USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 719 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 32 ASN : amide:sc= -1.38 K(o=-2.9,f=-4.8) USER MOD Set 1.2: A 41 GLN : amide:sc= -2.23 K(o=-2.9,f=-4.1!) USER MOD Set 1.3: A 64 THR OG1 : rot 180:sc= 0.693 USER MOD Set 2.1: A 2 SER OG : rot -3:sc= 1.82 USER MOD Set 2.2: A 5 THR OG1 : rot 155:sc= 0.292 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.44 K(o=-1.4,f=-6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -0.17 (180deg=-0.731) USER MOD Single : A 53 GLN : amide:sc= -2.9 K(o=-2.9,f=-4.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 161:sc= -0.0456 (180deg=-0.372) USER MOD Single : A 74 SER OG : rot -84:sc= -0.586 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 163:sc= -0.0228 (180deg=-0.204) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 2.572 2.099 -0.409 1.00 0.00 N ATOM 19 CA SER A 2 3.421 3.263 -0.636 1.00 0.00 C ATOM 20 C SER A 2 2.909 4.469 0.146 1.00 0.00 C ATOM 21 O SER A 2 1.857 5.026 -0.168 1.00 0.00 O ATOM 22 CB SER A 2 3.478 3.595 -2.129 1.00 0.00 C ATOM 23 OG SER A 2 2.487 2.882 -2.848 1.00 0.00 O ATOM 0 HA SER A 2 4.425 3.024 -0.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.336 4.666 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.464 3.349 -2.522 1.00 0.00 H new ATOM 0 HG SER A 2 2.005 2.286 -2.237 1.00 0.00 H new ATOM 29 N VAL A 3 3.661 4.867 1.166 1.00 0.00 N ATOM 30 CA VAL A 3 3.286 6.008 1.994 1.00 0.00 C ATOM 31 C VAL A 3 2.974 7.229 1.137 1.00 0.00 C ATOM 32 O VAL A 3 2.069 8.003 1.449 1.00 0.00 O ATOM 33 CB VAL A 3 4.401 6.367 2.993 1.00 0.00 C ATOM 34 CG1 VAL A 3 4.107 7.700 3.665 1.00 0.00 C ATOM 35 CG2 VAL A 3 4.565 5.264 4.028 1.00 0.00 C ATOM 0 H VAL A 3 4.534 4.416 1.440 1.00 0.00 H new ATOM 0 HA VAL A 3 2.393 5.718 2.547 1.00 0.00 H new ATOM 0 HB VAL A 3 5.339 6.462 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.906 7.937 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.044 8.483 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.160 7.636 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.357 5.535 4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.630 5.135 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.825 4.331 3.528 1.00 0.00 H new ATOM 45 N GLU A 4 3.728 7.395 0.055 1.00 0.00 N ATOM 46 CA GLU A 4 3.531 8.524 -0.847 1.00 0.00 C ATOM 47 C GLU A 4 2.137 8.489 -1.465 1.00 0.00 C ATOM 48 O GLU A 4 1.471 9.518 -1.583 1.00 0.00 O ATOM 49 CB GLU A 4 4.591 8.514 -1.951 1.00 0.00 C ATOM 50 CG GLU A 4 6.017 8.525 -1.427 1.00 0.00 C ATOM 51 CD GLU A 4 6.939 7.624 -2.224 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.115 7.999 -2.415 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.486 6.544 -2.658 1.00 0.00 O ATOM 0 H GLU A 4 4.480 6.763 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 4 3.630 9.442 -0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.448 7.630 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.442 9.382 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.401 9.545 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.019 8.209 -0.384 1.00 0.00 H new ATOM 60 N THR A 5 1.700 7.297 -1.860 1.00 0.00 N ATOM 61 CA THR A 5 0.386 7.127 -2.467 1.00 0.00 C ATOM 62 C THR A 5 -0.725 7.463 -1.479 1.00 0.00 C ATOM 63 O THR A 5 -1.879 7.646 -1.866 1.00 0.00 O ATOM 64 CB THR A 5 0.185 5.688 -2.978 1.00 0.00 C ATOM 65 OG1 THR A 5 1.423 5.167 -3.475 1.00 0.00 O ATOM 66 CG2 THR A 5 -0.866 5.645 -4.077 1.00 0.00 C ATOM 0 H THR A 5 2.238 6.435 -1.770 1.00 0.00 H new ATOM 0 HA THR A 5 0.337 7.815 -3.311 1.00 0.00 H new ATOM 0 HB THR A 5 -0.159 5.075 -2.145 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.412 4.189 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.990 4.618 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.815 6.014 -3.688 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.547 6.271 -4.910 1.00 0.00 H new ATOM 74 N ILE A 6 -0.368 7.543 -0.201 1.00 0.00 N ATOM 75 CA ILE A 6 -1.336 7.859 0.843 1.00 0.00 C ATOM 76 C ILE A 6 -1.558 9.364 0.949 1.00 0.00 C ATOM 77 O ILE A 6 -2.690 9.841 0.875 1.00 0.00 O ATOM 78 CB ILE A 6 -0.882 7.320 2.212 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.154 5.985 2.044 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.076 7.164 3.142 1.00 0.00 C ATOM 81 CD1 ILE A 6 -0.963 4.945 1.301 1.00 0.00 C ATOM 0 H ILE A 6 0.583 7.394 0.136 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.272 7.375 0.564 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.190 8.036 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.781 6.155 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.106 5.596 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.739 6.782 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.556 8.132 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.789 6.466 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.385 4.025 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.887 4.746 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.201 5.314 0.303 1.00 0.00 H new ATOM 93 N ILE A 7 -0.469 10.106 1.122 1.00 0.00 N ATOM 94 CA ILE A 7 -0.545 11.557 1.236 1.00 0.00 C ATOM 95 C ILE A 7 -0.967 12.191 -0.086 1.00 0.00 C ATOM 96 O ILE A 7 -1.745 13.143 -0.107 1.00 0.00 O ATOM 97 CB ILE A 7 0.804 12.159 1.673 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.153 11.706 3.092 1.00 0.00 C ATOM 99 CG2 ILE A 7 0.757 13.677 1.593 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.131 12.120 4.128 1.00 0.00 C ATOM 0 H ILE A 7 0.476 9.726 1.186 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.295 11.775 1.997 1.00 0.00 H new ATOM 0 HB ILE A 7 1.581 11.803 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.251 10.621 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.124 12.117 3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.717 14.088 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.548 13.981 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.028 14.052 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.444 11.765 5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.049 13.207 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.837 11.687 3.877 1.00 0.00 H new ATOM 112 N GLU A 8 -0.448 11.653 -1.186 1.00 0.00 N ATOM 113 CA GLU A 8 -0.773 12.166 -2.511 1.00 0.00 C ATOM 114 C GLU A 8 -2.279 12.349 -2.671 1.00 0.00 C ATOM 115 O GLU A 8 -2.742 13.373 -3.172 1.00 0.00 O ATOM 116 CB GLU A 8 -0.245 11.220 -3.592 1.00 0.00 C ATOM 117 CG GLU A 8 -1.005 11.311 -4.905 1.00 0.00 C ATOM 118 CD GLU A 8 -0.123 11.041 -6.109 1.00 0.00 C ATOM 119 OE1 GLU A 8 -0.472 10.149 -6.910 1.00 0.00 O ATOM 120 OE2 GLU A 8 0.915 11.721 -6.249 1.00 0.00 O ATOM 0 H GLU A 8 0.198 10.864 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.293 13.138 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.807 11.441 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.296 10.196 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.828 10.596 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.446 12.304 -4.997 1.00 0.00 H new ATOM 127 N ARG A 9 -3.039 11.347 -2.241 1.00 0.00 N ATOM 128 CA ARG A 9 -4.493 11.395 -2.337 1.00 0.00 C ATOM 129 C ARG A 9 -5.070 12.409 -1.354 1.00 0.00 C ATOM 130 O ARG A 9 -6.102 13.026 -1.618 1.00 0.00 O ATOM 131 CB ARG A 9 -5.089 10.012 -2.068 1.00 0.00 C ATOM 132 CG ARG A 9 -4.694 8.967 -3.099 1.00 0.00 C ATOM 133 CD ARG A 9 -5.661 7.793 -3.102 1.00 0.00 C ATOM 134 NE ARG A 9 -5.856 7.248 -4.442 1.00 0.00 N ATOM 135 CZ ARG A 9 -5.014 6.398 -5.020 1.00 0.00 C ATOM 136 NH1 ARG A 9 -3.926 5.998 -4.377 1.00 0.00 N ATOM 137 NH2 ARG A 9 -5.261 5.946 -6.243 1.00 0.00 N ATOM 0 H ARG A 9 -2.672 10.492 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.755 11.706 -3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.772 9.675 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.176 10.093 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.670 9.422 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.686 8.609 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.283 7.011 -2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.621 8.113 -2.698 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.684 7.535 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.734 6.343 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.281 5.345 -4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.098 6.251 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.614 5.294 -6.686 1.00 0.00 H new ATOM 151 N ILE A 10 -4.397 12.575 -0.220 1.00 0.00 N ATOM 152 CA ILE A 10 -4.842 13.514 0.802 1.00 0.00 C ATOM 153 C ILE A 10 -4.676 14.956 0.334 1.00 0.00 C ATOM 154 O ILE A 10 -5.633 15.730 0.317 1.00 0.00 O ATOM 155 CB ILE A 10 -4.068 13.321 2.119 1.00 0.00 C ATOM 156 CG1 ILE A 10 -4.394 11.958 2.733 1.00 0.00 C ATOM 157 CG2 ILE A 10 -4.398 14.440 3.096 1.00 0.00 C ATOM 158 CD1 ILE A 10 -3.485 11.579 3.881 1.00 0.00 C ATOM 0 H ILE A 10 -3.541 12.071 0.014 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.898 13.311 0.978 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.000 13.355 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.426 11.964 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.326 11.194 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.843 14.290 4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.120 15.399 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.467 14.434 3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.774 10.602 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.454 11.540 3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.571 12.322 4.674 1.00 0.00 H new ATOM 170 N LYS A 11 -3.454 15.310 -0.049 1.00 0.00 N ATOM 171 CA LYS A 11 -3.160 16.658 -0.521 1.00 0.00 C ATOM 172 C LYS A 11 -3.941 16.971 -1.793 1.00 0.00 C ATOM 173 O LYS A 11 -4.528 18.044 -1.925 1.00 0.00 O ATOM 174 CB LYS A 11 -1.660 16.815 -0.779 1.00 0.00 C ATOM 175 CG LYS A 11 -0.789 16.222 0.315 1.00 0.00 C ATOM 176 CD LYS A 11 0.679 16.546 0.096 1.00 0.00 C ATOM 177 CE LYS A 11 0.918 18.047 0.041 1.00 0.00 C ATOM 178 NZ LYS A 11 1.284 18.500 -1.329 1.00 0.00 N ATOM 0 H LYS A 11 -2.651 14.682 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.464 17.362 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.411 16.339 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.427 17.875 -0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.107 16.608 1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.924 15.141 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.272 16.112 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.019 16.088 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.020 18.570 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.714 18.314 0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.439 19.528 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.155 18.020 -1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.514 18.268 -1.989 1.00 0.00 H new ATOM 192 N ALA A 12 -3.945 16.025 -2.727 1.00 0.00 N ATOM 193 CA ALA A 12 -4.657 16.199 -3.987 1.00 0.00 C ATOM 194 C ALA A 12 -6.105 16.611 -3.747 1.00 0.00 C ATOM 195 O ALA A 12 -6.635 17.483 -4.436 1.00 0.00 O ATOM 196 CB ALA A 12 -4.599 14.918 -4.807 1.00 0.00 C ATOM 0 H ALA A 12 -3.463 15.131 -2.635 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.168 16.997 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.135 15.062 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.559 14.667 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.062 14.106 -4.246 1.00 0.00 H new ATOM 202 N ARG A 13 -6.741 15.977 -2.767 1.00 0.00 N ATOM 203 CA ARG A 13 -8.129 16.277 -2.438 1.00 0.00 C ATOM 204 C ARG A 13 -8.225 17.530 -1.573 1.00 0.00 C ATOM 205 O ARG A 13 -9.178 18.301 -1.681 1.00 0.00 O ATOM 206 CB ARG A 13 -8.771 15.093 -1.711 1.00 0.00 C ATOM 207 CG ARG A 13 -10.205 15.349 -1.279 1.00 0.00 C ATOM 208 CD ARG A 13 -11.116 15.573 -2.476 1.00 0.00 C ATOM 209 NE ARG A 13 -12.339 14.780 -2.389 1.00 0.00 N ATOM 210 CZ ARG A 13 -13.114 14.507 -3.433 1.00 0.00 C ATOM 211 NH1 ARG A 13 -12.794 14.962 -4.637 1.00 0.00 N ATOM 212 NH2 ARG A 13 -14.211 13.779 -3.274 1.00 0.00 N ATOM 0 H ARG A 13 -6.317 15.253 -2.187 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.665 16.457 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.747 14.221 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.174 14.850 -0.832 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.568 14.501 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.239 16.221 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.373 16.630 -2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.582 15.317 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.613 14.416 -1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.951 15.523 -4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.391 14.751 -5.437 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.461 13.428 -2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.805 13.570 -4.076 1.00 0.00 H new ATOM 226 N VAL A 14 -7.230 17.727 -0.714 1.00 0.00 N ATOM 227 CA VAL A 14 -7.201 18.887 0.170 1.00 0.00 C ATOM 228 C VAL A 14 -7.176 20.185 -0.629 1.00 0.00 C ATOM 229 O VAL A 14 -7.749 21.192 -0.214 1.00 0.00 O ATOM 230 CB VAL A 14 -5.978 18.849 1.105 1.00 0.00 C ATOM 231 CG1 VAL A 14 -5.747 20.213 1.738 1.00 0.00 C ATOM 232 CG2 VAL A 14 -6.157 17.781 2.173 1.00 0.00 C ATOM 0 H VAL A 14 -6.433 17.099 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.110 18.851 0.771 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.098 18.595 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.879 20.167 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.571 20.952 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.625 20.499 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.283 17.768 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.047 18.002 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.269 16.807 1.698 1.00 0.00 H new ATOM 242 N GLY A 15 -6.509 20.155 -1.778 1.00 0.00 N ATOM 243 CA GLY A 15 -6.422 21.335 -2.618 1.00 0.00 C ATOM 244 C GLY A 15 -7.662 21.535 -3.467 1.00 0.00 C ATOM 245 O GLY A 15 -7.788 22.540 -4.166 1.00 0.00 O ATOM 0 H GLY A 15 -6.027 19.334 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.269 22.213 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.550 21.252 -3.267 1.00 0.00 H new ATOM 249 N ALA A 16 -8.578 20.574 -3.408 1.00 0.00 N ATOM 250 CA ALA A 16 -9.814 20.649 -4.178 1.00 0.00 C ATOM 251 C ALA A 16 -11.025 20.777 -3.261 1.00 0.00 C ATOM 252 O ALA A 16 -12.057 21.323 -3.651 1.00 0.00 O ATOM 253 CB ALA A 16 -9.954 19.427 -5.073 1.00 0.00 C ATOM 0 H ALA A 16 -8.488 19.735 -2.835 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.769 21.540 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.881 19.497 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.109 19.381 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.972 18.527 -4.459 1.00 0.00 H new ATOM 398 N LEU A 26 -12.363 23.153 12.176 1.00 0.00 N ATOM 399 CA LEU A 26 -11.070 23.665 11.733 1.00 0.00 C ATOM 400 C LEU A 26 -10.001 23.438 12.797 1.00 0.00 C ATOM 401 O LEU A 26 -10.139 23.885 13.935 1.00 0.00 O ATOM 402 CB LEU A 26 -11.173 25.156 11.407 1.00 0.00 C ATOM 403 CG LEU A 26 -11.181 26.105 12.606 1.00 0.00 C ATOM 404 CD1 LEU A 26 -11.228 27.552 12.140 1.00 0.00 C ATOM 405 CD2 LEU A 26 -12.357 25.799 13.522 1.00 0.00 C ATOM 0 HA LEU A 26 -10.782 23.122 10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.337 25.425 10.761 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.085 25.320 10.833 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.260 25.955 13.170 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.233 28.213 13.006 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.353 27.765 11.526 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.132 27.716 11.553 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.346 26.484 14.369 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.289 25.919 12.970 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.279 24.774 13.884 1.00 0.00 H new ATOM 417 N GLY A 27 -8.934 22.741 12.418 1.00 0.00 N ATOM 418 CA GLY A 27 -7.856 22.468 13.350 1.00 0.00 C ATOM 419 C GLY A 27 -6.709 21.716 12.706 1.00 0.00 C ATOM 420 O GLY A 27 -6.359 21.970 11.553 1.00 0.00 O ATOM 0 H GLY A 27 -8.797 22.360 11.482 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.486 23.409 13.758 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.242 21.887 14.187 1.00 0.00 H new ATOM 424 N VAL A 28 -6.119 20.787 13.453 1.00 0.00 N ATOM 425 CA VAL A 28 -5.004 19.995 12.948 1.00 0.00 C ATOM 426 C VAL A 28 -5.040 18.577 13.505 1.00 0.00 C ATOM 427 O VAL A 28 -5.477 18.353 14.635 1.00 0.00 O ATOM 428 CB VAL A 28 -3.651 20.640 13.304 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.544 20.079 12.425 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.732 22.153 13.172 1.00 0.00 C ATOM 0 H VAL A 28 -6.395 20.565 14.410 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.107 19.959 11.864 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.415 20.400 14.341 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.596 20.546 12.691 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.472 19.002 12.574 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.770 20.286 11.379 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.768 22.593 13.427 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.990 22.415 12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.496 22.537 13.848 1.00 0.00 H new ATOM 440 N PHE A 29 -4.579 17.621 12.706 1.00 0.00 N ATOM 441 CA PHE A 29 -4.559 16.222 13.119 1.00 0.00 C ATOM 442 C PHE A 29 -3.175 15.614 12.914 1.00 0.00 C ATOM 443 O PHE A 29 -2.404 16.072 12.071 1.00 0.00 O ATOM 444 CB PHE A 29 -5.601 15.422 12.335 1.00 0.00 C ATOM 445 CG PHE A 29 -6.900 15.249 13.069 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.449 13.989 13.248 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.574 16.347 13.581 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.644 13.827 13.923 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.769 16.191 14.257 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.305 14.929 14.427 1.00 0.00 C ATOM 0 H PHE A 29 -4.214 17.789 11.768 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.802 16.179 14.181 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.793 15.922 11.386 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.192 14.439 12.100 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.937 13.123 12.855 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.160 17.336 13.450 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.060 12.839 14.056 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.283 17.055 14.652 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.240 14.805 14.953 1.00 0.00 H new ATOM 460 N GLN A 30 -2.868 14.581 13.691 1.00 0.00 N ATOM 461 CA GLN A 30 -1.576 13.910 13.595 1.00 0.00 C ATOM 462 C GLN A 30 -1.754 12.427 13.287 1.00 0.00 C ATOM 463 O GLN A 30 -2.135 11.643 14.157 1.00 0.00 O ATOM 464 CB GLN A 30 -0.791 14.082 14.897 1.00 0.00 C ATOM 465 CG GLN A 30 0.665 13.660 14.789 1.00 0.00 C ATOM 466 CD GLN A 30 1.339 14.199 13.542 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.041 15.306 13.091 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.253 13.419 12.978 1.00 0.00 N ATOM 0 H GLN A 30 -3.495 14.190 14.394 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.017 14.367 12.778 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.836 15.127 15.203 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.273 13.499 15.682 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.206 14.008 15.669 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.725 12.572 14.788 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.469 12.509 13.385 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.740 13.730 12.137 1.00 0.00 H new ATOM 477 N LEU A 31 -1.476 12.049 12.044 1.00 0.00 N ATOM 478 CA LEU A 31 -1.606 10.659 11.620 1.00 0.00 C ATOM 479 C LEU A 31 -0.241 9.982 11.549 1.00 0.00 C ATOM 480 O LEU A 31 0.749 10.599 11.158 1.00 0.00 O ATOM 481 CB LEU A 31 -2.297 10.583 10.258 1.00 0.00 C ATOM 482 CG LEU A 31 -1.442 10.965 9.049 1.00 0.00 C ATOM 483 CD1 LEU A 31 -0.716 9.746 8.503 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.302 11.605 7.968 1.00 0.00 C ATOM 0 H LEU A 31 -1.159 12.685 11.312 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.213 10.135 12.358 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.661 9.566 10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.171 11.234 10.280 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.697 11.693 9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.113 10.037 7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.070 9.331 9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.445 8.995 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.677 11.870 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.070 10.900 7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.776 12.503 8.364 1.00 0.00 H new ATOM 496 N ASN A 32 -0.197 8.709 11.928 1.00 0.00 N ATOM 497 CA ASN A 32 1.046 7.947 11.905 1.00 0.00 C ATOM 498 C ASN A 32 0.882 6.662 11.100 1.00 0.00 C ATOM 499 O ASN A 32 -0.069 5.907 11.304 1.00 0.00 O ATOM 500 CB ASN A 32 1.491 7.615 13.331 1.00 0.00 C ATOM 501 CG ASN A 32 1.220 8.749 14.300 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.519 9.909 14.015 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.650 8.419 15.453 1.00 0.00 N ATOM 0 H ASN A 32 -1.008 8.183 12.255 1.00 0.00 H new ATOM 0 HA ASN A 32 1.810 8.560 11.426 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.973 6.719 13.671 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.557 7.387 13.332 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.443 9.140 16.144 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.419 7.445 15.647 1.00 0.00 H new ATOM 510 N ILE A 33 1.815 6.421 10.185 1.00 0.00 N ATOM 511 CA ILE A 33 1.774 5.226 9.350 1.00 0.00 C ATOM 512 C ILE A 33 2.627 4.111 9.944 1.00 0.00 C ATOM 513 O ILE A 33 3.856 4.157 9.890 1.00 0.00 O ATOM 514 CB ILE A 33 2.262 5.523 7.919 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.761 6.894 7.460 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.795 4.435 6.964 1.00 0.00 C ATOM 517 CD1 ILE A 33 0.260 6.963 7.291 1.00 0.00 C ATOM 0 H ILE A 33 2.608 7.036 10.003 1.00 0.00 H new ATOM 0 HA ILE A 33 0.734 4.903 9.311 1.00 0.00 H new ATOM 0 HB ILE A 33 3.352 5.537 7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.072 7.647 8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.237 7.147 6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.147 4.659 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.197 3.473 7.284 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.706 4.392 6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.024 7.963 6.964 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.056 6.234 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.224 6.741 8.242 1.00 0.00 H new ATOM 529 N LYS A 34 1.966 3.107 10.511 1.00 0.00 N ATOM 530 CA LYS A 34 2.661 1.976 11.114 1.00 0.00 C ATOM 531 C LYS A 34 3.342 1.124 10.047 1.00 0.00 C ATOM 532 O LYS A 34 2.688 0.361 9.336 1.00 0.00 O ATOM 533 CB LYS A 34 1.682 1.118 11.918 1.00 0.00 C ATOM 534 CG LYS A 34 1.890 1.203 13.420 1.00 0.00 C ATOM 535 CD LYS A 34 0.713 0.614 14.180 1.00 0.00 C ATOM 536 CE LYS A 34 1.145 0.046 15.523 1.00 0.00 C ATOM 537 NZ LYS A 34 0.996 -1.435 15.573 1.00 0.00 N ATOM 0 H LYS A 34 0.949 3.054 10.565 1.00 0.00 H new ATOM 0 HA LYS A 34 3.426 2.368 11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.663 1.427 11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.780 0.079 11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.802 0.673 13.693 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.028 2.244 13.711 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.043 1.384 14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.250 -0.172 13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.185 0.313 15.713 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.550 0.498 16.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.301 -1.783 16.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.000 -1.689 15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.583 -1.868 14.832 1.00 0.00 H new ATOM 551 N THR A 35 4.660 1.258 9.942 1.00 0.00 N ATOM 552 CA THR A 35 5.430 0.501 8.962 1.00 0.00 C ATOM 553 C THR A 35 6.295 -0.555 9.640 1.00 0.00 C ATOM 554 O THR A 35 6.661 -0.416 10.807 1.00 0.00 O ATOM 555 CB THR A 35 6.331 1.424 8.121 1.00 0.00 C ATOM 556 OG1 THR A 35 7.450 1.860 8.901 1.00 0.00 O ATOM 557 CG2 THR A 35 5.553 2.633 7.622 1.00 0.00 C ATOM 0 H THR A 35 5.217 1.884 10.524 1.00 0.00 H new ATOM 0 HA THR A 35 4.711 0.011 8.305 1.00 0.00 H new ATOM 0 HB THR A 35 6.687 0.860 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.019 2.445 8.358 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.211 3.270 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.719 2.299 7.004 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.171 3.197 8.473 1.00 0.00 H new ATOM 565 N ALA A 36 6.619 -1.611 8.901 1.00 0.00 N ATOM 566 CA ALA A 36 7.444 -2.689 9.431 1.00 0.00 C ATOM 567 C ALA A 36 8.846 -2.193 9.768 1.00 0.00 C ATOM 568 O ALA A 36 9.586 -2.846 10.504 1.00 0.00 O ATOM 569 CB ALA A 36 7.514 -3.838 8.436 1.00 0.00 C ATOM 0 H ALA A 36 6.323 -1.743 7.934 1.00 0.00 H new ATOM 0 HA ALA A 36 6.983 -3.047 10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.133 -4.636 8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.510 -4.218 8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.949 -3.484 7.501 1.00 0.00 H new ATOM 575 N SER A 37 9.206 -1.035 9.224 1.00 0.00 N ATOM 576 CA SER A 37 10.522 -0.454 9.464 1.00 0.00 C ATOM 577 C SER A 37 10.453 0.619 10.546 1.00 0.00 C ATOM 578 O SER A 37 11.471 1.008 11.116 1.00 0.00 O ATOM 579 CB SER A 37 11.081 0.144 8.172 1.00 0.00 C ATOM 580 OG SER A 37 10.925 -0.752 7.085 1.00 0.00 O ATOM 0 H SER A 37 8.605 -0.481 8.614 1.00 0.00 H new ATOM 0 HA SER A 37 11.186 -1.248 9.806 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.570 1.081 7.951 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.137 0.380 8.304 1.00 0.00 H new ATOM 0 HG SER A 37 11.289 -0.345 6.271 1.00 0.00 H new ATOM 586 N GLY A 38 9.242 1.094 10.824 1.00 0.00 N ATOM 587 CA GLY A 38 9.061 2.117 11.837 1.00 0.00 C ATOM 588 C GLY A 38 7.679 2.738 11.793 1.00 0.00 C ATOM 589 O GLY A 38 6.676 2.031 11.691 1.00 0.00 O ATOM 0 H GLY A 38 8.384 0.788 10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.229 1.682 12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.811 2.896 11.700 1.00 0.00 H new ATOM 593 N VAL A 39 7.624 4.064 11.872 1.00 0.00 N ATOM 594 CA VAL A 39 6.354 4.780 11.842 1.00 0.00 C ATOM 595 C VAL A 39 6.509 6.145 11.181 1.00 0.00 C ATOM 596 O VAL A 39 7.230 7.008 11.680 1.00 0.00 O ATOM 597 CB VAL A 39 5.783 4.969 13.260 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.714 6.051 13.264 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.227 3.656 13.790 1.00 0.00 C ATOM 0 H VAL A 39 8.444 4.664 11.957 1.00 0.00 H new ATOM 0 HA VAL A 39 5.662 4.174 11.258 1.00 0.00 H new ATOM 0 HB VAL A 39 6.591 5.287 13.919 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.322 6.171 14.274 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.148 6.993 12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.905 5.765 12.592 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.828 3.808 14.793 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.432 3.306 13.132 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.023 2.912 13.825 1.00 0.00 H new ATOM 609 N GLU A 40 5.826 6.332 10.056 1.00 0.00 N ATOM 610 CA GLU A 40 5.889 7.594 9.327 1.00 0.00 C ATOM 611 C GLU A 40 4.830 8.569 9.834 1.00 0.00 C ATOM 612 O GLU A 40 3.634 8.361 9.633 1.00 0.00 O ATOM 613 CB GLU A 40 5.698 7.352 7.828 1.00 0.00 C ATOM 614 CG GLU A 40 7.000 7.125 7.078 1.00 0.00 C ATOM 615 CD GLU A 40 6.866 7.376 5.588 1.00 0.00 C ATOM 616 OE1 GLU A 40 7.101 6.433 4.805 1.00 0.00 O ATOM 617 OE2 GLU A 40 6.526 8.516 5.206 1.00 0.00 O ATOM 0 H GLU A 40 5.224 5.627 9.630 1.00 0.00 H new ATOM 0 HA GLU A 40 6.873 8.033 9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.052 6.486 7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.182 8.208 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.769 7.781 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.335 6.101 7.242 1.00 0.00 H new ATOM 624 N GLN A 41 5.280 9.631 10.494 1.00 0.00 N ATOM 625 CA GLN A 41 4.372 10.637 11.032 1.00 0.00 C ATOM 626 C GLN A 41 4.036 11.687 9.977 1.00 0.00 C ATOM 627 O GLN A 41 4.890 12.073 9.179 1.00 0.00 O ATOM 628 CB GLN A 41 4.990 11.309 12.259 1.00 0.00 C ATOM 629 CG GLN A 41 5.548 10.326 13.275 1.00 0.00 C ATOM 630 CD GLN A 41 4.818 10.382 14.603 1.00 0.00 C ATOM 631 OE1 GLN A 41 4.944 11.350 15.353 1.00 0.00 O ATOM 632 NE2 GLN A 41 4.048 9.342 14.900 1.00 0.00 N ATOM 0 H GLN A 41 6.267 9.817 10.669 1.00 0.00 H new ATOM 0 HA GLN A 41 3.450 10.137 11.327 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.789 11.975 11.934 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.235 11.929 12.742 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.483 9.316 12.871 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.605 10.537 13.437 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.973 8.561 14.249 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.532 9.324 15.779 1.00 0.00 H new ATOM 641 N TRP A 42 2.789 12.142 9.980 1.00 0.00 N ATOM 642 CA TRP A 42 2.341 13.147 9.023 1.00 0.00 C ATOM 643 C TRP A 42 1.455 14.188 9.700 1.00 0.00 C ATOM 644 O TRP A 42 0.730 13.877 10.645 1.00 0.00 O ATOM 645 CB TRP A 42 1.581 12.483 7.874 1.00 0.00 C ATOM 646 CG TRP A 42 2.479 11.867 6.845 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.847 10.554 6.759 1.00 0.00 C ATOM 648 CD2 TRP A 42 3.125 12.538 5.757 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.682 10.369 5.684 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.867 11.571 5.053 1.00 0.00 C ATOM 651 CE3 TRP A 42 3.146 13.861 5.309 1.00 0.00 C ATOM 652 CZ2 TRP A 42 4.622 11.888 3.926 1.00 0.00 C ATOM 653 CZ3 TRP A 42 3.896 14.174 4.192 1.00 0.00 C ATOM 654 CH2 TRP A 42 4.625 13.191 3.510 1.00 0.00 C ATOM 0 H TRP A 42 2.070 11.832 10.634 1.00 0.00 H new ATOM 0 HA TRP A 42 3.222 13.651 8.624 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.924 11.714 8.279 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.944 13.225 7.392 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.528 9.776 7.437 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.097 9.481 5.401 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.586 14.626 5.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.185 11.132 3.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.921 15.194 3.838 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.200 13.467 2.639 1.00 0.00 H new ATOM 665 N ILE A 43 1.520 15.422 9.212 1.00 0.00 N ATOM 666 CA ILE A 43 0.723 16.507 9.770 1.00 0.00 C ATOM 667 C ILE A 43 -0.324 16.990 8.772 1.00 0.00 C ATOM 668 O ILE A 43 -0.018 17.239 7.606 1.00 0.00 O ATOM 669 CB ILE A 43 1.606 17.697 10.187 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.644 17.254 11.221 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.748 18.825 10.741 1.00 0.00 C ATOM 672 CD1 ILE A 43 4.034 17.783 10.947 1.00 0.00 C ATOM 0 H ILE A 43 2.117 15.695 8.431 1.00 0.00 H new ATOM 0 HA ILE A 43 0.223 16.109 10.653 1.00 0.00 H new ATOM 0 HB ILE A 43 2.132 18.065 9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.326 17.587 12.209 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.677 16.165 11.247 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.387 19.659 11.031 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.044 19.156 9.977 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.197 18.469 11.612 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.717 17.429 11.719 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.373 17.429 9.973 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.016 18.873 10.950 1.00 0.00 H new ATOM 684 N VAL A 44 -1.562 17.121 9.239 1.00 0.00 N ATOM 685 CA VAL A 44 -2.655 17.577 8.388 1.00 0.00 C ATOM 686 C VAL A 44 -3.460 18.678 9.071 1.00 0.00 C ATOM 687 O VAL A 44 -3.722 18.615 10.272 1.00 0.00 O ATOM 688 CB VAL A 44 -3.600 16.419 8.019 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.610 16.178 9.131 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.304 16.705 6.701 1.00 0.00 C ATOM 0 H VAL A 44 -1.833 16.918 10.201 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.204 17.972 7.477 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.006 15.513 7.898 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.269 15.356 8.852 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.084 15.925 10.052 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.201 17.080 9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.968 15.876 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.886 17.622 6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.563 16.822 5.911 1.00 0.00 H new ATOM 700 N ASP A 45 -3.849 19.685 8.297 1.00 0.00 N ATOM 701 CA ASP A 45 -4.626 20.800 8.826 1.00 0.00 C ATOM 702 C ASP A 45 -6.015 20.841 8.197 1.00 0.00 C ATOM 703 O ASP A 45 -6.175 20.592 7.002 1.00 0.00 O ATOM 704 CB ASP A 45 -3.899 22.121 8.573 1.00 0.00 C ATOM 705 CG ASP A 45 -4.169 23.147 9.656 1.00 0.00 C ATOM 706 OD1 ASP A 45 -5.337 23.566 9.799 1.00 0.00 O ATOM 707 OD2 ASP A 45 -3.213 23.530 10.362 1.00 0.00 O ATOM 0 H ASP A 45 -3.639 19.752 7.301 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.738 20.656 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.827 21.936 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.209 22.524 7.609 1.00 0.00 H new ATOM 712 N LEU A 46 -7.017 21.156 9.010 1.00 0.00 N ATOM 713 CA LEU A 46 -8.394 21.228 8.534 1.00 0.00 C ATOM 714 C LEU A 46 -8.757 22.655 8.134 1.00 0.00 C ATOM 715 O LEU A 46 -9.403 22.879 7.109 1.00 0.00 O ATOM 716 CB LEU A 46 -9.355 20.730 9.615 1.00 0.00 C ATOM 717 CG LEU A 46 -8.745 19.838 10.697 1.00 0.00 C ATOM 718 CD1 LEU A 46 -9.776 19.514 11.766 1.00 0.00 C ATOM 719 CD2 LEU A 46 -8.189 18.561 10.084 1.00 0.00 C ATOM 0 H LEU A 46 -6.902 21.366 10.002 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.483 20.589 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.806 21.596 10.099 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.161 20.179 9.130 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.924 20.379 11.167 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.323 18.878 12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.126 20.438 12.226 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.619 18.993 11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.759 17.938 10.868 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.992 18.016 9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.417 18.813 9.356 1.00 0.00 H new ATOM 731 N LYS A 47 -8.336 23.617 8.947 1.00 0.00 N ATOM 732 CA LYS A 47 -8.613 25.023 8.677 1.00 0.00 C ATOM 733 C LYS A 47 -8.372 25.353 7.207 1.00 0.00 C ATOM 734 O LYS A 47 -9.301 25.699 6.479 1.00 0.00 O ATOM 735 CB LYS A 47 -7.739 25.915 9.561 1.00 0.00 C ATOM 736 CG LYS A 47 -7.679 25.464 11.010 1.00 0.00 C ATOM 737 CD LYS A 47 -7.892 26.626 11.966 1.00 0.00 C ATOM 738 CE LYS A 47 -6.585 27.340 12.275 1.00 0.00 C ATOM 739 NZ LYS A 47 -6.752 28.363 13.344 1.00 0.00 N ATOM 0 H LYS A 47 -7.801 23.449 9.799 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.662 25.211 8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.728 25.937 9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.120 26.935 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.439 24.703 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.712 25.001 11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.599 27.332 11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.336 26.260 12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.837 26.610 12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.209 27.818 11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.839 28.827 13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.447 29.074 13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.086 27.903 14.215 1.00 0.00 H new ATOM 753 N GLN A 48 -7.118 25.241 6.779 1.00 0.00 N ATOM 754 CA GLN A 48 -6.756 25.527 5.396 1.00 0.00 C ATOM 755 C GLN A 48 -6.485 24.239 4.626 1.00 0.00 C ATOM 756 O GLN A 48 -6.784 23.143 5.104 1.00 0.00 O ATOM 757 CB GLN A 48 -5.525 26.434 5.345 1.00 0.00 C ATOM 758 CG GLN A 48 -5.606 27.622 6.290 1.00 0.00 C ATOM 759 CD GLN A 48 -4.475 28.610 6.082 1.00 0.00 C ATOM 760 OE1 GLN A 48 -4.702 29.763 5.714 1.00 0.00 O ATOM 761 NE2 GLN A 48 -3.247 28.163 6.318 1.00 0.00 N ATOM 0 H GLN A 48 -6.337 24.955 7.369 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.596 26.039 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.640 25.846 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.395 26.799 4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.559 28.131 6.147 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.587 27.265 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.104 27.200 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.446 28.783 6.196 1.00 0.00 H new ATOM 770 N LEU A 49 -5.919 24.376 3.433 1.00 0.00 N ATOM 771 CA LEU A 49 -5.607 23.222 2.596 1.00 0.00 C ATOM 772 C LEU A 49 -4.099 23.038 2.463 1.00 0.00 C ATOM 773 O LEU A 49 -3.530 23.243 1.390 1.00 0.00 O ATOM 774 CB LEU A 49 -6.237 23.387 1.212 1.00 0.00 C ATOM 775 CG LEU A 49 -7.735 23.692 1.188 1.00 0.00 C ATOM 776 CD1 LEU A 49 -8.475 22.816 2.187 1.00 0.00 C ATOM 777 CD2 LEU A 49 -7.984 25.165 1.480 1.00 0.00 C ATOM 0 H LEU A 49 -5.666 25.275 3.022 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.021 22.334 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.715 24.189 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.064 22.473 0.645 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.115 23.470 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.540 23.048 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.324 21.767 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.092 23.005 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.055 25.364 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.588 25.413 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.487 25.775 0.726 1.00 0.00 H new ATOM 789 N LYS A 50 -3.457 22.646 3.558 1.00 0.00 N ATOM 790 CA LYS A 50 -2.015 22.430 3.564 1.00 0.00 C ATOM 791 C LYS A 50 -1.672 21.067 4.157 1.00 0.00 C ATOM 792 O LYS A 50 -2.487 20.458 4.851 1.00 0.00 O ATOM 793 CB LYS A 50 -1.316 23.535 4.359 1.00 0.00 C ATOM 794 CG LYS A 50 -1.562 23.456 5.856 1.00 0.00 C ATOM 795 CD LYS A 50 -0.477 22.656 6.558 1.00 0.00 C ATOM 796 CE LYS A 50 0.397 23.547 7.427 1.00 0.00 C ATOM 797 NZ LYS A 50 -0.397 24.267 8.460 1.00 0.00 N ATOM 0 H LYS A 50 -3.913 22.471 4.454 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.664 22.457 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.243 23.482 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.656 24.504 3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.601 24.462 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.533 22.996 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.935 21.882 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.141 22.150 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.162 22.942 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.916 24.271 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.184 24.404 9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.691 25.193 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.240 23.708 8.702 1.00 0.00 H new ATOM 811 N VAL A 51 -0.461 20.594 3.881 1.00 0.00 N ATOM 812 CA VAL A 51 -0.009 19.305 4.390 1.00 0.00 C ATOM 813 C VAL A 51 1.485 19.326 4.692 1.00 0.00 C ATOM 814 O VAL A 51 2.271 19.913 3.948 1.00 0.00 O ATOM 815 CB VAL A 51 -0.304 18.172 3.389 1.00 0.00 C ATOM 816 CG1 VAL A 51 0.436 16.903 3.785 1.00 0.00 C ATOM 817 CG2 VAL A 51 -1.801 17.920 3.296 1.00 0.00 C ATOM 0 H VAL A 51 0.225 21.085 3.307 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.560 19.118 5.312 1.00 0.00 H new ATOM 0 HB VAL A 51 0.051 18.478 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.215 16.114 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.509 17.095 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.115 16.589 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.991 17.117 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.184 17.635 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.303 18.828 2.961 1.00 0.00 H new ATOM 827 N ASP A 52 1.870 18.681 5.788 1.00 0.00 N ATOM 828 CA ASP A 52 3.271 18.624 6.189 1.00 0.00 C ATOM 829 C ASP A 52 3.640 17.227 6.678 1.00 0.00 C ATOM 830 O ASP A 52 2.771 16.445 7.062 1.00 0.00 O ATOM 831 CB ASP A 52 3.553 19.653 7.284 1.00 0.00 C ATOM 832 CG ASP A 52 2.617 20.844 7.215 1.00 0.00 C ATOM 833 OD1 ASP A 52 1.437 20.694 7.594 1.00 0.00 O ATOM 834 OD2 ASP A 52 3.066 21.926 6.782 1.00 0.00 O ATOM 0 H ASP A 52 1.232 18.190 6.414 1.00 0.00 H new ATOM 0 HA ASP A 52 3.882 18.857 5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.458 19.176 8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.583 19.999 7.197 1.00 0.00 H new ATOM 839 N GLN A 53 4.934 16.922 6.661 1.00 0.00 N ATOM 840 CA GLN A 53 5.416 15.618 7.102 1.00 0.00 C ATOM 841 C GLN A 53 6.082 15.719 8.471 1.00 0.00 C ATOM 842 O GLN A 53 6.769 16.695 8.768 1.00 0.00 O ATOM 843 CB GLN A 53 6.402 15.045 6.083 1.00 0.00 C ATOM 844 CG GLN A 53 6.571 13.537 6.182 1.00 0.00 C ATOM 845 CD GLN A 53 7.321 12.955 5.000 1.00 0.00 C ATOM 846 OE1 GLN A 53 7.692 13.673 4.071 1.00 0.00 O ATOM 847 NE2 GLN A 53 7.550 11.648 5.030 1.00 0.00 N ATOM 0 H GLN A 53 5.666 17.559 6.347 1.00 0.00 H new ATOM 0 HA GLN A 53 4.559 14.949 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.063 15.299 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.373 15.521 6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.105 13.295 7.101 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.589 13.069 6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.224 11.091 5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.052 11.200 4.263 1.00 0.00 H new ATOM 856 N GLY A 54 5.873 14.702 9.301 1.00 0.00 N ATOM 857 CA GLY A 54 6.459 14.696 10.629 1.00 0.00 C ATOM 858 C GLY A 54 5.415 14.781 11.724 1.00 0.00 C ATOM 859 O GLY A 54 4.252 14.439 11.511 1.00 0.00 O ATOM 0 H GLY A 54 5.309 13.882 9.078 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.045 13.786 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.148 15.535 10.722 1.00 0.00 H new ATOM 863 N VAL A 55 5.830 15.238 12.901 1.00 0.00 N ATOM 864 CA VAL A 55 4.923 15.367 14.035 1.00 0.00 C ATOM 865 C VAL A 55 4.730 16.829 14.422 1.00 0.00 C ATOM 866 O VAL A 55 5.677 17.506 14.822 1.00 0.00 O ATOM 867 CB VAL A 55 5.439 14.587 15.259 1.00 0.00 C ATOM 868 CG1 VAL A 55 6.837 15.051 15.637 1.00 0.00 C ATOM 869 CG2 VAL A 55 4.482 14.742 16.431 1.00 0.00 C ATOM 0 H VAL A 55 6.789 15.525 13.094 1.00 0.00 H new ATOM 0 HA VAL A 55 3.966 14.948 13.723 1.00 0.00 H new ATOM 0 HB VAL A 55 5.491 13.530 14.999 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.185 14.489 16.504 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.515 14.884 14.800 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.815 16.114 15.879 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.862 14.185 17.287 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.396 15.796 16.694 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.501 14.356 16.153 1.00 0.00 H new ATOM 879 N PHE A 56 3.498 17.310 14.300 1.00 0.00 N ATOM 880 CA PHE A 56 3.180 18.693 14.636 1.00 0.00 C ATOM 881 C PHE A 56 3.667 19.037 16.041 1.00 0.00 C ATOM 882 O PHE A 56 3.709 18.179 16.922 1.00 0.00 O ATOM 883 CB PHE A 56 1.672 18.932 14.534 1.00 0.00 C ATOM 884 CG PHE A 56 1.307 20.372 14.312 1.00 0.00 C ATOM 885 CD1 PHE A 56 0.315 20.973 15.069 1.00 0.00 C ATOM 886 CD2 PHE A 56 1.955 21.123 13.345 1.00 0.00 C ATOM 887 CE1 PHE A 56 -0.024 22.298 14.867 1.00 0.00 C ATOM 888 CE2 PHE A 56 1.621 22.448 13.139 1.00 0.00 C ATOM 889 CZ PHE A 56 0.630 23.036 13.900 1.00 0.00 C ATOM 0 H PHE A 56 2.703 16.763 13.971 1.00 0.00 H new ATOM 0 HA PHE A 56 3.692 19.340 13.924 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.272 18.334 13.715 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.194 18.581 15.449 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.200 20.400 15.826 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.730 20.668 12.746 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.799 22.755 15.464 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.135 23.023 12.383 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.367 24.071 13.739 1.00 0.00 H new ATOM 899 N ALA A 57 4.035 20.298 16.241 1.00 0.00 N ATOM 900 CA ALA A 57 4.517 20.757 17.537 1.00 0.00 C ATOM 901 C ALA A 57 3.452 20.580 18.614 1.00 0.00 C ATOM 902 O ALA A 57 3.767 20.404 19.790 1.00 0.00 O ATOM 903 CB ALA A 57 4.950 22.213 17.454 1.00 0.00 C ATOM 0 H ALA A 57 4.008 21.020 15.521 1.00 0.00 H new ATOM 0 HA ALA A 57 5.378 20.148 17.812 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.308 22.542 18.430 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.751 22.313 16.721 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.102 22.828 17.152 1.00 0.00 H new ATOM 909 N SER A 58 2.188 20.629 18.203 1.00 0.00 N ATOM 910 CA SER A 58 1.076 20.479 19.133 1.00 0.00 C ATOM 911 C SER A 58 -0.231 20.239 18.383 1.00 0.00 C ATOM 912 O SER A 58 -1.090 21.115 18.284 1.00 0.00 O ATOM 913 CB SER A 58 0.949 21.723 20.015 1.00 0.00 C ATOM 914 OG SER A 58 0.226 21.437 21.200 1.00 0.00 O ATOM 0 H SER A 58 1.910 20.771 17.232 1.00 0.00 H new ATOM 0 HA SER A 58 1.277 19.614 19.764 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.941 22.094 20.271 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.446 22.516 19.461 1.00 0.00 H new ATOM 0 HG SER A 58 0.160 22.248 21.747 1.00 0.00 H new ATOM 920 N PRO A 59 -0.385 19.022 17.841 1.00 0.00 N ATOM 921 CA PRO A 59 -1.584 18.636 17.090 1.00 0.00 C ATOM 922 C PRO A 59 -2.810 18.500 17.986 1.00 0.00 C ATOM 923 O PRO A 59 -2.688 18.338 19.201 1.00 0.00 O ATOM 924 CB PRO A 59 -1.206 17.279 16.491 1.00 0.00 C ATOM 925 CG PRO A 59 -0.164 16.737 17.408 1.00 0.00 C ATOM 926 CD PRO A 59 0.598 17.928 17.919 1.00 0.00 C ATOM 0 HA PRO A 59 -1.857 19.384 16.346 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.069 16.616 16.437 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.823 17.387 15.476 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.617 16.182 18.229 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.497 16.047 16.883 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.947 17.774 18.940 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.478 18.134 17.309 1.00 0.00 H new ATOM 934 N ASP A 60 -3.990 18.566 17.380 1.00 0.00 N ATOM 935 CA ASP A 60 -5.239 18.448 18.123 1.00 0.00 C ATOM 936 C ASP A 60 -5.495 17.000 18.531 1.00 0.00 C ATOM 937 O ASP A 60 -5.965 16.729 19.636 1.00 0.00 O ATOM 938 CB ASP A 60 -6.408 18.969 17.285 1.00 0.00 C ATOM 939 CG ASP A 60 -7.380 19.800 18.099 1.00 0.00 C ATOM 940 OD1 ASP A 60 -7.483 19.564 19.322 1.00 0.00 O ATOM 941 OD2 ASP A 60 -8.036 20.686 17.515 1.00 0.00 O ATOM 0 H ASP A 60 -4.108 18.701 16.376 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.153 19.051 19.027 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.022 19.570 16.462 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.938 18.126 16.842 1.00 0.00 H new ATOM 946 N VAL A 61 -5.183 16.073 17.630 1.00 0.00 N ATOM 947 CA VAL A 61 -5.379 14.653 17.895 1.00 0.00 C ATOM 948 C VAL A 61 -4.302 13.814 17.217 1.00 0.00 C ATOM 949 O VAL A 61 -3.754 14.202 16.185 1.00 0.00 O ATOM 950 CB VAL A 61 -6.763 14.178 17.414 1.00 0.00 C ATOM 951 CG1 VAL A 61 -7.051 12.773 17.921 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.845 15.148 17.864 1.00 0.00 C ATOM 0 H VAL A 61 -4.794 16.281 16.710 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.313 14.520 18.975 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.761 14.152 16.324 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.033 12.454 17.571 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.292 12.088 17.545 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.035 12.769 19.011 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.816 14.797 17.515 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.850 15.208 18.952 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.645 16.135 17.447 1.00 0.00 H new ATOM 962 N THR A 62 -4.002 12.659 17.804 1.00 0.00 N ATOM 963 CA THR A 62 -2.990 11.765 17.258 1.00 0.00 C ATOM 964 C THR A 62 -3.568 10.380 16.987 1.00 0.00 C ATOM 965 O THR A 62 -3.892 9.639 17.915 1.00 0.00 O ATOM 966 CB THR A 62 -1.787 11.628 18.211 1.00 0.00 C ATOM 967 OG1 THR A 62 -1.409 12.916 18.709 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.604 10.986 17.501 1.00 0.00 C ATOM 0 H THR A 62 -4.446 12.322 18.658 1.00 0.00 H new ATOM 0 HA THR A 62 -2.653 12.206 16.320 1.00 0.00 H new ATOM 0 HB THR A 62 -2.081 10.988 19.043 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.645 12.821 19.315 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.233 10.900 18.194 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.886 9.994 17.148 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.310 11.603 16.652 1.00 0.00 H new ATOM 976 N VAL A 63 -3.695 10.037 15.709 1.00 0.00 N ATOM 977 CA VAL A 63 -4.233 8.740 15.316 1.00 0.00 C ATOM 978 C VAL A 63 -3.153 7.862 14.695 1.00 0.00 C ATOM 979 O VAL A 63 -2.280 8.348 13.973 1.00 0.00 O ATOM 980 CB VAL A 63 -5.393 8.894 14.315 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.860 9.029 12.896 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.350 7.716 14.424 1.00 0.00 C ATOM 0 H VAL A 63 -3.433 10.639 14.928 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.606 8.264 16.223 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.942 9.803 14.559 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.694 9.137 12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.218 9.907 12.831 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.286 8.140 12.637 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.164 7.841 13.710 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.815 6.791 14.207 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.758 7.671 15.434 1.00 0.00 H new ATOM 992 N THR A 64 -3.216 6.565 14.978 1.00 0.00 N ATOM 993 CA THR A 64 -2.243 5.618 14.448 1.00 0.00 C ATOM 994 C THR A 64 -2.929 4.508 13.660 1.00 0.00 C ATOM 995 O THR A 64 -3.888 3.898 14.134 1.00 0.00 O ATOM 996 CB THR A 64 -1.401 4.989 15.573 1.00 0.00 C ATOM 997 OG1 THR A 64 -0.682 6.009 16.276 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.423 3.968 15.011 1.00 0.00 C ATOM 0 H THR A 64 -3.932 6.146 15.572 1.00 0.00 H new ATOM 0 HA THR A 64 -1.586 6.179 13.783 1.00 0.00 H new ATOM 0 HB THR A 64 -2.076 4.481 16.261 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.150 5.601 16.991 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.161 3.537 15.824 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.975 3.178 14.502 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.247 4.457 14.303 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.432 4.249 12.455 1.00 0.00 N ATOM 1007 CA VAL A 65 -2.997 3.210 11.602 1.00 0.00 C ATOM 1008 C VAL A 65 -1.905 2.486 10.822 1.00 0.00 C ATOM 1009 O VAL A 65 -0.769 2.952 10.746 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.020 3.793 10.610 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -5.316 4.144 11.324 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -3.443 5.011 9.904 1.00 0.00 C ATOM 0 H VAL A 65 -1.639 4.744 12.047 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.502 2.501 12.258 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.242 3.037 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.027 4.555 10.607 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.736 3.246 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.115 4.883 12.100 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.179 5.410 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.191 5.773 10.641 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.545 4.723 9.358 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.258 1.342 10.243 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.297 0.571 9.477 1.00 0.00 C ATOM 1024 C GLY A 66 -1.282 0.957 8.011 1.00 0.00 C ATOM 1025 O GLY A 66 -2.227 1.570 7.512 1.00 0.00 O ATOM 0 H GLY A 66 -3.192 0.936 10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.302 0.715 9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.531 -0.490 9.568 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.206 0.599 7.318 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.071 0.913 5.900 1.00 0.00 C ATOM 1031 C LEU A 67 -1.272 0.402 5.111 1.00 0.00 C ATOM 1032 O LEU A 67 -1.997 1.181 4.494 1.00 0.00 O ATOM 1033 CB LEU A 67 1.216 0.302 5.343 1.00 0.00 C ATOM 1034 CG LEU A 67 2.468 0.471 6.205 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.123 -0.877 6.464 1.00 0.00 C ATOM 1036 CD2 LEU A 67 3.449 1.425 5.540 1.00 0.00 C ATOM 0 H LEU A 67 0.585 0.092 7.715 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.027 1.997 5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.050 -0.764 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.410 0.743 4.365 1.00 0.00 H new ATOM 0 HG LEU A 67 2.172 0.898 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.012 -0.737 7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.421 -1.529 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.406 -1.332 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.334 1.533 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.740 1.028 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.977 2.399 5.408 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.477 -0.911 5.140 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.592 -1.525 4.429 1.00 0.00 C ATOM 1050 C GLU A 68 -3.913 -0.864 4.813 1.00 0.00 C ATOM 1051 O GLU A 68 -4.753 -0.588 3.956 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.654 -3.025 4.729 1.00 0.00 C ATOM 1053 CG GLU A 68 -1.381 -3.771 4.366 1.00 0.00 C ATOM 1054 CD GLU A 68 -1.360 -4.219 2.918 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -2.262 -3.809 2.158 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -0.442 -4.979 2.545 1.00 0.00 O ATOM 0 H GLU A 68 -0.886 -1.569 5.648 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.431 -1.382 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.858 -3.167 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.490 -3.462 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.521 -3.129 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.278 -4.642 5.013 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.088 -0.613 6.105 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.305 0.016 6.604 1.00 0.00 C ATOM 1065 C ASP A 69 -5.513 1.384 5.960 1.00 0.00 C ATOM 1066 O ASP A 69 -6.570 1.659 5.393 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.244 0.159 8.126 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.683 -1.076 8.801 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.990 -2.196 8.341 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -3.936 -0.924 9.790 1.00 0.00 O ATOM 0 H ASP A 69 -3.402 -0.836 6.826 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.149 -0.622 6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.628 1.021 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.245 0.356 8.510 1.00 0.00 H new ATOM 1075 N MET A 70 -4.498 2.236 6.053 1.00 0.00 N ATOM 1076 CA MET A 70 -4.570 3.575 5.479 1.00 0.00 C ATOM 1077 C MET A 70 -4.693 3.510 3.960 1.00 0.00 C ATOM 1078 O MET A 70 -5.194 4.440 3.327 1.00 0.00 O ATOM 1079 CB MET A 70 -3.333 4.387 5.868 1.00 0.00 C ATOM 1080 CG MET A 70 -3.642 5.574 6.765 1.00 0.00 C ATOM 1081 SD MET A 70 -4.150 7.033 5.835 1.00 0.00 S ATOM 1082 CE MET A 70 -4.353 8.224 7.157 1.00 0.00 C ATOM 0 H MET A 70 -3.616 2.024 6.520 1.00 0.00 H new ATOM 0 HA MET A 70 -5.458 4.066 5.877 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.624 3.733 6.376 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.844 4.745 4.962 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.432 5.300 7.464 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.760 5.815 7.359 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.331 9.233 6.744 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.308 8.056 7.655 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.543 8.109 7.878 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.234 2.406 3.381 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.293 2.219 1.935 1.00 0.00 C ATOM 1094 C LEU A 71 -5.737 2.090 1.461 1.00 0.00 C ATOM 1095 O LEU A 71 -6.136 2.712 0.477 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.498 0.977 1.529 1.00 0.00 C ATOM 1097 CG LEU A 71 -2.865 1.012 0.137 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -3.889 1.434 -0.905 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -1.666 1.949 0.120 1.00 0.00 C ATOM 0 H LEU A 71 -3.817 1.627 3.890 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.852 3.096 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.707 0.820 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.159 0.112 1.584 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.520 0.008 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.420 1.453 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.716 0.724 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.266 2.428 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.228 1.961 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.987 2.956 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.923 1.602 0.838 1.00 0.00 H new ATOM 1111 N ALA A 72 -6.517 1.279 2.170 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.918 1.072 1.824 1.00 0.00 C ATOM 1113 C ALA A 72 -8.720 2.358 1.989 1.00 0.00 C ATOM 1114 O ALA A 72 -9.564 2.686 1.153 1.00 0.00 O ATOM 1115 CB ALA A 72 -8.513 -0.037 2.679 1.00 0.00 C ATOM 0 H ALA A 72 -6.202 0.755 2.987 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.969 0.776 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.560 -0.182 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.963 -0.963 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.443 0.238 3.731 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.452 3.083 3.070 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.150 4.333 3.343 1.00 0.00 C ATOM 1123 C ILE A 73 -8.654 5.450 2.430 1.00 0.00 C ATOM 1124 O ILE A 73 -9.404 5.970 1.605 1.00 0.00 O ATOM 1125 CB ILE A 73 -8.973 4.768 4.809 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.200 3.581 5.747 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -9.927 5.905 5.144 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -8.971 3.910 7.206 1.00 0.00 C ATOM 0 H ILE A 73 -7.757 2.826 3.771 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.208 4.152 3.151 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.952 5.125 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.220 3.219 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.535 2.768 5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.789 6.201 6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.721 6.756 4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.955 5.574 4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.150 3.022 7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.943 4.244 7.347 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.655 4.702 7.512 1.00 0.00 H new ATOM 1140 N SER A 74 -7.384 5.811 2.583 1.00 0.00 N ATOM 1141 CA SER A 74 -6.787 6.868 1.774 1.00 0.00 C ATOM 1142 C SER A 74 -6.922 6.555 0.287 1.00 0.00 C ATOM 1143 O SER A 74 -6.975 7.458 -0.547 1.00 0.00 O ATOM 1144 CB SER A 74 -5.312 7.045 2.137 1.00 0.00 C ATOM 1145 OG SER A 74 -4.482 6.253 1.304 1.00 0.00 O ATOM 0 H SER A 74 -6.749 5.388 3.259 1.00 0.00 H new ATOM 0 HA SER A 74 -7.319 7.796 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.034 8.094 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.155 6.769 3.180 1.00 0.00 H new ATOM 0 HG SER A 74 -4.425 5.345 1.668 1.00 0.00 H new ATOM 1151 N GLY A 75 -6.979 5.267 -0.038 1.00 0.00 N ATOM 1152 CA GLY A 75 -7.107 4.856 -1.424 1.00 0.00 C ATOM 1153 C GLY A 75 -8.529 4.978 -1.936 1.00 0.00 C ATOM 1154 O GLY A 75 -8.819 4.623 -3.078 1.00 0.00 O ATOM 0 H GLY A 75 -6.939 4.501 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.448 5.465 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.775 3.823 -1.526 1.00 0.00 H new ATOM 1158 N LYS A 76 -9.420 5.479 -1.087 1.00 0.00 N ATOM 1159 CA LYS A 76 -10.821 5.646 -1.458 1.00 0.00 C ATOM 1160 C LYS A 76 -11.481 4.295 -1.712 1.00 0.00 C ATOM 1161 O LYS A 76 -12.026 4.050 -2.789 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.938 6.525 -2.705 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.215 7.346 -2.752 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.677 7.577 -4.181 1.00 0.00 C ATOM 1165 CE LYS A 76 -12.130 8.882 -4.740 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.043 9.477 -5.755 1.00 0.00 N ATOM 0 H LYS A 76 -9.197 5.777 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.335 6.132 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.082 7.198 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.890 5.892 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.999 6.834 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.050 8.306 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.352 6.747 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.766 7.594 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.980 9.591 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.154 8.703 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.635 10.365 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.166 8.811 -6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.967 9.672 -5.319 1.00 0.00 H new ATOM 1180 N THR A 77 -11.431 3.419 -0.713 1.00 0.00 N ATOM 1181 CA THR A 77 -12.025 2.093 -0.828 1.00 0.00 C ATOM 1182 C THR A 77 -12.821 1.737 0.422 1.00 0.00 C ATOM 1183 O THR A 77 -14.025 1.483 0.353 1.00 0.00 O ATOM 1184 CB THR A 77 -10.950 1.015 -1.063 1.00 0.00 C ATOM 1185 OG1 THR A 77 -10.150 1.361 -2.199 1.00 0.00 O ATOM 1186 CG2 THR A 77 -11.590 -0.347 -1.283 1.00 0.00 C ATOM 0 H THR A 77 -10.985 3.604 0.185 1.00 0.00 H new ATOM 0 HA THR A 77 -12.696 2.120 -1.687 1.00 0.00 H new ATOM 0 HB THR A 77 -10.318 0.963 -0.176 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.468 0.672 -2.341 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.812 -1.092 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.175 -0.620 -0.405 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.242 -0.306 -2.155 1.00 0.00 H new ATOM 1194 N LEU A 78 -12.144 1.720 1.565 1.00 0.00 N ATOM 1195 CA LEU A 78 -12.789 1.395 2.832 1.00 0.00 C ATOM 1196 C LEU A 78 -13.343 2.650 3.499 1.00 0.00 C ATOM 1197 O LEU A 78 -13.059 3.771 3.073 1.00 0.00 O ATOM 1198 CB LEU A 78 -11.797 0.703 3.769 1.00 0.00 C ATOM 1199 CG LEU A 78 -11.974 -0.807 3.935 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -10.767 -1.411 4.636 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -13.249 -1.113 4.707 1.00 0.00 C ATOM 0 H LEU A 78 -11.148 1.928 1.640 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.618 0.719 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.788 0.892 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.871 1.168 4.752 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.056 -1.255 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.910 -2.486 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.871 -1.223 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.654 -0.958 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.359 -2.192 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.196 -0.653 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.107 -0.714 4.166 1.00 0.00 H new ATOM 1213 N THR A 79 -14.135 2.456 4.548 1.00 0.00 N ATOM 1214 CA THR A 79 -14.729 3.572 5.274 1.00 0.00 C ATOM 1215 C THR A 79 -14.270 3.589 6.728 1.00 0.00 C ATOM 1216 O THR A 79 -13.956 2.546 7.302 1.00 0.00 O ATOM 1217 CB THR A 79 -16.268 3.512 5.235 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.735 2.393 5.996 1.00 0.00 O ATOM 1219 CG2 THR A 79 -16.769 3.402 3.803 1.00 0.00 C ATOM 0 H THR A 79 -14.380 1.536 4.914 1.00 0.00 H new ATOM 0 HA THR A 79 -14.395 4.484 4.779 1.00 0.00 H new ATOM 0 HB THR A 79 -16.656 4.433 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.714 2.364 5.967 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.858 3.361 3.801 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.437 4.270 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.371 2.496 3.347 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.233 4.779 7.318 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.813 4.932 8.706 1.00 0.00 C ATOM 1229 C VAL A 80 -14.541 3.944 9.612 1.00 0.00 C ATOM 1230 O VAL A 80 -13.932 3.311 10.473 1.00 0.00 O ATOM 1231 CB VAL A 80 -14.068 6.363 9.216 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.842 6.443 10.718 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -13.180 7.355 8.481 1.00 0.00 C ATOM 0 H VAL A 80 -14.489 5.652 6.856 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.742 4.729 8.737 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.108 6.622 9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.027 7.461 11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.524 5.760 11.225 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.813 6.165 10.946 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.373 8.361 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.134 7.100 8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.396 7.316 7.413 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.849 3.817 9.410 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.639 2.905 10.216 1.00 0.00 C ATOM 1245 C GLY A 81 -16.113 1.484 10.167 1.00 0.00 C ATOM 1246 O GLY A 81 -16.065 0.797 11.187 1.00 0.00 O ATOM 0 H GLY A 81 -16.375 4.330 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.646 3.251 11.250 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.672 2.919 9.868 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.719 1.042 8.977 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.194 -0.307 8.799 1.00 0.00 C ATOM 1252 C ASP A 82 -13.902 -0.496 9.587 1.00 0.00 C ATOM 1253 O ASP A 82 -13.785 -1.417 10.395 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.948 -0.590 7.316 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.793 -1.737 6.797 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -17.036 -1.645 6.881 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -15.211 -2.727 6.307 1.00 0.00 O ATOM 0 H ASP A 82 -15.753 1.598 8.122 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.935 -1.011 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.165 0.308 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.894 -0.821 7.163 1.00 0.00 H new ATOM 1262 N ALA A 83 -12.934 0.381 9.345 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.650 0.312 10.032 1.00 0.00 C ATOM 1264 C ALA A 83 -11.831 0.411 11.543 1.00 0.00 C ATOM 1265 O ALA A 83 -11.091 -0.208 12.309 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.725 1.413 9.536 1.00 0.00 C ATOM 0 H ALA A 83 -13.014 1.148 8.678 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.198 -0.654 9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.770 1.349 10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.561 1.296 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.180 2.385 9.729 1.00 0.00 H new ATOM 1272 N LEU A 84 -12.817 1.193 11.966 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.094 1.374 13.387 1.00 0.00 C ATOM 1274 C LEU A 84 -13.587 0.075 14.016 1.00 0.00 C ATOM 1275 O LEU A 84 -13.145 -0.311 15.098 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.135 2.477 13.587 1.00 0.00 C ATOM 1277 CG LEU A 84 -13.986 3.319 14.855 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -12.765 4.220 14.757 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.241 4.143 15.099 1.00 0.00 C ATOM 0 H LEU A 84 -13.438 1.712 11.346 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.166 1.665 13.878 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.098 3.144 12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.124 2.019 13.593 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.848 2.646 15.701 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.675 4.812 15.668 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.871 3.609 14.631 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.872 4.886 13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.117 4.736 16.005 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.411 4.807 14.252 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.096 3.477 15.215 1.00 0.00 H new ATOM 1291 N LYS A 85 -14.504 -0.598 13.329 1.00 0.00 N ATOM 1292 CA LYS A 85 -15.055 -1.857 13.817 1.00 0.00 C ATOM 1293 C LYS A 85 -13.961 -2.911 13.957 1.00 0.00 C ATOM 1294 O LYS A 85 -14.004 -3.745 14.861 1.00 0.00 O ATOM 1295 CB LYS A 85 -16.145 -2.362 12.869 1.00 0.00 C ATOM 1296 CG LYS A 85 -16.555 -3.802 13.125 1.00 0.00 C ATOM 1297 CD LYS A 85 -18.049 -4.000 12.929 1.00 0.00 C ATOM 1298 CE LYS A 85 -18.558 -5.204 13.706 1.00 0.00 C ATOM 1299 NZ LYS A 85 -18.583 -4.948 15.173 1.00 0.00 N ATOM 0 H LYS A 85 -14.881 -0.292 12.432 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.491 -1.677 14.800 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.022 -1.721 12.963 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.792 -2.271 11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.008 -4.462 12.452 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.280 -4.084 14.141 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.581 -3.105 13.252 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -18.264 -4.133 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.561 -5.459 13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.923 -6.065 13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.189 -5.654 15.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -17.618 -5.015 15.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.960 -3.996 15.353 1.00 0.00 H new ATOM 1313 N GLN A 86 -12.983 -2.866 13.059 1.00 0.00 N ATOM 1314 CA GLN A 86 -11.878 -3.818 13.085 1.00 0.00 C ATOM 1315 C GLN A 86 -10.902 -3.489 14.210 1.00 0.00 C ATOM 1316 O GLN A 86 -10.376 -4.383 14.870 1.00 0.00 O ATOM 1317 CB GLN A 86 -11.146 -3.818 11.742 1.00 0.00 C ATOM 1318 CG GLN A 86 -12.032 -4.194 10.565 1.00 0.00 C ATOM 1319 CD GLN A 86 -11.267 -4.269 9.259 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -10.048 -4.441 9.249 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -11.980 -4.139 8.146 1.00 0.00 N ATOM 0 H GLN A 86 -12.933 -2.181 12.305 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.291 -4.811 13.266 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.725 -2.828 11.567 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.310 -4.515 11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.502 -5.158 10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.834 -3.462 10.470 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.989 -3.998 8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.519 -4.180 7.237 1.00 0.00 H new ATOM 1330 N GLY A 87 -10.666 -2.198 14.422 1.00 0.00 N ATOM 1331 CA GLY A 87 -9.753 -1.773 15.468 1.00 0.00 C ATOM 1332 C GLY A 87 -8.365 -1.471 14.938 1.00 0.00 C ATOM 1333 O GLY A 87 -7.385 -1.513 15.683 1.00 0.00 O ATOM 0 H GLY A 87 -11.090 -1.439 13.889 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.153 -0.885 15.957 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.687 -2.552 16.227 1.00 0.00 H new ATOM 1337 N LYS A 88 -8.279 -1.168 13.648 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.001 -0.857 13.018 1.00 0.00 C ATOM 1339 C LYS A 88 -6.567 0.569 13.341 1.00 0.00 C ATOM 1340 O LYS A 88 -5.375 0.851 13.466 1.00 0.00 O ATOM 1341 CB LYS A 88 -7.099 -1.041 11.501 1.00 0.00 C ATOM 1342 CG LYS A 88 -7.802 -2.322 11.088 1.00 0.00 C ATOM 1343 CD LYS A 88 -7.173 -3.540 11.743 1.00 0.00 C ATOM 1344 CE LYS A 88 -6.960 -4.665 10.741 1.00 0.00 C ATOM 1345 NZ LYS A 88 -5.688 -5.397 10.992 1.00 0.00 N ATOM 0 H LYS A 88 -9.080 -1.131 13.017 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.253 -1.544 13.414 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.631 -0.191 11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.095 -1.035 11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.856 -2.264 11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.759 -2.428 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.218 -3.262 12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.813 -3.890 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.797 -5.362 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.950 -4.255 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.579 -6.155 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.887 -4.738 10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.708 -5.810 11.946 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.541 1.462 13.476 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.258 2.858 13.788 1.00 0.00 C ATOM 1361 C ILE A 89 -7.223 3.089 15.295 1.00 0.00 C ATOM 1362 O ILE A 89 -8.225 2.903 15.984 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.304 3.798 13.160 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.743 3.268 11.794 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.743 5.206 13.033 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -9.743 4.161 11.092 1.00 0.00 C ATOM 0 H ILE A 89 -8.532 1.245 13.374 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.279 3.083 13.366 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.177 3.834 13.812 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.865 3.151 11.159 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.179 2.277 11.921 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.494 5.858 12.588 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.476 5.582 14.021 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.856 5.189 12.400 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.009 3.723 10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.638 4.258 11.706 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.303 5.146 10.933 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.062 3.496 15.799 1.00 0.00 N ATOM 1379 CA GLU A 90 -5.898 3.754 17.225 1.00 0.00 C ATOM 1380 C GLU A 90 -6.154 5.223 17.546 1.00 0.00 C ATOM 1381 O GLU A 90 -5.829 6.109 16.754 1.00 0.00 O ATOM 1382 CB GLU A 90 -4.490 3.360 17.677 1.00 0.00 C ATOM 1383 CG GLU A 90 -4.295 1.860 17.825 1.00 0.00 C ATOM 1384 CD GLU A 90 -2.843 1.445 17.696 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -2.160 1.955 16.783 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -2.389 0.610 18.507 1.00 0.00 O ATOM 0 H GLU A 90 -5.222 3.654 15.242 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.628 3.150 17.764 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.766 3.743 16.957 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.276 3.842 18.631 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.675 1.542 18.796 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.885 1.344 17.067 1.00 0.00 H new ATOM 1393 N LEU A 91 -6.741 5.474 18.711 1.00 0.00 N ATOM 1394 CA LEU A 91 -7.043 6.836 19.138 1.00 0.00 C ATOM 1395 C LEU A 91 -6.132 7.262 20.285 1.00 0.00 C ATOM 1396 O LEU A 91 -5.666 6.429 21.063 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.507 6.944 19.567 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.476 7.488 18.516 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -10.914 7.202 18.918 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -9.263 8.981 18.315 1.00 0.00 C ATOM 0 H LEU A 91 -7.017 4.752 19.377 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.868 7.502 18.293 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.850 5.955 19.871 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.561 7.584 20.448 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.277 6.983 17.571 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.589 7.596 18.159 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.059 6.126 19.009 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.126 7.679 19.875 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.961 9.350 17.564 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.434 9.503 19.257 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.241 9.161 17.980 1.00 0.00 H new ATOM 1412 N SER A 92 -5.884 8.564 20.385 1.00 0.00 N ATOM 1413 CA SER A 92 -5.027 9.100 21.437 1.00 0.00 C ATOM 1414 C SER A 92 -5.039 10.625 21.422 1.00 0.00 C ATOM 1415 O SER A 92 -4.740 11.250 20.405 1.00 0.00 O ATOM 1416 CB SER A 92 -3.595 8.588 21.268 1.00 0.00 C ATOM 1417 OG SER A 92 -2.747 9.107 22.277 1.00 0.00 O ATOM 0 H SER A 92 -6.264 9.267 19.751 1.00 0.00 H new ATOM 0 HA SER A 92 -5.416 8.760 22.397 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.588 7.499 21.307 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.216 8.874 20.287 1.00 0.00 H new ATOM 0 HG SER A 92 -1.838 8.764 22.149 1.00 0.00 H new ATOM 1423 N GLY A 93 -5.388 11.220 22.559 1.00 0.00 N ATOM 1424 CA GLY A 93 -5.433 12.667 22.656 1.00 0.00 C ATOM 1425 C GLY A 93 -6.842 13.191 22.851 1.00 0.00 C ATOM 1426 O GLY A 93 -7.469 12.938 23.881 1.00 0.00 O ATOM 0 H GLY A 93 -5.640 10.725 23.415 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.809 12.992 23.489 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.009 13.102 21.751 1.00 0.00 H new ATOM 1430 N ASP A 94 -7.341 13.925 21.862 1.00 0.00 N ATOM 1431 CA ASP A 94 -8.685 14.487 21.930 1.00 0.00 C ATOM 1432 C ASP A 94 -9.666 13.650 21.114 1.00 0.00 C ATOM 1433 O ASP A 94 -10.096 14.057 20.035 1.00 0.00 O ATOM 1434 CB ASP A 94 -8.683 15.930 21.425 1.00 0.00 C ATOM 1435 CG ASP A 94 -8.553 16.938 22.550 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -9.367 16.880 23.496 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -7.637 17.784 22.486 1.00 0.00 O ATOM 0 H ASP A 94 -6.835 14.145 21.004 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.005 14.476 22.972 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.860 16.065 20.723 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.605 16.121 20.875 1.00 0.00 H new ATOM 1442 N ALA A 95 -10.015 12.479 21.637 1.00 0.00 N ATOM 1443 CA ALA A 95 -10.945 11.586 20.958 1.00 0.00 C ATOM 1444 C ALA A 95 -12.147 12.353 20.418 1.00 0.00 C ATOM 1445 O ALA A 95 -12.668 12.037 19.349 1.00 0.00 O ATOM 1446 CB ALA A 95 -11.401 10.483 21.901 1.00 0.00 C ATOM 0 H ALA A 95 -9.667 12.127 22.529 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.425 11.135 20.113 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.095 9.823 21.381 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.536 9.909 22.235 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.898 10.925 22.764 1.00 0.00 H new ATOM 1452 N ASP A 96 -12.583 13.362 21.165 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.724 14.175 20.760 1.00 0.00 C ATOM 1454 C ASP A 96 -13.545 14.693 19.337 1.00 0.00 C ATOM 1455 O ASP A 96 -14.456 14.602 18.512 1.00 0.00 O ATOM 1456 CB ASP A 96 -13.909 15.348 21.724 1.00 0.00 C ATOM 1457 CG ASP A 96 -15.343 15.489 22.196 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -16.025 16.434 21.748 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -15.783 14.654 23.013 1.00 0.00 O ATOM 0 H ASP A 96 -12.164 13.636 22.054 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.615 13.547 20.789 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.257 15.212 22.587 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.599 16.270 21.233 1.00 0.00 H new ATOM 1464 N LEU A 97 -12.367 15.239 19.055 1.00 0.00 N ATOM 1465 CA LEU A 97 -12.068 15.773 17.731 1.00 0.00 C ATOM 1466 C LEU A 97 -12.096 14.669 16.679 1.00 0.00 C ATOM 1467 O LEU A 97 -12.870 14.728 15.724 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.700 16.458 17.733 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.713 17.984 17.826 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -10.144 18.442 19.160 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.931 18.595 16.673 1.00 0.00 C ATOM 0 H LEU A 97 -11.603 15.323 19.726 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.834 16.507 17.481 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.122 16.068 18.571 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.173 16.174 16.822 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.746 18.324 17.759 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.161 19.531 19.208 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.746 18.033 19.972 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.117 18.091 19.257 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.951 19.682 16.755 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.899 18.247 16.709 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.382 18.294 15.727 1.00 0.00 H new ATOM 1483 N ALA A 98 -11.248 13.663 16.863 1.00 0.00 N ATOM 1484 CA ALA A 98 -11.179 12.543 15.932 1.00 0.00 C ATOM 1485 C ALA A 98 -12.551 11.911 15.730 1.00 0.00 C ATOM 1486 O ALA A 98 -12.828 11.326 14.684 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.185 11.504 16.430 1.00 0.00 C ATOM 0 H ALA A 98 -10.599 13.600 17.648 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.839 12.924 14.969 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.143 10.673 15.726 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.197 11.957 16.516 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.501 11.136 17.406 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.407 12.031 16.740 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.752 11.473 16.672 1.00 0.00 C ATOM 1495 C ALA A 99 -15.546 12.089 15.526 1.00 0.00 C ATOM 1496 O ALA A 99 -16.413 11.442 14.938 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.478 11.683 17.993 1.00 0.00 C ATOM 0 H ALA A 99 -13.193 12.510 17.615 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.665 10.403 16.484 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.481 11.261 17.928 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.928 11.188 18.793 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.546 12.750 18.205 1.00 0.00 H new ATOM 1503 N LYS A 100 -15.246 13.345 15.213 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.930 14.051 14.136 1.00 0.00 C ATOM 1505 C LYS A 100 -15.907 13.232 12.849 1.00 0.00 C ATOM 1506 O LYS A 100 -16.812 13.336 12.019 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.279 15.415 13.897 1.00 0.00 C ATOM 1508 CG LYS A 100 -15.815 16.511 14.802 1.00 0.00 C ATOM 1509 CD LYS A 100 -15.050 16.575 16.113 1.00 0.00 C ATOM 1510 CE LYS A 100 -15.809 17.372 17.163 1.00 0.00 C ATOM 1511 NZ LYS A 100 -15.560 18.834 17.037 1.00 0.00 N ATOM 0 H LYS A 100 -14.533 13.896 15.691 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.968 14.199 14.434 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.203 15.326 14.046 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.434 15.705 12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.746 17.472 14.292 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.871 16.333 15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.871 15.565 16.481 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.074 17.030 15.944 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.877 17.176 17.066 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.513 17.038 18.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.095 19.342 17.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.544 19.025 17.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.866 19.159 16.098 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.869 12.419 12.689 1.00 0.00 N ATOM 1526 CA LEU A 101 -14.730 11.581 11.502 1.00 0.00 C ATOM 1527 C LEU A 101 -15.585 10.324 11.620 1.00 0.00 C ATOM 1528 O LEU A 101 -16.128 9.836 10.629 1.00 0.00 O ATOM 1529 CB LEU A 101 -13.264 11.197 11.295 1.00 0.00 C ATOM 1530 CG LEU A 101 -12.856 10.853 9.862 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -12.591 12.120 9.064 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -11.630 9.952 9.858 1.00 0.00 C ATOM 0 H LEU A 101 -14.112 12.322 13.365 1.00 0.00 H new ATOM 0 HA LEU A 101 -15.075 12.153 10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.641 12.022 11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.040 10.340 11.931 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.678 10.316 9.390 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.302 11.856 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.495 12.729 9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.786 12.685 9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.354 9.718 8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.801 10.463 10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.855 9.029 10.393 1.00 0.00 H new ATOM 1544 N ALA A 102 -15.702 9.806 12.838 1.00 0.00 N ATOM 1545 CA ALA A 102 -16.495 8.608 13.086 1.00 0.00 C ATOM 1546 C ALA A 102 -17.987 8.923 13.067 1.00 0.00 C ATOM 1547 O ALA A 102 -18.803 8.080 12.699 1.00 0.00 O ATOM 1548 CB ALA A 102 -16.103 7.982 14.416 1.00 0.00 C ATOM 0 H ALA A 102 -15.258 10.197 13.669 1.00 0.00 H new ATOM 0 HA ALA A 102 -16.291 7.895 12.287 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.703 7.088 14.588 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.047 7.712 14.394 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -16.278 8.697 15.220 1.00 0.00 H new