USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 730 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 0.524 (180deg=-0.257!) USER MOD Single : A 14 ASN : amide:sc= 1.15 K(o=1.2,f=-0.003) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0475) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -116:sc= 1.23 (180deg=-0.155) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0.112 (180deg=0.0407) USER MOD Single : A 29 SER OG : rot -37:sc= 0.0455 USER MOD Single : A 36 TYR OH : rot -108:sc= 0.447 USER MOD Single : A 46 SER OG : rot 26:sc= 0.897 USER MOD Single : A 47 MET CE :methyl 173:sc= -0.856 (180deg=-0.886) USER MOD Single : A 53 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= -0.0227 (180deg=-0.219) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -170:sc= 1.19 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 64 TYR OH : rot 92:sc= 0.0107 USER MOD Single : A 69 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 76 MET CE :methyl 140:sc= -1.24 (180deg=-1.55) USER MOD Single : A 79 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.41) USER MOD Single : A 81 MET CE :methyl -149:sc= -0.0337 (180deg=-0.231) USER MOD Single : A 84 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.6!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 90 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.66) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.692 12.305 5.398 1.00 1.00 N ATOM 2 CA MET A 1 -9.380 12.971 5.395 1.00 1.00 C ATOM 3 C MET A 1 -8.819 13.065 3.968 1.00 1.00 C ATOM 4 O MET A 1 -7.607 12.985 3.769 1.00 1.00 O ATOM 5 CB MET A 1 -8.440 12.273 6.396 1.00 1.00 C ATOM 6 CG MET A 1 -7.233 13.130 6.801 1.00 1.00 C ATOM 7 SD MET A 1 -6.323 12.579 8.274 1.00 1.00 S ATOM 8 CE MET A 1 -5.774 10.923 7.774 1.00 1.00 C ATOM 0 H1 MET A 1 -11.253 12.648 6.204 1.00 1.00 H new ATOM 0 H2 MET A 1 -11.192 12.519 4.512 1.00 1.00 H new ATOM 0 H3 MET A 1 -10.559 11.277 5.481 1.00 1.00 H new ATOM 0 HA MET A 1 -9.482 14.002 5.733 1.00 1.00 H new ATOM 0 HB2 MET A 1 -9.005 12.010 7.290 1.00 1.00 H new ATOM 0 HB3 MET A 1 -8.083 11.341 5.958 1.00 1.00 H new ATOM 0 HG2 MET A 1 -6.539 13.164 5.961 1.00 1.00 H new ATOM 0 HG3 MET A 1 -7.578 14.150 6.972 1.00 1.00 H new ATOM 0 HE1 MET A 1 -5.203 10.469 8.584 1.00 1.00 H new ATOM 0 HE2 MET A 1 -6.643 10.304 7.551 1.00 1.00 H new ATOM 0 HE3 MET A 1 -5.146 11.000 6.887 1.00 1.00 H new ATOM 20 N GLY A 2 -9.657 13.298 2.954 1.00 1.00 N ATOM 21 CA GLY A 2 -9.269 13.175 1.555 1.00 1.00 C ATOM 22 C GLY A 2 -9.468 11.727 1.133 1.00 1.00 C ATOM 23 O GLY A 2 -8.846 10.827 1.699 1.00 1.00 O ATOM 0 H GLY A 2 -10.629 13.579 3.086 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -9.871 13.838 0.934 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -8.228 13.470 1.422 1.00 1.00 H new ATOM 27 N ARG A 3 -10.350 11.489 0.160 1.00 1.00 N ATOM 28 CA ARG A 3 -10.736 10.145 -0.280 1.00 1.00 C ATOM 29 C ARG A 3 -9.555 9.272 -0.685 1.00 1.00 C ATOM 30 O ARG A 3 -9.635 8.075 -0.459 1.00 1.00 O ATOM 31 CB ARG A 3 -11.774 10.189 -1.411 1.00 1.00 C ATOM 32 CG ARG A 3 -12.954 11.155 -1.208 1.00 1.00 C ATOM 33 CD ARG A 3 -13.757 10.840 0.058 1.00 1.00 C ATOM 34 NE ARG A 3 -14.808 11.841 0.288 1.00 1.00 N ATOM 35 CZ ARG A 3 -15.683 11.843 1.300 1.00 1.00 C ATOM 36 NH1 ARG A 3 -15.681 10.887 2.222 1.00 1.00 N ATOM 37 NH2 ARG A 3 -16.572 12.827 1.367 1.00 1.00 N ATOM 0 H ARG A 3 -10.823 12.234 -0.352 1.00 1.00 H new ATOM 0 HA ARG A 3 -11.188 9.680 0.596 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -11.263 10.460 -2.335 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -12.173 9.184 -1.550 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.578 12.176 -1.151 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -13.613 11.106 -2.075 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -14.207 9.851 -0.031 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -13.087 10.809 0.917 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.877 12.604 -0.385 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -15.002 10.128 2.168 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -16.359 10.912 2.984 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -16.577 13.559 0.657 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -17.250 12.851 2.129 1.00 1.00 H new ATOM 51 N ALA A 4 -8.465 9.816 -1.230 1.00 1.00 N ATOM 52 CA ALA A 4 -7.267 9.044 -1.546 1.00 1.00 C ATOM 53 C ALA A 4 -6.694 8.425 -0.276 1.00 1.00 C ATOM 54 O ALA A 4 -6.504 7.211 -0.195 1.00 1.00 O ATOM 55 CB ALA A 4 -6.225 9.944 -2.232 1.00 1.00 C ATOM 0 H ALA A 4 -8.391 10.806 -1.464 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.531 8.239 -2.232 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.335 9.359 -2.464 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.644 10.348 -3.154 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.957 10.764 -1.565 1.00 1.00 H new ATOM 61 N ARG A 5 -6.427 9.271 0.720 1.00 1.00 N ATOM 62 CA ARG A 5 -5.884 8.842 2.001 1.00 1.00 C ATOM 63 C ARG A 5 -6.858 7.861 2.627 1.00 1.00 C ATOM 64 O ARG A 5 -6.456 6.770 3.011 1.00 1.00 O ATOM 65 CB ARG A 5 -5.635 10.031 2.943 1.00 1.00 C ATOM 66 CG ARG A 5 -5.016 11.251 2.245 1.00 1.00 C ATOM 67 CD ARG A 5 -4.618 12.306 3.291 1.00 1.00 C ATOM 68 NE ARG A 5 -3.283 12.082 3.871 1.00 1.00 N ATOM 69 CZ ARG A 5 -2.170 12.762 3.573 1.00 1.00 C ATOM 70 NH1 ARG A 5 -2.147 13.728 2.662 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.044 12.458 4.197 1.00 1.00 N ATOM 0 H ARG A 5 -6.584 10.277 0.656 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.918 8.364 1.836 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.580 10.325 3.400 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -4.976 9.712 3.750 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.141 10.947 1.671 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.728 11.677 1.539 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -4.644 13.293 2.829 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -5.358 12.310 4.092 1.00 1.00 H new ATOM 0 HE ARG A 5 -3.199 11.339 4.565 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.999 13.976 2.160 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -1.277 14.222 2.465 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -1.032 11.714 4.895 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -0.187 12.968 3.980 1.00 1.00 H new ATOM 85 N ASP A 6 -8.141 8.225 2.655 1.00 1.00 N ATOM 86 CA ASP A 6 -9.176 7.435 3.291 1.00 1.00 C ATOM 87 C ASP A 6 -9.268 6.071 2.643 1.00 1.00 C ATOM 88 O ASP A 6 -9.489 5.093 3.334 1.00 1.00 O ATOM 89 CB ASP A 6 -10.542 8.110 3.169 1.00 1.00 C ATOM 90 CG ASP A 6 -10.660 9.439 3.896 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.050 9.628 4.973 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.454 10.294 3.447 1.00 1.00 O ATOM 0 H ASP A 6 -8.486 9.086 2.231 1.00 1.00 H new ATOM 0 HA ASP A 6 -8.909 7.340 4.344 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.761 8.268 2.113 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.303 7.432 3.554 1.00 1.00 H new ATOM 97 N ALA A 7 -9.134 5.986 1.322 1.00 1.00 N ATOM 98 CA ALA A 7 -9.240 4.745 0.586 1.00 1.00 C ATOM 99 C ALA A 7 -8.047 3.839 0.854 1.00 1.00 C ATOM 100 O ALA A 7 -8.241 2.630 0.997 1.00 1.00 O ATOM 101 CB ALA A 7 -9.387 5.074 -0.900 1.00 1.00 C ATOM 0 H ALA A 7 -8.946 6.795 0.730 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.119 4.193 0.918 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.468 4.149 -1.471 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.284 5.675 -1.053 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.514 5.633 -1.237 1.00 1.00 H new ATOM 107 N ILE A 8 -6.833 4.394 0.918 1.00 1.00 N ATOM 108 CA ILE A 8 -5.653 3.616 1.281 1.00 1.00 C ATOM 109 C ILE A 8 -5.862 3.109 2.709 1.00 1.00 C ATOM 110 O ILE A 8 -5.770 1.911 2.947 1.00 1.00 O ATOM 111 CB ILE A 8 -4.359 4.462 1.177 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.114 4.974 -0.259 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.108 3.701 1.652 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.259 6.246 -0.271 1.00 1.00 C ATOM 0 H ILE A 8 -6.646 5.377 0.723 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.530 2.781 0.591 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.522 5.311 1.841 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.619 4.198 -0.842 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.071 5.174 -0.742 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.233 4.344 1.556 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.233 3.411 2.695 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -2.971 2.808 1.041 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.109 6.574 -1.300 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.766 7.031 0.290 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.292 6.039 0.188 1.00 1.00 H new ATOM 126 N LEU A 9 -6.196 3.996 3.645 1.00 1.00 N ATOM 127 CA LEU A 9 -6.303 3.665 5.057 1.00 1.00 C ATOM 128 C LEU A 9 -7.422 2.644 5.259 1.00 1.00 C ATOM 129 O LEU A 9 -7.209 1.643 5.937 1.00 1.00 O ATOM 130 CB LEU A 9 -6.529 4.973 5.831 1.00 1.00 C ATOM 131 CG LEU A 9 -6.156 4.956 7.310 1.00 1.00 C ATOM 132 CD1 LEU A 9 -6.321 6.367 7.874 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.934 3.972 8.141 1.00 1.00 C ATOM 0 H LEU A 9 -6.401 4.973 3.438 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.392 3.201 5.436 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -5.957 5.762 5.343 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -7.582 5.243 5.747 1.00 1.00 H new ATOM 0 HG LEU A 9 -5.120 4.622 7.368 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -6.057 6.369 8.932 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -5.667 7.053 7.336 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -7.357 6.687 7.758 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.603 4.029 9.178 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -7.996 4.209 8.086 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -6.767 2.964 7.762 1.00 1.00 H new ATOM 145 N ASP A 10 -8.579 2.843 4.620 1.00 1.00 N ATOM 146 CA ASP A 10 -9.714 1.927 4.681 1.00 1.00 C ATOM 147 C ASP A 10 -9.277 0.560 4.164 1.00 1.00 C ATOM 148 O ASP A 10 -9.621 -0.456 4.770 1.00 1.00 O ATOM 149 CB ASP A 10 -10.907 2.424 3.840 1.00 1.00 C ATOM 150 CG ASP A 10 -11.797 3.503 4.479 1.00 1.00 C ATOM 151 OD1 ASP A 10 -11.737 3.736 5.710 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.668 4.041 3.747 1.00 1.00 O ATOM 0 H ASP A 10 -8.753 3.661 4.036 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.040 1.867 5.720 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.521 2.814 2.898 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.533 1.566 3.597 1.00 1.00 H new ATOM 157 N ALA A 11 -8.509 0.512 3.069 1.00 1.00 N ATOM 158 CA ALA A 11 -7.976 -0.730 2.536 1.00 1.00 C ATOM 159 C ALA A 11 -7.057 -1.397 3.557 1.00 1.00 C ATOM 160 O ALA A 11 -7.301 -2.546 3.908 1.00 1.00 O ATOM 161 CB ALA A 11 -7.270 -0.507 1.194 1.00 1.00 C ATOM 0 H ALA A 11 -8.244 1.338 2.533 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.810 -1.406 2.344 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.883 -1.457 0.824 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.979 -0.098 0.474 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.445 0.193 1.329 1.00 1.00 H new ATOM 167 N LEU A 12 -6.028 -0.693 4.043 1.00 1.00 N ATOM 168 CA LEU A 12 -5.115 -1.168 5.083 1.00 1.00 C ATOM 169 C LEU A 12 -5.843 -1.723 6.310 1.00 1.00 C ATOM 170 O LEU A 12 -5.447 -2.758 6.839 1.00 1.00 O ATOM 171 CB LEU A 12 -4.092 -0.108 5.505 1.00 1.00 C ATOM 172 CG LEU A 12 -2.834 0.099 4.673 1.00 1.00 C ATOM 173 CD1 LEU A 12 -1.840 -1.044 4.933 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.102 0.225 3.192 1.00 1.00 C ATOM 0 H LEU A 12 -5.804 0.246 3.714 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.571 -1.992 4.622 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.613 0.848 5.550 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.775 -0.347 6.520 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.407 1.051 4.990 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -0.943 -0.889 4.334 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.573 -1.061 5.990 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.299 -1.994 4.660 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.160 0.370 2.663 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.585 -0.683 2.831 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.755 1.079 3.012 1.00 1.00 H new ATOM 186 N GLU A 13 -6.889 -1.047 6.773 1.00 1.00 N ATOM 187 CA GLU A 13 -7.720 -1.482 7.890 1.00 1.00 C ATOM 188 C GLU A 13 -8.442 -2.785 7.541 1.00 1.00 C ATOM 189 O GLU A 13 -8.482 -3.709 8.359 1.00 1.00 O ATOM 190 CB GLU A 13 -8.719 -0.375 8.247 1.00 1.00 C ATOM 191 CG GLU A 13 -8.038 0.790 8.972 1.00 1.00 C ATOM 192 CD GLU A 13 -8.127 0.647 10.486 1.00 1.00 C ATOM 193 OE1 GLU A 13 -7.358 -0.141 11.084 1.00 1.00 O ATOM 194 OE2 GLU A 13 -8.994 1.329 11.091 1.00 1.00 O ATOM 0 H GLU A 13 -7.190 -0.159 6.372 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.089 -1.674 8.758 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.197 -0.009 7.338 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.507 -0.786 8.878 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -6.991 0.841 8.673 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -8.503 1.728 8.668 1.00 1.00 H new ATOM 201 N ASN A 14 -8.995 -2.874 6.330 1.00 1.00 N ATOM 202 CA ASN A 14 -9.662 -4.058 5.817 1.00 1.00 C ATOM 203 C ASN A 14 -8.693 -5.211 5.525 1.00 1.00 C ATOM 204 O ASN A 14 -9.155 -6.329 5.280 1.00 1.00 O ATOM 205 CB ASN A 14 -10.535 -3.690 4.609 1.00 1.00 C ATOM 206 CG ASN A 14 -11.881 -3.113 5.032 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.863 -3.837 5.124 1.00 1.00 O ATOM 208 ND2 ASN A 14 -11.966 -1.837 5.357 1.00 1.00 N ATOM 0 H ASN A 14 -8.988 -2.100 5.666 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.317 -4.439 6.600 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.008 -2.965 3.989 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.697 -4.576 3.995 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -12.852 -1.452 5.686 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.146 -1.235 5.280 1.00 1.00 H new ATOM 215 N LEU A 15 -7.373 -4.999 5.523 1.00 1.00 N ATOM 216 CA LEU A 15 -6.403 -6.066 5.378 1.00 1.00 C ATOM 217 C LEU A 15 -6.212 -6.637 6.785 1.00 1.00 C ATOM 218 O LEU A 15 -6.337 -5.921 7.783 1.00 1.00 O ATOM 219 CB LEU A 15 -5.069 -5.521 4.846 1.00 1.00 C ATOM 220 CG LEU A 15 -5.042 -5.028 3.388 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.628 -4.594 2.994 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.533 -6.082 2.398 1.00 1.00 C ATOM 0 H LEU A 15 -6.955 -4.074 5.623 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.744 -6.821 4.670 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.761 -4.695 5.488 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.318 -6.304 4.952 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.725 -4.180 3.340 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.628 -4.249 1.960 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.301 -3.785 3.647 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -2.947 -5.439 3.094 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.492 -5.678 1.386 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -4.898 -6.965 2.462 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.561 -6.356 2.638 1.00 1.00 H new ATOM 234 N THR A 16 -5.888 -7.919 6.887 1.00 1.00 N ATOM 235 CA THR A 16 -5.740 -8.599 8.168 1.00 1.00 C ATOM 236 C THR A 16 -4.272 -8.544 8.577 1.00 1.00 C ATOM 237 O THR A 16 -3.435 -8.117 7.788 1.00 1.00 O ATOM 238 CB THR A 16 -6.250 -10.048 8.039 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.363 -10.823 7.257 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.642 -10.135 7.399 1.00 1.00 C ATOM 0 H THR A 16 -5.720 -8.520 6.080 1.00 1.00 H new ATOM 0 HA THR A 16 -6.332 -8.111 8.942 1.00 1.00 H new ATOM 0 HB THR A 16 -6.309 -10.433 9.057 1.00 1.00 H new ATOM 0 HG1 THR A 16 -5.703 -11.740 7.188 1.00 1.00 H new ATOM 0 HG21 THR A 16 -7.948 -11.179 7.334 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.358 -9.584 8.009 1.00 1.00 H new ATOM 0 HG23 THR A 16 -7.610 -9.704 6.398 1.00 1.00 H new ATOM 248 N ALA A 17 -3.917 -9.000 9.777 1.00 1.00 N ATOM 249 CA ALA A 17 -2.519 -9.045 10.191 1.00 1.00 C ATOM 250 C ALA A 17 -1.658 -9.867 9.223 1.00 1.00 C ATOM 251 O ALA A 17 -0.491 -9.526 9.021 1.00 1.00 O ATOM 252 CB ALA A 17 -2.415 -9.606 11.609 1.00 1.00 C ATOM 0 H ALA A 17 -4.576 -9.342 10.476 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.134 -8.025 10.176 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.368 -9.637 11.912 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.973 -8.968 12.295 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.830 -10.614 11.633 1.00 1.00 H new ATOM 258 N GLU A 18 -2.195 -10.939 8.628 1.00 1.00 N ATOM 259 CA GLU A 18 -1.460 -11.707 7.630 1.00 1.00 C ATOM 260 C GLU A 18 -1.423 -10.965 6.300 1.00 1.00 C ATOM 261 O GLU A 18 -0.345 -10.834 5.728 1.00 1.00 O ATOM 262 CB GLU A 18 -2.013 -13.126 7.473 1.00 1.00 C ATOM 263 CG GLU A 18 -1.172 -13.902 6.444 1.00 1.00 C ATOM 264 CD GLU A 18 -1.207 -15.408 6.676 1.00 1.00 C ATOM 265 OE1 GLU A 18 -2.301 -15.980 6.847 1.00 1.00 O ATOM 266 OE2 GLU A 18 -0.121 -16.034 6.714 1.00 1.00 O ATOM 0 H GLU A 18 -3.133 -11.289 8.823 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.435 -11.813 7.985 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.996 -13.641 8.433 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.054 -13.087 7.151 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.539 -13.684 5.441 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.140 -13.555 6.488 1.00 1.00 H new ATOM 273 N GLU A 19 -2.544 -10.436 5.808 1.00 1.00 N ATOM 274 CA GLU A 19 -2.505 -9.702 4.546 1.00 1.00 C ATOM 275 C GLU A 19 -1.551 -8.512 4.674 1.00 1.00 C ATOM 276 O GLU A 19 -0.746 -8.261 3.784 1.00 1.00 O ATOM 277 CB GLU A 19 -3.901 -9.237 4.126 1.00 1.00 C ATOM 278 CG GLU A 19 -4.877 -10.374 3.805 1.00 1.00 C ATOM 279 CD GLU A 19 -4.437 -11.151 2.568 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.613 -12.081 2.692 1.00 1.00 O ATOM 281 OE2 GLU A 19 -4.917 -10.839 1.453 1.00 1.00 O ATOM 0 H GLU A 19 -3.462 -10.499 6.248 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.140 -10.372 3.767 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.323 -8.627 4.925 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.809 -8.595 3.250 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.943 -11.050 4.657 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.875 -9.965 3.644 1.00 1.00 H new ATOM 288 N LEU A 20 -1.567 -7.820 5.812 1.00 1.00 N ATOM 289 CA LEU A 20 -0.651 -6.737 6.110 1.00 1.00 C ATOM 290 C LEU A 20 0.776 -7.246 6.173 1.00 1.00 C ATOM 291 O LEU A 20 1.654 -6.574 5.649 1.00 1.00 O ATOM 292 CB LEU A 20 -1.035 -6.018 7.416 1.00 1.00 C ATOM 293 CG LEU A 20 -2.292 -5.139 7.281 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.656 -4.496 8.615 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.051 -3.995 6.296 1.00 1.00 C ATOM 0 H LEU A 20 -2.232 -8.005 6.563 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.721 -6.009 5.302 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.202 -6.761 8.196 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.199 -5.398 7.740 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.093 -5.792 6.934 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.547 -3.881 8.491 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.852 -5.274 9.353 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.829 -3.873 8.956 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -2.952 -3.387 6.217 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.227 -3.377 6.651 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.802 -4.404 5.317 1.00 1.00 H new ATOM 307 N LYS A 21 1.052 -8.415 6.751 1.00 1.00 N ATOM 308 CA LYS A 21 2.395 -8.981 6.734 1.00 1.00 C ATOM 309 C LYS A 21 2.905 -9.098 5.307 1.00 1.00 C ATOM 310 O LYS A 21 3.997 -8.624 4.981 1.00 1.00 O ATOM 311 CB LYS A 21 2.321 -10.373 7.356 1.00 1.00 C ATOM 312 CG LYS A 21 3.681 -10.983 7.676 1.00 1.00 C ATOM 313 CD LYS A 21 4.476 -10.126 8.670 1.00 1.00 C ATOM 314 CE LYS A 21 5.255 -11.006 9.643 1.00 1.00 C ATOM 315 NZ LYS A 21 6.188 -11.922 8.960 1.00 1.00 N ATOM 0 H LYS A 21 0.361 -8.987 7.236 1.00 1.00 H new ATOM 0 HA LYS A 21 3.075 -8.337 7.291 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.734 -10.319 8.273 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.788 -11.036 6.675 1.00 1.00 H new ATOM 0 HG2 LYS A 21 3.542 -11.982 8.089 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.254 -11.095 6.755 1.00 1.00 H new ATOM 0 HD2 LYS A 21 5.164 -9.477 8.128 1.00 1.00 H new ATOM 0 HD3 LYS A 21 3.796 -9.478 9.223 1.00 1.00 H new ATOM 0 HE2 LYS A 21 5.813 -10.373 10.332 1.00 1.00 H new ATOM 0 HE3 LYS A 21 4.554 -11.588 10.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 6.798 -12.385 9.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 5.648 -12.644 8.441 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 6.777 -11.384 8.293 1.00 1.00 H new ATOM 329 N LYS A 22 2.124 -9.774 4.469 1.00 1.00 N ATOM 330 CA LYS A 22 2.492 -10.067 3.100 1.00 1.00 C ATOM 331 C LYS A 22 2.596 -8.760 2.318 1.00 1.00 C ATOM 332 O LYS A 22 3.537 -8.620 1.541 1.00 1.00 O ATOM 333 CB LYS A 22 1.481 -11.059 2.510 1.00 1.00 C ATOM 334 CG LYS A 22 1.366 -12.405 3.248 1.00 1.00 C ATOM 335 CD LYS A 22 2.656 -13.203 3.445 1.00 1.00 C ATOM 336 CE LYS A 22 2.305 -14.420 4.307 1.00 1.00 C ATOM 337 NZ LYS A 22 3.508 -15.174 4.695 1.00 1.00 N ATOM 0 H LYS A 22 1.207 -10.135 4.732 1.00 1.00 H new ATOM 0 HA LYS A 22 3.470 -10.544 3.043 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.499 -10.586 2.498 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.753 -11.255 1.473 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.931 -12.217 4.230 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.661 -13.031 2.702 1.00 1.00 H new ATOM 0 HD2 LYS A 22 3.066 -13.516 2.485 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.416 -12.592 3.932 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.776 -14.092 5.202 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.627 -15.073 3.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.233 -15.991 5.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.999 -15.507 3.841 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.143 -14.557 5.241 1.00 1.00 H new ATOM 351 N PHE A 23 1.718 -7.784 2.566 1.00 1.00 N ATOM 352 CA PHE A 23 1.776 -6.458 1.965 1.00 1.00 C ATOM 353 C PHE A 23 3.083 -5.784 2.342 1.00 1.00 C ATOM 354 O PHE A 23 3.860 -5.431 1.467 1.00 1.00 O ATOM 355 CB PHE A 23 0.579 -5.610 2.417 1.00 1.00 C ATOM 356 CG PHE A 23 0.465 -4.238 1.773 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.460 -4.104 0.369 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.306 -3.090 2.575 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.255 -2.847 -0.226 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.105 -1.835 1.972 1.00 1.00 C ATOM 361 CZ PHE A 23 0.078 -1.711 0.577 1.00 1.00 C ATOM 0 H PHE A 23 0.932 -7.901 3.205 1.00 1.00 H new ATOM 0 HA PHE A 23 1.729 -6.556 0.880 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.336 -6.166 2.210 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.636 -5.481 3.498 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.615 -4.973 -0.253 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.338 -3.174 3.651 1.00 1.00 H new ATOM 0 HE1 PHE A 23 0.234 -2.756 -1.302 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -0.030 -0.960 2.590 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.079 -0.744 0.122 1.00 1.00 H new ATOM 371 N LYS A 24 3.363 -5.638 3.636 1.00 1.00 N ATOM 372 CA LYS A 24 4.564 -5.016 4.175 1.00 1.00 C ATOM 373 C LYS A 24 5.836 -5.669 3.627 1.00 1.00 C ATOM 374 O LYS A 24 6.845 -4.983 3.472 1.00 1.00 O ATOM 375 CB LYS A 24 4.477 -5.052 5.704 1.00 1.00 C ATOM 376 CG LYS A 24 3.376 -4.131 6.279 1.00 1.00 C ATOM 377 CD LYS A 24 3.238 -4.367 7.788 1.00 1.00 C ATOM 378 CE LYS A 24 2.168 -3.476 8.421 1.00 1.00 C ATOM 379 NZ LYS A 24 2.253 -3.504 9.895 1.00 1.00 N ATOM 0 H LYS A 24 2.730 -5.965 4.366 1.00 1.00 H new ATOM 0 HA LYS A 24 4.624 -3.976 3.855 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.288 -6.076 6.026 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.440 -4.759 6.122 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.624 -3.087 6.086 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.426 -4.330 5.782 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.990 -5.413 7.968 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.197 -4.179 8.272 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.287 -2.452 8.067 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.180 -3.810 8.105 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.384 -3.921 10.285 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 3.072 -4.076 10.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.363 -2.534 10.255 1.00 1.00 H new ATOM 393 N LEU A 25 5.816 -6.969 3.325 1.00 1.00 N ATOM 394 CA LEU A 25 6.931 -7.663 2.695 1.00 1.00 C ATOM 395 C LEU A 25 6.968 -7.371 1.198 1.00 1.00 C ATOM 396 O LEU A 25 8.019 -6.966 0.719 1.00 1.00 O ATOM 397 CB LEU A 25 6.826 -9.180 2.944 1.00 1.00 C ATOM 398 CG LEU A 25 7.251 -9.598 4.363 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.682 -10.978 4.711 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.780 -9.654 4.475 1.00 1.00 C ATOM 0 H LEU A 25 5.015 -7.572 3.515 1.00 1.00 H new ATOM 0 HA LEU A 25 7.858 -7.300 3.138 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.798 -9.498 2.772 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.447 -9.704 2.218 1.00 1.00 H new ATOM 0 HG LEU A 25 6.861 -8.855 5.058 1.00 1.00 H new ATOM 0 HD11 LEU A 25 6.993 -11.256 5.718 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.594 -10.945 4.664 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.054 -11.715 3.999 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.060 -9.951 5.486 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.171 -10.380 3.762 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.197 -8.671 4.257 1.00 1.00 H new ATOM 412 N LYS A 26 5.884 -7.539 0.431 1.00 1.00 N ATOM 413 CA LYS A 26 5.867 -7.204 -1.003 1.00 1.00 C ATOM 414 C LYS A 26 6.214 -5.734 -1.231 1.00 1.00 C ATOM 415 O LYS A 26 6.841 -5.391 -2.236 1.00 1.00 O ATOM 416 CB LYS A 26 4.507 -7.544 -1.634 1.00 1.00 C ATOM 417 CG LYS A 26 4.287 -9.048 -1.869 1.00 1.00 C ATOM 418 CD LYS A 26 5.296 -9.647 -2.868 1.00 1.00 C ATOM 419 CE LYS A 26 4.802 -10.948 -3.523 1.00 1.00 C ATOM 420 NZ LYS A 26 3.591 -10.715 -4.329 1.00 1.00 N ATOM 0 H LYS A 26 5.000 -7.908 0.781 1.00 1.00 H new ATOM 0 HA LYS A 26 6.630 -7.810 -1.492 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.714 -7.167 -0.988 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.418 -7.021 -2.586 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.366 -9.576 -0.918 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.275 -9.210 -2.240 1.00 1.00 H new ATOM 0 HD2 LYS A 26 5.506 -8.913 -3.646 1.00 1.00 H new ATOM 0 HD3 LYS A 26 6.236 -9.842 -2.352 1.00 1.00 H new ATOM 0 HE2 LYS A 26 5.588 -11.361 -4.155 1.00 1.00 H new ATOM 0 HE3 LYS A 26 4.591 -11.689 -2.752 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 3.214 -11.626 -4.660 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 2.875 -10.234 -3.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 3.828 -10.120 -5.148 1.00 1.00 H new ATOM 434 N LEU A 27 5.877 -4.865 -0.281 1.00 1.00 N ATOM 435 CA LEU A 27 6.234 -3.461 -0.294 1.00 1.00 C ATOM 436 C LEU A 27 7.747 -3.281 -0.297 1.00 1.00 C ATOM 437 O LEU A 27 8.181 -2.213 -0.723 1.00 1.00 O ATOM 438 CB LEU A 27 5.637 -2.705 0.913 1.00 1.00 C ATOM 439 CG LEU A 27 4.167 -2.273 0.782 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.595 -1.783 2.114 1.00 1.00 C ATOM 441 CD2 LEU A 27 4.054 -1.097 -0.186 1.00 1.00 C ATOM 0 H LEU A 27 5.333 -5.132 0.539 1.00 1.00 H new ATOM 0 HA LEU A 27 5.816 -3.042 -1.209 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.731 -3.339 1.795 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.241 -1.816 1.094 1.00 1.00 H new ATOM 0 HG LEU A 27 3.618 -3.148 0.434 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.555 -1.488 1.977 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.650 -2.584 2.851 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.172 -0.927 2.465 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.010 -0.797 -0.273 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.642 -0.259 0.189 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.429 -1.394 -1.165 1.00 1.00 H new ATOM 453 N LEU A 28 8.551 -4.276 0.095 1.00 1.00 N ATOM 454 CA LEU A 28 9.990 -4.081 0.206 1.00 1.00 C ATOM 455 C LEU A 28 10.798 -5.344 -0.118 1.00 1.00 C ATOM 456 O LEU A 28 11.957 -5.480 0.279 1.00 1.00 O ATOM 457 CB LEU A 28 10.212 -3.600 1.646 1.00 1.00 C ATOM 458 CG LEU A 28 11.522 -2.826 1.912 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.638 -3.509 2.695 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.124 -2.100 0.705 1.00 1.00 C ATOM 0 H LEU A 28 8.228 -5.213 0.337 1.00 1.00 H new ATOM 0 HA LEU A 28 10.346 -3.357 -0.527 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.374 -2.962 1.927 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.187 -4.468 2.305 1.00 1.00 H new ATOM 0 HG LEU A 28 11.096 -2.095 2.599 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.484 -2.828 2.792 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.274 -3.779 3.686 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.955 -4.409 2.167 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.040 -1.591 1.006 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.351 -2.823 -0.078 1.00 1.00 H new ATOM 0 HD23 LEU A 28 11.410 -1.368 0.327 1.00 1.00 H new ATOM 472 N SER A 29 10.216 -6.258 -0.888 1.00 1.00 N ATOM 473 CA SER A 29 10.875 -7.465 -1.376 1.00 1.00 C ATOM 474 C SER A 29 11.194 -7.321 -2.869 1.00 1.00 C ATOM 475 O SER A 29 11.824 -8.209 -3.437 1.00 1.00 O ATOM 476 CB SER A 29 10.003 -8.691 -1.067 1.00 1.00 C ATOM 477 OG SER A 29 10.740 -9.897 -1.157 1.00 1.00 O ATOM 0 H SER A 29 9.248 -6.178 -1.198 1.00 1.00 H new ATOM 0 HA SER A 29 11.826 -7.609 -0.863 1.00 1.00 H new ATOM 0 HB2 SER A 29 9.583 -8.595 -0.066 1.00 1.00 H new ATOM 0 HB3 SER A 29 9.164 -8.725 -1.762 1.00 1.00 H new ATOM 0 HG SER A 29 11.379 -9.836 -1.898 1.00 1.00 H new ATOM 483 N VAL A 30 10.771 -6.223 -3.502 1.00 1.00 N ATOM 484 CA VAL A 30 11.052 -5.866 -4.881 1.00 1.00 C ATOM 485 C VAL A 30 11.158 -4.324 -4.928 1.00 1.00 C ATOM 486 O VAL A 30 10.559 -3.658 -4.072 1.00 1.00 O ATOM 487 CB VAL A 30 9.930 -6.505 -5.734 1.00 1.00 C ATOM 488 CG1 VAL A 30 8.539 -5.915 -5.486 1.00 1.00 C ATOM 489 CG2 VAL A 30 10.215 -6.506 -7.239 1.00 1.00 C ATOM 0 H VAL A 30 10.192 -5.526 -3.033 1.00 1.00 H new ATOM 0 HA VAL A 30 11.991 -6.240 -5.288 1.00 1.00 H new ATOM 0 HB VAL A 30 9.927 -7.538 -5.385 1.00 1.00 H new ATOM 0 HG11 VAL A 30 7.812 -6.418 -6.123 1.00 1.00 H new ATOM 0 HG12 VAL A 30 8.265 -6.056 -4.441 1.00 1.00 H new ATOM 0 HG13 VAL A 30 8.549 -4.850 -5.718 1.00 1.00 H new ATOM 0 HG21 VAL A 30 9.382 -6.970 -7.767 1.00 1.00 H new ATOM 0 HG22 VAL A 30 10.338 -5.480 -7.587 1.00 1.00 H new ATOM 0 HG23 VAL A 30 11.128 -7.068 -7.436 1.00 1.00 H new ATOM 499 N PRO A 31 11.957 -3.723 -5.829 1.00 1.00 N ATOM 500 CA PRO A 31 12.077 -2.269 -5.950 1.00 1.00 C ATOM 501 C PRO A 31 10.874 -1.658 -6.682 1.00 1.00 C ATOM 502 O PRO A 31 9.928 -2.341 -7.078 1.00 1.00 O ATOM 503 CB PRO A 31 13.387 -2.047 -6.717 1.00 1.00 C ATOM 504 CG PRO A 31 13.482 -3.283 -7.608 1.00 1.00 C ATOM 505 CD PRO A 31 12.927 -4.377 -6.700 1.00 1.00 C ATOM 0 HA PRO A 31 12.090 -1.779 -4.977 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.360 -1.129 -7.304 1.00 1.00 H new ATOM 0 HB3 PRO A 31 14.240 -1.970 -6.043 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.895 -3.174 -8.520 1.00 1.00 H new ATOM 0 HG3 PRO A 31 14.508 -3.488 -7.912 1.00 1.00 H new ATOM 0 HD2 PRO A 31 12.456 -5.167 -7.284 1.00 1.00 H new ATOM 0 HD3 PRO A 31 13.723 -4.842 -6.118 1.00 1.00 H new ATOM 513 N LEU A 32 10.890 -0.337 -6.846 1.00 1.00 N ATOM 514 CA LEU A 32 9.904 0.442 -7.597 1.00 1.00 C ATOM 515 C LEU A 32 10.614 1.105 -8.786 1.00 1.00 C ATOM 516 O LEU A 32 11.822 0.923 -8.976 1.00 1.00 O ATOM 517 CB LEU A 32 9.316 1.503 -6.641 1.00 1.00 C ATOM 518 CG LEU A 32 7.944 2.096 -7.014 1.00 1.00 C ATOM 519 CD1 LEU A 32 6.851 1.033 -7.173 1.00 1.00 C ATOM 520 CD2 LEU A 32 7.519 3.028 -5.880 1.00 1.00 C ATOM 0 H LEU A 32 11.622 0.247 -6.442 1.00 1.00 H new ATOM 0 HA LEU A 32 9.098 -0.184 -7.979 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.234 1.058 -5.649 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.030 2.323 -6.564 1.00 1.00 H new ATOM 0 HG LEU A 32 8.053 2.605 -7.971 1.00 1.00 H new ATOM 0 HD11 LEU A 32 5.910 1.516 -7.436 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.134 0.336 -7.962 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.731 0.491 -6.235 1.00 1.00 H new ATOM 0 HD21 LEU A 32 6.548 3.466 -6.113 1.00 1.00 H new ATOM 0 HD22 LEU A 32 7.448 2.462 -4.951 1.00 1.00 H new ATOM 0 HD23 LEU A 32 8.257 3.822 -5.766 1.00 1.00 H new ATOM 532 N ARG A 33 9.875 1.855 -9.603 1.00 1.00 N ATOM 533 CA ARG A 33 10.445 2.641 -10.699 1.00 1.00 C ATOM 534 C ARG A 33 11.151 3.846 -10.068 1.00 1.00 C ATOM 535 O ARG A 33 10.950 4.127 -8.882 1.00 1.00 O ATOM 536 CB ARG A 33 9.326 3.140 -11.629 1.00 1.00 C ATOM 537 CG ARG A 33 8.703 2.024 -12.476 1.00 1.00 C ATOM 538 CD ARG A 33 7.460 2.569 -13.185 1.00 1.00 C ATOM 539 NE ARG A 33 6.840 1.568 -14.064 1.00 1.00 N ATOM 540 CZ ARG A 33 6.838 1.563 -15.402 1.00 1.00 C ATOM 541 NH1 ARG A 33 7.494 2.479 -16.105 1.00 1.00 N ATOM 542 NH2 ARG A 33 6.168 0.631 -16.061 1.00 1.00 N ATOM 0 H ARG A 33 8.861 1.935 -9.524 1.00 1.00 H new ATOM 0 HA ARG A 33 11.137 2.036 -11.285 1.00 1.00 H new ATOM 0 HB2 ARG A 33 8.547 3.610 -11.029 1.00 1.00 H new ATOM 0 HB3 ARG A 33 9.727 3.908 -12.290 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.424 1.660 -13.208 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.435 1.177 -11.844 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.734 2.897 -12.441 1.00 1.00 H new ATOM 0 HD3 ARG A 33 7.733 3.446 -13.772 1.00 1.00 H new ATOM 0 HE ARG A 33 6.360 0.794 -13.605 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.017 3.212 -15.626 1.00 1.00 H new ATOM 0 HH12 ARG A 33 7.474 2.450 -17.124 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.652 -0.085 -15.549 1.00 1.00 H new ATOM 0 HH22 ARG A 33 6.167 0.628 -17.081 1.00 1.00 H new ATOM 556 N GLU A 34 11.905 4.608 -10.857 1.00 1.00 N ATOM 557 CA GLU A 34 12.685 5.706 -10.305 1.00 1.00 C ATOM 558 C GLU A 34 11.762 6.924 -10.166 1.00 1.00 C ATOM 559 O GLU A 34 10.676 6.974 -10.762 1.00 1.00 O ATOM 560 CB GLU A 34 13.890 5.967 -11.229 1.00 1.00 C ATOM 561 CG GLU A 34 14.935 6.934 -10.664 1.00 1.00 C ATOM 562 CD GLU A 34 15.399 6.514 -9.272 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.140 5.509 -9.158 1.00 1.00 O ATOM 564 OE2 GLU A 34 14.990 7.167 -8.287 1.00 1.00 O ATOM 0 H GLU A 34 11.990 4.486 -11.866 1.00 1.00 H new ATOM 0 HA GLU A 34 13.080 5.474 -9.316 1.00 1.00 H new ATOM 0 HB2 GLU A 34 14.376 5.016 -11.447 1.00 1.00 H new ATOM 0 HB3 GLU A 34 13.524 6.362 -12.177 1.00 1.00 H new ATOM 0 HG2 GLU A 34 15.792 6.976 -11.336 1.00 1.00 H new ATOM 0 HG3 GLU A 34 14.515 7.939 -10.620 1.00 1.00 H new ATOM 571 N GLY A 35 12.182 7.899 -9.364 1.00 1.00 N ATOM 572 CA GLY A 35 11.383 9.070 -9.024 1.00 1.00 C ATOM 573 C GLY A 35 10.511 8.776 -7.797 1.00 1.00 C ATOM 574 O GLY A 35 9.836 9.667 -7.286 1.00 1.00 O ATOM 0 H GLY A 35 13.103 7.896 -8.925 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.036 9.919 -8.821 1.00 1.00 H new ATOM 0 HA3 GLY A 35 10.753 9.348 -9.869 1.00 1.00 H new ATOM 578 N TYR A 36 10.533 7.538 -7.302 1.00 1.00 N ATOM 579 CA TYR A 36 9.855 7.044 -6.126 1.00 1.00 C ATOM 580 C TYR A 36 10.817 6.100 -5.400 1.00 1.00 C ATOM 581 O TYR A 36 11.936 5.855 -5.860 1.00 1.00 O ATOM 582 CB TYR A 36 8.581 6.322 -6.571 1.00 1.00 C ATOM 583 CG TYR A 36 7.526 7.170 -7.258 1.00 1.00 C ATOM 584 CD1 TYR A 36 6.989 8.295 -6.603 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.045 6.808 -8.531 1.00 1.00 C ATOM 586 CE1 TYR A 36 5.966 9.046 -7.207 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.013 7.549 -9.134 1.00 1.00 C ATOM 588 CZ TYR A 36 5.458 8.665 -8.467 1.00 1.00 C ATOM 589 OH TYR A 36 4.455 9.386 -9.035 1.00 1.00 O ATOM 0 H TYR A 36 11.073 6.803 -7.759 1.00 1.00 H new ATOM 0 HA TYR A 36 9.569 7.848 -5.447 1.00 1.00 H new ATOM 0 HB2 TYR A 36 8.865 5.516 -7.248 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.128 5.858 -5.695 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.365 8.582 -5.632 1.00 1.00 H new ATOM 0 HD2 TYR A 36 7.470 5.959 -9.046 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.568 9.916 -6.706 1.00 1.00 H new ATOM 0 HE2 TYR A 36 5.644 7.265 -10.108 1.00 1.00 H new ATOM 0 HH TYR A 36 3.624 8.867 -9.010 1.00 1.00 H new ATOM 599 N GLY A 37 10.406 5.592 -4.243 1.00 1.00 N ATOM 600 CA GLY A 37 11.196 4.692 -3.408 1.00 1.00 C ATOM 601 C GLY A 37 10.310 3.639 -2.759 1.00 1.00 C ATOM 602 O GLY A 37 9.178 3.416 -3.192 1.00 1.00 O ATOM 0 H GLY A 37 9.489 5.800 -3.849 1.00 1.00 H new ATOM 0 HA2 GLY A 37 11.962 4.207 -4.013 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.713 5.264 -2.637 1.00 1.00 H new ATOM 606 N ARG A 38 10.819 2.963 -1.731 1.00 1.00 N ATOM 607 CA ARG A 38 10.069 2.003 -0.924 1.00 1.00 C ATOM 608 C ARG A 38 10.391 2.309 0.542 1.00 1.00 C ATOM 609 O ARG A 38 11.507 2.733 0.854 1.00 1.00 O ATOM 610 CB ARG A 38 10.438 0.550 -1.267 1.00 1.00 C ATOM 611 CG ARG A 38 10.192 0.040 -2.702 1.00 1.00 C ATOM 612 CD ARG A 38 8.711 -0.065 -3.097 1.00 1.00 C ATOM 613 NE ARG A 38 8.516 -0.916 -4.294 1.00 1.00 N ATOM 614 CZ ARG A 38 7.779 -2.030 -4.416 1.00 1.00 C ATOM 615 NH1 ARG A 38 7.252 -2.622 -3.357 1.00 1.00 N ATOM 616 NH2 ARG A 38 7.563 -2.541 -5.620 1.00 1.00 N ATOM 0 H ARG A 38 11.787 3.070 -1.429 1.00 1.00 H new ATOM 0 HA ARG A 38 9.002 2.101 -1.125 1.00 1.00 H new ATOM 0 HB2 ARG A 38 11.497 0.418 -1.047 1.00 1.00 H new ATOM 0 HB3 ARG A 38 9.887 -0.100 -0.587 1.00 1.00 H new ATOM 0 HG2 ARG A 38 10.695 0.707 -3.402 1.00 1.00 H new ATOM 0 HG3 ARG A 38 10.654 -0.942 -2.809 1.00 1.00 H new ATOM 0 HD2 ARG A 38 8.141 -0.476 -2.263 1.00 1.00 H new ATOM 0 HD3 ARG A 38 8.316 0.932 -3.292 1.00 1.00 H new ATOM 0 HE ARG A 38 9.007 -0.615 -5.136 1.00 1.00 H new ATOM 0 HH11 ARG A 38 7.403 -2.232 -2.427 1.00 1.00 H new ATOM 0 HH12 ARG A 38 6.694 -3.469 -3.471 1.00 1.00 H new ATOM 0 HH21 ARG A 38 7.956 -2.087 -6.445 1.00 1.00 H new ATOM 0 HH22 ARG A 38 7.004 -3.388 -5.722 1.00 1.00 H new ATOM 630 N ILE A 39 9.425 2.104 1.432 1.00 1.00 N ATOM 631 CA ILE A 39 9.589 2.249 2.878 1.00 1.00 C ATOM 632 C ILE A 39 10.172 0.903 3.353 1.00 1.00 C ATOM 633 O ILE A 39 9.685 -0.127 2.882 1.00 1.00 O ATOM 634 CB ILE A 39 8.208 2.565 3.512 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.569 3.847 2.912 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.310 2.714 5.041 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.070 3.982 3.214 1.00 1.00 C ATOM 0 H ILE A 39 8.482 1.825 1.163 1.00 1.00 H new ATOM 0 HA ILE A 39 10.251 3.065 3.167 1.00 1.00 H new ATOM 0 HB ILE A 39 7.565 1.717 3.278 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.091 4.721 3.303 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.715 3.845 1.832 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.325 2.935 5.452 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.683 1.785 5.473 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.994 3.527 5.282 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.690 4.899 2.765 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.537 3.127 2.799 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.918 4.016 4.293 1.00 1.00 H new ATOM 649 N PRO A 40 11.189 0.861 4.238 1.00 1.00 N ATOM 650 CA PRO A 40 11.838 -0.388 4.637 1.00 1.00 C ATOM 651 C PRO A 40 10.865 -1.274 5.433 1.00 1.00 C ATOM 652 O PRO A 40 9.990 -0.781 6.149 1.00 1.00 O ATOM 653 CB PRO A 40 13.083 0.003 5.423 1.00 1.00 C ATOM 654 CG PRO A 40 12.628 1.302 6.050 1.00 1.00 C ATOM 655 CD PRO A 40 11.802 1.968 4.948 1.00 1.00 C ATOM 0 HA PRO A 40 12.131 -0.991 3.778 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.352 -0.744 6.170 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.952 0.137 4.779 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.033 1.127 6.946 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.474 1.922 6.346 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.050 2.638 5.365 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.430 2.565 4.287 1.00 1.00 H new ATOM 663 N ARG A 41 11.036 -2.598 5.374 1.00 1.00 N ATOM 664 CA ARG A 41 10.101 -3.535 6.003 1.00 1.00 C ATOM 665 C ARG A 41 10.136 -3.470 7.524 1.00 1.00 C ATOM 666 O ARG A 41 9.138 -3.816 8.154 1.00 1.00 O ATOM 667 CB ARG A 41 10.338 -4.967 5.505 1.00 1.00 C ATOM 668 CG ARG A 41 9.179 -5.930 5.811 1.00 1.00 C ATOM 669 CD ARG A 41 9.617 -7.117 6.673 1.00 1.00 C ATOM 670 NE ARG A 41 10.032 -6.727 8.031 1.00 1.00 N ATOM 671 CZ ARG A 41 10.822 -7.457 8.832 1.00 1.00 C ATOM 672 NH1 ARG A 41 11.450 -8.533 8.373 1.00 1.00 N ATOM 673 NH2 ARG A 41 10.983 -7.121 10.104 1.00 1.00 N ATOM 0 H ARG A 41 11.817 -3.046 4.895 1.00 1.00 H new ATOM 0 HA ARG A 41 9.100 -3.227 5.702 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.505 -4.944 4.428 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.250 -5.354 5.960 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.385 -5.387 6.323 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.761 -6.299 4.875 1.00 1.00 H new ATOM 0 HD2 ARG A 41 8.796 -7.830 6.742 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.444 -7.630 6.181 1.00 1.00 H new ATOM 0 HE ARG A 41 9.693 -5.834 8.389 1.00 1.00 H new ATOM 0 HH11 ARG A 41 11.335 -8.814 7.399 1.00 1.00 H new ATOM 0 HH12 ARG A 41 12.048 -9.078 8.994 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.504 -6.302 10.480 1.00 1.00 H new ATOM 0 HH22 ARG A 41 11.585 -7.681 10.707 1.00 1.00 H new ATOM 687 N GLY A 42 11.249 -3.079 8.138 1.00 1.00 N ATOM 688 CA GLY A 42 11.284 -2.899 9.581 1.00 1.00 C ATOM 689 C GLY A 42 10.314 -1.782 9.973 1.00 1.00 C ATOM 690 O GLY A 42 9.436 -1.985 10.820 1.00 1.00 O ATOM 0 H GLY A 42 12.130 -2.883 7.662 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.010 -3.827 10.082 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.295 -2.649 9.904 1.00 1.00 H new ATOM 694 N ALA A 43 10.431 -0.633 9.296 1.00 1.00 N ATOM 695 CA ALA A 43 9.570 0.524 9.489 1.00 1.00 C ATOM 696 C ALA A 43 8.120 0.115 9.271 1.00 1.00 C ATOM 697 O ALA A 43 7.281 0.375 10.125 1.00 1.00 O ATOM 698 CB ALA A 43 9.958 1.667 8.543 1.00 1.00 C ATOM 0 H ALA A 43 11.146 -0.486 8.584 1.00 1.00 H new ATOM 0 HA ALA A 43 9.693 0.888 10.509 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.297 2.518 8.710 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.989 1.965 8.736 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.864 1.332 7.510 1.00 1.00 H new ATOM 704 N LEU A 44 7.837 -0.559 8.153 1.00 1.00 N ATOM 705 CA LEU A 44 6.492 -0.999 7.812 1.00 1.00 C ATOM 706 C LEU A 44 5.896 -1.916 8.876 1.00 1.00 C ATOM 707 O LEU A 44 4.714 -1.792 9.171 1.00 1.00 O ATOM 708 CB LEU A 44 6.482 -1.692 6.447 1.00 1.00 C ATOM 709 CG LEU A 44 6.649 -0.743 5.249 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.716 -1.579 3.971 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.479 0.244 5.134 1.00 1.00 C ATOM 0 H LEU A 44 8.541 -0.813 7.460 1.00 1.00 H new ATOM 0 HA LEU A 44 5.867 -0.107 7.765 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.283 -2.431 6.423 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.543 -2.235 6.336 1.00 1.00 H new ATOM 0 HG LEU A 44 7.563 -0.167 5.395 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.835 -0.920 3.111 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.565 -2.260 4.026 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.796 -2.154 3.864 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.636 0.896 4.275 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.548 -0.308 5.005 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.420 0.846 6.041 1.00 1.00 H new ATOM 723 N LEU A 45 6.677 -2.836 9.446 1.00 1.00 N ATOM 724 CA LEU A 45 6.210 -3.676 10.550 1.00 1.00 C ATOM 725 C LEU A 45 5.891 -2.831 11.779 1.00 1.00 C ATOM 726 O LEU A 45 4.881 -3.105 12.424 1.00 1.00 O ATOM 727 CB LEU A 45 7.203 -4.795 10.908 1.00 1.00 C ATOM 728 CG LEU A 45 7.197 -6.090 10.060 1.00 1.00 C ATOM 729 CD1 LEU A 45 6.453 -7.215 10.789 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.600 -5.999 8.649 1.00 1.00 C ATOM 0 H LEU A 45 7.639 -3.018 9.160 1.00 1.00 H new ATOM 0 HA LEU A 45 5.296 -4.160 10.206 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.207 -4.374 10.862 1.00 1.00 H new ATOM 0 HB3 LEU A 45 7.023 -5.078 11.945 1.00 1.00 H new ATOM 0 HG LEU A 45 8.261 -6.288 9.933 1.00 1.00 H new ATOM 0 HD11 LEU A 45 6.462 -8.115 10.174 1.00 1.00 H new ATOM 0 HD12 LEU A 45 6.945 -7.420 11.740 1.00 1.00 H new ATOM 0 HD13 LEU A 45 5.423 -6.911 10.972 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.659 -6.974 8.166 1.00 1.00 H new ATOM 0 HD22 LEU A 45 5.557 -5.688 8.714 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.160 -5.270 8.063 1.00 1.00 H new ATOM 742 N SER A 46 6.711 -1.834 12.130 1.00 1.00 N ATOM 743 CA SER A 46 6.376 -0.961 13.247 1.00 1.00 C ATOM 744 C SER A 46 5.180 -0.035 12.960 1.00 1.00 C ATOM 745 O SER A 46 4.496 0.374 13.897 1.00 1.00 O ATOM 746 CB SER A 46 7.633 -0.230 13.733 1.00 1.00 C ATOM 747 OG SER A 46 8.500 0.187 12.693 1.00 1.00 O ATOM 0 H SER A 46 7.593 -1.619 11.664 1.00 1.00 H new ATOM 0 HA SER A 46 6.023 -1.581 14.071 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.331 0.643 14.311 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.183 -0.885 14.408 1.00 1.00 H new ATOM 0 HG SER A 46 7.985 0.316 11.869 1.00 1.00 H new ATOM 753 N MET A 47 4.891 0.267 11.694 1.00 1.00 N ATOM 754 CA MET A 47 3.791 1.123 11.275 1.00 1.00 C ATOM 755 C MET A 47 2.494 0.326 11.132 1.00 1.00 C ATOM 756 O MET A 47 2.502 -0.856 10.788 1.00 1.00 O ATOM 757 CB MET A 47 4.132 1.721 9.900 1.00 1.00 C ATOM 758 CG MET A 47 5.250 2.764 9.965 1.00 1.00 C ATOM 759 SD MET A 47 6.077 3.107 8.381 1.00 1.00 S ATOM 760 CE MET A 47 4.667 3.661 7.396 1.00 1.00 C ATOM 0 H MET A 47 5.436 -0.091 10.910 1.00 1.00 H new ATOM 0 HA MET A 47 3.652 1.898 12.028 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.429 0.919 9.224 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.238 2.180 9.477 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.835 3.696 10.350 1.00 1.00 H new ATOM 0 HG3 MET A 47 5.998 2.428 10.683 1.00 1.00 H new ATOM 0 HE1 MET A 47 5.019 4.029 6.432 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.983 2.827 7.238 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.147 4.461 7.923 1.00 1.00 H new ATOM 770 N ASP A 48 1.372 1.019 11.272 1.00 1.00 N ATOM 771 CA ASP A 48 0.007 0.528 11.074 1.00 1.00 C ATOM 772 C ASP A 48 -0.548 1.137 9.785 1.00 1.00 C ATOM 773 O ASP A 48 0.197 1.648 8.943 1.00 1.00 O ATOM 774 CB ASP A 48 -0.882 0.864 12.283 1.00 1.00 C ATOM 775 CG ASP A 48 -0.968 2.362 12.579 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.395 3.148 11.709 1.00 1.00 O ATOM 777 OD2 ASP A 48 -0.593 2.766 13.704 1.00 1.00 O ATOM 0 H ASP A 48 1.387 2.002 11.544 1.00 1.00 H new ATOM 0 HA ASP A 48 0.017 -0.558 10.984 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.886 0.479 12.104 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.495 0.349 13.163 1.00 1.00 H new ATOM 782 N ALA A 49 -1.856 1.005 9.605 1.00 1.00 N ATOM 783 CA ALA A 49 -2.617 1.446 8.449 1.00 1.00 C ATOM 784 C ALA A 49 -2.576 2.958 8.248 1.00 1.00 C ATOM 785 O ALA A 49 -2.385 3.419 7.119 1.00 1.00 O ATOM 786 CB ALA A 49 -4.077 1.012 8.657 1.00 1.00 C ATOM 0 H ALA A 49 -2.447 0.560 10.307 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.174 0.996 7.561 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.676 1.329 7.803 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.124 -0.073 8.750 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.467 1.471 9.565 1.00 1.00 H new ATOM 792 N LEU A 50 -2.803 3.730 9.311 1.00 1.00 N ATOM 793 CA LEU A 50 -2.823 5.186 9.257 1.00 1.00 C ATOM 794 C LEU A 50 -1.405 5.682 9.029 1.00 1.00 C ATOM 795 O LEU A 50 -1.182 6.531 8.165 1.00 1.00 O ATOM 796 CB LEU A 50 -3.440 5.734 10.552 1.00 1.00 C ATOM 797 CG LEU A 50 -3.708 7.255 10.523 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.884 7.583 11.455 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.499 8.088 10.974 1.00 1.00 C ATOM 0 H LEU A 50 -2.980 3.354 10.243 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.439 5.543 8.432 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.378 5.213 10.745 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.773 5.508 11.384 1.00 1.00 H new ATOM 0 HG LEU A 50 -3.928 7.513 9.487 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.075 8.656 11.436 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.774 7.050 11.119 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.639 7.276 12.472 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.751 9.148 10.931 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.233 7.819 11.996 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.654 7.889 10.315 1.00 1.00 H new ATOM 811 N ASP A 51 -0.445 5.110 9.764 1.00 1.00 N ATOM 812 CA ASP A 51 0.969 5.421 9.592 1.00 1.00 C ATOM 813 C ASP A 51 1.390 5.183 8.154 1.00 1.00 C ATOM 814 O ASP A 51 2.037 6.058 7.568 1.00 1.00 O ATOM 815 CB ASP A 51 1.893 4.594 10.496 1.00 1.00 C ATOM 816 CG ASP A 51 2.062 5.062 11.935 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.761 6.233 12.272 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.644 4.270 12.709 1.00 1.00 O ATOM 0 H ASP A 51 -0.631 4.420 10.492 1.00 1.00 H new ATOM 0 HA ASP A 51 1.073 6.470 9.870 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.518 3.571 10.516 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.879 4.563 10.033 1.00 1.00 H new ATOM 823 N LEU A 52 1.056 4.014 7.589 1.00 1.00 N ATOM 824 CA LEU A 52 1.353 3.744 6.198 1.00 1.00 C ATOM 825 C LEU A 52 0.684 4.780 5.338 1.00 1.00 C ATOM 826 O LEU A 52 1.408 5.389 4.574 1.00 1.00 O ATOM 827 CB LEU A 52 0.962 2.325 5.758 1.00 1.00 C ATOM 828 CG LEU A 52 1.095 2.166 4.216 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.923 0.954 3.795 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.271 2.096 3.525 1.00 1.00 C ATOM 0 H LEU A 52 0.584 3.254 8.079 1.00 1.00 H new ATOM 0 HA LEU A 52 2.435 3.802 6.076 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.599 1.596 6.259 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.063 2.115 6.062 1.00 1.00 H new ATOM 0 HG LEU A 52 1.624 3.063 3.894 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.972 0.907 2.707 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.931 1.043 4.201 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.458 0.045 4.176 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.130 1.985 2.450 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.829 1.241 3.908 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -0.827 3.012 3.725 1.00 1.00 H new ATOM 842 N THR A 53 -0.628 4.978 5.429 1.00 1.00 N ATOM 843 CA THR A 53 -1.347 5.895 4.565 1.00 1.00 C ATOM 844 C THR A 53 -0.606 7.218 4.482 1.00 1.00 C ATOM 845 O THR A 53 -0.213 7.638 3.396 1.00 1.00 O ATOM 846 CB THR A 53 -2.776 6.061 5.093 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.400 4.802 5.020 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.561 7.104 4.293 1.00 1.00 C ATOM 0 H THR A 53 -1.221 4.502 6.109 1.00 1.00 H new ATOM 0 HA THR A 53 -1.405 5.498 3.552 1.00 1.00 H new ATOM 0 HB THR A 53 -2.749 6.421 6.121 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.180 4.281 5.821 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.569 7.191 4.699 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.058 8.069 4.360 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.616 6.796 3.249 1.00 1.00 H new ATOM 856 N ASP A 54 -0.358 7.843 5.627 1.00 1.00 N ATOM 857 CA ASP A 54 0.254 9.162 5.628 1.00 1.00 C ATOM 858 C ASP A 54 1.682 9.142 5.109 1.00 1.00 C ATOM 859 O ASP A 54 2.100 10.105 4.458 1.00 1.00 O ATOM 860 CB ASP A 54 0.196 9.799 7.015 1.00 1.00 C ATOM 861 CG ASP A 54 -1.158 10.440 7.312 1.00 1.00 C ATOM 862 OD1 ASP A 54 -1.802 10.958 6.367 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.520 10.523 8.503 1.00 1.00 O ATOM 0 H ASP A 54 -0.568 7.464 6.551 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.330 9.773 4.940 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.407 9.040 7.768 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.977 10.555 7.096 1.00 1.00 H new ATOM 868 N LYS A 55 2.447 8.078 5.372 1.00 1.00 N ATOM 869 CA LYS A 55 3.799 7.971 4.836 1.00 1.00 C ATOM 870 C LYS A 55 3.730 7.773 3.326 1.00 1.00 C ATOM 871 O LYS A 55 4.289 8.552 2.571 1.00 1.00 O ATOM 872 CB LYS A 55 4.585 6.834 5.515 1.00 1.00 C ATOM 873 CG LYS A 55 6.090 7.100 5.329 1.00 1.00 C ATOM 874 CD LYS A 55 6.967 6.359 6.347 1.00 1.00 C ATOM 875 CE LYS A 55 8.331 7.046 6.508 1.00 1.00 C ATOM 876 NZ LYS A 55 8.229 8.344 7.211 1.00 1.00 N ATOM 0 H LYS A 55 2.153 7.288 5.947 1.00 1.00 H new ATOM 0 HA LYS A 55 4.336 8.895 5.048 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.338 6.784 6.575 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.314 5.873 5.078 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.383 6.802 4.322 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.276 8.171 5.411 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.459 6.323 7.311 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.112 5.328 6.024 1.00 1.00 H new ATOM 0 HE2 LYS A 55 9.003 6.389 7.060 1.00 1.00 H new ATOM 0 HE3 LYS A 55 8.774 7.202 5.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 9.163 8.614 7.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 7.894 9.072 6.548 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 7.557 8.259 8.000 1.00 1.00 H new ATOM 890 N LEU A 56 3.042 6.726 2.891 1.00 1.00 N ATOM 891 CA LEU A 56 2.871 6.229 1.533 1.00 1.00 C ATOM 892 C LEU A 56 2.213 7.290 0.641 1.00 1.00 C ATOM 893 O LEU A 56 2.318 7.212 -0.578 1.00 1.00 O ATOM 894 CB LEU A 56 2.107 4.899 1.674 1.00 1.00 C ATOM 895 CG LEU A 56 2.094 3.859 0.549 1.00 1.00 C ATOM 896 CD1 LEU A 56 1.135 4.217 -0.572 1.00 1.00 C ATOM 897 CD2 LEU A 56 3.483 3.564 -0.019 1.00 1.00 C ATOM 0 H LEU A 56 2.535 6.141 3.555 1.00 1.00 H new ATOM 0 HA LEU A 56 3.811 6.032 1.018 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.499 4.401 2.561 1.00 1.00 H new ATOM 0 HB3 LEU A 56 1.068 5.152 1.884 1.00 1.00 H new ATOM 0 HG LEU A 56 1.734 2.946 1.024 1.00 1.00 H new ATOM 0 HD11 LEU A 56 1.169 3.444 -1.340 1.00 1.00 H new ATOM 0 HD12 LEU A 56 0.122 4.290 -0.175 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.424 5.174 -1.007 1.00 1.00 H new ATOM 0 HD21 LEU A 56 3.402 2.820 -0.811 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.912 4.480 -0.425 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.126 3.182 0.773 1.00 1.00 H new ATOM 909 N VAL A 57 1.572 8.300 1.225 1.00 1.00 N ATOM 910 CA VAL A 57 1.013 9.431 0.512 1.00 1.00 C ATOM 911 C VAL A 57 2.078 10.532 0.463 1.00 1.00 C ATOM 912 O VAL A 57 2.568 10.854 -0.614 1.00 1.00 O ATOM 913 CB VAL A 57 -0.299 9.878 1.190 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.686 11.315 0.846 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.439 8.931 0.786 1.00 1.00 C ATOM 0 H VAL A 57 1.427 8.349 2.233 1.00 1.00 H new ATOM 0 HA VAL A 57 0.750 9.171 -0.514 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.131 9.838 2.266 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.617 11.572 1.352 1.00 1.00 H new ATOM 0 HG12 VAL A 57 0.103 11.992 1.172 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -0.821 11.407 -0.232 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.364 9.249 1.267 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.565 8.955 -0.296 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.197 7.916 1.101 1.00 1.00 H new ATOM 925 N SER A 58 2.498 11.076 1.608 1.00 1.00 N ATOM 926 CA SER A 58 3.413 12.213 1.664 1.00 1.00 C ATOM 927 C SER A 58 4.792 11.954 1.045 1.00 1.00 C ATOM 928 O SER A 58 5.374 12.842 0.424 1.00 1.00 O ATOM 929 CB SER A 58 3.516 12.623 3.132 1.00 1.00 C ATOM 930 OG SER A 58 3.963 13.954 3.261 1.00 1.00 O ATOM 0 H SER A 58 2.210 10.736 2.526 1.00 1.00 H new ATOM 0 HA SER A 58 3.010 13.018 1.049 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.543 12.516 3.611 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.202 11.954 3.651 1.00 1.00 H new ATOM 0 HG SER A 58 4.018 14.190 4.211 1.00 1.00 H new ATOM 936 N PHE A 59 5.326 10.745 1.184 1.00 1.00 N ATOM 937 CA PHE A 59 6.598 10.313 0.610 1.00 1.00 C ATOM 938 C PHE A 59 6.494 10.181 -0.916 1.00 1.00 C ATOM 939 O PHE A 59 7.515 10.102 -1.604 1.00 1.00 O ATOM 940 CB PHE A 59 6.930 8.980 1.294 1.00 1.00 C ATOM 941 CG PHE A 59 8.308 8.366 1.167 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.670 7.658 0.006 1.00 1.00 C ATOM 943 CD2 PHE A 59 9.154 8.329 2.292 1.00 1.00 C ATOM 944 CE1 PHE A 59 9.849 6.895 -0.023 1.00 1.00 C ATOM 945 CE2 PHE A 59 10.333 7.566 2.262 1.00 1.00 C ATOM 946 CZ PHE A 59 10.670 6.828 1.115 1.00 1.00 C ATOM 0 H PHE A 59 4.867 10.009 1.721 1.00 1.00 H new ATOM 0 HA PHE A 59 7.393 11.039 0.781 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.733 9.108 2.358 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.216 8.244 0.925 1.00 1.00 H new ATOM 0 HD1 PHE A 59 8.037 7.702 -0.868 1.00 1.00 H new ATOM 0 HD2 PHE A 59 8.896 8.888 3.179 1.00 1.00 H new ATOM 0 HE1 PHE A 59 10.124 6.360 -0.920 1.00 1.00 H new ATOM 0 HE2 PHE A 59 10.983 7.547 3.124 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.557 6.212 1.108 1.00 1.00 H new ATOM 956 N TYR A 60 5.278 10.169 -1.467 1.00 1.00 N ATOM 957 CA TYR A 60 5.010 9.967 -2.883 1.00 1.00 C ATOM 958 C TYR A 60 4.164 11.145 -3.382 1.00 1.00 C ATOM 959 O TYR A 60 4.727 12.215 -3.625 1.00 1.00 O ATOM 960 CB TYR A 60 4.324 8.593 -3.031 1.00 1.00 C ATOM 961 CG TYR A 60 5.174 7.399 -2.619 1.00 1.00 C ATOM 962 CD1 TYR A 60 5.244 7.036 -1.263 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.869 6.634 -3.574 1.00 1.00 C ATOM 964 CE1 TYR A 60 5.976 5.914 -0.847 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.606 5.504 -3.169 1.00 1.00 C ATOM 966 CZ TYR A 60 6.650 5.134 -1.805 1.00 1.00 C ATOM 967 OH TYR A 60 7.335 4.030 -1.408 1.00 1.00 O ATOM 0 H TYR A 60 4.429 10.304 -0.918 1.00 1.00 H new ATOM 0 HA TYR A 60 5.911 9.949 -3.496 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.412 8.593 -2.434 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.024 8.464 -4.071 1.00 1.00 H new ATOM 0 HD1 TYR A 60 4.724 7.632 -0.527 1.00 1.00 H new ATOM 0 HD2 TYR A 60 5.837 6.913 -4.617 1.00 1.00 H new ATOM 0 HE1 TYR A 60 6.022 5.651 0.199 1.00 1.00 H new ATOM 0 HE2 TYR A 60 7.139 4.918 -3.903 1.00 1.00 H new ATOM 0 HH TYR A 60 7.872 3.692 -2.155 1.00 1.00 H new ATOM 977 N LEU A 61 2.841 10.982 -3.447 1.00 1.00 N ATOM 978 CA LEU A 61 1.756 11.907 -3.774 1.00 1.00 C ATOM 979 C LEU A 61 0.492 11.236 -3.224 1.00 1.00 C ATOM 980 O LEU A 61 0.467 10.011 -3.118 1.00 1.00 O ATOM 981 CB LEU A 61 1.508 12.071 -5.286 1.00 1.00 C ATOM 982 CG LEU A 61 2.435 12.923 -6.169 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.820 14.236 -5.489 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.627 12.154 -6.746 1.00 1.00 C ATOM 0 H LEU A 61 2.452 10.062 -3.241 1.00 1.00 H new ATOM 0 HA LEU A 61 2.004 12.888 -3.368 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.497 11.069 -5.715 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.503 12.477 -5.399 1.00 1.00 H new ATOM 0 HG LEU A 61 1.850 13.192 -7.048 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.475 14.808 -6.146 1.00 1.00 H new ATOM 0 HD12 LEU A 61 1.920 14.815 -5.280 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.339 14.023 -4.555 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.232 12.825 -7.356 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.234 11.759 -5.931 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.265 11.330 -7.362 1.00 1.00 H new ATOM 996 N GLU A 62 -0.592 11.979 -2.992 1.00 1.00 N ATOM 997 CA GLU A 62 -1.880 11.414 -2.579 1.00 1.00 C ATOM 998 C GLU A 62 -2.349 10.406 -3.634 1.00 1.00 C ATOM 999 O GLU A 62 -2.591 9.235 -3.339 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.945 12.511 -2.393 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.670 13.559 -1.302 1.00 1.00 C ATOM 1002 CD GLU A 62 -1.800 14.728 -1.763 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.570 14.555 -1.914 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.355 15.833 -1.968 1.00 1.00 O ATOM 0 H GLU A 62 -0.602 12.995 -3.086 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.746 10.916 -1.619 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -3.067 13.032 -3.343 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.896 12.028 -2.170 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -3.621 13.949 -0.940 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -2.184 13.070 -0.458 1.00 1.00 H new ATOM 1011 N THR A 63 -2.425 10.865 -4.882 1.00 1.00 N ATOM 1012 CA THR A 63 -2.908 10.110 -6.026 1.00 1.00 C ATOM 1013 C THR A 63 -2.040 8.862 -6.225 1.00 1.00 C ATOM 1014 O THR A 63 -2.561 7.753 -6.381 1.00 1.00 O ATOM 1015 CB THR A 63 -2.856 11.037 -7.255 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.244 12.359 -6.901 1.00 1.00 O ATOM 1017 CG2 THR A 63 -3.738 10.525 -8.394 1.00 1.00 C ATOM 0 H THR A 63 -2.139 11.812 -5.129 1.00 1.00 H new ATOM 0 HA THR A 63 -3.933 9.772 -5.872 1.00 1.00 H new ATOM 0 HB THR A 63 -1.825 11.046 -7.607 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.204 12.935 -7.693 1.00 1.00 H new ATOM 0 HG21 THR A 63 -3.672 11.208 -9.241 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.400 9.535 -8.699 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.772 10.466 -8.055 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.709 9.033 -6.203 1.00 1.00 N ATOM 1026 CA TYR A 64 0.209 7.920 -6.378 1.00 1.00 C ATOM 1027 C TYR A 64 0.166 6.975 -5.185 1.00 1.00 C ATOM 1028 O TYR A 64 0.432 5.793 -5.359 1.00 1.00 O ATOM 1029 CB TYR A 64 1.649 8.383 -6.604 1.00 1.00 C ATOM 1030 CG TYR A 64 2.549 7.233 -7.021 1.00 1.00 C ATOM 1031 CD1 TYR A 64 2.551 6.815 -8.361 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.302 6.516 -6.074 1.00 1.00 C ATOM 1033 CE1 TYR A 64 3.337 5.726 -8.770 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.115 5.444 -6.472 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.145 5.054 -7.828 1.00 1.00 C ATOM 1036 OH TYR A 64 4.958 4.036 -8.223 1.00 1.00 O ATOM 0 H TYR A 64 -0.254 9.935 -6.065 1.00 1.00 H new ATOM 0 HA TYR A 64 -0.124 7.391 -7.271 1.00 1.00 H new ATOM 0 HB2 TYR A 64 1.667 9.156 -7.372 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.034 8.834 -5.689 1.00 1.00 H new ATOM 0 HD1 TYR A 64 1.942 7.336 -9.085 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.254 6.793 -5.031 1.00 1.00 H new ATOM 0 HE1 TYR A 64 3.323 5.404 -9.801 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.715 4.919 -5.744 1.00 1.00 H new ATOM 0 HH TYR A 64 5.844 4.392 -8.445 1.00 1.00 H new ATOM 1046 N GLY A 65 -0.171 7.442 -3.985 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.180 6.580 -2.823 1.00 1.00 C ATOM 1048 C GLY A 65 -1.206 5.458 -3.029 1.00 1.00 C ATOM 1049 O GLY A 65 -0.927 4.279 -2.797 1.00 1.00 O ATOM 0 H GLY A 65 -0.439 8.409 -3.800 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.811 6.156 -2.663 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.428 7.156 -1.931 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.392 5.811 -3.536 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.431 4.841 -3.861 1.00 1.00 C ATOM 1055 C ALA A 66 -3.046 3.975 -5.066 1.00 1.00 C ATOM 1056 O ALA A 66 -3.487 2.825 -5.160 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.751 5.576 -4.092 1.00 1.00 C ATOM 0 H ALA A 66 -2.654 6.777 -3.731 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.549 4.157 -3.021 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.531 4.855 -4.335 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -5.028 6.119 -3.188 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.636 6.279 -4.917 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.223 4.502 -5.975 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.692 3.760 -7.112 1.00 1.00 C ATOM 1065 C GLU A 67 -0.741 2.679 -6.602 1.00 1.00 C ATOM 1066 O GLU A 67 -0.964 1.502 -6.867 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.020 4.707 -8.121 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.795 4.040 -9.486 1.00 1.00 C ATOM 1069 CD GLU A 67 0.658 3.688 -9.805 1.00 1.00 C ATOM 1070 OE1 GLU A 67 1.244 2.782 -9.174 1.00 1.00 O ATOM 1071 OE2 GLU A 67 1.170 4.212 -10.828 1.00 1.00 O ATOM 0 H GLU A 67 -1.904 5.470 -5.938 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.506 3.272 -7.648 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.639 5.595 -8.251 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.063 5.041 -7.720 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.391 3.129 -9.530 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.171 4.705 -10.264 1.00 1.00 H new ATOM 1078 N LEU A 68 0.268 3.062 -5.808 1.00 1.00 N ATOM 1079 CA LEU A 68 1.224 2.156 -5.188 1.00 1.00 C ATOM 1080 C LEU A 68 0.474 1.069 -4.445 1.00 1.00 C ATOM 1081 O LEU A 68 0.724 -0.107 -4.687 1.00 1.00 O ATOM 1082 CB LEU A 68 2.181 2.890 -4.229 1.00 1.00 C ATOM 1083 CG LEU A 68 3.270 1.935 -3.696 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.496 2.746 -3.264 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.813 1.058 -2.525 1.00 1.00 C ATOM 0 H LEU A 68 0.440 4.041 -5.577 1.00 1.00 H new ATOM 0 HA LEU A 68 1.834 1.718 -5.978 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.648 3.728 -4.747 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.617 3.306 -3.394 1.00 1.00 H new ATOM 0 HG LEU A 68 3.509 1.260 -4.518 1.00 1.00 H new ATOM 0 HD11 LEU A 68 5.265 2.071 -2.888 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.886 3.299 -4.118 1.00 1.00 H new ATOM 0 HD13 LEU A 68 4.211 3.445 -2.478 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.635 0.416 -2.209 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.507 1.692 -1.693 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.971 0.441 -2.839 1.00 1.00 H new ATOM 1097 N THR A 69 -0.418 1.463 -3.540 1.00 1.00 N ATOM 1098 CA THR A 69 -1.196 0.543 -2.727 1.00 1.00 C ATOM 1099 C THR A 69 -1.856 -0.487 -3.644 1.00 1.00 C ATOM 1100 O THR A 69 -1.580 -1.673 -3.497 1.00 1.00 O ATOM 1101 CB THR A 69 -2.186 1.320 -1.843 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.480 2.259 -1.071 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.953 0.435 -0.858 1.00 1.00 C ATOM 0 H THR A 69 -0.621 2.445 -3.351 1.00 1.00 H new ATOM 0 HA THR A 69 -0.557 -0.006 -2.036 1.00 1.00 H new ATOM 0 HB THR A 69 -2.899 1.780 -2.527 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.379 3.091 -1.579 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.632 1.051 -0.268 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.526 -0.311 -1.409 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.248 -0.066 -0.194 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.648 -0.063 -4.637 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.307 -0.993 -5.546 1.00 1.00 C ATOM 1113 C ALA A 70 -2.309 -1.851 -6.337 1.00 1.00 C ATOM 1114 O ALA A 70 -2.628 -2.991 -6.669 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.136 -0.209 -6.561 1.00 1.00 C ATOM 0 H ALA A 70 -2.844 0.920 -4.827 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.925 -1.648 -4.931 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.629 -0.903 -7.241 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -4.888 0.382 -6.038 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.484 0.454 -7.129 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.141 -1.307 -6.686 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.116 -1.950 -7.503 1.00 1.00 C ATOM 1123 C ASN A 71 0.560 -3.082 -6.754 1.00 1.00 C ATOM 1124 O ASN A 71 0.671 -4.201 -7.243 1.00 1.00 O ATOM 1125 CB ASN A 71 0.971 -0.933 -7.868 1.00 1.00 C ATOM 1126 CG ASN A 71 1.966 -1.501 -8.868 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.641 -2.350 -9.693 1.00 1.00 O ATOM 1128 ND2 ASN A 71 3.191 -1.005 -8.862 1.00 1.00 N ATOM 0 H ASN A 71 -0.875 -0.367 -6.393 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.610 -2.340 -8.393 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.507 -0.039 -8.285 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.499 -0.626 -6.965 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.875 -1.327 -9.547 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.452 -0.300 -8.173 1.00 1.00 H new ATOM 1135 N VAL A 72 1.057 -2.768 -5.570 1.00 1.00 N ATOM 1136 CA VAL A 72 1.661 -3.750 -4.674 1.00 1.00 C ATOM 1137 C VAL A 72 0.582 -4.769 -4.252 1.00 1.00 C ATOM 1138 O VAL A 72 0.857 -5.963 -4.149 1.00 1.00 O ATOM 1139 CB VAL A 72 2.382 -3.036 -3.510 1.00 1.00 C ATOM 1140 CG1 VAL A 72 3.070 -4.056 -2.591 1.00 1.00 C ATOM 1141 CG2 VAL A 72 3.465 -2.060 -4.019 1.00 1.00 C ATOM 0 H VAL A 72 1.055 -1.819 -5.197 1.00 1.00 H new ATOM 0 HA VAL A 72 2.442 -4.323 -5.174 1.00 1.00 H new ATOM 0 HB VAL A 72 1.617 -2.482 -2.966 1.00 1.00 H new ATOM 0 HG11 VAL A 72 3.572 -3.532 -1.778 1.00 1.00 H new ATOM 0 HG12 VAL A 72 2.324 -4.736 -2.179 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.803 -4.625 -3.163 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.949 -1.578 -3.169 1.00 1.00 H new ATOM 0 HG22 VAL A 72 4.208 -2.610 -4.596 1.00 1.00 H new ATOM 0 HG23 VAL A 72 3.003 -1.302 -4.652 1.00 1.00 H new ATOM 1151 N LEU A 73 -0.670 -4.346 -4.072 1.00 1.00 N ATOM 1152 CA LEU A 73 -1.766 -5.269 -3.789 1.00 1.00 C ATOM 1153 C LEU A 73 -1.940 -6.219 -4.987 1.00 1.00 C ATOM 1154 O LEU A 73 -2.038 -7.430 -4.816 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.029 -4.465 -3.440 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.021 -3.960 -1.979 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.199 -3.003 -1.752 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -2.997 -5.083 -0.929 1.00 1.00 C ATOM 0 H LEU A 73 -0.949 -3.366 -4.118 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.552 -5.894 -2.922 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.113 -3.614 -4.115 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -3.909 -5.088 -3.602 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.083 -3.423 -1.837 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.188 -2.651 -0.721 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.112 -2.152 -2.427 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.135 -3.526 -1.947 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -2.993 -4.647 0.070 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -3.880 -5.711 -1.047 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.101 -5.689 -1.064 1.00 1.00 H new ATOM 1170 N ARG A 74 -1.914 -5.694 -6.213 1.00 1.00 N ATOM 1171 CA ARG A 74 -1.949 -6.488 -7.448 1.00 1.00 C ATOM 1172 C ARG A 74 -0.744 -7.424 -7.524 1.00 1.00 C ATOM 1173 O ARG A 74 -0.895 -8.530 -8.033 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.023 -5.538 -8.652 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.062 -6.183 -10.048 1.00 1.00 C ATOM 1176 CD ARG A 74 -1.570 -5.206 -11.131 1.00 1.00 C ATOM 1177 NE ARG A 74 -2.270 -3.910 -11.098 1.00 1.00 N ATOM 1178 CZ ARG A 74 -2.416 -3.040 -12.101 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -1.833 -3.236 -13.278 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -3.146 -1.950 -11.923 1.00 1.00 N ATOM 0 H ARG A 74 -1.867 -4.689 -6.381 1.00 1.00 H new ATOM 0 HA ARG A 74 -2.836 -7.122 -7.456 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -2.912 -4.918 -8.540 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.162 -4.871 -8.611 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -1.441 -7.079 -10.054 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -3.080 -6.499 -10.276 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -0.501 -5.038 -11.003 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -1.706 -5.661 -12.112 1.00 1.00 H new ATOM 0 HE ARG A 74 -2.691 -3.647 -10.207 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -1.259 -4.065 -13.431 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -1.959 -2.557 -14.029 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -3.594 -1.778 -11.023 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -3.260 -1.283 -12.686 1.00 1.00 H new ATOM 1194 N ASP A 75 0.424 -7.022 -7.017 1.00 1.00 N ATOM 1195 CA ASP A 75 1.619 -7.862 -6.934 1.00 1.00 C ATOM 1196 C ASP A 75 1.299 -9.069 -6.045 1.00 1.00 C ATOM 1197 O ASP A 75 1.668 -10.197 -6.373 1.00 1.00 O ATOM 1198 CB ASP A 75 2.792 -7.015 -6.420 1.00 1.00 C ATOM 1199 CG ASP A 75 4.172 -7.641 -6.587 1.00 1.00 C ATOM 1200 OD1 ASP A 75 4.424 -8.704 -5.984 1.00 1.00 O ATOM 1201 OD2 ASP A 75 5.015 -6.971 -7.231 1.00 1.00 O ATOM 0 H ASP A 75 0.567 -6.083 -6.645 1.00 1.00 H new ATOM 0 HA ASP A 75 1.916 -8.247 -7.910 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.781 -6.057 -6.939 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.632 -6.807 -5.362 1.00 1.00 H new ATOM 1206 N MET A 76 0.555 -8.860 -4.947 1.00 1.00 N ATOM 1207 CA MET A 76 0.080 -9.948 -4.080 1.00 1.00 C ATOM 1208 C MET A 76 -1.013 -10.799 -4.758 1.00 1.00 C ATOM 1209 O MET A 76 -1.364 -11.853 -4.232 1.00 1.00 O ATOM 1210 CB MET A 76 -0.492 -9.424 -2.750 1.00 1.00 C ATOM 1211 CG MET A 76 0.464 -8.572 -1.915 1.00 1.00 C ATOM 1212 SD MET A 76 -0.368 -7.648 -0.598 1.00 1.00 S ATOM 1213 CE MET A 76 -0.715 -8.983 0.576 1.00 1.00 C ATOM 0 H MET A 76 0.267 -7.932 -4.636 1.00 1.00 H new ATOM 0 HA MET A 76 0.960 -10.562 -3.888 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.384 -8.835 -2.965 1.00 1.00 H new ATOM 0 HB3 MET A 76 -0.810 -10.277 -2.150 1.00 1.00 H new ATOM 0 HG2 MET A 76 1.224 -9.217 -1.473 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.982 -7.871 -2.570 1.00 1.00 H new ATOM 0 HE1 MET A 76 -0.542 -8.628 1.592 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.754 -9.297 0.473 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.058 -9.828 0.370 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.575 -10.368 -5.889 1.00 1.00 N ATOM 1224 CA GLY A 77 -2.676 -11.029 -6.588 1.00 1.00 C ATOM 1225 C GLY A 77 -4.063 -10.515 -6.181 1.00 1.00 C ATOM 1226 O GLY A 77 -5.075 -11.029 -6.668 1.00 1.00 O ATOM 0 H GLY A 77 -1.264 -9.518 -6.359 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.548 -10.891 -7.662 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.625 -12.101 -6.396 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.141 -9.506 -5.310 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.375 -8.848 -4.901 1.00 1.00 C ATOM 1232 C LEU A 78 -5.826 -7.970 -6.064 1.00 1.00 C ATOM 1233 O LEU A 78 -5.055 -7.145 -6.556 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.114 -8.045 -3.614 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.300 -7.215 -3.085 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.969 -6.692 -1.686 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -6.629 -5.999 -3.974 1.00 1.00 C ATOM 0 H LEU A 78 -3.315 -9.114 -4.857 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.169 -9.559 -4.673 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.804 -8.739 -2.833 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.276 -7.372 -3.793 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.165 -7.878 -3.079 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.806 -6.105 -1.310 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.786 -7.533 -1.017 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.078 -6.065 -1.733 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.473 -5.455 -3.549 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -5.762 -5.341 -4.026 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -6.886 -6.340 -4.977 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.069 -8.133 -6.514 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.623 -7.316 -7.596 1.00 1.00 C ATOM 1251 C GLN A 79 -8.965 -6.667 -7.235 1.00 1.00 C ATOM 1252 O GLN A 79 -9.274 -5.595 -7.751 1.00 1.00 O ATOM 1253 CB GLN A 79 -7.635 -8.131 -8.902 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.356 -9.485 -8.842 1.00 1.00 C ATOM 1255 CD GLN A 79 -9.870 -9.343 -8.771 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -10.483 -8.767 -9.667 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -10.500 -9.832 -7.722 1.00 1.00 N ATOM 0 H GLN A 79 -7.717 -8.828 -6.144 1.00 1.00 H new ATOM 0 HA GLN A 79 -6.971 -6.458 -7.759 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.102 -7.527 -9.680 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -6.603 -8.304 -9.209 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.091 -10.072 -9.721 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -8.006 -10.040 -7.971 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -9.975 -10.307 -6.988 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -11.512 -9.735 -7.644 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.719 -7.259 -6.314 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.056 -6.873 -5.890 1.00 1.00 C ATOM 1268 C GLU A 80 -11.003 -5.495 -5.221 1.00 1.00 C ATOM 1269 O GLU A 80 -11.462 -4.486 -5.771 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.679 -7.992 -5.015 1.00 1.00 C ATOM 1271 CG GLU A 80 -10.922 -8.555 -3.781 1.00 1.00 C ATOM 1272 CD GLU A 80 -9.671 -9.424 -4.017 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -9.223 -9.658 -5.164 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -9.075 -9.856 -3.006 1.00 1.00 O ATOM 0 H GLU A 80 -9.385 -8.080 -5.809 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.722 -6.767 -6.746 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.640 -7.621 -4.659 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -11.887 -8.835 -5.674 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.626 -7.709 -3.160 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.630 -9.145 -3.199 1.00 1.00 H new ATOM 1281 N MET A 81 -10.325 -5.448 -4.076 1.00 1.00 N ATOM 1282 CA MET A 81 -10.030 -4.266 -3.292 1.00 1.00 C ATOM 1283 C MET A 81 -9.301 -3.249 -4.156 1.00 1.00 C ATOM 1284 O MET A 81 -9.576 -2.077 -3.975 1.00 1.00 O ATOM 1285 CB MET A 81 -9.276 -4.713 -2.029 1.00 1.00 C ATOM 1286 CG MET A 81 -8.483 -3.635 -1.281 1.00 1.00 C ATOM 1287 SD MET A 81 -9.300 -3.083 0.230 1.00 1.00 S ATOM 1288 CE MET A 81 -8.639 -4.334 1.363 1.00 1.00 C ATOM 0 H MET A 81 -9.946 -6.293 -3.650 1.00 1.00 H new ATOM 0 HA MET A 81 -10.930 -3.752 -2.954 1.00 1.00 H new ATOM 0 HB2 MET A 81 -9.999 -5.145 -1.337 1.00 1.00 H new ATOM 0 HB3 MET A 81 -8.587 -5.510 -2.309 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.496 -4.024 -1.033 1.00 1.00 H new ATOM 0 HG3 MET A 81 -8.332 -2.780 -1.940 1.00 1.00 H new ATOM 0 HE1 MET A 81 -9.369 -4.537 2.147 1.00 1.00 H new ATOM 0 HE2 MET A 81 -8.433 -5.252 0.812 1.00 1.00 H new ATOM 0 HE3 MET A 81 -7.717 -3.966 1.813 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.437 -3.640 -5.099 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.724 -2.704 -5.964 1.00 1.00 C ATOM 1300 C ALA A 82 -8.676 -1.963 -6.912 1.00 1.00 C ATOM 1301 O ALA A 82 -8.539 -0.750 -7.078 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.632 -3.434 -6.748 1.00 1.00 C ATOM 0 H ALA A 82 -8.214 -4.619 -5.281 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.257 -1.953 -5.327 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.108 -2.725 -7.389 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.925 -3.885 -6.052 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.084 -4.213 -7.362 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.644 -2.649 -7.528 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.643 -1.980 -8.358 1.00 1.00 C ATOM 1310 C GLY A 83 -11.475 -1.028 -7.500 1.00 1.00 C ATOM 1311 O GLY A 83 -11.703 0.125 -7.881 1.00 1.00 O ATOM 0 H GLY A 83 -9.754 -3.661 -7.466 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -10.152 -1.427 -9.159 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.291 -2.719 -8.830 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.859 -1.481 -6.302 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.570 -0.642 -5.346 1.00 1.00 C ATOM 1317 C GLN A 84 -11.698 0.517 -4.843 1.00 1.00 C ATOM 1318 O GLN A 84 -12.231 1.577 -4.552 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.104 -1.508 -4.195 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.248 -2.441 -4.636 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.597 -1.717 -4.702 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.754 -0.724 -5.416 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.599 -2.179 -3.980 1.00 1.00 N ATOM 0 H GLN A 84 -11.685 -2.431 -5.975 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.419 -0.181 -5.851 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.289 -2.106 -3.787 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.457 -0.861 -3.392 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.015 -2.860 -5.615 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.321 -3.277 -3.940 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -16.466 -3.001 -3.390 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -17.507 -1.715 -4.011 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.373 0.369 -4.802 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.410 1.387 -4.384 1.00 1.00 C ATOM 1334 C LEU A 85 -9.401 2.510 -5.417 1.00 1.00 C ATOM 1335 O LEU A 85 -9.445 3.694 -5.069 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.021 0.722 -4.245 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.961 1.412 -3.386 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.475 1.710 -1.989 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.807 0.424 -3.178 1.00 1.00 C ATOM 0 H LEU A 85 -9.922 -0.505 -5.072 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.681 1.818 -3.420 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.173 -0.280 -3.842 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.609 0.604 -5.247 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.675 2.334 -3.892 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.692 2.200 -1.410 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.343 2.366 -2.053 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.759 0.778 -1.499 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -5.034 0.891 -2.567 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -6.178 -0.468 -2.674 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.387 0.147 -4.145 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.386 2.128 -6.701 1.00 1.00 N ATOM 1352 CA GLN A 86 -9.485 3.063 -7.808 1.00 1.00 C ATOM 1353 C GLN A 86 -10.795 3.843 -7.669 1.00 1.00 C ATOM 1354 O GLN A 86 -10.754 5.071 -7.706 1.00 1.00 O ATOM 1355 CB GLN A 86 -9.408 2.323 -9.155 1.00 1.00 C ATOM 1356 CG GLN A 86 -9.219 3.274 -10.344 1.00 1.00 C ATOM 1357 CD GLN A 86 -7.777 3.746 -10.519 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -6.934 2.999 -11.008 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -7.477 4.991 -10.205 1.00 1.00 N ATOM 0 H GLN A 86 -9.304 1.154 -6.993 1.00 1.00 H new ATOM 0 HA GLN A 86 -8.648 3.761 -7.783 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -8.581 1.613 -9.128 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -10.320 1.744 -9.299 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -9.543 2.772 -11.256 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -9.864 4.142 -10.212 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -8.188 5.600 -9.799 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -6.534 5.345 -10.368 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.927 3.150 -7.473 1.00 1.00 N ATOM 1369 CA ALA A 87 -13.241 3.765 -7.291 1.00 1.00 C ATOM 1370 C ALA A 87 -13.238 4.723 -6.102 1.00 1.00 C ATOM 1371 O ALA A 87 -13.676 5.867 -6.222 1.00 1.00 O ATOM 1372 CB ALA A 87 -14.324 2.700 -7.075 1.00 1.00 C ATOM 0 H ALA A 87 -11.950 2.131 -7.437 1.00 1.00 H new ATOM 0 HA ALA A 87 -13.464 4.323 -8.201 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -15.291 3.186 -6.942 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -14.365 2.041 -7.943 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -14.087 2.115 -6.186 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.744 4.266 -4.954 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.693 5.018 -3.714 1.00 1.00 C ATOM 1380 C ALA A 88 -11.805 6.259 -3.844 1.00 1.00 C ATOM 1381 O ALA A 88 -12.037 7.225 -3.121 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.238 4.090 -2.587 1.00 1.00 C ATOM 0 H ALA A 88 -12.355 3.327 -4.864 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.689 5.390 -3.475 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.197 4.647 -1.651 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.944 3.265 -2.488 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.249 3.695 -2.818 1.00 1.00 H new ATOM 1388 N THR A 89 -10.836 6.267 -4.769 1.00 1.00 N ATOM 1389 CA THR A 89 -10.005 7.439 -5.047 1.00 1.00 C ATOM 1390 C THR A 89 -10.523 8.224 -6.276 1.00 1.00 C ATOM 1391 O THR A 89 -10.004 9.300 -6.581 1.00 1.00 O ATOM 1392 CB THR A 89 -8.533 7.005 -5.212 1.00 1.00 C ATOM 1393 OG1 THR A 89 -8.169 5.988 -4.291 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.566 8.177 -4.969 1.00 1.00 C ATOM 0 H THR A 89 -10.608 5.457 -5.346 1.00 1.00 H new ATOM 0 HA THR A 89 -10.066 8.123 -4.201 1.00 1.00 H new ATOM 0 HB THR A 89 -8.456 6.639 -6.236 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.585 5.142 -4.557 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.539 7.833 -5.094 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.772 8.973 -5.685 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.701 8.556 -3.956 1.00 1.00 H new ATOM 1402 N HIS A 90 -11.546 7.730 -6.993 1.00 1.00 N ATOM 1403 CA HIS A 90 -12.167 8.345 -8.168 1.00 1.00 C ATOM 1404 C HIS A 90 -13.145 9.456 -7.750 1.00 1.00 C ATOM 1405 O HIS A 90 -14.247 9.581 -8.296 1.00 1.00 O ATOM 1406 CB HIS A 90 -12.832 7.266 -9.053 1.00 1.00 C ATOM 1407 CG HIS A 90 -13.345 7.737 -10.394 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -13.187 8.990 -10.945 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -14.229 7.052 -11.183 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -14.001 9.083 -12.000 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -14.659 7.928 -12.187 1.00 1.00 N ATOM 0 H HIS A 90 -11.983 6.841 -6.751 1.00 1.00 H new ATOM 0 HA HIS A 90 -11.394 8.821 -8.772 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -12.110 6.467 -9.222 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -13.664 6.832 -8.499 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -14.538 6.025 -11.055 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -14.114 9.963 -12.616 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -15.340 7.727 -12.919 1.00 1.00 H new ATOM 1419 N GLN A 91 -12.772 10.269 -6.770 1.00 1.00 N ATOM 1420 CA GLN A 91 -13.561 11.391 -6.310 1.00 1.00 C ATOM 1421 C GLN A 91 -12.568 12.392 -5.747 1.00 1.00 C ATOM 1422 O GLN A 91 -11.551 12.645 -6.436 1.00 1.00 O ATOM 1423 CB GLN A 91 -14.601 10.870 -5.304 1.00 1.00 C ATOM 1424 CG GLN A 91 -15.785 11.826 -5.146 1.00 1.00 C ATOM 1425 CD GLN A 91 -16.662 11.339 -4.003 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -17.478 10.435 -4.170 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -16.466 11.880 -2.815 1.00 1.00 N ATOM 1428 OXT GLN A 91 -12.748 12.855 -4.603 1.00 1.00 O ATOM 0 H GLN A 91 -11.892 10.159 -6.266 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.137 11.892 -7.088 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.964 9.896 -5.632 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -14.124 10.723 -4.335 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -15.429 12.836 -4.944 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -16.361 11.869 -6.071 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -15.783 12.629 -2.702 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -16.998 11.549 -2.010 1.00 1.00 H new TER 1437 GLN A 91