USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 431 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 27 SER OG : rot 47:sc= 0.12 USER MOD Set 1.2: A 33 SER OG : rot -28:sc= 0.443 USER MOD Single : A 6 GLN : amide:sc= -0.0226 K(o=-0.023,f=-0.55) USER MOD Single : A 7 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.15) USER MOD Single : A 8 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.31) USER MOD Single : A 13 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.12) USER MOD Single : A 26 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.5) USER MOD Single : A 37 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.1) USER MOD Single : A 45 SER OG : rot 87:sc= 1.27 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0299 USER MOD Single : A 62 THR OG1 : rot -30:sc= 0.155 USER MOD Single : A 65 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.037) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= -0.0104 (180deg=-0.205) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 65:sc= 0.876 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 1.814 -10.592 13.067 1.00 0.00 N ATOM 2 CA GLN A 6 1.038 -9.372 12.878 1.00 0.00 C ATOM 3 C GLN A 6 1.851 -8.157 13.308 1.00 0.00 C ATOM 4 O GLN A 6 1.500 -7.018 12.998 1.00 0.00 O ATOM 5 CB GLN A 6 -0.255 -9.441 13.695 1.00 0.00 C ATOM 6 CG GLN A 6 0.086 -9.570 15.181 1.00 0.00 C ATOM 7 CD GLN A 6 -1.152 -9.992 15.964 1.00 0.00 C ATOM 8 OE1 GLN A 6 -1.855 -10.920 15.563 1.00 0.00 O ATOM 9 NE2 GLN A 6 -1.462 -9.364 17.065 1.00 0.00 N ATOM 0 HA GLN A 6 0.791 -9.278 11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.853 -8.546 13.525 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.856 -10.292 13.374 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.881 -10.303 15.318 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.460 -8.619 15.561 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.878 -8.596 17.395 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.288 -9.642 17.595 1.00 0.00 H new ATOM 18 N GLN A 7 2.942 -8.411 14.023 1.00 0.00 N ATOM 19 CA GLN A 7 3.805 -7.336 14.492 1.00 0.00 C ATOM 20 C GLN A 7 4.080 -6.344 13.367 1.00 0.00 C ATOM 21 O GLN A 7 3.753 -5.164 13.474 1.00 0.00 O ATOM 22 CB GLN A 7 5.127 -7.915 15.001 1.00 0.00 C ATOM 23 CG GLN A 7 4.844 -8.979 16.064 1.00 0.00 C ATOM 24 CD GLN A 7 4.108 -8.354 17.245 1.00 0.00 C ATOM 25 OE1 GLN A 7 3.059 -8.849 17.656 1.00 0.00 O ATOM 26 NE2 GLN A 7 4.597 -7.288 17.818 1.00 0.00 N ATOM 0 H GLN A 7 3.247 -9.347 14.289 1.00 0.00 H new ATOM 0 HA GLN A 7 3.300 -6.815 15.305 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.687 -8.352 14.174 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.746 -7.122 15.421 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.245 -9.782 15.636 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.779 -9.425 16.402 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.467 -6.879 17.476 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.110 -6.864 18.607 1.00 0.00 H new ATOM 35 N GLN A 8 4.682 -6.832 12.288 1.00 0.00 N ATOM 36 CA GLN A 8 4.995 -5.977 11.148 1.00 0.00 C ATOM 37 C GLN A 8 3.791 -5.117 10.774 1.00 0.00 C ATOM 38 O GLN A 8 3.943 -3.974 10.342 1.00 0.00 O ATOM 39 CB GLN A 8 5.406 -6.837 9.948 1.00 0.00 C ATOM 40 CG GLN A 8 6.872 -7.255 10.091 1.00 0.00 C ATOM 41 CD GLN A 8 7.785 -6.091 9.719 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.242 -5.998 8.580 1.00 0.00 O ATOM 43 NE2 GLN A 8 8.079 -5.191 10.618 1.00 0.00 N ATOM 0 H GLN A 8 4.961 -7.807 12.178 1.00 0.00 H new ATOM 0 HA GLN A 8 5.821 -5.322 11.425 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.770 -7.720 9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.266 -6.278 9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.070 -7.571 11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.079 -8.110 9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.699 -5.270 11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.688 -4.409 10.377 1.00 0.00 H new ATOM 52 N ALA A 9 2.595 -5.674 10.940 1.00 0.00 N ATOM 53 CA ALA A 9 1.374 -4.948 10.611 1.00 0.00 C ATOM 54 C ALA A 9 1.143 -3.802 11.593 1.00 0.00 C ATOM 55 O ALA A 9 1.171 -2.632 11.212 1.00 0.00 O ATOM 56 CB ALA A 9 0.175 -5.900 10.641 1.00 0.00 C ATOM 0 H ALA A 9 2.446 -6.618 11.297 1.00 0.00 H new ATOM 0 HA ALA A 9 1.483 -4.532 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.733 -5.350 10.394 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.325 -6.697 9.913 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.078 -6.332 11.637 1.00 0.00 H new ATOM 62 N VAL A 10 0.907 -4.146 12.856 1.00 0.00 N ATOM 63 CA VAL A 10 0.667 -3.132 13.878 1.00 0.00 C ATOM 64 C VAL A 10 1.877 -2.213 14.022 1.00 0.00 C ATOM 65 O VAL A 10 1.738 -1.041 14.369 1.00 0.00 O ATOM 66 CB VAL A 10 0.360 -3.802 15.220 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.452 -4.822 15.549 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.305 -2.742 16.323 1.00 0.00 C ATOM 0 H VAL A 10 0.877 -5.108 13.194 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.190 -2.532 13.572 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.602 -4.310 15.155 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.230 -5.297 16.505 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.489 -5.580 14.767 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.416 -4.316 15.610 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.086 -3.221 17.277 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.266 -2.231 16.385 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.477 -2.018 16.093 1.00 0.00 H new ATOM 78 N LEU A 11 3.063 -2.750 13.752 1.00 0.00 N ATOM 79 CA LEU A 11 4.286 -1.961 13.856 1.00 0.00 C ATOM 80 C LEU A 11 4.308 -0.873 12.787 1.00 0.00 C ATOM 81 O LEU A 11 4.389 0.316 13.099 1.00 0.00 O ATOM 82 CB LEU A 11 5.512 -2.865 13.692 1.00 0.00 C ATOM 83 CG LEU A 11 5.745 -3.673 14.976 1.00 0.00 C ATOM 84 CD1 LEU A 11 6.831 -4.721 14.721 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.192 -2.740 16.113 1.00 0.00 C ATOM 0 H LEU A 11 3.203 -3.718 13.462 1.00 0.00 H new ATOM 0 HA LEU A 11 4.312 -1.493 14.840 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.366 -3.540 12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.392 -2.261 13.468 1.00 0.00 H new ATOM 0 HG LEU A 11 4.816 -4.164 15.265 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.001 -5.298 15.630 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.511 -5.389 13.921 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.756 -4.223 14.430 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.355 -3.323 17.019 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.119 -2.241 15.831 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.419 -1.993 16.296 1.00 0.00 H new ATOM 97 N GLU A 12 4.235 -1.287 11.526 1.00 0.00 N ATOM 98 CA GLU A 12 4.246 -0.338 10.419 1.00 0.00 C ATOM 99 C GLU A 12 3.047 0.602 10.507 1.00 0.00 C ATOM 100 O GLU A 12 3.140 1.781 10.162 1.00 0.00 O ATOM 101 CB GLU A 12 4.212 -1.089 9.087 1.00 0.00 C ATOM 102 CG GLU A 12 5.566 -1.757 8.842 1.00 0.00 C ATOM 103 CD GLU A 12 5.581 -2.414 7.466 1.00 0.00 C ATOM 104 OE1 GLU A 12 5.042 -3.502 7.344 1.00 0.00 O ATOM 105 OE2 GLU A 12 6.132 -1.820 6.553 1.00 0.00 O ATOM 0 H GLU A 12 4.168 -2.266 11.247 1.00 0.00 H new ATOM 0 HA GLU A 12 5.161 0.252 10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.422 -1.840 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.983 -0.399 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.364 -1.017 8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.757 -2.504 9.613 1.00 0.00 H new ATOM 112 N GLN A 13 1.920 0.070 10.969 1.00 0.00 N ATOM 113 CA GLN A 13 0.706 0.867 11.097 1.00 0.00 C ATOM 114 C GLN A 13 0.840 1.876 12.232 1.00 0.00 C ATOM 115 O GLN A 13 0.357 3.004 12.131 1.00 0.00 O ATOM 116 CB GLN A 13 -0.492 -0.048 11.362 1.00 0.00 C ATOM 117 CG GLN A 13 -1.790 0.725 11.119 1.00 0.00 C ATOM 118 CD GLN A 13 -2.023 0.893 9.622 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.414 -0.056 8.943 1.00 0.00 O ATOM 120 NE2 GLN A 13 -1.804 2.052 9.063 1.00 0.00 N ATOM 0 H GLN A 13 1.822 -0.903 11.259 1.00 0.00 H new ATOM 0 HA GLN A 13 0.551 1.409 10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.448 -0.920 10.709 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.462 -0.416 12.388 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.629 0.194 11.569 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.737 1.702 11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.480 2.837 9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.957 2.172 8.062 1.00 0.00 H new ATOM 129 N GLU A 14 1.496 1.464 13.312 1.00 0.00 N ATOM 130 CA GLU A 14 1.683 2.345 14.460 1.00 0.00 C ATOM 131 C GLU A 14 2.603 3.507 14.097 1.00 0.00 C ATOM 132 O GLU A 14 2.227 4.671 14.226 1.00 0.00 O ATOM 133 CB GLU A 14 2.278 1.558 15.633 1.00 0.00 C ATOM 134 CG GLU A 14 1.158 0.842 16.395 1.00 0.00 C ATOM 135 CD GLU A 14 0.421 1.832 17.290 1.00 0.00 C ATOM 136 OE1 GLU A 14 1.084 2.643 17.916 1.00 0.00 O ATOM 137 OE2 GLU A 14 -0.797 1.764 17.339 1.00 0.00 O ATOM 0 H GLU A 14 1.904 0.535 13.417 1.00 0.00 H new ATOM 0 HA GLU A 14 0.712 2.745 14.752 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.003 0.832 15.266 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.813 2.232 16.302 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.461 0.387 15.691 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.575 0.035 16.997 1.00 0.00 H new ATOM 144 N ARG A 15 3.810 3.184 13.644 1.00 0.00 N ATOM 145 CA ARG A 15 4.768 4.216 13.268 1.00 0.00 C ATOM 146 C ARG A 15 4.191 5.101 12.168 1.00 0.00 C ATOM 147 O ARG A 15 4.323 6.324 12.210 1.00 0.00 O ATOM 148 CB ARG A 15 6.075 3.576 12.791 1.00 0.00 C ATOM 149 CG ARG A 15 5.849 2.892 11.443 1.00 0.00 C ATOM 150 CD ARG A 15 7.044 1.991 11.122 1.00 0.00 C ATOM 151 NE ARG A 15 8.292 2.719 11.323 1.00 0.00 N ATOM 152 CZ ARG A 15 9.455 2.080 11.401 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.493 0.780 11.296 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.558 2.753 11.581 1.00 0.00 N ATOM 0 H ARG A 15 4.145 2.227 13.529 1.00 0.00 H new ATOM 0 HA ARG A 15 4.974 4.832 14.143 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.851 4.336 12.699 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.425 2.850 13.525 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.933 2.303 11.471 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.723 3.640 10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.024 1.107 11.759 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.980 1.643 10.091 1.00 0.00 H new ATOM 0 HE ARG A 15 8.272 3.735 11.405 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.630 0.254 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.385 0.289 11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.528 3.769 11.662 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.450 2.263 11.641 1.00 0.00 H new ATOM 168 N ARG A 16 3.545 4.476 11.186 1.00 0.00 N ATOM 169 CA ARG A 16 2.947 5.226 10.088 1.00 0.00 C ATOM 170 C ARG A 16 1.791 6.079 10.598 1.00 0.00 C ATOM 171 O ARG A 16 1.752 7.289 10.374 1.00 0.00 O ATOM 172 CB ARG A 16 2.441 4.265 9.008 1.00 0.00 C ATOM 173 CG ARG A 16 1.702 5.057 7.925 1.00 0.00 C ATOM 174 CD ARG A 16 1.561 4.199 6.665 1.00 0.00 C ATOM 175 NE ARG A 16 2.780 4.270 5.866 1.00 0.00 N ATOM 176 CZ ARG A 16 2.764 4.019 4.562 1.00 0.00 C ATOM 177 NH1 ARG A 16 1.644 3.700 3.973 1.00 0.00 N ATOM 178 NH2 ARG A 16 3.867 4.092 3.868 1.00 0.00 N ATOM 0 H ARG A 16 3.424 3.465 11.129 1.00 0.00 H new ATOM 0 HA ARG A 16 3.707 5.879 9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.278 3.721 8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.775 3.523 9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.718 5.355 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.247 5.972 7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.359 3.164 6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.711 4.543 6.076 1.00 0.00 H new ATOM 0 HE ARG A 16 3.661 4.517 6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.781 3.644 4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.631 3.507 2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.743 4.342 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.853 3.899 2.867 1.00 0.00 H new ATOM 192 N ASP A 17 0.850 5.440 11.289 1.00 0.00 N ATOM 193 CA ASP A 17 -0.301 6.154 11.830 1.00 0.00 C ATOM 194 C ASP A 17 0.151 7.421 12.546 1.00 0.00 C ATOM 195 O ASP A 17 -0.433 8.490 12.367 1.00 0.00 O ATOM 196 CB ASP A 17 -1.063 5.254 12.805 1.00 0.00 C ATOM 197 CG ASP A 17 -2.173 6.047 13.489 1.00 0.00 C ATOM 198 OD1 ASP A 17 -1.880 6.721 14.462 1.00 0.00 O ATOM 199 OD2 ASP A 17 -3.300 5.967 13.028 1.00 0.00 O ATOM 0 H ASP A 17 0.862 4.439 11.486 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.959 6.430 11.006 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.488 4.404 12.272 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.379 4.852 13.552 1.00 0.00 H new ATOM 204 N ARG A 18 1.197 7.296 13.356 1.00 0.00 N ATOM 205 CA ARG A 18 1.722 8.439 14.092 1.00 0.00 C ATOM 206 C ARG A 18 2.262 9.488 13.125 1.00 0.00 C ATOM 207 O ARG A 18 1.852 10.649 13.161 1.00 0.00 O ATOM 208 CB ARG A 18 2.839 7.986 15.036 1.00 0.00 C ATOM 209 CG ARG A 18 2.229 7.325 16.275 1.00 0.00 C ATOM 210 CD ARG A 18 3.309 6.538 17.023 1.00 0.00 C ATOM 211 NE ARG A 18 2.921 6.351 18.417 1.00 0.00 N ATOM 212 CZ ARG A 18 3.141 7.297 19.325 1.00 0.00 C ATOM 213 NH1 ARG A 18 3.713 8.417 18.975 1.00 0.00 N ATOM 214 NH2 ARG A 18 2.785 7.107 20.566 1.00 0.00 N ATOM 0 H ARG A 18 1.695 6.421 13.519 1.00 0.00 H new ATOM 0 HA ARG A 18 0.913 8.878 14.676 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.498 7.285 14.525 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.449 8.840 15.330 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.799 8.083 16.929 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.417 6.659 15.982 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.459 5.569 16.547 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.259 7.070 16.970 1.00 0.00 H new ATOM 0 HE ARG A 18 2.473 5.479 18.700 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.991 8.566 18.005 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.882 9.143 19.671 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.338 6.232 20.840 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.954 7.833 21.262 1.00 0.00 H new ATOM 228 N GLU A 19 3.183 9.072 12.261 1.00 0.00 N ATOM 229 CA GLU A 19 3.772 9.984 11.287 1.00 0.00 C ATOM 230 C GLU A 19 2.694 10.858 10.653 1.00 0.00 C ATOM 231 O GLU A 19 2.722 12.082 10.774 1.00 0.00 O ATOM 232 CB GLU A 19 4.496 9.188 10.198 1.00 0.00 C ATOM 233 CG GLU A 19 5.812 8.639 10.753 1.00 0.00 C ATOM 234 CD GLU A 19 6.844 9.757 10.850 1.00 0.00 C ATOM 235 OE1 GLU A 19 7.359 10.151 9.815 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.105 10.202 11.955 1.00 0.00 O ATOM 0 H GLU A 19 3.536 8.116 12.215 1.00 0.00 H new ATOM 0 HA GLU A 19 4.487 10.626 11.802 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.866 8.369 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.691 9.826 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.646 8.200 11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.185 7.844 10.107 1.00 0.00 H new ATOM 243 N LEU A 20 1.742 10.219 9.977 1.00 0.00 N ATOM 244 CA LEU A 20 0.659 10.950 9.330 1.00 0.00 C ATOM 245 C LEU A 20 -0.099 11.790 10.354 1.00 0.00 C ATOM 246 O LEU A 20 -0.138 13.016 10.259 1.00 0.00 O ATOM 247 CB LEU A 20 -0.303 9.968 8.652 1.00 0.00 C ATOM 248 CG LEU A 20 0.257 9.557 7.288 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.688 9.041 7.454 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.617 8.450 6.693 1.00 0.00 C ATOM 0 H LEU A 20 1.699 9.206 9.864 1.00 0.00 H new ATOM 0 HA LEU A 20 1.086 11.612 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.441 9.088 9.279 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.283 10.430 8.530 1.00 0.00 H new ATOM 0 HG LEU A 20 0.259 10.420 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.085 8.749 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.311 9.828 7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.689 8.178 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.220 8.156 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.618 7.589 7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.636 8.817 6.572 1.00 0.00 H new ATOM 262 N ALA A 21 -0.701 11.121 11.333 1.00 0.00 N ATOM 263 CA ALA A 21 -1.454 11.817 12.370 1.00 0.00 C ATOM 264 C ALA A 21 -0.679 13.031 12.872 1.00 0.00 C ATOM 265 O ALA A 21 -1.267 14.055 13.217 1.00 0.00 O ATOM 266 CB ALA A 21 -1.734 10.869 13.538 1.00 0.00 C ATOM 0 H ALA A 21 -0.682 10.106 11.430 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.398 12.155 11.942 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.297 11.397 14.308 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.314 10.017 13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.790 10.517 13.955 1.00 0.00 H new ATOM 272 N LEU A 22 0.644 12.908 12.905 1.00 0.00 N ATOM 273 CA LEU A 22 1.490 14.003 13.363 1.00 0.00 C ATOM 274 C LEU A 22 1.472 15.143 12.350 1.00 0.00 C ATOM 275 O LEU A 22 1.289 16.305 12.711 1.00 0.00 O ATOM 276 CB LEU A 22 2.929 13.511 13.557 1.00 0.00 C ATOM 277 CG LEU A 22 3.710 14.511 14.421 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.526 14.170 15.903 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.199 14.438 14.069 1.00 0.00 C ATOM 0 H LEU A 22 1.150 12.068 12.623 1.00 0.00 H new ATOM 0 HA LEU A 22 1.103 14.366 14.315 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.926 12.530 14.033 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.417 13.395 12.589 1.00 0.00 H new ATOM 0 HG LEU A 22 3.336 15.517 14.230 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.082 14.883 16.512 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.468 14.222 16.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.897 13.163 16.093 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.753 15.148 14.683 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.568 13.430 14.257 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.336 14.684 13.016 1.00 0.00 H new ATOM 291 N ARG A 23 1.654 14.798 11.080 1.00 0.00 N ATOM 292 CA ARG A 23 1.648 15.799 10.021 1.00 0.00 C ATOM 293 C ARG A 23 0.323 16.552 10.021 1.00 0.00 C ATOM 294 O ARG A 23 0.290 17.774 10.169 1.00 0.00 O ATOM 295 CB ARG A 23 1.854 15.122 8.663 1.00 0.00 C ATOM 296 CG ARG A 23 3.351 14.923 8.407 1.00 0.00 C ATOM 297 CD ARG A 23 3.546 13.943 7.249 1.00 0.00 C ATOM 298 NE ARG A 23 2.683 14.305 6.130 1.00 0.00 N ATOM 299 CZ ARG A 23 2.859 13.771 4.926 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.816 12.906 4.730 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.073 14.110 3.940 1.00 0.00 N ATOM 0 H ARG A 23 1.806 13.841 10.761 1.00 0.00 H new ATOM 0 HA ARG A 23 2.460 16.504 10.199 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.341 14.160 8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.418 15.732 7.872 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.820 15.878 8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.837 14.542 9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.588 13.949 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.319 12.929 7.579 1.00 0.00 H new ATOM 0 HE ARG A 23 1.932 14.980 6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.429 12.640 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.951 12.496 3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.324 14.785 4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.208 13.700 3.016 1.00 0.00 H new ATOM 315 N ILE A 24 -0.768 15.812 9.861 1.00 0.00 N ATOM 316 CA ILE A 24 -2.091 16.421 9.850 1.00 0.00 C ATOM 317 C ILE A 24 -2.278 17.282 11.093 1.00 0.00 C ATOM 318 O ILE A 24 -2.531 18.482 10.996 1.00 0.00 O ATOM 319 CB ILE A 24 -3.169 15.338 9.807 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.834 14.332 8.702 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.527 15.981 9.519 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.997 13.352 8.529 1.00 0.00 C ATOM 0 H ILE A 24 -0.763 14.799 9.738 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.181 17.048 8.963 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.209 14.824 10.767 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.644 14.856 7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.923 13.790 8.954 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.296 15.209 9.488 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.764 16.698 10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.490 16.495 8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.756 12.637 7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.166 12.819 9.465 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.898 13.901 8.257 1.00 0.00 H new ATOM 334 N ALA A 25 -2.143 16.660 12.259 1.00 0.00 N ATOM 335 CA ALA A 25 -2.295 17.382 13.517 1.00 0.00 C ATOM 336 C ALA A 25 -1.525 18.697 13.467 1.00 0.00 C ATOM 337 O ALA A 25 -2.030 19.741 13.882 1.00 0.00 O ATOM 338 CB ALA A 25 -1.777 16.528 14.675 1.00 0.00 C ATOM 0 H ALA A 25 -1.931 15.667 12.360 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.353 17.595 13.671 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.894 17.074 15.611 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.344 15.599 14.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.723 16.301 14.517 1.00 0.00 H new ATOM 344 N GLN A 26 -0.302 18.637 12.953 1.00 0.00 N ATOM 345 CA GLN A 26 0.531 19.828 12.847 1.00 0.00 C ATOM 346 C GLN A 26 -0.011 20.764 11.773 1.00 0.00 C ATOM 347 O GLN A 26 0.236 21.970 11.805 1.00 0.00 O ATOM 348 CB GLN A 26 1.968 19.431 12.505 1.00 0.00 C ATOM 349 CG GLN A 26 2.630 18.794 13.727 1.00 0.00 C ATOM 350 CD GLN A 26 3.906 18.072 13.313 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.996 18.422 13.769 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.839 17.079 12.468 1.00 0.00 N ATOM 0 H GLN A 26 0.132 17.782 12.605 1.00 0.00 H new ATOM 0 HA GLN A 26 0.517 20.347 13.806 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.973 18.731 11.670 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.533 20.308 12.189 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.860 19.561 14.467 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.942 18.092 14.199 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.936 16.790 12.091 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.689 16.592 12.185 1.00 0.00 H new ATOM 361 N SER A 27 -0.756 20.203 10.825 1.00 0.00 N ATOM 362 CA SER A 27 -1.331 21.003 9.749 1.00 0.00 C ATOM 363 C SER A 27 -2.511 21.811 10.270 1.00 0.00 C ATOM 364 O SER A 27 -2.598 23.019 10.046 1.00 0.00 O ATOM 365 CB SER A 27 -1.789 20.096 8.608 1.00 0.00 C ATOM 366 OG SER A 27 -2.081 20.891 7.466 1.00 0.00 O ATOM 0 H SER A 27 -0.974 19.208 10.780 1.00 0.00 H new ATOM 0 HA SER A 27 -0.569 21.687 9.376 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.012 19.370 8.371 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.672 19.532 8.908 1.00 0.00 H new ATOM 0 HG SER A 27 -1.355 21.533 7.320 1.00 0.00 H new ATOM 372 N GLU A 28 -3.412 21.138 10.976 1.00 0.00 N ATOM 373 CA GLU A 28 -4.578 21.806 11.536 1.00 0.00 C ATOM 374 C GLU A 28 -4.146 22.757 12.644 1.00 0.00 C ATOM 375 O GLU A 28 -4.743 23.815 12.840 1.00 0.00 O ATOM 376 CB GLU A 28 -5.559 20.771 12.101 1.00 0.00 C ATOM 377 CG GLU A 28 -5.451 19.468 11.304 1.00 0.00 C ATOM 378 CD GLU A 28 -6.768 18.701 11.369 1.00 0.00 C ATOM 379 OE1 GLU A 28 -7.490 18.883 12.336 1.00 0.00 O ATOM 380 OE2 GLU A 28 -7.036 17.944 10.451 1.00 0.00 O ATOM 0 H GLU A 28 -3.358 20.139 11.173 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.072 22.371 10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.340 20.585 13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.578 21.156 12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.200 19.688 10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.644 18.854 11.704 1.00 0.00 H new ATOM 387 N ALA A 29 -3.104 22.364 13.368 1.00 0.00 N ATOM 388 CA ALA A 29 -2.595 23.181 14.458 1.00 0.00 C ATOM 389 C ALA A 29 -1.892 24.422 13.916 1.00 0.00 C ATOM 390 O ALA A 29 -2.017 25.511 14.475 1.00 0.00 O ATOM 391 CB ALA A 29 -1.618 22.369 15.310 1.00 0.00 C ATOM 0 H ALA A 29 -2.599 21.490 13.220 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.438 23.495 15.074 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.242 22.989 16.124 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.131 21.500 15.723 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.784 22.038 14.691 1.00 0.00 H new ATOM 397 N GLU A 30 -1.151 24.249 12.824 1.00 0.00 N ATOM 398 CA GLU A 30 -0.431 25.363 12.214 1.00 0.00 C ATOM 399 C GLU A 30 -1.305 26.072 11.184 1.00 0.00 C ATOM 400 O GLU A 30 -1.093 27.245 10.889 1.00 0.00 O ATOM 401 CB GLU A 30 0.843 24.852 11.536 1.00 0.00 C ATOM 402 CG GLU A 30 1.807 24.318 12.597 1.00 0.00 C ATOM 403 CD GLU A 30 3.045 23.731 11.927 1.00 0.00 C ATOM 404 OE1 GLU A 30 3.749 24.480 11.271 1.00 0.00 O ATOM 405 OE2 GLU A 30 3.272 22.543 12.082 1.00 0.00 O ATOM 0 H GLU A 30 -1.034 23.355 12.347 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.169 26.072 12.999 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.598 24.065 10.823 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.315 25.656 10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.096 25.121 13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.313 23.555 13.199 1.00 0.00 H new ATOM 412 N LEU A 31 -2.282 25.346 10.645 1.00 0.00 N ATOM 413 CA LEU A 31 -3.201 25.889 9.639 1.00 0.00 C ATOM 414 C LEU A 31 -2.527 26.947 8.762 1.00 0.00 C ATOM 415 O LEU A 31 -3.192 27.836 8.232 1.00 0.00 O ATOM 416 CB LEU A 31 -4.447 26.487 10.312 1.00 0.00 C ATOM 417 CG LEU A 31 -4.053 27.609 11.287 1.00 0.00 C ATOM 418 CD1 LEU A 31 -5.175 28.649 11.351 1.00 0.00 C ATOM 419 CD2 LEU A 31 -3.824 27.026 12.689 1.00 0.00 C ATOM 0 H LEU A 31 -2.461 24.372 10.889 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.500 25.061 8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.124 26.879 9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.987 25.706 10.847 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.134 28.079 10.936 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.895 29.444 12.042 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.337 29.071 10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.093 28.173 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.545 27.826 13.375 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.740 26.551 13.039 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.024 26.287 12.649 1.00 0.00 H new ATOM 450 N SER A 33 0.374 25.742 6.769 1.00 0.00 N ATOM 451 CA SER A 33 1.009 24.941 5.727 1.00 0.00 C ATOM 452 C SER A 33 0.087 24.805 4.520 1.00 0.00 C ATOM 453 O SER A 33 -0.267 23.697 4.119 1.00 0.00 O ATOM 454 CB SER A 33 1.351 23.554 6.269 1.00 0.00 C ATOM 455 OG SER A 33 0.231 23.035 6.973 1.00 0.00 O ATOM 0 HA SER A 33 1.925 25.444 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.621 22.887 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.215 23.612 6.930 1.00 0.00 H new ATOM 0 HG SER A 33 -0.297 23.775 7.339 1.00 0.00 H new ATOM 461 N ASP A 34 -0.297 25.940 3.947 1.00 0.00 N ATOM 462 CA ASP A 34 -1.178 25.939 2.785 1.00 0.00 C ATOM 463 C ASP A 34 -0.614 25.043 1.688 1.00 0.00 C ATOM 464 O ASP A 34 -1.359 24.359 0.987 1.00 0.00 O ATOM 465 CB ASP A 34 -1.340 27.363 2.251 1.00 0.00 C ATOM 466 CG ASP A 34 -0.018 27.856 1.671 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.012 27.531 2.238 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.057 28.552 0.669 1.00 0.00 O ATOM 0 H ASP A 34 -0.014 26.867 4.265 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.151 25.553 3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.114 27.387 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.665 28.026 3.053 1.00 0.00 H new ATOM 473 N GLU A 35 0.707 25.053 1.546 1.00 0.00 N ATOM 474 CA GLU A 35 1.364 24.237 0.531 1.00 0.00 C ATOM 475 C GLU A 35 0.765 22.834 0.497 1.00 0.00 C ATOM 476 O GLU A 35 0.596 22.246 -0.571 1.00 0.00 O ATOM 477 CB GLU A 35 2.863 24.148 0.824 1.00 0.00 C ATOM 478 CG GLU A 35 3.527 23.197 -0.175 1.00 0.00 C ATOM 479 CD GLU A 35 5.039 23.393 -0.156 1.00 0.00 C ATOM 480 OE1 GLU A 35 5.513 24.107 0.712 1.00 0.00 O ATOM 481 OE2 GLU A 35 5.700 22.827 -1.011 1.00 0.00 O ATOM 0 H GLU A 35 1.340 25.613 2.117 1.00 0.00 H new ATOM 0 HA GLU A 35 1.210 24.707 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.316 25.137 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.024 23.793 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.283 22.165 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.141 23.382 -1.177 1.00 0.00 H new ATOM 488 N ALA A 36 0.444 22.305 1.674 1.00 0.00 N ATOM 489 CA ALA A 36 -0.136 20.971 1.766 1.00 0.00 C ATOM 490 C ALA A 36 -1.471 20.915 1.029 1.00 0.00 C ATOM 491 O ALA A 36 -1.672 20.074 0.153 1.00 0.00 O ATOM 492 CB ALA A 36 -0.345 20.592 3.234 1.00 0.00 C ATOM 0 H ALA A 36 0.575 22.775 2.570 1.00 0.00 H new ATOM 0 HA ALA A 36 0.552 20.264 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.779 19.594 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.614 20.603 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.019 21.309 3.703 1.00 0.00 H new ATOM 498 N GLN A 37 -2.378 21.817 1.389 1.00 0.00 N ATOM 499 CA GLN A 37 -3.690 21.861 0.754 1.00 0.00 C ATOM 500 C GLN A 37 -3.552 22.117 -0.743 1.00 0.00 C ATOM 501 O GLN A 37 -4.220 21.479 -1.556 1.00 0.00 O ATOM 502 CB GLN A 37 -4.541 22.964 1.387 1.00 0.00 C ATOM 503 CG GLN A 37 -4.426 22.889 2.911 1.00 0.00 C ATOM 504 CD GLN A 37 -4.771 21.484 3.392 1.00 0.00 C ATOM 505 OE1 GLN A 37 -5.660 20.837 2.836 1.00 0.00 O ATOM 506 NE2 GLN A 37 -4.119 20.969 4.398 1.00 0.00 N ATOM 0 H GLN A 37 -2.231 22.522 2.111 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.177 20.897 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.209 23.941 1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.582 22.853 1.085 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.414 23.150 3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.097 23.615 3.371 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.383 21.506 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.345 20.030 4.725 1.00 0.00 H new ATOM 515 N ALA A 38 -2.681 23.057 -1.099 1.00 0.00 N ATOM 516 CA ALA A 38 -2.463 23.390 -2.502 1.00 0.00 C ATOM 517 C ALA A 38 -2.018 22.157 -3.282 1.00 0.00 C ATOM 518 O ALA A 38 -2.596 21.825 -4.318 1.00 0.00 O ATOM 519 CB ALA A 38 -1.399 24.483 -2.620 1.00 0.00 C ATOM 0 H ALA A 38 -2.119 23.597 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.402 23.751 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.242 24.726 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.732 25.374 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.464 24.129 -2.186 1.00 0.00 H new ATOM 525 N ASP A 39 -0.989 21.484 -2.780 1.00 0.00 N ATOM 526 CA ASP A 39 -0.475 20.290 -3.439 1.00 0.00 C ATOM 527 C ASP A 39 -1.568 19.234 -3.562 1.00 0.00 C ATOM 528 O ASP A 39 -1.857 18.749 -4.657 1.00 0.00 O ATOM 529 CB ASP A 39 0.702 19.720 -2.645 1.00 0.00 C ATOM 530 CG ASP A 39 1.930 20.608 -2.822 1.00 0.00 C ATOM 531 OD1 ASP A 39 2.251 20.920 -3.957 1.00 0.00 O ATOM 532 OD2 ASP A 39 2.530 20.961 -1.821 1.00 0.00 O ATOM 0 H ASP A 39 -0.497 21.743 -1.925 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.138 20.566 -4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.441 19.653 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.923 18.708 -2.983 1.00 0.00 H new ATOM 537 N LEU A 40 -2.173 18.880 -2.432 1.00 0.00 N ATOM 538 CA LEU A 40 -3.233 17.879 -2.427 1.00 0.00 C ATOM 539 C LEU A 40 -4.310 18.235 -3.448 1.00 0.00 C ATOM 540 O LEU A 40 -4.799 17.371 -4.175 1.00 0.00 O ATOM 541 CB LEU A 40 -3.859 17.787 -1.031 1.00 0.00 C ATOM 542 CG LEU A 40 -2.910 17.039 -0.083 1.00 0.00 C ATOM 543 CD1 LEU A 40 -3.167 17.486 1.358 1.00 0.00 C ATOM 544 CD2 LEU A 40 -3.154 15.529 -0.193 1.00 0.00 C ATOM 0 H LEU A 40 -1.949 19.268 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.799 16.915 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.059 18.787 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.816 17.269 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.879 17.263 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.493 16.954 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.992 18.559 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.199 17.264 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.479 15.001 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.186 15.306 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.971 15.205 -1.217 1.00 0.00 H new ATOM 556 N ALA A 41 -4.674 19.512 -3.496 1.00 0.00 N ATOM 557 CA ALA A 41 -5.694 19.971 -4.432 1.00 0.00 C ATOM 558 C ALA A 41 -5.189 19.867 -5.867 1.00 0.00 C ATOM 559 O ALA A 41 -5.907 19.412 -6.757 1.00 0.00 O ATOM 560 CB ALA A 41 -6.073 21.421 -4.125 1.00 0.00 C ATOM 0 H ALA A 41 -4.281 20.243 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.573 19.336 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.835 21.755 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.463 21.488 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.191 22.055 -4.217 1.00 0.00 H new ATOM 566 N LEU A 42 -3.948 20.290 -6.084 1.00 0.00 N ATOM 567 CA LEU A 42 -3.357 20.237 -7.417 1.00 0.00 C ATOM 568 C LEU A 42 -2.989 18.802 -7.780 1.00 0.00 C ATOM 569 O LEU A 42 -2.847 18.466 -8.955 1.00 0.00 O ATOM 570 CB LEU A 42 -2.105 21.116 -7.469 1.00 0.00 C ATOM 571 CG LEU A 42 -2.490 22.586 -7.252 1.00 0.00 C ATOM 572 CD1 LEU A 42 -1.280 23.361 -6.728 1.00 0.00 C ATOM 573 CD2 LEU A 42 -2.952 23.206 -8.576 1.00 0.00 C ATOM 0 H LEU A 42 -3.336 20.670 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.089 20.607 -8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.396 20.800 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.608 20.999 -8.432 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.302 22.637 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.555 24.405 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.953 22.929 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.469 23.303 -7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.224 24.249 -8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.144 23.150 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.817 22.660 -8.951 1.00 0.00 H new ATOM 585 N ARG A 43 -2.838 17.961 -6.762 1.00 0.00 N ATOM 586 CA ARG A 43 -2.487 16.563 -6.985 1.00 0.00 C ATOM 587 C ARG A 43 -3.712 15.768 -7.425 1.00 0.00 C ATOM 588 O ARG A 43 -3.657 15.015 -8.398 1.00 0.00 O ATOM 589 CB ARG A 43 -1.916 15.958 -5.701 1.00 0.00 C ATOM 590 CG ARG A 43 -1.383 14.553 -5.992 1.00 0.00 C ATOM 591 CD ARG A 43 -0.555 14.065 -4.803 1.00 0.00 C ATOM 592 NE ARG A 43 -1.416 13.831 -3.649 1.00 0.00 N ATOM 593 CZ ARG A 43 -0.933 13.311 -2.525 1.00 0.00 C ATOM 594 NH1 ARG A 43 0.332 12.999 -2.441 1.00 0.00 N ATOM 595 NH2 ARG A 43 -1.723 13.111 -1.506 1.00 0.00 N ATOM 0 H ARG A 43 -2.952 18.220 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.736 16.516 -7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.116 16.589 -5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.688 15.914 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.212 13.869 -6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.772 14.564 -6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.032 13.146 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.206 14.804 -4.553 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.406 14.071 -3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.950 13.154 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.703 12.600 -1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.712 13.354 -1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.352 12.712 -0.644 1.00 0.00 H new ATOM 609 N ARG A 44 -4.815 15.939 -6.704 1.00 0.00 N ATOM 610 CA ARG A 44 -6.046 15.230 -7.033 1.00 0.00 C ATOM 611 C ARG A 44 -6.662 15.791 -8.310 1.00 0.00 C ATOM 612 O ARG A 44 -7.351 15.081 -9.042 1.00 0.00 O ATOM 613 CB ARG A 44 -7.045 15.353 -5.881 1.00 0.00 C ATOM 614 CG ARG A 44 -7.487 16.810 -5.734 1.00 0.00 C ATOM 615 CD ARG A 44 -8.317 16.960 -4.459 1.00 0.00 C ATOM 616 NE ARG A 44 -9.612 16.308 -4.620 1.00 0.00 N ATOM 617 CZ ARG A 44 -10.600 16.520 -3.758 1.00 0.00 C ATOM 618 NH1 ARG A 44 -10.422 17.324 -2.745 1.00 0.00 N ATOM 619 NH2 ARG A 44 -11.750 15.926 -3.924 1.00 0.00 N ATOM 0 H ARG A 44 -4.882 16.557 -5.895 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.807 14.179 -7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.911 14.718 -6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.590 15.006 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.616 17.464 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.073 17.113 -6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.784 16.522 -3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.460 18.016 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.761 15.678 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.524 17.790 -2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.181 17.486 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.890 15.299 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.509 16.089 -3.262 1.00 0.00 H new ATOM 633 N SER A 45 -6.408 17.070 -8.571 1.00 0.00 N ATOM 634 CA SER A 45 -6.943 17.716 -9.764 1.00 0.00 C ATOM 635 C SER A 45 -6.262 17.174 -11.017 1.00 0.00 C ATOM 636 O SER A 45 -5.295 17.754 -11.510 1.00 0.00 O ATOM 637 CB SER A 45 -6.728 19.227 -9.679 1.00 0.00 C ATOM 638 OG SER A 45 -7.590 19.768 -8.686 1.00 0.00 O ATOM 0 H SER A 45 -5.840 17.675 -7.978 1.00 0.00 H new ATOM 0 HA SER A 45 -8.010 17.503 -9.823 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.689 19.445 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.931 19.690 -10.645 1.00 0.00 H new ATOM 0 HG SER A 45 -7.150 19.723 -7.811 1.00 0.00 H new ATOM 644 N LEU A 46 -6.772 16.056 -11.523 1.00 0.00 N ATOM 645 CA LEU A 46 -6.204 15.442 -12.719 1.00 0.00 C ATOM 646 C LEU A 46 -5.948 16.496 -13.793 1.00 0.00 C ATOM 647 O LEU A 46 -5.206 16.257 -14.745 1.00 0.00 O ATOM 648 CB LEU A 46 -7.163 14.375 -13.261 1.00 0.00 C ATOM 649 CG LEU A 46 -6.383 13.349 -14.099 1.00 0.00 C ATOM 650 CD1 LEU A 46 -5.837 12.245 -13.188 1.00 0.00 C ATOM 651 CD2 LEU A 46 -7.315 12.728 -15.144 1.00 0.00 C ATOM 0 H LEU A 46 -7.571 15.560 -11.128 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.255 14.976 -12.453 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.668 13.874 -12.435 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.936 14.844 -13.871 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.554 13.850 -14.599 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.285 11.520 -13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.172 12.683 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.665 11.745 -12.685 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.762 12.001 -15.738 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.145 12.231 -14.642 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.702 13.510 -15.797 1.00 0.00 H new ATOM 663 N ASP A 47 -6.568 17.661 -13.631 1.00 0.00 N ATOM 664 CA ASP A 47 -6.400 18.744 -14.594 1.00 0.00 C ATOM 665 C ASP A 47 -5.029 19.395 -14.435 1.00 0.00 C ATOM 666 O ASP A 47 -4.783 20.481 -14.960 1.00 0.00 O ATOM 667 CB ASP A 47 -7.493 19.795 -14.392 1.00 0.00 C ATOM 668 CG ASP A 47 -7.523 20.750 -15.580 1.00 0.00 C ATOM 669 OD1 ASP A 47 -6.749 21.694 -15.577 1.00 0.00 O ATOM 670 OD2 ASP A 47 -8.319 20.525 -16.477 1.00 0.00 O ATOM 0 H ASP A 47 -7.186 17.878 -12.849 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.477 18.328 -15.598 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.462 19.308 -14.282 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.309 20.351 -13.472 1.00 0.00 H new ATOM 675 N SER A 48 -4.142 18.725 -13.708 1.00 0.00 N ATOM 676 CA SER A 48 -2.797 19.248 -13.486 1.00 0.00 C ATOM 677 C SER A 48 -1.905 18.961 -14.689 1.00 0.00 C ATOM 678 O SER A 48 -0.956 19.697 -14.960 1.00 0.00 O ATOM 679 CB SER A 48 -2.191 18.614 -12.235 1.00 0.00 C ATOM 680 OG SER A 48 -2.393 17.207 -12.277 1.00 0.00 O ATOM 0 H SER A 48 -4.327 17.825 -13.265 1.00 0.00 H new ATOM 0 HA SER A 48 -2.865 20.327 -13.349 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.126 18.839 -12.179 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.653 19.033 -11.341 1.00 0.00 H new ATOM 0 HG SER A 48 -2.004 16.797 -11.477 1.00 0.00 H new ATOM 894 N THR A 62 -13.215 8.217 -18.883 1.00 0.00 N ATOM 895 CA THR A 62 -14.255 8.545 -17.912 1.00 0.00 C ATOM 896 C THR A 62 -14.111 7.684 -16.656 1.00 0.00 C ATOM 897 O THR A 62 -13.673 6.536 -16.733 1.00 0.00 O ATOM 898 CB THR A 62 -15.637 8.314 -18.532 1.00 0.00 C ATOM 899 OG1 THR A 62 -15.631 7.088 -19.251 1.00 0.00 O ATOM 900 CG2 THR A 62 -15.973 9.463 -19.483 1.00 0.00 C ATOM 0 HA THR A 62 -14.148 9.594 -17.634 1.00 0.00 H new ATOM 0 HB THR A 62 -16.387 8.271 -17.742 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.730 6.915 -19.594 1.00 0.00 H new ATOM 0 HG21 THR A 62 -16.956 9.296 -19.922 1.00 0.00 H new ATOM 0 HG22 THR A 62 -15.977 10.403 -18.931 1.00 0.00 H new ATOM 0 HG23 THR A 62 -15.225 9.511 -20.275 1.00 0.00 H new ATOM 908 N PRO A 63 -14.474 8.208 -15.510 1.00 0.00 N ATOM 909 CA PRO A 63 -14.385 7.461 -14.224 1.00 0.00 C ATOM 910 C PRO A 63 -14.833 6.008 -14.368 1.00 0.00 C ATOM 911 O PRO A 63 -14.142 5.088 -13.934 1.00 0.00 O ATOM 912 CB PRO A 63 -15.327 8.234 -13.299 1.00 0.00 C ATOM 913 CG PRO A 63 -15.319 9.638 -13.811 1.00 0.00 C ATOM 914 CD PRO A 63 -15.008 9.568 -15.312 1.00 0.00 C ATOM 0 HA PRO A 63 -13.362 7.403 -13.852 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.332 7.813 -13.321 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.986 8.191 -12.265 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.283 10.116 -13.639 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.570 10.234 -13.290 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.903 9.735 -15.912 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.282 10.327 -15.604 1.00 0.00 H new ATOM 922 N GLU A 64 -15.997 5.813 -14.980 1.00 0.00 N ATOM 923 CA GLU A 64 -16.532 4.470 -15.174 1.00 0.00 C ATOM 924 C GLU A 64 -15.520 3.589 -15.898 1.00 0.00 C ATOM 925 O GLU A 64 -15.170 2.509 -15.423 1.00 0.00 O ATOM 926 CB GLU A 64 -17.827 4.535 -15.985 1.00 0.00 C ATOM 927 CG GLU A 64 -18.575 3.206 -15.865 1.00 0.00 C ATOM 928 CD GLU A 64 -19.914 3.293 -16.591 1.00 0.00 C ATOM 929 OE1 GLU A 64 -19.943 3.856 -17.673 1.00 0.00 O ATOM 930 OE2 GLU A 64 -20.890 2.797 -16.054 1.00 0.00 O ATOM 0 H GLU A 64 -16.584 6.562 -15.348 1.00 0.00 H new ATOM 0 HA GLU A 64 -16.738 4.037 -14.195 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -18.454 5.350 -15.624 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.603 4.745 -17.031 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.974 2.401 -16.289 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -18.737 2.964 -14.815 1.00 0.00 H new ATOM 937 N GLN A 65 -15.054 4.057 -17.051 1.00 0.00 N ATOM 938 CA GLN A 65 -14.083 3.303 -17.834 1.00 0.00 C ATOM 939 C GLN A 65 -12.901 2.883 -16.964 1.00 0.00 C ATOM 940 O GLN A 65 -12.512 1.716 -16.952 1.00 0.00 O ATOM 941 CB GLN A 65 -13.584 4.155 -19.003 1.00 0.00 C ATOM 942 CG GLN A 65 -14.661 4.219 -20.088 1.00 0.00 C ATOM 943 CD GLN A 65 -14.137 4.986 -21.297 1.00 0.00 C ATOM 944 OE1 GLN A 65 -14.905 5.649 -21.993 1.00 0.00 O ATOM 945 NE2 GLN A 65 -12.867 4.933 -21.590 1.00 0.00 N ATOM 0 H GLN A 65 -15.331 4.949 -17.462 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.570 2.407 -18.219 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.342 5.160 -18.657 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.667 3.729 -19.411 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.951 3.211 -20.384 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.554 4.706 -19.697 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.233 4.383 -21.011 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.508 5.442 -22.398 1.00 0.00 H new ATOM 954 N MET A 66 -12.333 3.842 -16.240 1.00 0.00 N ATOM 955 CA MET A 66 -11.195 3.557 -15.373 1.00 0.00 C ATOM 956 C MET A 66 -11.579 2.548 -14.295 1.00 0.00 C ATOM 957 O MET A 66 -10.771 1.707 -13.903 1.00 0.00 O ATOM 958 CB MET A 66 -10.702 4.847 -14.711 1.00 0.00 C ATOM 959 CG MET A 66 -10.513 5.934 -15.773 1.00 0.00 C ATOM 960 SD MET A 66 -9.319 7.157 -15.176 1.00 0.00 S ATOM 961 CE MET A 66 -10.464 8.115 -14.154 1.00 0.00 C ATOM 0 H MET A 66 -12.639 4.815 -16.236 1.00 0.00 H new ATOM 0 HA MET A 66 -10.398 3.134 -15.984 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.420 5.179 -13.961 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.761 4.664 -14.193 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.161 5.491 -16.704 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.466 6.416 -15.990 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.928 8.938 -13.681 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.263 8.514 -14.779 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.892 7.471 -13.385 1.00 0.00 H new ATOM 971 N ALA A 67 -12.816 2.640 -13.819 1.00 0.00 N ATOM 972 CA ALA A 67 -13.296 1.732 -12.785 1.00 0.00 C ATOM 973 C ALA A 67 -13.324 0.296 -13.298 1.00 0.00 C ATOM 974 O ALA A 67 -12.692 -0.590 -12.724 1.00 0.00 O ATOM 975 CB ALA A 67 -14.701 2.143 -12.339 1.00 0.00 C ATOM 0 H ALA A 67 -13.500 3.329 -14.130 1.00 0.00 H new ATOM 0 HA ALA A 67 -12.614 1.788 -11.937 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.052 1.459 -11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -14.674 3.157 -11.941 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.379 2.106 -13.192 1.00 0.00 H new ATOM 981 N LYS A 68 -14.060 0.071 -14.379 1.00 0.00 N ATOM 982 CA LYS A 68 -14.162 -1.264 -14.957 1.00 0.00 C ATOM 983 C LYS A 68 -12.783 -1.790 -15.346 1.00 0.00 C ATOM 984 O LYS A 68 -12.489 -2.974 -15.179 1.00 0.00 O ATOM 985 CB LYS A 68 -15.065 -1.229 -16.192 1.00 0.00 C ATOM 986 CG LYS A 68 -15.056 -2.598 -16.875 1.00 0.00 C ATOM 987 CD LYS A 68 -16.200 -2.672 -17.890 1.00 0.00 C ATOM 988 CE LYS A 68 -15.944 -3.821 -18.868 1.00 0.00 C ATOM 989 NZ LYS A 68 -14.894 -3.416 -19.845 1.00 0.00 N ATOM 0 H LYS A 68 -14.592 0.789 -14.871 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.592 -1.931 -14.210 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -16.082 -0.962 -15.904 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.719 -0.463 -16.886 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.101 -2.760 -17.375 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.164 -3.388 -16.131 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.148 -2.824 -17.374 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.280 -1.730 -18.433 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.627 -4.711 -18.325 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.864 -4.078 -19.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.930 -4.044 -20.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.061 -2.435 -20.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.958 -3.486 -19.398 1.00 0.00 H new ATOM 1003 N GLU A 69 -11.943 -0.902 -15.868 1.00 0.00 N ATOM 1004 CA GLU A 69 -10.598 -1.288 -16.284 1.00 0.00 C ATOM 1005 C GLU A 69 -9.742 -1.675 -15.080 1.00 0.00 C ATOM 1006 O GLU A 69 -9.239 -2.795 -15.002 1.00 0.00 O ATOM 1007 CB GLU A 69 -9.933 -0.132 -17.034 1.00 0.00 C ATOM 1008 CG GLU A 69 -10.570 0.014 -18.417 1.00 0.00 C ATOM 1009 CD GLU A 69 -10.132 -1.137 -19.316 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -9.043 -1.647 -19.107 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -10.892 -1.493 -20.201 1.00 0.00 O ATOM 0 H GLU A 69 -12.167 0.083 -16.013 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.681 -2.153 -16.942 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.046 0.794 -16.470 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.863 -0.316 -17.132 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.656 0.023 -18.327 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.279 0.965 -18.862 1.00 0.00 H new ATOM 1018 N MET A 70 -9.574 -0.740 -14.150 1.00 0.00 N ATOM 1019 CA MET A 70 -8.766 -1.000 -12.962 1.00 0.00 C ATOM 1020 C MET A 70 -9.393 -2.098 -12.109 1.00 0.00 C ATOM 1021 O MET A 70 -8.696 -2.979 -11.606 1.00 0.00 O ATOM 1022 CB MET A 70 -8.619 0.283 -12.135 1.00 0.00 C ATOM 1023 CG MET A 70 -9.892 0.536 -11.325 1.00 0.00 C ATOM 1024 SD MET A 70 -9.890 2.242 -10.717 1.00 0.00 S ATOM 1025 CE MET A 70 -10.589 1.906 -9.081 1.00 0.00 C ATOM 0 H MET A 70 -9.981 0.194 -14.194 1.00 0.00 H new ATOM 0 HA MET A 70 -7.780 -1.335 -13.285 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.764 0.197 -11.465 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.424 1.129 -12.794 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.771 0.360 -11.945 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.948 -0.160 -10.488 1.00 0.00 H new ATOM 0 HE1 MET A 70 -10.677 2.839 -8.524 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.575 1.455 -9.192 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.936 1.221 -8.540 1.00 0.00 H new ATOM 1035 N SER A 71 -10.710 -2.039 -11.945 1.00 0.00 N ATOM 1036 CA SER A 71 -11.410 -3.035 -11.145 1.00 0.00 C ATOM 1037 C SER A 71 -11.179 -4.435 -11.705 1.00 0.00 C ATOM 1038 O SER A 71 -10.827 -5.357 -10.971 1.00 0.00 O ATOM 1039 CB SER A 71 -12.908 -2.733 -11.122 1.00 0.00 C ATOM 1040 OG SER A 71 -13.119 -1.439 -10.574 1.00 0.00 O ATOM 0 H SER A 71 -11.309 -1.320 -12.351 1.00 0.00 H new ATOM 0 HA SER A 71 -11.017 -2.994 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.316 -2.784 -12.131 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.432 -3.482 -10.528 1.00 0.00 H new ATOM 0 HG SER A 71 -12.721 -0.765 -11.164 1.00 0.00 H new ATOM 1046 N GLU A 72 -11.384 -4.586 -13.010 1.00 0.00 N ATOM 1047 CA GLU A 72 -11.196 -5.880 -13.657 1.00 0.00 C ATOM 1048 C GLU A 72 -9.729 -6.298 -13.611 1.00 0.00 C ATOM 1049 O GLU A 72 -9.416 -7.483 -13.495 1.00 0.00 O ATOM 1050 CB GLU A 72 -11.666 -5.808 -15.113 1.00 0.00 C ATOM 1051 CG GLU A 72 -11.582 -7.198 -15.753 1.00 0.00 C ATOM 1052 CD GLU A 72 -10.145 -7.500 -16.164 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -9.530 -6.640 -16.773 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -9.681 -8.589 -15.865 1.00 0.00 O ATOM 0 H GLU A 72 -11.678 -3.836 -13.635 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.787 -6.622 -13.121 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.691 -5.438 -15.157 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.049 -5.103 -15.670 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.933 -7.953 -15.049 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.235 -7.246 -16.624 1.00 0.00 H new ATOM 1061 N PHE A 73 -8.836 -5.319 -13.708 1.00 0.00 N ATOM 1062 CA PHE A 73 -7.405 -5.601 -13.680 1.00 0.00 C ATOM 1063 C PHE A 73 -6.954 -5.965 -12.268 1.00 0.00 C ATOM 1064 O PHE A 73 -6.466 -7.068 -12.026 1.00 0.00 O ATOM 1065 CB PHE A 73 -6.623 -4.379 -14.174 1.00 0.00 C ATOM 1066 CG PHE A 73 -5.261 -4.812 -14.664 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -4.190 -4.904 -13.766 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -5.070 -5.120 -16.016 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -2.928 -5.305 -14.222 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -3.808 -5.521 -16.471 1.00 0.00 C ATOM 1071 CZ PHE A 73 -2.738 -5.613 -15.574 1.00 0.00 C ATOM 0 H PHE A 73 -9.074 -4.332 -13.806 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.208 -6.448 -14.337 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.170 -3.886 -14.978 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.517 -3.653 -13.368 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.337 -4.666 -12.723 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.896 -5.048 -16.708 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.102 -5.377 -13.530 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.660 -5.759 -17.514 1.00 0.00 H new ATOM 0 HZ PHE A 73 -1.765 -5.922 -15.925 1.00 0.00 H new ATOM 1081 N LEU A 74 -7.121 -5.028 -11.339 1.00 0.00 N ATOM 1082 CA LEU A 74 -6.726 -5.261 -9.954 1.00 0.00 C ATOM 1083 C LEU A 74 -7.301 -6.580 -9.445 1.00 0.00 C ATOM 1084 O LEU A 74 -6.929 -7.055 -8.372 1.00 0.00 O ATOM 1085 CB LEU A 74 -7.219 -4.113 -9.070 1.00 0.00 C ATOM 1086 CG LEU A 74 -6.598 -2.791 -9.538 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -7.443 -1.621 -9.031 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -5.173 -2.660 -8.989 1.00 0.00 C ATOM 0 H LEU A 74 -7.524 -4.108 -11.518 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.638 -5.312 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.306 -4.050 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.952 -4.302 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.568 -2.778 -10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.001 -0.682 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.456 -1.706 -9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.475 -1.641 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.739 -1.719 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.200 -2.678 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.566 -3.490 -9.351 1.00 0.00 H new