USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=9 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 Single : A 6 GLN : amide:sc= -0.01 K(o=-0.01,f=-0.81) USER MOD Single : A 7 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.094) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.32 F(o=-2.9,f=-0.32) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.234 F(o=-1.1,f=-0.23) USER MOD Single : A 26 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.1) USER MOD Single : A 27 SER OG : rot 180:sc= -0.462 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.333 K(o=-0.33,f=-2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 179:sc= -0.205 USER MOD Single : A 65 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.18) USER MOD Single : A 66 MET CE :methyl -173:sc= 0 (180deg=-0.103) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -55:sc= 0.363 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.098 -10.610 13.014 1.00 0.00 N ATOM 2 CA GLN A 6 1.275 -9.413 12.896 1.00 0.00 C ATOM 3 C GLN A 6 2.063 -8.183 13.332 1.00 0.00 C ATOM 4 O GLN A 6 1.696 -7.052 13.010 1.00 0.00 O ATOM 5 CB GLN A 6 0.021 -9.553 13.762 1.00 0.00 C ATOM 6 CG GLN A 6 0.429 -9.713 15.229 1.00 0.00 C ATOM 7 CD GLN A 6 -0.793 -10.048 16.076 1.00 0.00 C ATOM 8 OE1 GLN A 6 -1.643 -10.833 15.657 1.00 0.00 O ATOM 9 NE2 GLN A 6 -0.932 -9.496 17.250 1.00 0.00 N ATOM 0 HA GLN A 6 0.982 -9.295 11.853 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.615 -8.676 13.644 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.562 -10.416 13.439 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.175 -10.502 15.324 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.890 -8.794 15.589 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.226 -8.846 17.595 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.747 -9.715 17.823 1.00 0.00 H new ATOM 18 N GLN A 7 3.148 -8.413 14.064 1.00 0.00 N ATOM 19 CA GLN A 7 3.984 -7.319 14.538 1.00 0.00 C ATOM 20 C GLN A 7 4.240 -6.319 13.417 1.00 0.00 C ATOM 21 O GLN A 7 3.882 -5.146 13.523 1.00 0.00 O ATOM 22 CB GLN A 7 5.317 -7.867 15.050 1.00 0.00 C ATOM 23 CG GLN A 7 5.056 -8.911 16.137 1.00 0.00 C ATOM 24 CD GLN A 7 4.396 -8.255 17.344 1.00 0.00 C ATOM 25 OE1 GLN A 7 3.307 -8.658 17.753 1.00 0.00 O ATOM 26 NE2 GLN A 7 4.992 -7.258 17.940 1.00 0.00 N ATOM 0 H GLN A 7 3.467 -9.342 14.340 1.00 0.00 H new ATOM 0 HA GLN A 7 3.463 -6.812 15.350 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.878 -8.314 14.229 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.927 -7.056 15.449 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.415 -9.701 15.747 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.994 -9.379 16.435 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.894 -6.926 17.599 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.555 -6.811 18.746 1.00 0.00 H new ATOM 35 N GLN A 8 4.860 -6.789 12.341 1.00 0.00 N ATOM 36 CA GLN A 8 5.157 -5.922 11.207 1.00 0.00 C ATOM 37 C GLN A 8 3.932 -5.096 10.825 1.00 0.00 C ATOM 38 O GLN A 8 4.057 -3.950 10.391 1.00 0.00 O ATOM 39 CB GLN A 8 5.601 -6.764 10.008 1.00 0.00 C ATOM 40 CG GLN A 8 7.008 -7.315 10.259 1.00 0.00 C ATOM 41 CD GLN A 8 8.051 -6.237 9.978 1.00 0.00 C ATOM 42 OE1 GLN A 8 7.676 -4.994 9.852 1.00 0.00 O flip ATOM 43 NE2 GLN A 8 9.241 -6.537 9.872 1.00 0.00 N flip ATOM 0 H GLN A 8 5.164 -7.756 12.230 1.00 0.00 H new ATOM 0 HA GLN A 8 5.961 -5.245 11.494 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.901 -7.585 9.848 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.593 -6.158 9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.095 -7.656 11.291 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.187 -8.181 9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.533 -7.509 9.971 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.935 -5.813 9.685 1.00 0.00 H new ATOM 52 N ALA A 9 2.752 -5.684 10.989 1.00 0.00 N ATOM 53 CA ALA A 9 1.512 -4.991 10.655 1.00 0.00 C ATOM 54 C ALA A 9 1.247 -3.853 11.637 1.00 0.00 C ATOM 55 O ALA A 9 1.245 -2.682 11.259 1.00 0.00 O ATOM 56 CB ALA A 9 0.340 -5.975 10.681 1.00 0.00 C ATOM 0 H ALA A 9 2.627 -6.631 11.348 1.00 0.00 H new ATOM 0 HA ALA A 9 1.613 -4.572 9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.582 -5.450 10.431 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.515 -6.768 9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.251 -6.409 11.677 1.00 0.00 H new ATOM 62 N VAL A 10 1.022 -4.204 12.900 1.00 0.00 N ATOM 63 CA VAL A 10 0.754 -3.200 13.923 1.00 0.00 C ATOM 64 C VAL A 10 1.936 -2.243 14.061 1.00 0.00 C ATOM 65 O VAL A 10 1.762 -1.073 14.399 1.00 0.00 O ATOM 66 CB VAL A 10 0.474 -3.880 15.266 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.582 -4.890 15.573 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.424 -2.826 16.376 1.00 0.00 C ATOM 0 H VAL A 10 1.020 -5.167 13.237 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.123 -2.627 13.622 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.484 -4.398 15.213 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.380 -5.372 16.529 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.615 -5.644 14.786 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.541 -4.374 15.622 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.225 -3.312 17.331 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.380 -2.305 16.427 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.369 -2.109 16.162 1.00 0.00 H new ATOM 78 N LEU A 11 3.136 -2.747 13.794 1.00 0.00 N ATOM 79 CA LEU A 11 4.337 -1.924 13.890 1.00 0.00 C ATOM 80 C LEU A 11 4.318 -0.835 12.822 1.00 0.00 C ATOM 81 O LEU A 11 4.317 0.355 13.137 1.00 0.00 O ATOM 82 CB LEU A 11 5.587 -2.793 13.713 1.00 0.00 C ATOM 83 CG LEU A 11 5.844 -3.607 14.988 1.00 0.00 C ATOM 84 CD1 LEU A 11 6.950 -4.630 14.717 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.279 -2.675 16.130 1.00 0.00 C ATOM 0 H LEU A 11 3.303 -3.713 13.512 1.00 0.00 H new ATOM 0 HA LEU A 11 4.359 -1.458 14.875 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.457 -3.463 12.864 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.449 -2.164 13.493 1.00 0.00 H new ATOM 0 HG LEU A 11 4.927 -4.120 15.278 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.137 -5.211 15.620 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.639 -5.298 13.913 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.863 -4.110 14.425 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.459 -3.262 17.030 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.194 -2.155 15.847 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.493 -1.945 16.324 1.00 0.00 H new ATOM 97 N GLU A 12 4.302 -1.250 11.560 1.00 0.00 N ATOM 98 CA GLU A 12 4.281 -0.299 10.454 1.00 0.00 C ATOM 99 C GLU A 12 3.039 0.582 10.531 1.00 0.00 C ATOM 100 O GLU A 12 3.086 1.768 10.207 1.00 0.00 O ATOM 101 CB GLU A 12 4.295 -1.048 9.120 1.00 0.00 C ATOM 102 CG GLU A 12 5.659 -1.710 8.920 1.00 0.00 C ATOM 103 CD GLU A 12 5.733 -2.342 7.534 1.00 0.00 C ATOM 104 OE1 GLU A 12 5.475 -1.641 6.570 1.00 0.00 O ATOM 105 OE2 GLU A 12 6.047 -3.519 7.456 1.00 0.00 O ATOM 0 H GLU A 12 4.303 -2.230 11.278 1.00 0.00 H new ATOM 0 HA GLU A 12 5.167 0.332 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.508 -1.802 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.090 -0.358 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.452 -0.971 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.819 -2.470 9.685 1.00 0.00 H new ATOM 112 N GLN A 13 1.929 -0.008 10.963 1.00 0.00 N ATOM 113 CA GLN A 13 0.678 0.733 11.081 1.00 0.00 C ATOM 114 C GLN A 13 0.790 1.805 12.159 1.00 0.00 C ATOM 115 O GLN A 13 0.378 2.948 11.958 1.00 0.00 O ATOM 116 CB GLN A 13 -0.465 -0.223 11.425 1.00 0.00 C ATOM 117 CG GLN A 13 -1.804 0.495 11.248 1.00 0.00 C ATOM 118 CD GLN A 13 -2.075 0.734 9.766 1.00 0.00 C ATOM 119 OE1 GLN A 13 -1.807 1.900 9.244 1.00 0.00 O flip ATOM 120 NE2 GLN A 13 -2.541 -0.165 9.067 1.00 0.00 N flip ATOM 0 H GLN A 13 1.870 -0.989 11.235 1.00 0.00 H new ATOM 0 HA GLN A 13 0.472 1.215 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.424 -1.102 10.781 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.362 -0.575 12.452 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.606 -0.102 11.681 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.790 1.445 11.782 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.749 -1.075 9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.719 -0.000 8.076 1.00 0.00 H new ATOM 129 N GLU A 14 1.351 1.430 13.304 1.00 0.00 N ATOM 130 CA GLU A 14 1.514 2.371 14.407 1.00 0.00 C ATOM 131 C GLU A 14 2.479 3.486 14.017 1.00 0.00 C ATOM 132 O GLU A 14 2.132 4.666 14.072 1.00 0.00 O ATOM 133 CB GLU A 14 2.043 1.640 15.644 1.00 0.00 C ATOM 134 CG GLU A 14 0.903 0.868 16.313 1.00 0.00 C ATOM 135 CD GLU A 14 0.015 1.827 17.098 1.00 0.00 C ATOM 136 OE1 GLU A 14 0.231 3.023 16.994 1.00 0.00 O ATOM 137 OE2 GLU A 14 -0.869 1.351 17.792 1.00 0.00 O ATOM 0 H GLU A 14 1.698 0.489 13.492 1.00 0.00 H new ATOM 0 HA GLU A 14 0.543 2.810 14.635 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.842 0.955 15.360 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.472 2.356 16.346 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.313 0.348 15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.310 0.108 16.980 1.00 0.00 H new ATOM 144 N ARG A 15 3.688 3.105 13.620 1.00 0.00 N ATOM 145 CA ARG A 15 4.692 4.083 13.220 1.00 0.00 C ATOM 146 C ARG A 15 4.109 5.055 12.200 1.00 0.00 C ATOM 147 O ARG A 15 4.174 6.272 12.378 1.00 0.00 O ATOM 148 CB ARG A 15 5.905 3.372 12.618 1.00 0.00 C ATOM 149 CG ARG A 15 6.570 2.500 13.686 1.00 0.00 C ATOM 150 CD ARG A 15 7.575 1.559 13.022 1.00 0.00 C ATOM 151 NE ARG A 15 8.130 0.636 14.007 1.00 0.00 N ATOM 152 CZ ARG A 15 9.037 1.038 14.891 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.444 2.277 14.890 1.00 0.00 N ATOM 154 NH2 ARG A 15 9.520 0.193 15.760 1.00 0.00 N ATOM 0 H ARG A 15 3.995 2.134 13.567 1.00 0.00 H new ATOM 0 HA ARG A 15 5.003 4.641 14.103 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.596 2.757 11.772 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.617 4.104 12.237 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.074 3.128 14.421 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.816 1.924 14.222 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.088 1.000 12.223 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.377 2.137 12.563 1.00 0.00 H new ATOM 0 HE ARG A 15 7.816 -0.334 14.017 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.066 2.937 14.211 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.140 2.586 15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.201 -0.776 15.761 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.216 0.501 16.439 1.00 0.00 H new ATOM 168 N ARG A 16 3.538 4.509 11.131 1.00 0.00 N ATOM 169 CA ARG A 16 2.944 5.336 10.090 1.00 0.00 C ATOM 170 C ARG A 16 1.836 6.208 10.671 1.00 0.00 C ATOM 171 O ARG A 16 1.923 7.435 10.647 1.00 0.00 O ATOM 172 CB ARG A 16 2.371 4.449 8.982 1.00 0.00 C ATOM 173 CG ARG A 16 2.122 5.290 7.728 1.00 0.00 C ATOM 174 CD ARG A 16 1.241 4.507 6.754 1.00 0.00 C ATOM 175 NE ARG A 16 -0.139 4.490 7.222 1.00 0.00 N ATOM 176 CZ ARG A 16 -1.100 3.908 6.512 1.00 0.00 C ATOM 177 NH1 ARG A 16 -0.814 3.337 5.374 1.00 0.00 N ATOM 178 NH2 ARG A 16 -2.328 3.906 6.952 1.00 0.00 N ATOM 0 H ARG A 16 3.475 3.505 10.965 1.00 0.00 H new ATOM 0 HA ARG A 16 3.719 5.980 9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.064 3.638 8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.440 3.990 9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.639 6.229 7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.070 5.544 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.291 4.960 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.612 3.487 6.657 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.372 4.933 8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.146 3.338 5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.551 2.890 4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.552 4.351 7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.065 3.459 6.406 1.00 0.00 H new ATOM 192 N ASP A 17 0.797 5.564 11.197 1.00 0.00 N ATOM 193 CA ASP A 17 -0.324 6.292 11.786 1.00 0.00 C ATOM 194 C ASP A 17 0.174 7.501 12.571 1.00 0.00 C ATOM 195 O ASP A 17 -0.411 8.582 12.502 1.00 0.00 O ATOM 196 CB ASP A 17 -1.115 5.370 12.715 1.00 0.00 C ATOM 197 CG ASP A 17 -2.366 6.084 13.216 1.00 0.00 C ATOM 198 OD1 ASP A 17 -2.977 6.787 12.429 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.695 5.916 14.378 1.00 0.00 O ATOM 0 H ASP A 17 0.708 4.548 11.228 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.971 6.638 10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.394 4.459 12.186 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.494 5.071 13.559 1.00 0.00 H new ATOM 204 N ARG A 18 1.261 7.313 13.312 1.00 0.00 N ATOM 205 CA ARG A 18 1.832 8.398 14.102 1.00 0.00 C ATOM 206 C ARG A 18 2.423 9.463 13.186 1.00 0.00 C ATOM 207 O ARG A 18 2.206 10.659 13.386 1.00 0.00 O ATOM 208 CB ARG A 18 2.921 7.852 15.031 1.00 0.00 C ATOM 209 CG ARG A 18 2.276 7.085 16.193 1.00 0.00 C ATOM 210 CD ARG A 18 1.967 8.047 17.344 1.00 0.00 C ATOM 211 NE ARG A 18 0.991 7.452 18.250 1.00 0.00 N ATOM 212 CZ ARG A 18 1.347 6.518 19.126 1.00 0.00 C ATOM 213 NH1 ARG A 18 2.588 6.117 19.183 1.00 0.00 N ATOM 214 NH2 ARG A 18 0.456 6.001 19.928 1.00 0.00 N ATOM 0 H ARG A 18 1.761 6.427 13.382 1.00 0.00 H new ATOM 0 HA ARG A 18 1.041 8.847 14.702 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.590 7.194 14.476 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.528 8.671 15.416 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.359 6.601 15.856 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.946 6.297 16.536 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.882 8.282 17.887 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.581 8.987 16.949 1.00 0.00 H new ATOM 0 HE ARG A 18 0.019 7.758 18.211 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.284 6.520 18.556 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.862 5.400 19.855 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.514 6.314 19.882 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.730 5.284 20.600 1.00 0.00 H new ATOM 228 N GLU A 19 3.170 9.021 12.178 1.00 0.00 N ATOM 229 CA GLU A 19 3.785 9.948 11.235 1.00 0.00 C ATOM 230 C GLU A 19 2.726 10.844 10.602 1.00 0.00 C ATOM 231 O GLU A 19 2.839 12.069 10.627 1.00 0.00 O ATOM 232 CB GLU A 19 4.521 9.171 10.142 1.00 0.00 C ATOM 233 CG GLU A 19 5.789 8.544 10.725 1.00 0.00 C ATOM 234 CD GLU A 19 6.847 9.619 10.948 1.00 0.00 C ATOM 235 OE1 GLU A 19 7.057 10.412 10.044 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.434 9.634 12.017 1.00 0.00 O ATOM 0 H GLU A 19 3.362 8.036 11.995 1.00 0.00 H new ATOM 0 HA GLU A 19 4.497 10.571 11.776 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.873 8.395 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.778 9.837 9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.559 8.048 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.172 7.780 10.048 1.00 0.00 H new ATOM 243 N LEU A 20 1.695 10.223 10.036 1.00 0.00 N ATOM 244 CA LEU A 20 0.619 10.976 9.402 1.00 0.00 C ATOM 245 C LEU A 20 -0.060 11.890 10.417 1.00 0.00 C ATOM 246 O LEU A 20 -0.052 13.111 10.268 1.00 0.00 O ATOM 247 CB LEU A 20 -0.413 10.016 8.804 1.00 0.00 C ATOM 248 CG LEU A 20 0.303 8.883 8.067 1.00 0.00 C ATOM 249 CD1 LEU A 20 -0.724 8.027 7.325 1.00 0.00 C ATOM 250 CD2 LEU A 20 1.297 9.472 7.062 1.00 0.00 C ATOM 0 H LEU A 20 1.583 9.210 10.003 1.00 0.00 H new ATOM 0 HA LEU A 20 1.047 11.586 8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.044 9.608 9.593 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.068 10.552 8.118 1.00 0.00 H new ATOM 0 HG LEU A 20 0.839 8.265 8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.213 7.220 6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.431 7.605 8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.261 8.645 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.806 8.664 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.762 10.091 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.031 10.081 7.590 1.00 0.00 H new ATOM 262 N ALA A 21 -0.644 11.289 11.449 1.00 0.00 N ATOM 263 CA ALA A 21 -1.323 12.061 12.485 1.00 0.00 C ATOM 264 C ALA A 21 -0.490 13.278 12.874 1.00 0.00 C ATOM 265 O ALA A 21 -1.029 14.350 13.149 1.00 0.00 O ATOM 266 CB ALA A 21 -1.560 11.187 13.717 1.00 0.00 C ATOM 0 H ALA A 21 -0.661 10.279 11.590 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.282 12.400 12.092 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.067 11.771 14.485 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.179 10.332 13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.603 10.834 14.102 1.00 0.00 H new ATOM 272 N LEU A 22 0.828 13.105 12.888 1.00 0.00 N ATOM 273 CA LEU A 22 1.727 14.198 13.239 1.00 0.00 C ATOM 274 C LEU A 22 1.713 15.260 12.148 1.00 0.00 C ATOM 275 O LEU A 22 1.579 16.451 12.427 1.00 0.00 O ATOM 276 CB LEU A 22 3.153 13.665 13.421 1.00 0.00 C ATOM 277 CG LEU A 22 4.003 14.704 14.167 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.874 14.491 15.679 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.473 14.550 13.761 1.00 0.00 C ATOM 0 H LEU A 22 1.294 12.226 12.662 1.00 0.00 H new ATOM 0 HA LEU A 22 1.388 14.644 14.174 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.133 12.729 13.979 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.597 13.448 12.450 1.00 0.00 H new ATOM 0 HG LEU A 22 3.652 15.703 13.909 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.479 15.231 16.204 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.830 14.600 15.974 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.221 13.490 15.936 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.076 15.288 14.291 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.818 13.548 14.017 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.572 14.705 12.687 1.00 0.00 H new ATOM 291 N ARG A 23 1.845 14.818 10.901 1.00 0.00 N ATOM 292 CA ARG A 23 1.839 15.739 9.772 1.00 0.00 C ATOM 293 C ARG A 23 0.573 16.587 9.794 1.00 0.00 C ATOM 294 O ARG A 23 0.634 17.817 9.826 1.00 0.00 O ATOM 295 CB ARG A 23 1.910 14.956 8.459 1.00 0.00 C ATOM 296 CG ARG A 23 3.361 14.558 8.173 1.00 0.00 C ATOM 297 CD ARG A 23 3.390 13.463 7.105 1.00 0.00 C ATOM 298 NE ARG A 23 2.337 13.688 6.122 1.00 0.00 N ATOM 299 CZ ARG A 23 2.061 12.782 5.190 1.00 0.00 C ATOM 300 NH1 ARG A 23 2.739 11.667 5.143 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.113 13.006 4.322 1.00 0.00 N ATOM 0 H ARG A 23 1.956 13.836 10.649 1.00 0.00 H new ATOM 0 HA ARG A 23 2.708 16.393 9.848 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.284 14.066 8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.521 15.563 7.641 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.927 15.426 7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.838 14.203 9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.362 13.453 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.259 12.487 7.572 1.00 0.00 H new ATOM 0 HE ARG A 23 1.803 14.556 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.480 11.492 5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.527 10.971 4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.583 13.877 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.902 12.310 3.607 1.00 0.00 H new ATOM 315 N ILE A 24 -0.576 15.920 9.781 1.00 0.00 N ATOM 316 CA ILE A 24 -1.851 16.622 9.803 1.00 0.00 C ATOM 317 C ILE A 24 -1.901 17.582 10.986 1.00 0.00 C ATOM 318 O ILE A 24 -2.138 18.778 10.818 1.00 0.00 O ATOM 319 CB ILE A 24 -3.002 15.621 9.907 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.805 14.510 8.871 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.328 16.339 9.641 1.00 0.00 C ATOM 322 CD1 ILE A 24 -4.046 13.615 8.836 1.00 0.00 C ATOM 0 H ILE A 24 -0.650 14.903 9.756 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.952 17.188 8.877 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.019 15.187 10.907 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.629 14.944 7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.924 13.918 9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.149 15.626 9.715 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.467 17.130 10.377 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.313 16.772 8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.904 12.825 8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.202 13.170 9.819 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.917 14.212 8.566 1.00 0.00 H new ATOM 334 N ALA A 25 -1.667 17.051 12.181 1.00 0.00 N ATOM 335 CA ALA A 25 -1.683 17.873 13.383 1.00 0.00 C ATOM 336 C ALA A 25 -0.839 19.125 13.175 1.00 0.00 C ATOM 337 O ALA A 25 -1.279 20.239 13.458 1.00 0.00 O ATOM 338 CB ALA A 25 -1.139 17.078 14.571 1.00 0.00 C ATOM 0 H ALA A 25 -1.466 16.064 12.342 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.712 18.167 13.590 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.155 17.702 15.465 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.759 16.196 14.733 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.115 16.769 14.363 1.00 0.00 H new ATOM 344 N GLN A 26 0.374 18.929 12.672 1.00 0.00 N ATOM 345 CA GLN A 26 1.274 20.046 12.420 1.00 0.00 C ATOM 346 C GLN A 26 0.757 20.891 11.262 1.00 0.00 C ATOM 347 O GLN A 26 1.129 22.055 11.115 1.00 0.00 O ATOM 348 CB GLN A 26 2.673 19.522 12.088 1.00 0.00 C ATOM 349 CG GLN A 26 3.280 18.860 13.326 1.00 0.00 C ATOM 350 CD GLN A 26 3.569 19.909 14.393 1.00 0.00 C ATOM 351 OE1 GLN A 26 3.959 21.032 14.073 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.400 19.609 15.652 1.00 0.00 N ATOM 0 H GLN A 26 0.754 18.013 12.432 1.00 0.00 H new ATOM 0 HA GLN A 26 1.322 20.665 13.316 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.619 18.805 11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.309 20.341 11.752 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.595 18.109 13.719 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.200 18.341 13.056 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.077 18.678 15.916 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.591 20.305 16.372 1.00 0.00 H new ATOM 361 N SER A 27 -0.111 20.300 10.446 1.00 0.00 N ATOM 362 CA SER A 27 -0.679 21.011 9.308 1.00 0.00 C ATOM 363 C SER A 27 -1.708 22.024 9.790 1.00 0.00 C ATOM 364 O SER A 27 -1.591 23.220 9.523 1.00 0.00 O ATOM 365 CB SER A 27 -1.337 20.020 8.346 1.00 0.00 C ATOM 366 OG SER A 27 -1.406 20.599 7.050 1.00 0.00 O ATOM 0 H SER A 27 -0.434 19.338 10.551 1.00 0.00 H new ATOM 0 HA SER A 27 0.120 21.536 8.785 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.764 19.093 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.337 19.765 8.697 1.00 0.00 H new ATOM 0 HG SER A 27 -1.826 19.966 6.431 1.00 0.00 H new ATOM 372 N GLU A 28 -2.710 21.537 10.513 1.00 0.00 N ATOM 373 CA GLU A 28 -3.746 22.411 11.043 1.00 0.00 C ATOM 374 C GLU A 28 -3.128 23.416 12.004 1.00 0.00 C ATOM 375 O GLU A 28 -3.509 24.587 12.031 1.00 0.00 O ATOM 376 CB GLU A 28 -4.804 21.583 11.779 1.00 0.00 C ATOM 377 CG GLU A 28 -4.935 20.209 11.121 1.00 0.00 C ATOM 378 CD GLU A 28 -6.317 19.623 11.395 1.00 0.00 C ATOM 379 OE1 GLU A 28 -6.600 19.337 12.547 1.00 0.00 O ATOM 380 OE2 GLU A 28 -7.072 19.470 10.450 1.00 0.00 O ATOM 0 H GLU A 28 -2.826 20.550 10.743 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.218 22.942 10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.526 21.470 12.827 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.763 22.100 11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.775 20.296 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.165 19.539 11.505 1.00 0.00 H new ATOM 387 N ALA A 29 -2.168 22.945 12.792 1.00 0.00 N ATOM 388 CA ALA A 29 -1.495 23.803 13.754 1.00 0.00 C ATOM 389 C ALA A 29 -0.743 24.919 13.036 1.00 0.00 C ATOM 390 O ALA A 29 -0.811 26.083 13.433 1.00 0.00 O ATOM 391 CB ALA A 29 -0.516 22.982 14.595 1.00 0.00 C ATOM 0 H ALA A 29 -1.841 21.979 12.782 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.247 24.246 14.407 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.017 23.634 15.312 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.060 22.203 15.129 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.228 22.523 13.943 1.00 0.00 H new ATOM 397 N GLU A 30 -0.026 24.556 11.975 1.00 0.00 N ATOM 398 CA GLU A 30 0.732 25.535 11.206 1.00 0.00 C ATOM 399 C GLU A 30 -0.199 26.358 10.323 1.00 0.00 C ATOM 400 O GLU A 30 0.116 27.490 9.956 1.00 0.00 O ATOM 401 CB GLU A 30 1.769 24.826 10.332 1.00 0.00 C ATOM 402 CG GLU A 30 2.908 24.303 11.210 1.00 0.00 C ATOM 403 CD GLU A 30 3.803 25.461 11.644 1.00 0.00 C ATOM 404 OE1 GLU A 30 3.555 26.571 11.205 1.00 0.00 O ATOM 405 OE2 GLU A 30 4.721 25.219 12.409 1.00 0.00 O ATOM 0 H GLU A 30 0.045 23.598 11.631 1.00 0.00 H new ATOM 0 HA GLU A 30 1.239 26.201 11.903 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.303 24.001 9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.160 25.515 9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.501 23.798 12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.493 23.566 10.661 1.00 0.00 H new ATOM 412 N LEU A 31 -1.347 25.781 9.986 1.00 0.00 N ATOM 413 CA LEU A 31 -2.319 26.469 9.146 1.00 0.00 C ATOM 414 C LEU A 31 -1.727 26.758 7.769 1.00 0.00 C ATOM 415 O LEU A 31 -1.675 27.908 7.334 1.00 0.00 O ATOM 416 CB LEU A 31 -2.745 27.784 9.810 1.00 0.00 C ATOM 417 CG LEU A 31 -4.109 28.228 9.262 1.00 0.00 C ATOM 418 CD1 LEU A 31 -5.231 27.576 10.075 1.00 0.00 C ATOM 419 CD2 LEU A 31 -4.229 29.752 9.367 1.00 0.00 C ATOM 0 H LEU A 31 -1.626 24.845 10.279 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.190 25.825 9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.802 27.654 10.891 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.999 28.556 9.621 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.193 27.923 8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.197 27.894 9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.149 26.491 10.003 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.146 27.878 11.119 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.197 30.068 8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.141 30.053 10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.434 30.220 8.787 1.00 0.00 H new ATOM 450 N SER A 33 -0.907 23.738 4.579 1.00 0.00 N ATOM 451 CA SER A 33 -1.509 22.789 3.647 1.00 0.00 C ATOM 452 C SER A 33 -2.028 23.502 2.403 1.00 0.00 C ATOM 453 O SER A 33 -3.192 23.353 2.031 1.00 0.00 O ATOM 454 CB SER A 33 -2.660 22.047 4.330 1.00 0.00 C ATOM 455 OG SER A 33 -2.869 20.803 3.675 1.00 0.00 O ATOM 0 HA SER A 33 -0.742 22.076 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.429 21.883 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.569 22.648 4.293 1.00 0.00 H new ATOM 0 HG SER A 33 -3.605 20.324 4.110 1.00 0.00 H new ATOM 461 N ASP A 34 -1.159 24.276 1.763 1.00 0.00 N ATOM 462 CA ASP A 34 -1.545 25.005 0.560 1.00 0.00 C ATOM 463 C ASP A 34 -2.342 24.099 -0.372 1.00 0.00 C ATOM 464 O ASP A 34 -3.057 24.572 -1.256 1.00 0.00 O ATOM 465 CB ASP A 34 -0.298 25.519 -0.162 1.00 0.00 C ATOM 466 CG ASP A 34 -0.693 26.567 -1.198 1.00 0.00 C ATOM 467 OD1 ASP A 34 -1.579 27.353 -0.909 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.100 26.568 -2.265 1.00 0.00 O ATOM 0 H ASP A 34 -0.191 24.415 2.053 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.167 25.852 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.398 25.951 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.219 24.691 -0.648 1.00 0.00 H new ATOM 473 N GLU A 35 -2.216 22.793 -0.163 1.00 0.00 N ATOM 474 CA GLU A 35 -2.928 21.822 -0.983 1.00 0.00 C ATOM 475 C GLU A 35 -4.426 21.878 -0.690 1.00 0.00 C ATOM 476 O GLU A 35 -5.242 21.998 -1.603 1.00 0.00 O ATOM 477 CB GLU A 35 -2.392 20.413 -0.699 1.00 0.00 C ATOM 478 CG GLU A 35 -3.409 19.363 -1.158 1.00 0.00 C ATOM 479 CD GLU A 35 -2.730 18.006 -1.304 1.00 0.00 C ATOM 480 OE1 GLU A 35 -1.709 17.805 -0.667 1.00 0.00 O ATOM 481 OE2 GLU A 35 -3.240 17.187 -2.050 1.00 0.00 O ATOM 0 H GLU A 35 -1.630 22.384 0.565 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.769 22.063 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.444 20.264 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.194 20.298 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.224 19.295 -0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.849 19.663 -2.109 1.00 0.00 H new ATOM 488 N ALA A 36 -4.777 21.792 0.588 1.00 0.00 N ATOM 489 CA ALA A 36 -6.178 21.835 0.990 1.00 0.00 C ATOM 490 C ALA A 36 -6.850 23.095 0.455 1.00 0.00 C ATOM 491 O ALA A 36 -7.913 23.029 -0.163 1.00 0.00 O ATOM 492 CB ALA A 36 -6.286 21.805 2.516 1.00 0.00 C ATOM 0 H ALA A 36 -4.116 21.693 1.359 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.682 20.963 0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.336 21.837 2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.833 20.889 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.767 22.667 2.935 1.00 0.00 H new ATOM 498 N GLN A 37 -6.222 24.241 0.695 1.00 0.00 N ATOM 499 CA GLN A 37 -6.768 25.511 0.233 1.00 0.00 C ATOM 500 C GLN A 37 -6.916 25.511 -1.285 1.00 0.00 C ATOM 501 O GLN A 37 -7.980 25.830 -1.816 1.00 0.00 O ATOM 502 CB GLN A 37 -5.851 26.660 0.657 1.00 0.00 C ATOM 503 CG GLN A 37 -5.552 26.548 2.153 1.00 0.00 C ATOM 504 CD GLN A 37 -6.850 26.613 2.950 1.00 0.00 C ATOM 505 OE1 GLN A 37 -7.838 27.182 2.486 1.00 0.00 O ATOM 506 NE2 GLN A 37 -6.908 26.061 4.132 1.00 0.00 N ATOM 0 H GLN A 37 -5.341 24.316 1.203 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.752 25.646 0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.923 26.628 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.326 27.617 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.035 25.611 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.886 27.354 2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.089 25.590 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.773 26.101 4.672 1.00 0.00 H new ATOM 515 N ALA A 38 -5.842 25.151 -1.980 1.00 0.00 N ATOM 516 CA ALA A 38 -5.863 25.113 -3.438 1.00 0.00 C ATOM 517 C ALA A 38 -6.940 24.154 -3.935 1.00 0.00 C ATOM 518 O ALA A 38 -7.776 24.518 -4.761 1.00 0.00 O ATOM 519 CB ALA A 38 -4.498 24.670 -3.969 1.00 0.00 C ATOM 0 H ALA A 38 -4.952 24.883 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.088 26.115 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.522 24.644 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.734 25.374 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.264 23.676 -3.588 1.00 0.00 H new ATOM 525 N ASP A 39 -6.913 22.926 -3.427 1.00 0.00 N ATOM 526 CA ASP A 39 -7.891 21.921 -3.828 1.00 0.00 C ATOM 527 C ASP A 39 -9.309 22.408 -3.546 1.00 0.00 C ATOM 528 O ASP A 39 -10.075 22.687 -4.469 1.00 0.00 O ATOM 529 CB ASP A 39 -7.640 20.614 -3.072 1.00 0.00 C ATOM 530 CG ASP A 39 -8.447 19.484 -3.703 1.00 0.00 C ATOM 531 OD1 ASP A 39 -8.402 19.357 -4.915 1.00 0.00 O ATOM 532 OD2 ASP A 39 -9.096 18.764 -2.963 1.00 0.00 O ATOM 0 H ASP A 39 -6.230 22.604 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.784 21.748 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.578 20.370 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.919 20.731 -2.025 1.00 0.00 H new ATOM 537 N LEU A 40 -9.653 22.507 -2.266 1.00 0.00 N ATOM 538 CA LEU A 40 -10.983 22.960 -1.874 1.00 0.00 C ATOM 539 C LEU A 40 -11.419 24.148 -2.728 1.00 0.00 C ATOM 540 O LEU A 40 -12.572 24.230 -3.150 1.00 0.00 O ATOM 541 CB LEU A 40 -10.981 23.364 -0.396 1.00 0.00 C ATOM 542 CG LEU A 40 -10.969 22.107 0.486 1.00 0.00 C ATOM 543 CD1 LEU A 40 -10.322 22.432 1.835 1.00 0.00 C ATOM 544 CD2 LEU A 40 -12.405 21.622 0.720 1.00 0.00 C ATOM 0 H LEU A 40 -9.034 22.281 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.686 22.141 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.108 23.980 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.861 23.968 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.399 21.326 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.314 21.539 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.299 22.772 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.892 23.217 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.390 20.730 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.977 22.405 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.870 21.386 -0.237 1.00 0.00 H new ATOM 556 N ALA A 41 -10.489 25.064 -2.978 1.00 0.00 N ATOM 557 CA ALA A 41 -10.790 26.242 -3.784 1.00 0.00 C ATOM 558 C ALA A 41 -11.165 25.840 -5.207 1.00 0.00 C ATOM 559 O ALA A 41 -12.106 26.381 -5.787 1.00 0.00 O ATOM 560 CB ALA A 41 -9.577 27.174 -3.818 1.00 0.00 C ATOM 0 H ALA A 41 -9.529 25.015 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.636 26.761 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.809 28.051 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.330 27.487 -2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.727 26.649 -4.253 1.00 0.00 H new ATOM 566 N LEU A 42 -10.423 24.888 -5.763 1.00 0.00 N ATOM 567 CA LEU A 42 -10.687 24.423 -7.120 1.00 0.00 C ATOM 568 C LEU A 42 -12.065 23.775 -7.206 1.00 0.00 C ATOM 569 O LEU A 42 -12.774 23.931 -8.200 1.00 0.00 O ATOM 570 CB LEU A 42 -9.615 23.413 -7.545 1.00 0.00 C ATOM 571 CG LEU A 42 -8.314 24.150 -7.895 1.00 0.00 C ATOM 572 CD1 LEU A 42 -7.117 23.228 -7.649 1.00 0.00 C ATOM 573 CD2 LEU A 42 -8.336 24.563 -9.371 1.00 0.00 C ATOM 0 H LEU A 42 -9.640 24.427 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.661 25.282 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.435 22.700 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.962 22.841 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.227 25.037 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.195 23.754 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.094 22.933 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.208 22.339 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.412 25.086 -9.616 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.427 23.675 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.185 25.223 -9.552 1.00 0.00 H new ATOM 585 N ARG A 43 -12.438 23.045 -6.159 1.00 0.00 N ATOM 586 CA ARG A 43 -13.734 22.377 -6.130 1.00 0.00 C ATOM 587 C ARG A 43 -14.846 23.376 -5.824 1.00 0.00 C ATOM 588 O ARG A 43 -15.868 23.409 -6.510 1.00 0.00 O ATOM 589 CB ARG A 43 -13.731 21.273 -5.071 1.00 0.00 C ATOM 590 CG ARG A 43 -12.485 20.402 -5.247 1.00 0.00 C ATOM 591 CD ARG A 43 -12.539 19.221 -4.274 1.00 0.00 C ATOM 592 NE ARG A 43 -13.390 18.161 -4.809 1.00 0.00 N ATOM 593 CZ ARG A 43 -14.676 18.067 -4.476 1.00 0.00 C ATOM 594 NH1 ARG A 43 -15.208 18.931 -3.655 1.00 0.00 N ATOM 595 NH2 ARG A 43 -15.406 17.105 -4.972 1.00 0.00 N ATOM 0 H ARG A 43 -11.866 22.902 -5.326 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.916 21.938 -7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.744 21.711 -4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.630 20.664 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.426 20.038 -6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.588 20.994 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.534 18.837 -4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.923 19.553 -3.310 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.990 17.478 -5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.638 19.682 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.193 18.855 -3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.991 16.428 -5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.391 17.030 -4.719 1.00 0.00 H new ATOM 609 N ARG A 44 -14.641 24.187 -4.792 1.00 0.00 N ATOM 610 CA ARG A 44 -15.633 25.182 -4.405 1.00 0.00 C ATOM 611 C ARG A 44 -15.893 26.154 -5.552 1.00 0.00 C ATOM 612 O ARG A 44 -16.862 26.912 -5.529 1.00 0.00 O ATOM 613 CB ARG A 44 -15.141 25.951 -3.176 1.00 0.00 C ATOM 614 CG ARG A 44 -16.339 26.500 -2.401 1.00 0.00 C ATOM 615 CD ARG A 44 -15.866 27.565 -1.411 1.00 0.00 C ATOM 616 NE ARG A 44 -14.946 26.981 -0.441 1.00 0.00 N ATOM 617 CZ ARG A 44 -14.315 27.737 0.451 1.00 0.00 C ATOM 618 NH1 ARG A 44 -14.514 29.027 0.469 1.00 0.00 N ATOM 619 NH2 ARG A 44 -13.497 27.190 1.308 1.00 0.00 N ATOM 0 H ARG A 44 -13.802 24.175 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 44 -16.565 24.670 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.551 25.295 -2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.488 26.768 -3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.066 26.928 -3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.842 25.692 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.373 28.376 -1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.723 27.998 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.784 25.974 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.153 29.454 -0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.030 29.608 1.153 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.342 26.182 1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.013 27.770 1.993 1.00 0.00 H new ATOM 633 N SER A 45 -15.021 26.125 -6.554 1.00 0.00 N ATOM 634 CA SER A 45 -15.166 27.009 -7.706 1.00 0.00 C ATOM 635 C SER A 45 -16.340 26.568 -8.574 1.00 0.00 C ATOM 636 O SER A 45 -16.406 25.418 -9.009 1.00 0.00 O ATOM 637 CB SER A 45 -13.882 26.998 -8.536 1.00 0.00 C ATOM 638 OG SER A 45 -13.963 28.004 -9.536 1.00 0.00 O ATOM 0 H SER A 45 -14.212 25.505 -6.593 1.00 0.00 H new ATOM 0 HA SER A 45 -15.356 28.020 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.019 27.175 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.741 26.020 -8.997 1.00 0.00 H new ATOM 0 HG SER A 45 -13.141 28.002 -10.070 1.00 0.00 H new ATOM 644 N LEU A 46 -17.264 27.490 -8.823 1.00 0.00 N ATOM 645 CA LEU A 46 -18.431 27.186 -9.642 1.00 0.00 C ATOM 646 C LEU A 46 -18.030 27.036 -11.106 1.00 0.00 C ATOM 647 O LEU A 46 -18.681 26.322 -11.868 1.00 0.00 O ATOM 648 CB LEU A 46 -19.473 28.302 -9.507 1.00 0.00 C ATOM 649 CG LEU A 46 -20.208 28.179 -8.164 1.00 0.00 C ATOM 650 CD1 LEU A 46 -21.094 26.926 -8.157 1.00 0.00 C ATOM 651 CD2 LEU A 46 -19.184 28.089 -7.026 1.00 0.00 C ATOM 0 H LEU A 46 -17.228 28.447 -8.472 1.00 0.00 H new ATOM 0 HA LEU A 46 -18.861 26.247 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -18.986 29.275 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -20.188 28.244 -10.328 1.00 0.00 H new ATOM 0 HG LEU A 46 -20.837 29.058 -8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -21.610 26.850 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -21.828 26.995 -8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -20.475 26.042 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -19.706 28.002 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -18.551 27.214 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -18.566 28.987 -7.020 1.00 0.00 H new ATOM 663 N ASP A 47 -16.954 27.714 -11.492 1.00 0.00 N ATOM 664 CA ASP A 47 -16.476 27.649 -12.867 1.00 0.00 C ATOM 665 C ASP A 47 -15.717 26.348 -13.109 1.00 0.00 C ATOM 666 O ASP A 47 -15.035 26.194 -14.123 1.00 0.00 O ATOM 667 CB ASP A 47 -15.558 28.838 -13.159 1.00 0.00 C ATOM 668 CG ASP A 47 -16.214 30.131 -12.686 1.00 0.00 C ATOM 669 OD1 ASP A 47 -17.207 30.520 -13.280 1.00 0.00 O ATOM 670 OD2 ASP A 47 -15.715 30.713 -11.737 1.00 0.00 O ATOM 0 H ASP A 47 -16.401 28.310 -10.877 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.338 27.684 -13.533 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.601 28.701 -12.656 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.352 28.895 -14.228 1.00 0.00 H new ATOM 675 N SER A 48 -15.840 25.415 -12.172 1.00 0.00 N ATOM 676 CA SER A 48 -15.162 24.129 -12.293 1.00 0.00 C ATOM 677 C SER A 48 -15.806 23.285 -13.386 1.00 0.00 C ATOM 678 O SER A 48 -15.130 22.820 -14.305 1.00 0.00 O ATOM 679 CB SER A 48 -15.223 23.378 -10.962 1.00 0.00 C ATOM 680 OG SER A 48 -14.728 22.059 -11.145 1.00 0.00 O ATOM 0 H SER A 48 -16.399 25.523 -11.326 1.00 0.00 H new ATOM 0 HA SER A 48 -14.121 24.312 -12.558 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.632 23.900 -10.209 1.00 0.00 H new ATOM 0 HB3 SER A 48 -16.249 23.346 -10.596 1.00 0.00 H new ATOM 0 HG SER A 48 -14.764 21.575 -10.294 1.00 0.00 H new ATOM 894 N THR A 62 -34.455 27.021 -5.813 1.00 0.00 N ATOM 895 CA THR A 62 -33.396 27.091 -4.813 1.00 0.00 C ATOM 896 C THR A 62 -33.709 26.157 -3.644 1.00 0.00 C ATOM 897 O THR A 62 -34.875 25.896 -3.348 1.00 0.00 O ATOM 898 CB THR A 62 -33.256 28.532 -4.299 1.00 0.00 C ATOM 899 OG1 THR A 62 -33.968 28.669 -3.076 1.00 0.00 O ATOM 900 CG2 THR A 62 -33.826 29.506 -5.332 1.00 0.00 C ATOM 0 HA THR A 62 -32.459 26.780 -5.274 1.00 0.00 H new ATOM 0 HB THR A 62 -32.202 28.756 -4.136 1.00 0.00 H new ATOM 0 HG1 THR A 62 -33.865 29.583 -2.738 1.00 0.00 H new ATOM 0 HG21 THR A 62 -33.725 30.527 -4.964 1.00 0.00 H new ATOM 0 HG22 THR A 62 -33.280 29.403 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 62 -34.880 29.283 -5.499 1.00 0.00 H new ATOM 908 N PRO A 63 -32.700 25.652 -2.979 1.00 0.00 N ATOM 909 CA PRO A 63 -32.886 24.731 -1.820 1.00 0.00 C ATOM 910 C PRO A 63 -33.574 25.427 -0.648 1.00 0.00 C ATOM 911 O PRO A 63 -34.364 24.816 0.073 1.00 0.00 O ATOM 912 CB PRO A 63 -31.459 24.301 -1.451 1.00 0.00 C ATOM 913 CG PRO A 63 -30.565 25.355 -2.020 1.00 0.00 C ATOM 914 CD PRO A 63 -31.277 25.905 -3.255 1.00 0.00 C ATOM 0 HA PRO A 63 -33.529 23.886 -2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -31.339 24.226 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -31.224 23.321 -1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -30.384 26.146 -1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -29.593 24.938 -2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -31.078 26.968 -3.391 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -30.950 25.400 -4.164 1.00 0.00 H new ATOM 922 N GLU A 64 -33.274 26.709 -0.469 1.00 0.00 N ATOM 923 CA GLU A 64 -33.873 27.479 0.613 1.00 0.00 C ATOM 924 C GLU A 64 -35.384 27.568 0.423 1.00 0.00 C ATOM 925 O GLU A 64 -36.146 27.517 1.388 1.00 0.00 O ATOM 926 CB GLU A 64 -33.276 28.887 0.649 1.00 0.00 C ATOM 927 CG GLU A 64 -33.616 29.553 1.984 1.00 0.00 C ATOM 928 CD GLU A 64 -33.019 30.955 2.036 1.00 0.00 C ATOM 929 OE1 GLU A 64 -31.805 31.063 1.998 1.00 0.00 O ATOM 930 OE2 GLU A 64 -33.787 31.901 2.111 1.00 0.00 O ATOM 0 H GLU A 64 -32.624 27.233 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 64 -33.662 26.976 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -32.195 28.838 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -33.669 29.481 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -34.698 29.605 2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -33.229 28.953 2.808 1.00 0.00 H new ATOM 937 N GLN A 65 -35.809 27.699 -0.830 1.00 0.00 N ATOM 938 CA GLN A 65 -37.230 27.791 -1.139 1.00 0.00 C ATOM 939 C GLN A 65 -37.930 26.478 -0.807 1.00 0.00 C ATOM 940 O GLN A 65 -38.954 26.464 -0.125 1.00 0.00 O ATOM 941 CB GLN A 65 -37.424 28.115 -2.621 1.00 0.00 C ATOM 942 CG GLN A 65 -36.959 29.547 -2.896 1.00 0.00 C ATOM 943 CD GLN A 65 -37.952 30.541 -2.302 1.00 0.00 C ATOM 944 OE1 GLN A 65 -37.609 31.291 -1.388 1.00 0.00 O ATOM 945 NE2 GLN A 65 -39.169 30.592 -2.769 1.00 0.00 N ATOM 0 H GLN A 65 -35.194 27.744 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 65 -37.665 28.588 -0.536 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -36.858 27.414 -3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -38.473 28.003 -2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -35.971 29.706 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -36.868 29.709 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -39.451 29.970 -3.526 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -39.838 31.254 -2.377 1.00 0.00 H new ATOM 954 N MET A 66 -37.370 25.375 -1.293 1.00 0.00 N ATOM 955 CA MET A 66 -37.948 24.061 -1.038 1.00 0.00 C ATOM 956 C MET A 66 -38.066 23.815 0.462 1.00 0.00 C ATOM 957 O MET A 66 -39.084 23.316 0.941 1.00 0.00 O ATOM 958 CB MET A 66 -37.076 22.972 -1.669 1.00 0.00 C ATOM 959 CG MET A 66 -37.026 23.166 -3.187 1.00 0.00 C ATOM 960 SD MET A 66 -36.582 21.600 -3.979 1.00 0.00 S ATOM 961 CE MET A 66 -34.835 21.592 -3.506 1.00 0.00 C ATOM 0 H MET A 66 -36.523 25.364 -1.861 1.00 0.00 H new ATOM 0 HA MET A 66 -38.943 24.029 -1.482 1.00 0.00 H new ATOM 0 HB2 MET A 66 -36.069 23.013 -1.254 1.00 0.00 H new ATOM 0 HB3 MET A 66 -37.479 21.987 -1.432 1.00 0.00 H new ATOM 0 HG2 MET A 66 -37.994 23.510 -3.553 1.00 0.00 H new ATOM 0 HG3 MET A 66 -36.297 23.935 -3.443 1.00 0.00 H new ATOM 0 HE1 MET A 66 -34.328 20.763 -4.000 1.00 0.00 H new ATOM 0 HE2 MET A 66 -34.372 22.532 -3.807 1.00 0.00 H new ATOM 0 HE3 MET A 66 -34.751 21.476 -2.425 1.00 0.00 H new ATOM 971 N ALA A 67 -37.016 24.170 1.197 1.00 0.00 N ATOM 972 CA ALA A 67 -37.013 23.985 2.644 1.00 0.00 C ATOM 973 C ALA A 67 -38.142 24.783 3.287 1.00 0.00 C ATOM 974 O ALA A 67 -38.942 24.242 4.051 1.00 0.00 O ATOM 975 CB ALA A 67 -35.672 24.436 3.225 1.00 0.00 C ATOM 0 H ALA A 67 -36.164 24.584 0.819 1.00 0.00 H new ATOM 0 HA ALA A 67 -37.163 22.927 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -35.678 24.295 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -34.868 23.845 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -35.513 25.490 2.998 1.00 0.00 H new ATOM 981 N LYS A 68 -38.201 26.074 2.972 1.00 0.00 N ATOM 982 CA LYS A 68 -39.239 26.938 3.524 1.00 0.00 C ATOM 983 C LYS A 68 -40.619 26.334 3.286 1.00 0.00 C ATOM 984 O LYS A 68 -41.433 26.240 4.204 1.00 0.00 O ATOM 985 CB LYS A 68 -39.166 28.323 2.874 1.00 0.00 C ATOM 986 CG LYS A 68 -40.034 29.315 3.662 1.00 0.00 C ATOM 987 CD LYS A 68 -39.221 29.923 4.809 1.00 0.00 C ATOM 988 CE LYS A 68 -40.063 30.978 5.528 1.00 0.00 C ATOM 989 NZ LYS A 68 -39.423 31.323 6.829 1.00 0.00 N ATOM 0 H LYS A 68 -37.548 26.541 2.343 1.00 0.00 H new ATOM 0 HA LYS A 68 -39.076 27.032 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -38.133 28.669 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -39.508 28.268 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -40.392 30.104 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -40.914 28.807 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -38.920 29.143 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -38.307 30.374 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -40.155 31.870 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -41.072 30.601 5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -39.995 32.040 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -39.357 30.470 7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -38.469 31.700 6.657 1.00 0.00 H new ATOM 1003 N GLU A 69 -40.875 25.924 2.048 1.00 0.00 N ATOM 1004 CA GLU A 69 -42.161 25.329 1.701 1.00 0.00 C ATOM 1005 C GLU A 69 -42.428 24.096 2.557 1.00 0.00 C ATOM 1006 O GLU A 69 -43.490 23.969 3.166 1.00 0.00 O ATOM 1007 CB GLU A 69 -42.173 24.939 0.221 1.00 0.00 C ATOM 1008 CG GLU A 69 -42.248 26.202 -0.639 1.00 0.00 C ATOM 1009 CD GLU A 69 -43.654 26.790 -0.581 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -44.596 26.041 -0.781 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -43.767 27.980 -0.338 1.00 0.00 O ATOM 0 H GLU A 69 -40.215 25.992 1.273 1.00 0.00 H new ATOM 0 HA GLU A 69 -42.944 26.064 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -41.275 24.372 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -43.025 24.292 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -41.523 26.936 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -41.986 25.966 -1.670 1.00 0.00 H new ATOM 1018 N MET A 70 -41.458 23.188 2.597 1.00 0.00 N ATOM 1019 CA MET A 70 -41.600 21.968 3.382 1.00 0.00 C ATOM 1020 C MET A 70 -41.828 22.301 4.853 1.00 0.00 C ATOM 1021 O MET A 70 -42.859 21.950 5.426 1.00 0.00 O ATOM 1022 CB MET A 70 -40.345 21.105 3.240 1.00 0.00 C ATOM 1023 CG MET A 70 -40.304 20.489 1.841 1.00 0.00 C ATOM 1024 SD MET A 70 -41.532 19.163 1.729 1.00 0.00 S ATOM 1025 CE MET A 70 -40.878 18.373 0.238 1.00 0.00 C ATOM 0 H MET A 70 -40.572 23.273 2.099 1.00 0.00 H new ATOM 0 HA MET A 70 -42.463 21.417 3.008 1.00 0.00 H new ATOM 0 HB2 MET A 70 -39.454 21.710 3.409 1.00 0.00 H new ATOM 0 HB3 MET A 70 -40.344 20.319 3.995 1.00 0.00 H new ATOM 0 HG2 MET A 70 -40.508 21.252 1.090 1.00 0.00 H new ATOM 0 HG3 MET A 70 -39.309 20.096 1.634 1.00 0.00 H new ATOM 0 HE1 MET A 70 -41.496 17.513 -0.019 1.00 0.00 H new ATOM 0 HE2 MET A 70 -40.889 19.086 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 70 -39.855 18.044 0.420 1.00 0.00 H new ATOM 1035 N SER A 71 -40.858 22.980 5.458 1.00 0.00 N ATOM 1036 CA SER A 71 -40.965 23.355 6.864 1.00 0.00 C ATOM 1037 C SER A 71 -42.341 23.943 7.157 1.00 0.00 C ATOM 1038 O SER A 71 -42.959 23.626 8.172 1.00 0.00 O ATOM 1039 CB SER A 71 -39.885 24.377 7.213 1.00 0.00 C ATOM 1040 OG SER A 71 -40.299 25.666 6.778 1.00 0.00 O ATOM 0 H SER A 71 -39.996 23.280 5.002 1.00 0.00 H new ATOM 0 HA SER A 71 -40.828 22.461 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 71 -39.708 24.383 8.289 1.00 0.00 H new ATOM 0 HB3 SER A 71 -38.943 24.105 6.736 1.00 0.00 H new ATOM 0 HG SER A 71 -40.515 25.635 5.823 1.00 0.00 H new ATOM 1046 N GLU A 72 -42.814 24.803 6.261 1.00 0.00 N ATOM 1047 CA GLU A 72 -44.118 25.431 6.431 1.00 0.00 C ATOM 1048 C GLU A 72 -45.234 24.419 6.196 1.00 0.00 C ATOM 1049 O GLU A 72 -46.332 24.553 6.737 1.00 0.00 O ATOM 1050 CB GLU A 72 -44.265 26.599 5.451 1.00 0.00 C ATOM 1051 CG GLU A 72 -45.558 27.364 5.746 1.00 0.00 C ATOM 1052 CD GLU A 72 -46.755 26.615 5.169 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -46.674 26.204 4.023 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -47.734 26.463 5.880 1.00 0.00 O ATOM 0 H GLU A 72 -42.317 25.080 5.414 1.00 0.00 H new ATOM 0 HA GLU A 72 -44.193 25.804 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -43.408 27.268 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -44.278 26.227 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -45.680 27.486 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -45.504 28.364 5.316 1.00 0.00 H new ATOM 1061 N PHE A 73 -44.945 23.406 5.385 1.00 0.00 N ATOM 1062 CA PHE A 73 -45.933 22.376 5.084 1.00 0.00 C ATOM 1063 C PHE A 73 -46.022 21.370 6.228 1.00 0.00 C ATOM 1064 O PHE A 73 -47.104 20.888 6.562 1.00 0.00 O ATOM 1065 CB PHE A 73 -45.553 21.649 3.791 1.00 0.00 C ATOM 1066 CG PHE A 73 -46.745 20.884 3.269 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -47.733 21.547 2.531 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -46.864 19.512 3.522 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -48.839 20.839 2.047 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -47.970 18.804 3.038 1.00 0.00 C ATOM 1071 CZ PHE A 73 -48.957 19.467 2.300 1.00 0.00 C ATOM 0 H PHE A 73 -44.042 23.277 4.928 1.00 0.00 H new ATOM 0 HA PHE A 73 -46.904 22.855 4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -45.214 22.367 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -44.723 20.967 3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -47.642 22.605 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -46.102 19.000 4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -49.601 21.351 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -48.062 17.746 3.234 1.00 0.00 H new ATOM 0 HZ PHE A 73 -49.810 18.920 1.926 1.00 0.00 H new ATOM 1081 N LEU A 74 -44.876 21.059 6.826 1.00 0.00 N ATOM 1082 CA LEU A 74 -44.836 20.110 7.933 1.00 0.00 C ATOM 1083 C LEU A 74 -45.456 20.724 9.184 1.00 0.00 C ATOM 1084 O LEU A 74 -45.654 20.042 10.190 1.00 0.00 O ATOM 1085 CB LEU A 74 -43.388 19.708 8.225 1.00 0.00 C ATOM 1086 CG LEU A 74 -42.749 19.113 6.964 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -41.226 19.141 7.102 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -43.214 17.665 6.780 1.00 0.00 C ATOM 0 H LEU A 74 -43.969 21.447 6.565 1.00 0.00 H new ATOM 0 HA LEU A 74 -45.408 19.226 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -42.820 20.577 8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -43.360 18.980 9.036 1.00 0.00 H new ATOM 0 HG LEU A 74 -43.050 19.702 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -40.772 18.718 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -40.891 20.171 7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -40.929 18.554 7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -42.757 17.247 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -42.917 17.075 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -44.299 17.641 6.679 1.00 0.00 H new