ATOM 1606 CG GLN A 99 -8.620 5.095 8.151 1.00 0.00 C ATOM 1607 CD GLN A 99 -7.959 6.436 8.402 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -6.974 6.538 9.135 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -8.491 7.470 7.789 1.00 0.00 N ATOM 0 H GLN A 99 -6.734 3.455 5.132 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.004 4.702 7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.059 5.053 6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.677 3.531 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.689 5.243 7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.509 4.467 9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.307 7.344 7.190 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.088 8.399 7.912 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.007 1.559 7.721 1.00 0.00 N ATOM 1619 CA LYS A 100 -7.043 0.367 8.564 1.00 0.00 C ATOM 1620 C LYS A 100 -5.644 0.015 9.063 1.00 0.00 C ATOM 1621 O LYS A 100 -5.442 -0.248 10.254 1.00 0.00 O ATOM 1622 CB LYS A 100 -7.633 -0.810 7.773 1.00 0.00 C ATOM 1623 CG LYS A 100 -7.511 -2.159 8.468 1.00 0.00 C ATOM 1624 CD LYS A 100 -8.062 -3.276 7.597 1.00 0.00 C ATOM 1625 CE LYS A 100 -7.787 -4.642 8.202 1.00 0.00 C ATOM 1626 NZ LYS A 100 -8.397 -5.737 7.402 1.00 0.00 N ATOM 0 H LYS A 100 -7.321 1.401 6.763 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.673 0.571 9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.687 -0.609 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.135 -0.867 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.465 -2.358 8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.049 -2.133 9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.136 -3.143 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.614 -3.220 6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.710 -4.799 8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.179 -4.674 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.274 -6.641 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.411 -5.548 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.933 -5.788 6.473 1.00 0.00 H new ATOM 1640 N ILE A 101 -4.681 0.030 8.153 1.00 0.00 N ATOM 1641 CA ILE A 101 -3.303 -0.271 8.501 1.00 0.00 C ATOM 1642 C ILE A 101 -2.750 0.796 9.441 1.00 0.00 C ATOM 1643 O ILE A 101 -2.085 0.485 10.428 1.00 0.00 O ATOM 1644 CB ILE A 101 -2.404 -0.360 7.239 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.882 -1.491 6.321 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -0.941 -0.570 7.630 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -2.075 -1.626 5.045 1.00 0.00 C ATOM 0 H ILE A 101 -4.830 0.248 7.168 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.295 -1.240 8.999 1.00 0.00 H new ATOM 0 HB ILE A 101 -2.480 0.583 6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.839 -2.433 6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.927 -1.319 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.329 -0.630 6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.605 0.266 8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.845 -1.497 8.196 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.473 -2.447 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.138 -0.699 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.033 -1.830 5.293 1.00 0.00 H new ATOM 1659 N ARG A 102 -3.063 2.051 9.141 1.00 0.00 N ATOM 1660 CA ARG A 102 -2.582 3.180 9.923 1.00 0.00 C ATOM 1661 C ARG A 102 -3.068 3.095 11.368 1.00 0.00 C ATOM 1662 O ARG A 102 -2.309 3.346 12.293 1.00 0.00 O ATOM 1663 CB ARG A 102 -3.039 4.501 9.297 1.00 0.00 C ATOM 1664 CG ARG A 102 -2.291 5.717 9.815 1.00 0.00 C ATOM 1665 CD ARG A 102 -0.869 5.766 9.268 1.00 0.00 C ATOM 1666 NE ARG A 102 -0.067 6.788 9.932 1.00 0.00 N ATOM 1667 CZ ARG A 102 0.527 7.818 9.321 1.00 0.00 C ATOM 1668 NH1 ARG A 102 0.449 7.957 7.997 1.00 0.00 N ATOM 1669 NH2 ARG A 102 1.210 8.699 10.034 1.00 0.00 N ATOM 0 H ARG A 102 -3.655 2.312 8.352 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.493 3.144 9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.913 4.442 8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.104 4.633 9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.824 6.624 9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.263 5.693 10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.396 4.792 9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.898 5.966 8.197 1.00 0.00 H new ATOM 0 HE ARG A 102 0.050 6.710 10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.067 7.274 7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.905 8.746 7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.282 8.591 11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.665 9.486 9.572 1.00 0.00 H new ATOM 1683 N GLU A 103 -4.328 2.713 11.551 1.00 0.00 N ATOM 1684 CA GLU A 103 -4.912 2.612 12.889 1.00 0.00 C ATOM 1685 C GLU A 103 -4.143 1.616 13.743 1.00 0.00 C ATOM 1686 O GLU A 103 -3.829 1.887 14.902 1.00 0.00 O ATOM 1687 CB GLU A 103 -6.379 2.181 12.802 1.00 0.00 C ATOM 1688 CG GLU A 103 -7.295 3.213 12.173 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.425 4.461 13.011 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -8.400 4.560 13.790 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.565 5.349 12.901 1.00 0.00 O1- ATOM 0 H GLU A 103 -4.965 2.468 10.793 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.852 3.596 13.354 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.441 1.258 12.226 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.740 1.955 13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.913 3.480 11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.282 2.775 12.025 1.00 0.00 H new ATOM 1698 N LEU A 104 -3.831 0.476 13.162 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.110 -0.566 13.870 1.00 0.00 C ATOM 1700 C LEU A 104 -1.637 -0.197 14.053 1.00 0.00 C ATOM 1701 O LEU A 104 -1.023 -0.541 15.064 1.00 0.00 O ATOM 1702 CB LEU A 104 -3.229 -1.897 13.120 1.00 0.00 C ATOM 1703 CG LEU A 104 -4.657 -2.394 12.869 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -4.639 -3.712 12.112 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -5.415 -2.540 14.181 1.00 0.00 C ATOM 0 H LEU A 104 -4.066 0.245 12.197 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.558 -0.670 14.858 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.725 -1.798 12.159 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.692 -2.660 13.684 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.173 -1.654 12.258 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.662 -4.049 11.943 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.140 -3.574 11.153 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.103 -4.460 12.696 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.426 -2.894 13.980 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.900 -3.257 14.821 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.462 -1.574 14.683 1.00 0.00 H new ATOM 1717 N ALA A 105 -1.085 0.508 13.075 1.00 0.00 N ATOM 1718 CA ALA A 105 0.327 0.876 13.089 1.00 0.00 C ATOM 1719 C ALA A 105 0.649 1.982 14.097 1.00 0.00 C ATOM 1720 O ALA A 105 1.758 2.026 14.623 1.00 0.00 O ATOM 1721 CB ALA A 105 0.782 1.285 11.694 1.00 0.00 C ATOM 0 H ALA A 105 -1.596 0.839 12.257 1.00 0.00 H new ATOM 0 HA ALA A 105 0.876 -0.009 13.409 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.837 1.557 11.721 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.639 0.452 11.006 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.196 2.140 11.356 1.00 0.00 H new ATOM 1727 N GLU A 106 -0.321 2.853 14.395 1.00 0.00 N ATOM 1728 CA GLU A 106 -0.063 3.969 15.318 1.00 0.00 C ATOM 1729 C GLU A 106 0.040 3.479 16.755 1.00 0.00 C ATOM 1730 O GLU A 106 0.707 4.111 17.582 1.00 0.00 O ATOM 1731 CB GLU A 106 -1.178 5.026 15.237 1.00 0.00 C ATOM 1732 CG GLU A 106 -1.340 5.694 13.881 1.00 0.00 C ATOM 1733 CD GLU A 106 -0.095 6.407 13.413 1.00 0.00 C ATOM 1734 OE1 GLU A 106 0.309 7.405 14.049 1.00 0.00 O ATOM 1735 OE2 GLU A 106 0.471 5.998 12.390 1.00 0.00 O1- ATOM 0 H GLU A 106 -1.270 2.812 14.023 1.00 0.00 H new ATOM 0 HA GLU A 106 0.884 4.417 15.017 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.123 4.555 15.507 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.981 5.796 15.982 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.617 4.941 13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.162 6.408 13.932 1.00 0.00 H new ATOM 1742 N LYS A 107 -0.590 2.325 17.031 1.00 0.00 N ATOM 1743 CA LYS A 107 -0.614 1.718 18.377 1.00 0.00 C ATOM 1744 C LYS A 107 -1.329 2.619 19.394 1.00 0.00 C ATOM 1745 O LYS A 107 -1.187 3.838 19.377 1.00 0.00 O ATOM 1746 CB LYS A 107 0.806 1.406 18.873 1.00 0.00 C ATOM 1747 CG LYS A 107 1.609 0.497 17.957 1.00 0.00 C ATOM 1748 CD LYS A 107 0.984 -0.881 17.845 1.00 0.00 C ATOM 1749 CE LYS A 107 1.845 -1.804 17.003 1.00 0.00 C ATOM 1750 NZ LYS A 107 3.210 -1.945 17.568 1.00 0.00 N ATOM 0 H LYS A 107 -1.097 1.785 16.330 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.171 0.785 18.290 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.347 2.344 18.999 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.740 0.942 19.857 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.677 0.947 16.967 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.627 0.405 18.336 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.854 -1.307 18.840 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.008 -0.799 17.401 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.374 -2.785 16.940 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.910 -1.415 15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.760 -2.609 16.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.681 -1.018 17.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.147 -2.307 18.541 1.00 0.00 H new ATOM 1764 N LYS A 108 -2.091 2.020 20.283 1.00 0.00 N ATOM 1765 CA LYS A 108 -2.781 2.796 21.301 1.00 0.00 C ATOM 1766 C LYS A 108 -1.989 2.802 22.605 1.00 0.00 C ATOM 1767 O LYS A 108 -2.471 3.264 23.641 1.00 0.00 O ATOM 1768 CB LYS A 108 -4.210 2.282 21.528 1.00 0.00 C ATOM 1769 CG LYS A 108 -4.301 0.846 22.010 1.00 0.00 C ATOM 1770 CD LYS A 108 -5.742 0.462 22.282 1.00 0.00 C ATOM 1771 CE LYS A 108 -5.861 -0.961 22.799 1.00 0.00 C ATOM 1772 NZ LYS A 108 -5.380 -1.954 21.807 1.00 0.00 N ATOM 0 H LYS A 108 -2.250 1.013 20.326 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.856 3.822 20.942 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.701 2.927 22.257 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.766 2.373 20.595 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.877 0.178 21.260 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.709 0.724 22.917 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.170 1.150 23.011 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.324 0.565 21.366 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.287 -1.061 23.720 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.901 -1.171 23.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.647 -2.911 22.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.810 -1.756 20.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.345 -1.892 21.728 1.00 0.00 H new ATOM 1786 N ASN A 109 -0.768 2.300 22.541 1.00 0.00 N ATOM 1787 CA ASN A 109 0.108 2.262 23.703 1.00 0.00 C ATOM 1788 C ASN A 109 0.847 3.574 23.833 1.00 0.00 C ATOM 1789 O ASN A 109 1.606 3.921 22.908 1.00 0.00 O ATOM 1790 CB ASN A 109 1.118 1.112 23.609 1.00 0.00 C ATOM 1791 CG ASN A 109 0.465 -0.252 23.516 1.00 0.00 C ATOM 1792 OD1 ASN A 109 -0.661 -0.455 23.970 1.00 0.00 O ATOM 1793 ND2 ASN A 109 1.173 -1.201 22.940 1.00 0.00 N ATOM 1794 OXT ASN A 109 0.680 4.257 24.858 1.00 0.00 O ATOM 0 H ASN A 109 -0.357 1.911 21.692 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.513 2.098 24.583 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.751 1.264 22.735 1.00 0.00 H new ATOM 0 HB3 ASN A 109 1.769 1.137 24.483 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.792 -2.143 22.858 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.103 -0.994 22.576 1.00 0.00 H new TER 1801 ASN A 109