USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 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 NoAdj-H: A 1 SER H1 : A 1 SER N : A 38 GLY C :(NH2R) USER MOD NoAdj-H: A 1 SER H2 : A 1 SER N : A 38 GLY C :(NH2R) USER MOD Single : A 1 SER N :NH3+ -156:sc= -0.0294 (180deg=-0.473) USER MOD Single : A 1 SER OG : rot 48:sc= 0.31 USER MOD Single : A 7 GLN : amide:sc= -0.0523 K(o=-0.052,f=-0.7) USER MOD Single : A 10 THR OG1 : rot -99:sc= 1.26 USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.974 (180deg=-1.32) USER MOD Single : A 20 CYS SG : rot 167:sc= -1.2 USER MOD Single : A 26 GLN : amide:sc= -0.033 K(o=-0.033,f=-0.7) USER MOD Single : A 29 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.832 11.427 1.823 1.00 0.00 N ATOM 2 CA SER A 1 3.900 11.105 0.896 1.00 0.00 C ATOM 3 C SER A 1 3.341 10.418 -0.358 1.00 0.00 C ATOM 4 O SER A 1 3.063 9.214 -0.341 1.00 0.00 O ATOM 5 CB SER A 1 4.925 10.210 1.591 1.00 0.00 C ATOM 6 OG SER A 1 4.290 9.096 2.200 1.00 0.00 O ATOM 0 H3 SER A 1 3.129 12.213 2.436 1.00 0.00 H new ATOM 0 HA SER A 1 4.388 12.027 0.581 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.662 9.863 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.464 10.784 2.345 1.00 0.00 H new ATOM 0 HG SER A 1 3.670 8.684 1.562 1.00 0.00 H new ATOM 12 N PRO A 2 3.154 11.179 -1.455 1.00 0.00 N ATOM 13 CA PRO A 2 2.580 10.658 -2.702 1.00 0.00 C ATOM 14 C PRO A 2 3.440 9.583 -3.366 1.00 0.00 C ATOM 15 O PRO A 2 2.920 8.557 -3.809 1.00 0.00 O ATOM 16 CB PRO A 2 2.478 11.895 -3.606 1.00 0.00 C ATOM 17 CG PRO A 2 2.586 13.056 -2.681 1.00 0.00 C ATOM 18 CD PRO A 2 3.481 12.607 -1.571 1.00 0.00 C ATOM 0 HA PRO A 2 1.625 10.166 -2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.275 11.907 -4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.534 11.910 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.001 13.926 -3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.606 13.346 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.533 12.764 -1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.280 13.146 -0.645 1.00 0.00 H new ATOM 26 N GLU A 3 4.752 9.807 -3.429 1.00 0.00 N ATOM 27 CA GLU A 3 5.645 8.852 -4.078 1.00 0.00 C ATOM 28 C GLU A 3 5.651 7.532 -3.329 1.00 0.00 C ATOM 29 O GLU A 3 5.556 6.460 -3.934 1.00 0.00 O ATOM 30 CB GLU A 3 7.063 9.406 -4.187 1.00 0.00 C ATOM 31 CG GLU A 3 8.000 8.514 -4.985 1.00 0.00 C ATOM 32 CD GLU A 3 9.365 9.123 -5.173 1.00 0.00 C ATOM 33 OE1 GLU A 3 9.542 9.906 -6.127 1.00 0.00 O ATOM 34 OE2 GLU A 3 10.275 8.818 -4.374 1.00 0.00 O ATOM 0 H GLU A 3 5.214 10.631 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 3 5.271 8.680 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.026 10.390 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 3 7.470 9.543 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.102 7.555 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.559 8.313 -5.961 1.00 0.00 H new ATOM 41 N GLU A 4 5.732 7.611 -2.009 1.00 0.00 N ATOM 42 CA GLU A 4 5.708 6.421 -1.181 1.00 0.00 C ATOM 43 C GLU A 4 4.357 5.747 -1.281 1.00 0.00 C ATOM 44 O GLU A 4 4.262 4.523 -1.280 1.00 0.00 O ATOM 45 CB GLU A 4 6.031 6.752 0.279 1.00 0.00 C ATOM 46 CG GLU A 4 7.514 6.963 0.565 1.00 0.00 C ATOM 47 CD GLU A 4 8.127 8.086 -0.236 1.00 0.00 C ATOM 48 OE1 GLU A 4 7.736 9.242 -0.033 1.00 0.00 O ATOM 49 OE2 GLU A 4 9.021 7.814 -1.065 1.00 0.00 O ATOM 0 H GLU A 4 5.815 8.486 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 4 6.476 5.739 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.487 7.653 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.663 5.944 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.645 7.171 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.052 6.039 0.352 1.00 0.00 H new ATOM 56 N ARG A 5 3.308 6.556 -1.395 1.00 0.00 N ATOM 57 CA ARG A 5 1.968 6.042 -1.522 1.00 0.00 C ATOM 58 C ARG A 5 1.830 5.236 -2.793 1.00 0.00 C ATOM 59 O ARG A 5 1.268 4.160 -2.780 1.00 0.00 O ATOM 60 CB ARG A 5 0.950 7.177 -1.510 1.00 0.00 C ATOM 61 CG ARG A 5 -0.476 6.699 -1.376 1.00 0.00 C ATOM 62 CD ARG A 5 -1.449 7.858 -1.326 1.00 0.00 C ATOM 63 NE ARG A 5 -2.827 7.410 -1.124 1.00 0.00 N ATOM 64 CZ ARG A 5 -3.874 8.228 -1.031 1.00 0.00 C ATOM 65 NH1 ARG A 5 -3.707 9.540 -1.160 1.00 0.00 N ATOM 66 NH2 ARG A 5 -5.087 7.737 -0.813 1.00 0.00 N ATOM 0 H ARG A 5 3.372 7.574 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 5 1.772 5.392 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.179 7.852 -0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.048 7.753 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.724 6.051 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.576 6.100 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.166 8.534 -0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.385 8.425 -2.255 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.997 6.407 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.776 9.921 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.509 10.166 -1.089 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.220 6.730 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.887 8.366 -0.742 1.00 0.00 H new ATOM 80 N ALA A 6 2.373 5.754 -3.884 1.00 0.00 N ATOM 81 CA ALA A 6 2.302 5.072 -5.166 1.00 0.00 C ATOM 82 C ALA A 6 2.993 3.713 -5.100 1.00 0.00 C ATOM 83 O ALA A 6 2.472 2.721 -5.605 1.00 0.00 O ATOM 84 CB ALA A 6 2.920 5.933 -6.258 1.00 0.00 C ATOM 0 H ALA A 6 2.868 6.645 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 6 1.252 4.905 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.860 5.409 -7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.379 6.877 -6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.965 6.131 -6.018 1.00 0.00 H new ATOM 90 N GLN A 7 4.151 3.670 -4.456 1.00 0.00 N ATOM 91 CA GLN A 7 4.910 2.429 -4.324 1.00 0.00 C ATOM 92 C GLN A 7 4.209 1.441 -3.387 1.00 0.00 C ATOM 93 O GLN A 7 4.124 0.249 -3.677 1.00 0.00 O ATOM 94 CB GLN A 7 6.323 2.720 -3.814 1.00 0.00 C ATOM 95 CG GLN A 7 7.169 3.551 -4.769 1.00 0.00 C ATOM 96 CD GLN A 7 7.435 2.844 -6.082 1.00 0.00 C ATOM 97 OE1 GLN A 7 7.497 1.613 -6.139 1.00 0.00 O ATOM 98 NE2 GLN A 7 7.607 3.608 -7.139 1.00 0.00 N ATOM 0 H GLN A 7 4.588 4.480 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 7 4.972 1.973 -5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.253 3.242 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.831 1.775 -3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.664 4.497 -4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.119 3.791 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.548 4.622 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.800 3.186 -8.047 1.00 0.00 H new ATOM 107 N LEU A 8 3.721 1.942 -2.268 1.00 0.00 N ATOM 108 CA LEU A 8 3.036 1.109 -1.288 1.00 0.00 C ATOM 109 C LEU A 8 1.669 0.634 -1.788 1.00 0.00 C ATOM 110 O LEU A 8 1.279 -0.512 -1.565 1.00 0.00 O ATOM 111 CB LEU A 8 2.902 1.858 0.032 1.00 0.00 C ATOM 112 CG LEU A 8 4.216 2.076 0.788 1.00 0.00 C ATOM 113 CD1 LEU A 8 4.015 3.020 1.949 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.775 0.752 1.277 1.00 0.00 C ATOM 0 H LEU A 8 3.785 2.927 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 8 3.641 0.216 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.447 2.829 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.216 1.308 0.677 1.00 0.00 H new ATOM 0 HG LEU A 8 4.933 2.524 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.961 3.160 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.659 3.981 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.280 2.601 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.709 0.927 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.057 0.279 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.962 0.099 0.425 1.00 0.00 H new ATOM 126 N LEU A 9 0.955 1.511 -2.476 1.00 0.00 N ATOM 127 CA LEU A 9 -0.357 1.204 -2.977 1.00 0.00 C ATOM 128 C LEU A 9 -0.306 0.171 -4.101 1.00 0.00 C ATOM 129 O LEU A 9 -1.136 -0.736 -4.156 1.00 0.00 O ATOM 130 CB LEU A 9 -1.036 2.468 -3.449 1.00 0.00 C ATOM 131 CG LEU A 9 -2.376 2.263 -4.081 1.00 0.00 C ATOM 132 CD1 LEU A 9 -3.403 1.788 -3.062 1.00 0.00 C ATOM 133 CD2 LEU A 9 -2.833 3.514 -4.774 1.00 0.00 C ATOM 0 H LEU A 9 1.277 2.453 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.935 0.768 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.150 3.141 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.384 2.967 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.277 1.479 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.366 1.649 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.076 0.842 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.503 2.533 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.810 3.343 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.906 4.325 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.116 3.783 -5.549 1.00 0.00 H new ATOM 145 N THR A 10 0.667 0.302 -4.992 1.00 0.00 N ATOM 146 CA THR A 10 0.807 -0.646 -6.083 1.00 0.00 C ATOM 147 C THR A 10 1.137 -2.034 -5.548 1.00 0.00 C ATOM 148 O THR A 10 0.725 -3.041 -6.115 1.00 0.00 O ATOM 149 CB THR A 10 1.869 -0.202 -7.106 1.00 0.00 C ATOM 150 OG1 THR A 10 3.043 0.248 -6.427 1.00 0.00 O ATOM 151 CG2 THR A 10 1.331 0.911 -7.995 1.00 0.00 C ATOM 0 H THR A 10 1.363 1.048 -4.980 1.00 0.00 H new ATOM 0 HA THR A 10 -0.151 -0.682 -6.601 1.00 0.00 H new ATOM 0 HB THR A 10 2.119 -1.058 -7.733 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.038 1.227 -6.379 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.098 1.209 -8.710 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.453 0.554 -8.533 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.057 1.768 -7.380 1.00 0.00 H new ATOM 159 N ALA A 11 1.873 -2.073 -4.443 1.00 0.00 N ATOM 160 CA ALA A 11 2.204 -3.325 -3.780 1.00 0.00 C ATOM 161 C ALA A 11 0.939 -3.991 -3.253 1.00 0.00 C ATOM 162 O ALA A 11 0.791 -5.205 -3.324 1.00 0.00 O ATOM 163 CB ALA A 11 3.194 -3.077 -2.661 1.00 0.00 C ATOM 0 H ALA A 11 2.253 -1.244 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 11 2.667 -3.998 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.434 -4.021 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.104 -2.639 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.757 -2.393 -1.934 1.00 0.00 H new ATOM 169 N ALA A 12 0.017 -3.176 -2.750 1.00 0.00 N ATOM 170 CA ALA A 12 -1.272 -3.662 -2.266 1.00 0.00 C ATOM 171 C ALA A 12 -2.045 -4.305 -3.411 1.00 0.00 C ATOM 172 O ALA A 12 -2.614 -5.392 -3.267 1.00 0.00 O ATOM 173 CB ALA A 12 -2.067 -2.506 -1.690 1.00 0.00 C ATOM 0 H ALA A 12 0.140 -2.167 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.107 -4.407 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.029 -2.870 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.514 -2.060 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.230 -1.755 -2.463 1.00 0.00 H new ATOM 179 N GLU A 13 -2.035 -3.637 -4.553 1.00 0.00 N ATOM 180 CA GLU A 13 -2.715 -4.119 -5.747 1.00 0.00 C ATOM 181 C GLU A 13 -2.043 -5.397 -6.262 1.00 0.00 C ATOM 182 O GLU A 13 -2.714 -6.346 -6.675 1.00 0.00 O ATOM 183 CB GLU A 13 -2.717 -3.010 -6.813 1.00 0.00 C ATOM 184 CG GLU A 13 -3.519 -3.321 -8.067 1.00 0.00 C ATOM 185 CD GLU A 13 -2.645 -3.720 -9.232 1.00 0.00 C ATOM 186 OE1 GLU A 13 -1.917 -2.852 -9.759 1.00 0.00 O ATOM 187 OE2 GLU A 13 -2.690 -4.895 -9.639 1.00 0.00 O ATOM 0 H GLU A 13 -1.556 -2.746 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.749 -4.369 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.112 -2.098 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.686 -2.803 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.223 -4.126 -7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.109 -2.447 -8.343 1.00 0.00 H new ATOM 194 N LYS A 14 -0.720 -5.424 -6.204 1.00 0.00 N ATOM 195 CA LYS A 14 0.043 -6.588 -6.626 1.00 0.00 C ATOM 196 C LYS A 14 -0.181 -7.766 -5.687 1.00 0.00 C ATOM 197 O LYS A 14 -0.178 -8.916 -6.115 1.00 0.00 O ATOM 198 CB LYS A 14 1.528 -6.256 -6.721 1.00 0.00 C ATOM 199 CG LYS A 14 1.866 -5.351 -7.885 1.00 0.00 C ATOM 200 CD LYS A 14 3.362 -5.218 -8.065 1.00 0.00 C ATOM 201 CE LYS A 14 3.698 -4.233 -9.165 1.00 0.00 C ATOM 202 NZ LYS A 14 3.237 -2.864 -8.838 1.00 0.00 N ATOM 0 H LYS A 14 -0.150 -4.648 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.311 -6.875 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.846 -5.779 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.095 -7.182 -6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.422 -5.749 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.429 -4.366 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.815 -4.890 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.790 -6.192 -8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.776 -4.224 -9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.237 -4.559 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.868 -2.169 -9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.268 -2.730 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.251 -2.730 -7.807 1.00 0.00 H new ATOM 216 N ALA A 15 -0.374 -7.476 -4.410 1.00 0.00 N ATOM 217 CA ALA A 15 -0.648 -8.509 -3.423 1.00 0.00 C ATOM 218 C ALA A 15 -1.970 -9.196 -3.729 1.00 0.00 C ATOM 219 O ALA A 15 -2.125 -10.395 -3.508 1.00 0.00 O ATOM 220 CB ALA A 15 -0.663 -7.918 -2.032 1.00 0.00 C ATOM 0 H ALA A 15 -0.346 -6.529 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 15 0.145 -9.255 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.869 -8.704 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.307 -7.470 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.438 -7.154 -1.970 1.00 0.00 H new ATOM 226 N ASP A 16 -2.924 -8.425 -4.241 1.00 0.00 N ATOM 227 CA ASP A 16 -4.209 -8.979 -4.658 1.00 0.00 C ATOM 228 C ASP A 16 -3.994 -9.876 -5.850 1.00 0.00 C ATOM 229 O ASP A 16 -4.557 -10.963 -5.941 1.00 0.00 O ATOM 230 CB ASP A 16 -5.186 -7.868 -5.030 1.00 0.00 C ATOM 231 CG ASP A 16 -6.498 -8.409 -5.572 1.00 0.00 C ATOM 232 OD1 ASP A 16 -7.397 -8.710 -4.772 1.00 0.00 O ATOM 233 OD2 ASP A 16 -6.634 -8.530 -6.810 1.00 0.00 O ATOM 0 H ASP A 16 -2.833 -7.418 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.632 -9.546 -3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.384 -7.253 -4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.727 -7.219 -5.776 1.00 0.00 H new ATOM 238 N GLU A 17 -3.151 -9.410 -6.754 1.00 0.00 N ATOM 239 CA GLU A 17 -2.790 -10.146 -7.944 1.00 0.00 C ATOM 240 C GLU A 17 -2.103 -11.465 -7.572 1.00 0.00 C ATOM 241 O GLU A 17 -2.280 -12.481 -8.242 1.00 0.00 O ATOM 242 CB GLU A 17 -1.854 -9.286 -8.790 1.00 0.00 C ATOM 243 CG GLU A 17 -1.606 -9.821 -10.173 1.00 0.00 C ATOM 244 CD GLU A 17 -0.752 -8.895 -11.003 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.491 -9.036 -10.977 1.00 0.00 O ATOM 246 OE2 GLU A 17 -1.317 -8.019 -11.690 1.00 0.00 O ATOM 0 H GLU A 17 -2.695 -8.501 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.690 -10.381 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.274 -8.283 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.899 -9.191 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.119 -10.794 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.560 -9.979 -10.675 1.00 0.00 H new ATOM 253 N LEU A 18 -1.335 -11.440 -6.490 1.00 0.00 N ATOM 254 CA LEU A 18 -0.642 -12.624 -6.008 1.00 0.00 C ATOM 255 C LEU A 18 -1.562 -13.480 -5.145 1.00 0.00 C ATOM 256 O LEU A 18 -1.298 -14.659 -4.914 1.00 0.00 O ATOM 257 CB LEU A 18 0.591 -12.217 -5.213 1.00 0.00 C ATOM 258 CG LEU A 18 1.667 -11.474 -6.001 1.00 0.00 C ATOM 259 CD1 LEU A 18 2.870 -11.223 -5.128 1.00 0.00 C ATOM 260 CD2 LEU A 18 2.064 -12.252 -7.248 1.00 0.00 C ATOM 0 H LEU A 18 -1.177 -10.604 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.334 -13.216 -6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.274 -11.587 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.036 -13.114 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 18 1.259 -10.515 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.631 -10.693 -5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.577 -10.620 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.274 -12.175 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.832 -11.701 -7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.454 -13.228 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.191 -12.384 -7.887 1.00 0.00 H new ATOM 272 N GLY A 19 -2.647 -12.880 -4.684 1.00 0.00 N ATOM 273 CA GLY A 19 -3.612 -13.588 -3.873 1.00 0.00 C ATOM 274 C GLY A 19 -3.099 -13.907 -2.481 1.00 0.00 C ATOM 275 O GLY A 19 -3.452 -14.936 -1.911 1.00 0.00 O ATOM 0 H GLY A 19 -2.878 -11.902 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.519 -12.989 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.888 -14.516 -4.374 1.00 0.00 H new ATOM 279 N CYS A 20 -2.274 -13.032 -1.931 1.00 0.00 N ATOM 280 CA CYS A 20 -1.738 -13.231 -0.591 1.00 0.00 C ATOM 281 C CYS A 20 -2.415 -12.289 0.408 1.00 0.00 C ATOM 282 O CYS A 20 -2.080 -11.115 0.484 1.00 0.00 O ATOM 283 CB CYS A 20 -0.222 -13.034 -0.589 1.00 0.00 C ATOM 284 SG CYS A 20 0.347 -11.564 -1.478 1.00 0.00 S ATOM 0 H CYS A 20 -1.960 -12.177 -2.390 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.949 -14.255 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.122 -12.974 0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.246 -13.914 -1.031 1.00 0.00 H new ATOM 0 HG CYS A 20 1.596 -11.341 -1.193 1.00 0.00 H new ATOM 290 N PRO A 21 -3.380 -12.806 1.193 1.00 0.00 N ATOM 291 CA PRO A 21 -4.180 -11.992 2.126 1.00 0.00 C ATOM 292 C PRO A 21 -3.362 -11.311 3.234 1.00 0.00 C ATOM 293 O PRO A 21 -3.620 -10.151 3.574 1.00 0.00 O ATOM 294 CB PRO A 21 -5.167 -12.999 2.732 1.00 0.00 C ATOM 295 CG PRO A 21 -4.533 -14.330 2.525 1.00 0.00 C ATOM 296 CD PRO A 21 -3.767 -14.227 1.241 1.00 0.00 C ATOM 0 HA PRO A 21 -4.650 -11.160 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.333 -12.801 3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.139 -12.944 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.872 -14.581 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.286 -15.116 2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.896 -14.882 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.379 -14.507 0.383 1.00 0.00 H new ATOM 304 N GLU A 22 -2.380 -12.017 3.783 1.00 0.00 N ATOM 305 CA GLU A 22 -1.581 -11.477 4.881 1.00 0.00 C ATOM 306 C GLU A 22 -0.749 -10.292 4.407 1.00 0.00 C ATOM 307 O GLU A 22 -0.659 -9.261 5.086 1.00 0.00 O ATOM 308 CB GLU A 22 -0.673 -12.561 5.470 1.00 0.00 C ATOM 309 CG GLU A 22 0.026 -12.150 6.751 1.00 0.00 C ATOM 310 CD GLU A 22 -0.946 -11.801 7.853 1.00 0.00 C ATOM 311 OE1 GLU A 22 -1.376 -12.717 8.578 1.00 0.00 O ATOM 312 OE2 GLU A 22 -1.288 -10.607 8.001 1.00 0.00 O ATOM 0 H GLU A 22 -2.118 -12.958 3.490 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.261 -11.133 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.268 -13.454 5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.079 -12.833 4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.673 -12.961 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.668 -11.292 6.552 1.00 0.00 H new ATOM 319 N GLU A 23 -0.154 -10.438 3.237 1.00 0.00 N ATOM 320 CA GLU A 23 0.643 -9.375 2.655 1.00 0.00 C ATOM 321 C GLU A 23 -0.254 -8.279 2.117 1.00 0.00 C ATOM 322 O GLU A 23 0.041 -7.102 2.261 1.00 0.00 O ATOM 323 CB GLU A 23 1.527 -9.914 1.536 1.00 0.00 C ATOM 324 CG GLU A 23 2.529 -10.955 1.988 1.00 0.00 C ATOM 325 CD GLU A 23 3.383 -11.457 0.851 1.00 0.00 C ATOM 326 OE1 GLU A 23 2.993 -12.446 0.200 1.00 0.00 O ATOM 327 OE2 GLU A 23 4.450 -10.855 0.591 1.00 0.00 O ATOM 0 H GLU A 23 -0.208 -11.285 2.671 1.00 0.00 H new ATOM 0 HA GLU A 23 1.281 -8.963 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.893 -10.347 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.064 -9.083 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.169 -10.529 2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.000 -11.794 2.440 1.00 0.00 H new ATOM 334 N ARG A 24 -1.372 -8.683 1.524 1.00 0.00 N ATOM 335 CA ARG A 24 -2.317 -7.750 0.928 1.00 0.00 C ATOM 336 C ARG A 24 -2.843 -6.777 1.960 1.00 0.00 C ATOM 337 O ARG A 24 -2.894 -5.580 1.715 1.00 0.00 O ATOM 338 CB ARG A 24 -3.484 -8.516 0.306 1.00 0.00 C ATOM 339 CG ARG A 24 -4.498 -7.642 -0.396 1.00 0.00 C ATOM 340 CD ARG A 24 -5.680 -8.458 -0.884 1.00 0.00 C ATOM 341 NE ARG A 24 -6.679 -7.629 -1.554 1.00 0.00 N ATOM 342 CZ ARG A 24 -7.935 -8.010 -1.796 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.359 -9.212 -1.406 1.00 0.00 N ATOM 344 NH2 ARG A 24 -8.766 -7.192 -2.427 1.00 0.00 N ATOM 0 H ARG A 24 -1.647 -9.662 1.444 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.795 -7.186 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.089 -9.239 -0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.989 -9.083 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.845 -6.865 0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.026 -7.139 -1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.330 -9.229 -1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.141 -8.969 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.398 -6.697 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.723 -9.844 -0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.320 -9.499 -1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.445 -6.272 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.726 -7.483 -2.612 1.00 0.00 H new ATOM 358 N ALA A 25 -3.198 -7.290 3.122 1.00 0.00 N ATOM 359 CA ALA A 25 -3.731 -6.459 4.180 1.00 0.00 C ATOM 360 C ALA A 25 -2.688 -5.463 4.670 1.00 0.00 C ATOM 361 O ALA A 25 -2.982 -4.284 4.846 1.00 0.00 O ATOM 362 CB ALA A 25 -4.226 -7.321 5.326 1.00 0.00 C ATOM 0 H ALA A 25 -3.126 -8.280 3.356 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.572 -5.893 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.624 -6.683 6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.010 -7.988 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.399 -7.912 5.720 1.00 0.00 H new ATOM 368 N GLN A 26 -1.461 -5.933 4.850 1.00 0.00 N ATOM 369 CA GLN A 26 -0.388 -5.089 5.335 1.00 0.00 C ATOM 370 C GLN A 26 0.001 -4.044 4.290 1.00 0.00 C ATOM 371 O GLN A 26 0.200 -2.872 4.614 1.00 0.00 O ATOM 372 CB GLN A 26 0.819 -5.949 5.715 1.00 0.00 C ATOM 373 CG GLN A 26 2.020 -5.157 6.190 1.00 0.00 C ATOM 374 CD GLN A 26 1.714 -4.284 7.395 1.00 0.00 C ATOM 375 OE1 GLN A 26 0.848 -4.608 8.216 1.00 0.00 O ATOM 376 NE2 GLN A 26 2.420 -3.176 7.511 1.00 0.00 N ATOM 0 H GLN A 26 -1.188 -6.898 4.665 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.736 -4.559 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.523 -6.645 6.500 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.111 -6.548 4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.826 -5.846 6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.380 -4.529 5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.125 -2.945 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.261 -2.550 8.300 1.00 0.00 H new ATOM 385 N LEU A 27 0.075 -4.467 3.040 1.00 0.00 N ATOM 386 CA LEU A 27 0.419 -3.575 1.951 1.00 0.00 C ATOM 387 C LEU A 27 -0.674 -2.538 1.728 1.00 0.00 C ATOM 388 O LEU A 27 -0.393 -1.391 1.382 1.00 0.00 O ATOM 389 CB LEU A 27 0.697 -4.370 0.690 1.00 0.00 C ATOM 390 CG LEU A 27 2.015 -5.148 0.708 1.00 0.00 C ATOM 391 CD1 LEU A 27 2.046 -6.152 -0.407 1.00 0.00 C ATOM 392 CD2 LEU A 27 3.196 -4.200 0.590 1.00 0.00 C ATOM 0 H LEU A 27 -0.100 -5.430 2.755 1.00 0.00 H new ATOM 0 HA LEU A 27 1.327 -3.035 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.122 -5.071 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.704 -3.688 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 27 2.087 -5.677 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.990 -6.697 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.219 -6.853 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.951 -5.637 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.124 -4.771 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.126 -3.646 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.187 -3.501 1.427 1.00 0.00 H new ATOM 404 N LEU A 28 -1.921 -2.941 1.942 1.00 0.00 N ATOM 405 CA LEU A 28 -3.042 -2.022 1.841 1.00 0.00 C ATOM 406 C LEU A 28 -2.975 -0.984 2.948 1.00 0.00 C ATOM 407 O LEU A 28 -3.251 0.188 2.725 1.00 0.00 O ATOM 408 CB LEU A 28 -4.363 -2.770 1.889 1.00 0.00 C ATOM 409 CG LEU A 28 -4.807 -3.387 0.570 1.00 0.00 C ATOM 410 CD1 LEU A 28 -5.865 -4.425 0.812 1.00 0.00 C ATOM 411 CD2 LEU A 28 -5.334 -2.310 -0.370 1.00 0.00 C ATOM 0 H LEU A 28 -2.178 -3.897 2.186 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.979 -1.511 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.287 -3.561 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.138 -2.084 2.230 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.945 -3.865 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.174 -4.858 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.465 -5.209 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.725 -3.962 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.647 -2.768 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.185 -1.809 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.547 -1.582 -0.566 1.00 0.00 H new ATOM 423 N THR A 29 -2.587 -1.420 4.141 1.00 0.00 N ATOM 424 CA THR A 29 -2.430 -0.513 5.261 1.00 0.00 C ATOM 425 C THR A 29 -1.289 0.464 4.981 1.00 0.00 C ATOM 426 O THR A 29 -1.349 1.631 5.354 1.00 0.00 O ATOM 427 CB THR A 29 -2.158 -1.284 6.566 1.00 0.00 C ATOM 428 OG1 THR A 29 -3.166 -2.287 6.741 1.00 0.00 O ATOM 429 CG2 THR A 29 -2.171 -0.347 7.765 1.00 0.00 C ATOM 0 H THR A 29 -2.377 -2.395 4.353 1.00 0.00 H new ATOM 0 HA THR A 29 -3.360 0.042 5.385 1.00 0.00 H new ATOM 0 HB THR A 29 -1.173 -1.745 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.982 -3.043 6.145 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.976 -0.916 8.674 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.400 0.413 7.641 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.146 0.134 7.840 1.00 0.00 H new ATOM 437 N ALA A 30 -0.257 -0.025 4.298 1.00 0.00 N ATOM 438 CA ALA A 30 0.863 0.807 3.898 1.00 0.00 C ATOM 439 C ALA A 30 0.394 1.895 2.936 1.00 0.00 C ATOM 440 O ALA A 30 0.829 3.044 3.013 1.00 0.00 O ATOM 441 CB ALA A 30 1.943 -0.043 3.267 1.00 0.00 C ATOM 0 H ALA A 30 -0.178 -1.001 4.011 1.00 0.00 H new ATOM 0 HA ALA A 30 1.280 1.290 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.778 0.591 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.288 -0.785 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.542 -0.548 2.389 1.00 0.00 H new ATOM 447 N ALA A 31 -0.522 1.520 2.045 1.00 0.00 N ATOM 448 CA ALA A 31 -1.118 2.452 1.095 1.00 0.00 C ATOM 449 C ALA A 31 -1.849 3.569 1.839 1.00 0.00 C ATOM 450 O ALA A 31 -1.743 4.748 1.487 1.00 0.00 O ATOM 451 CB ALA A 31 -2.092 1.710 0.200 1.00 0.00 C ATOM 0 H ALA A 31 -0.870 0.565 1.963 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.328 2.893 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.537 2.407 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.563 0.927 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.877 1.262 0.809 1.00 0.00 H new ATOM 457 N GLU A 32 -2.580 3.178 2.879 1.00 0.00 N ATOM 458 CA GLU A 32 -3.354 4.110 3.694 1.00 0.00 C ATOM 459 C GLU A 32 -2.438 4.969 4.564 1.00 0.00 C ATOM 460 O GLU A 32 -2.671 6.170 4.736 1.00 0.00 O ATOM 461 CB GLU A 32 -4.331 3.336 4.582 1.00 0.00 C ATOM 462 CG GLU A 32 -5.184 2.336 3.824 1.00 0.00 C ATOM 463 CD GLU A 32 -6.087 1.523 4.726 1.00 0.00 C ATOM 464 OE1 GLU A 32 -5.568 0.780 5.595 1.00 0.00 O ATOM 465 OE2 GLU A 32 -7.321 1.601 4.557 1.00 0.00 O ATOM 0 H GLU A 32 -2.653 2.206 3.181 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.909 4.768 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.768 2.809 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.984 4.044 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.793 2.867 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.534 1.661 3.267 1.00 0.00 H new ATOM 472 N LYS A 33 -1.398 4.350 5.106 1.00 0.00 N ATOM 473 CA LYS A 33 -0.454 5.044 5.968 1.00 0.00 C ATOM 474 C LYS A 33 0.302 6.110 5.195 1.00 0.00 C ATOM 475 O LYS A 33 0.522 7.212 5.694 1.00 0.00 O ATOM 476 CB LYS A 33 0.524 4.056 6.604 1.00 0.00 C ATOM 477 CG LYS A 33 1.471 4.694 7.604 1.00 0.00 C ATOM 478 CD LYS A 33 2.385 3.666 8.236 1.00 0.00 C ATOM 479 CE LYS A 33 3.290 4.304 9.273 1.00 0.00 C ATOM 480 NZ LYS A 33 4.189 3.313 9.910 1.00 0.00 N ATOM 0 H LYS A 33 -1.187 3.363 4.962 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.020 5.532 6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.041 3.269 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.108 3.579 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.069 5.456 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.896 5.198 8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.788 2.882 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.990 3.190 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.887 5.085 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.681 4.786 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.790 3.790 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.620 2.581 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.788 2.871 9.184 1.00 0.00 H new ATOM 494 N ALA A 34 0.682 5.783 3.968 1.00 0.00 N ATOM 495 CA ALA A 34 1.388 6.719 3.109 1.00 0.00 C ATOM 496 C ALA A 34 0.543 7.961 2.863 1.00 0.00 C ATOM 497 O ALA A 34 1.063 9.073 2.754 1.00 0.00 O ATOM 498 CB ALA A 34 1.751 6.055 1.804 1.00 0.00 C ATOM 0 H ALA A 34 0.511 4.871 3.545 1.00 0.00 H new ATOM 0 HA ALA A 34 2.306 7.027 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.279 6.766 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.393 5.196 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.843 5.723 1.300 1.00 0.00 H new ATOM 504 N ASP A 35 -0.765 7.759 2.773 1.00 0.00 N ATOM 505 CA ASP A 35 -1.709 8.855 2.609 1.00 0.00 C ATOM 506 C ASP A 35 -1.681 9.760 3.834 1.00 0.00 C ATOM 507 O ASP A 35 -1.640 10.986 3.715 1.00 0.00 O ATOM 508 CB ASP A 35 -3.122 8.310 2.386 1.00 0.00 C ATOM 509 CG ASP A 35 -4.195 9.365 2.567 1.00 0.00 C ATOM 510 OD1 ASP A 35 -4.379 10.200 1.661 1.00 0.00 O ATOM 511 OD2 ASP A 35 -4.866 9.352 3.621 1.00 0.00 O ATOM 0 H ASP A 35 -1.199 6.837 2.811 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.419 9.438 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.192 7.896 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.304 7.490 3.081 1.00 0.00 H new ATOM 516 N GLU A 36 -1.676 9.143 5.013 1.00 0.00 N ATOM 517 CA GLU A 36 -1.625 9.884 6.267 1.00 0.00 C ATOM 518 C GLU A 36 -0.294 10.605 6.425 1.00 0.00 C ATOM 519 O GLU A 36 -0.218 11.653 7.063 1.00 0.00 O ATOM 520 CB GLU A 36 -1.863 8.963 7.460 1.00 0.00 C ATOM 521 CG GLU A 36 -3.282 8.440 7.563 1.00 0.00 C ATOM 522 CD GLU A 36 -3.520 7.692 8.851 1.00 0.00 C ATOM 523 OE1 GLU A 36 -3.398 8.307 9.929 1.00 0.00 O ATOM 524 OE2 GLU A 36 -3.836 6.488 8.798 1.00 0.00 O ATOM 0 H GLU A 36 -1.707 8.130 5.124 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.421 10.628 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.179 8.117 7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.618 9.501 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.981 9.274 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.487 7.782 6.719 1.00 0.00 H new ATOM 531 N LEU A 37 0.754 10.040 5.842 1.00 0.00 N ATOM 532 CA LEU A 37 2.072 10.649 5.888 1.00 0.00 C ATOM 533 C LEU A 37 2.178 11.777 4.874 1.00 0.00 C ATOM 534 O LEU A 37 3.099 12.591 4.929 1.00 0.00 O ATOM 535 CB LEU A 37 3.143 9.612 5.603 1.00 0.00 C ATOM 536 CG LEU A 37 3.209 8.440 6.572 1.00 0.00 C ATOM 537 CD1 LEU A 37 4.377 7.558 6.224 1.00 0.00 C ATOM 538 CD2 LEU A 37 3.312 8.927 8.011 1.00 0.00 C ATOM 0 H LEU A 37 0.715 9.158 5.331 1.00 0.00 H new ATOM 0 HA LEU A 37 2.221 11.056 6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.983 9.219 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.112 10.111 5.600 1.00 0.00 H new ATOM 0 HG LEU A 37 2.289 7.862 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.421 6.720 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.258 7.180 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.300 8.134 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.358 8.070 8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.214 9.528 8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.438 9.532 8.254 1.00 0.00 H new ATOM 550 N GLY A 38 1.227 11.820 3.950 1.00 0.00 N ATOM 551 CA GLY A 38 1.225 12.845 2.930 1.00 0.00 C ATOM 552 C GLY A 38 2.332 12.649 1.917 1.00 0.00 C ATOM 553 O GLY A 38 2.729 13.593 1.236 1.00 0.00 O ATOM 0 H GLY A 38 0.453 11.158 3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.263 12.843 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.334 13.822 3.400 1.00 0.00 H new TER 557 GLY A 38