USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 178:sc= -0.495 (180deg=-0.532) USER MOD Single : A 1 MET N :NH3+ -175:sc=0.000661 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.595 K(o=-0.59,f=-2.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -140:sc= -2.91! USER MOD Single : A 12 THR OG1 : rot -134:sc= -0.297 USER MOD Single : A 13 LYS NZ :NH3+ 179:sc= -5.9! (180deg=-5.9!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.7!) USER MOD Single : A 18 SER OG : rot 61:sc= 1.03 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -113:sc= -2.07! (180deg=-4.68!) USER MOD Single : A 24 ASN : amide:sc= -2.2! C(o=-2.2!,f=-9.1!) USER MOD Single : A 29 THR OG1 : rot 61:sc= 0.69 USER MOD Single : A 33 SER OG : rot -159:sc= -3.12! USER MOD Single : A 45 ASN : amide:sc= -5.11! C(o=-5.1!,f=-6.8!) USER MOD Single : A 51 THR OG1 : rot 84:sc= 1.16 USER MOD Single : A 55 LYS NZ :NH3+ -144:sc= -0.166 (180deg=-1.04) USER MOD Single : A 56 SER OG : rot -53:sc= 0.061 USER MOD Single : A 57 ASN : amide:sc= -22.8! C(o=-23!,f=-22!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.220 -7.212 -7.447 1.00 0.00 N ATOM 2 CA MET A 1 -10.238 -6.134 -7.135 1.00 0.00 C ATOM 3 C MET A 1 -10.347 -5.730 -5.662 1.00 0.00 C ATOM 4 O MET A 1 -9.443 -5.946 -4.880 1.00 0.00 O ATOM 5 CB MET A 1 -10.629 -4.967 -8.042 1.00 0.00 C ATOM 6 CG MET A 1 -9.507 -4.708 -9.050 1.00 0.00 C ATOM 7 SD MET A 1 -9.068 -6.257 -9.875 1.00 0.00 S ATOM 8 CE MET A 1 -7.692 -5.609 -10.855 1.00 0.00 C ATOM 0 H1 MET A 1 -11.080 -7.537 -8.425 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.080 -8.009 -6.794 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.186 -6.843 -7.340 1.00 0.00 H new ATOM 0 HA MET A 1 -9.209 -6.452 -7.302 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.558 -5.194 -8.565 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.810 -4.073 -7.445 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.828 -3.970 -9.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.636 -4.294 -8.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.240 -6.419 -11.427 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.060 -4.844 -11.538 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.946 -5.173 -10.191 1.00 0.00 H new ATOM 20 N ASP A 2 -11.450 -5.148 -5.276 1.00 0.00 N ATOM 21 CA ASP A 2 -11.616 -4.735 -3.853 1.00 0.00 C ATOM 22 C ASP A 2 -11.458 -5.946 -2.931 1.00 0.00 C ATOM 23 O ASP A 2 -10.849 -6.936 -3.287 1.00 0.00 O ATOM 24 CB ASP A 2 -13.037 -4.177 -3.767 1.00 0.00 C ATOM 25 CG ASP A 2 -13.265 -3.180 -4.905 1.00 0.00 C ATOM 26 OD1 ASP A 2 -12.302 -2.844 -5.573 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.399 -2.768 -5.088 1.00 0.00 O ATOM 0 H ASP A 2 -12.243 -4.941 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.871 -4.002 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.762 -4.989 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.189 -3.688 -2.805 1.00 0.00 H new ATOM 32 N ASP A 3 -12.006 -5.877 -1.748 1.00 0.00 N ATOM 33 CA ASP A 3 -11.896 -7.023 -0.801 1.00 0.00 C ATOM 34 C ASP A 3 -10.429 -7.430 -0.608 1.00 0.00 C ATOM 35 O ASP A 3 -9.776 -7.006 0.324 1.00 0.00 O ATOM 36 CB ASP A 3 -12.681 -8.157 -1.462 1.00 0.00 C ATOM 37 CG ASP A 3 -14.177 -7.839 -1.408 1.00 0.00 C ATOM 38 OD1 ASP A 3 -14.590 -7.184 -0.466 1.00 0.00 O ATOM 39 OD2 ASP A 3 -14.883 -8.256 -2.311 1.00 0.00 O ATOM 0 H ASP A 3 -12.527 -5.074 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.283 -6.773 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.361 -8.280 -2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.480 -9.099 -0.952 1.00 0.00 H new ATOM 44 N GLN A 4 -9.915 -8.260 -1.476 1.00 0.00 N ATOM 45 CA GLN A 4 -8.496 -8.707 -1.337 1.00 0.00 C ATOM 46 C GLN A 4 -7.527 -7.591 -1.736 1.00 0.00 C ATOM 47 O GLN A 4 -6.356 -7.632 -1.415 1.00 0.00 O ATOM 48 CB GLN A 4 -8.366 -9.893 -2.293 1.00 0.00 C ATOM 49 CG GLN A 4 -7.257 -10.826 -1.803 1.00 0.00 C ATOM 50 CD GLN A 4 -7.580 -11.301 -0.385 1.00 0.00 C ATOM 51 OE1 GLN A 4 -8.723 -11.289 0.028 1.00 0.00 O ATOM 52 NE2 GLN A 4 -6.614 -11.722 0.384 1.00 0.00 N ATOM 0 H GLN A 4 -10.415 -8.648 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.253 -8.972 -0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.311 -10.433 -2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.140 -9.539 -3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.164 -11.681 -2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.299 -10.307 -1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.654 -11.732 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.818 -12.041 1.331 1.00 0.00 H new ATOM 61 N GLY A 5 -7.998 -6.596 -2.436 1.00 0.00 N ATOM 62 CA GLY A 5 -7.090 -5.487 -2.854 1.00 0.00 C ATOM 63 C GLY A 5 -6.510 -4.798 -1.616 1.00 0.00 C ATOM 64 O GLY A 5 -5.938 -5.433 -0.753 1.00 0.00 O ATOM 0 H GLY A 5 -8.968 -6.501 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.284 -5.879 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.637 -4.765 -3.460 1.00 0.00 H new ATOM 68 N CYS A 6 -6.654 -3.499 -1.534 1.00 0.00 N ATOM 69 CA CYS A 6 -6.126 -2.737 -0.370 1.00 0.00 C ATOM 70 C CYS A 6 -6.176 -3.557 0.929 1.00 0.00 C ATOM 71 O CYS A 6 -7.188 -3.601 1.594 1.00 0.00 O ATOM 72 CB CYS A 6 -7.050 -1.511 -0.266 1.00 0.00 C ATOM 73 SG CYS A 6 -6.907 -0.798 1.372 1.00 0.00 S ATOM 0 H CYS A 6 -7.123 -2.929 -2.238 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.078 -2.473 -0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.780 -0.773 -1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.082 -1.802 -0.459 1.00 0.00 H new ATOM 78 N PRO A 7 -5.063 -4.149 1.263 1.00 0.00 N ATOM 79 CA PRO A 7 -4.969 -4.933 2.516 1.00 0.00 C ATOM 80 C PRO A 7 -4.777 -4.001 3.729 1.00 0.00 C ATOM 81 O PRO A 7 -5.433 -4.143 4.742 1.00 0.00 O ATOM 82 CB PRO A 7 -3.725 -5.790 2.304 1.00 0.00 C ATOM 83 CG PRO A 7 -2.887 -5.034 1.318 1.00 0.00 C ATOM 84 CD PRO A 7 -3.809 -4.161 0.504 1.00 0.00 C ATOM 0 HA PRO A 7 -5.866 -5.518 2.719 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.189 -5.943 3.240 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.987 -6.777 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.143 -4.427 1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.343 -5.723 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.405 -3.155 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.955 -4.563 -0.499 1.00 0.00 H new ATOM 92 N ARG A 8 -3.863 -3.067 3.639 1.00 0.00 N ATOM 93 CA ARG A 8 -3.599 -2.142 4.792 1.00 0.00 C ATOM 94 C ARG A 8 -4.842 -1.316 5.176 1.00 0.00 C ATOM 95 O ARG A 8 -5.249 -1.318 6.321 1.00 0.00 O ATOM 96 CB ARG A 8 -2.448 -1.230 4.333 1.00 0.00 C ATOM 97 CG ARG A 8 -1.547 -0.911 5.528 1.00 0.00 C ATOM 98 CD ARG A 8 -0.155 -1.500 5.291 1.00 0.00 C ATOM 99 NE ARG A 8 0.758 -0.677 6.133 1.00 0.00 N ATOM 100 CZ ARG A 8 0.523 -0.542 7.409 1.00 0.00 C ATOM 101 NH1 ARG A 8 -0.265 0.410 7.832 1.00 0.00 N ATOM 102 NH2 ARG A 8 1.075 -1.358 8.265 1.00 0.00 N ATOM 0 H ARG A 8 -3.285 -2.902 2.815 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.342 -2.705 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.871 -1.720 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.846 -0.309 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.478 0.168 5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.977 -1.323 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.117 -2.551 5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.123 -1.446 4.238 1.00 0.00 H new ATOM 0 HE ARG A 8 1.566 -0.219 5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.697 1.049 7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.448 0.515 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.691 -2.102 7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.891 -1.252 9.263 1.00 0.00 H new ATOM 116 N CYS A 9 -5.449 -0.604 4.259 1.00 0.00 N ATOM 117 CA CYS A 9 -6.655 0.208 4.650 1.00 0.00 C ATOM 118 C CYS A 9 -7.943 -0.330 4.018 1.00 0.00 C ATOM 119 O CYS A 9 -8.836 0.434 3.741 1.00 0.00 O ATOM 120 CB CYS A 9 -6.429 1.666 4.177 1.00 0.00 C ATOM 121 SG CYS A 9 -4.953 1.876 3.127 1.00 0.00 S ATOM 0 H CYS A 9 -5.175 -0.546 3.278 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.773 0.152 5.732 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.307 2.000 3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.338 2.312 5.050 1.00 0.00 H new ATOM 126 N LYS A 10 -8.025 -1.624 3.777 1.00 0.00 N ATOM 127 CA LYS A 10 -9.244 -2.253 3.135 1.00 0.00 C ATOM 128 C LYS A 10 -10.378 -1.247 2.877 1.00 0.00 C ATOM 129 O LYS A 10 -11.419 -1.300 3.502 1.00 0.00 O ATOM 130 CB LYS A 10 -9.703 -3.313 4.134 1.00 0.00 C ATOM 131 CG LYS A 10 -10.250 -2.629 5.387 1.00 0.00 C ATOM 132 CD LYS A 10 -11.589 -3.261 5.771 1.00 0.00 C ATOM 133 CE LYS A 10 -11.378 -4.738 6.111 1.00 0.00 C ATOM 134 NZ LYS A 10 -12.604 -5.424 5.621 1.00 0.00 N ATOM 0 H LYS A 10 -7.284 -2.288 4.002 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.993 -2.657 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.472 -3.942 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.870 -3.965 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.540 -2.729 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.378 -1.562 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.018 -2.738 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.298 -3.164 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.485 -5.131 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.247 -4.881 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.534 -6.443 5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.437 -5.034 6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.699 -5.276 4.596 1.00 0.00 H new ATOM 148 N THR A 11 -10.200 -0.329 1.964 1.00 0.00 N ATOM 149 CA THR A 11 -11.290 0.656 1.712 1.00 0.00 C ATOM 150 C THR A 11 -11.138 1.328 0.341 1.00 0.00 C ATOM 151 O THR A 11 -12.087 1.461 -0.392 1.00 0.00 O ATOM 152 CB THR A 11 -11.148 1.684 2.850 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.425 2.197 3.189 1.00 0.00 O ATOM 154 CG2 THR A 11 -10.226 2.841 2.429 1.00 0.00 C ATOM 0 H THR A 11 -9.363 -0.220 1.392 1.00 0.00 H new ATOM 0 HA THR A 11 -12.272 0.183 1.697 1.00 0.00 H new ATOM 0 HB THR A 11 -10.708 1.185 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.355 3.159 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.141 3.555 3.248 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.239 2.449 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.645 3.340 1.555 1.00 0.00 H new ATOM 162 N THR A 12 -9.961 1.777 0.011 1.00 0.00 N ATOM 163 CA THR A 12 -9.754 2.478 -1.293 1.00 0.00 C ATOM 164 C THR A 12 -10.499 1.791 -2.439 1.00 0.00 C ATOM 165 O THR A 12 -11.687 1.965 -2.599 1.00 0.00 O ATOM 166 CB THR A 12 -8.246 2.441 -1.507 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.766 1.109 -1.357 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.601 3.340 -0.465 1.00 0.00 C ATOM 0 H THR A 12 -9.126 1.690 0.590 1.00 0.00 H new ATOM 0 HA THR A 12 -10.147 3.495 -1.274 1.00 0.00 H new ATOM 0 HB THR A 12 -8.000 2.786 -2.511 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.967 1.111 -0.789 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.519 3.331 -0.596 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.973 4.358 -0.583 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.848 2.976 0.532 1.00 0.00 H new ATOM 176 N LYS A 13 -9.815 1.042 -3.260 1.00 0.00 N ATOM 177 CA LYS A 13 -10.500 0.380 -4.407 1.00 0.00 C ATOM 178 C LYS A 13 -11.896 -0.120 -4.020 1.00 0.00 C ATOM 179 O LYS A 13 -12.779 -0.188 -4.852 1.00 0.00 O ATOM 180 CB LYS A 13 -9.543 -0.735 -4.827 1.00 0.00 C ATOM 181 CG LYS A 13 -9.853 -2.018 -4.075 1.00 0.00 C ATOM 182 CD LYS A 13 -9.283 -1.895 -2.668 1.00 0.00 C ATOM 183 CE LYS A 13 -9.428 -3.234 -1.935 1.00 0.00 C ATOM 184 NZ LYS A 13 -10.795 -3.209 -1.357 1.00 0.00 N ATOM 0 H LYS A 13 -8.814 0.860 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.694 1.060 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.626 -0.907 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.515 -0.432 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.929 -2.185 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.416 -2.875 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.233 -1.606 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.806 -1.111 -2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.304 -4.074 -2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.672 -3.342 -1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.975 -4.101 -0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.876 -2.413 -0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.493 -3.095 -2.120 1.00 0.00 H new ATOM 198 N TYR A 14 -12.139 -0.416 -2.773 1.00 0.00 N ATOM 199 CA TYR A 14 -13.517 -0.834 -2.400 1.00 0.00 C ATOM 200 C TYR A 14 -14.392 0.420 -2.476 1.00 0.00 C ATOM 201 O TYR A 14 -15.426 0.444 -3.113 1.00 0.00 O ATOM 202 CB TYR A 14 -13.418 -1.405 -0.972 1.00 0.00 C ATOM 203 CG TYR A 14 -14.727 -2.062 -0.581 1.00 0.00 C ATOM 204 CD1 TYR A 14 -15.839 -1.997 -1.433 1.00 0.00 C ATOM 205 CD2 TYR A 14 -14.823 -2.743 0.639 1.00 0.00 C ATOM 206 CE1 TYR A 14 -17.043 -2.610 -1.063 1.00 0.00 C ATOM 207 CE2 TYR A 14 -16.026 -3.355 1.008 1.00 0.00 C ATOM 208 CZ TYR A 14 -17.136 -3.289 0.157 1.00 0.00 C ATOM 209 OH TYR A 14 -18.322 -3.893 0.522 1.00 0.00 O ATOM 0 H TYR A 14 -11.460 -0.388 -2.012 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.953 -1.592 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.607 -2.132 -0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.178 -0.607 -0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -15.767 -1.474 -2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.967 -2.796 1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -17.899 -2.559 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -16.098 -3.879 1.950 1.00 0.00 H new ATOM 0 HH TYR A 14 -18.215 -4.321 1.397 1.00 0.00 H new ATOM 219 N ARG A 15 -13.930 1.480 -1.874 1.00 0.00 N ATOM 220 CA ARG A 15 -14.653 2.780 -1.934 1.00 0.00 C ATOM 221 C ARG A 15 -14.146 3.581 -3.135 1.00 0.00 C ATOM 222 O ARG A 15 -14.850 3.818 -4.095 1.00 0.00 O ATOM 223 CB ARG A 15 -14.273 3.491 -0.639 1.00 0.00 C ATOM 224 CG ARG A 15 -15.330 3.205 0.420 1.00 0.00 C ATOM 225 CD ARG A 15 -14.685 2.409 1.549 1.00 0.00 C ATOM 226 NE ARG A 15 -14.367 1.076 0.956 1.00 0.00 N ATOM 227 CZ ARG A 15 -15.026 0.023 1.355 1.00 0.00 C ATOM 228 NH1 ARG A 15 -16.157 -0.292 0.788 1.00 0.00 N ATOM 229 NH2 ARG A 15 -14.559 -0.707 2.332 1.00 0.00 N ATOM 0 H ARG A 15 -13.066 1.500 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.731 2.662 -2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.296 3.150 -0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.194 4.565 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.744 4.138 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.158 2.644 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.784 2.903 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.361 2.311 2.398 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.641 0.989 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.527 0.285 0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.672 -1.115 1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.680 -0.454 2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.074 -1.530 2.645 1.00 0.00 H new ATOM 243 N ASN A 16 -12.908 3.994 -3.063 1.00 0.00 N ATOM 244 CA ASN A 16 -12.290 4.785 -4.165 1.00 0.00 C ATOM 245 C ASN A 16 -12.242 3.972 -5.457 1.00 0.00 C ATOM 246 O ASN A 16 -11.574 2.962 -5.521 1.00 0.00 O ATOM 247 CB ASN A 16 -10.862 5.057 -3.686 1.00 0.00 C ATOM 248 CG ASN A 16 -10.837 6.270 -2.760 1.00 0.00 C ATOM 249 OD1 ASN A 16 -11.859 6.870 -2.491 1.00 0.00 O ATOM 250 ND2 ASN A 16 -9.697 6.658 -2.257 1.00 0.00 N ATOM 0 H ASN A 16 -12.289 3.813 -2.273 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.854 5.693 -4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.474 4.183 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.211 5.231 -4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.662 7.467 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.841 6.153 -2.484 1.00 0.00 H new ATOM 257 N PRO A 17 -12.932 4.449 -6.455 1.00 0.00 N ATOM 258 CA PRO A 17 -12.932 3.761 -7.762 1.00 0.00 C ATOM 259 C PRO A 17 -11.661 4.138 -8.527 1.00 0.00 C ATOM 260 O PRO A 17 -10.861 3.293 -8.870 1.00 0.00 O ATOM 261 CB PRO A 17 -14.175 4.308 -8.454 1.00 0.00 C ATOM 262 CG PRO A 17 -14.423 5.648 -7.825 1.00 0.00 C ATOM 263 CD PRO A 17 -13.770 5.650 -6.460 1.00 0.00 C ATOM 0 HA PRO A 17 -12.947 2.673 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.018 4.401 -9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.028 3.644 -8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.011 6.443 -8.446 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.493 5.835 -7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.175 6.550 -6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.514 5.619 -5.664 1.00 0.00 H new ATOM 271 N SER A 18 -11.452 5.407 -8.770 1.00 0.00 N ATOM 272 CA SER A 18 -10.208 5.830 -9.477 1.00 0.00 C ATOM 273 C SER A 18 -9.024 5.519 -8.563 1.00 0.00 C ATOM 274 O SER A 18 -8.464 6.390 -7.926 1.00 0.00 O ATOM 275 CB SER A 18 -10.354 7.335 -9.690 1.00 0.00 C ATOM 276 OG SER A 18 -10.070 8.012 -8.473 1.00 0.00 O ATOM 0 H SER A 18 -12.085 6.163 -8.511 1.00 0.00 H new ATOM 0 HA SER A 18 -10.051 5.322 -10.428 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.674 7.671 -10.473 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.365 7.570 -10.023 1.00 0.00 H new ATOM 0 HG SER A 18 -9.148 7.821 -8.200 1.00 0.00 H new ATOM 282 N LEU A 19 -8.681 4.269 -8.459 1.00 0.00 N ATOM 283 CA LEU A 19 -7.574 3.864 -7.544 1.00 0.00 C ATOM 284 C LEU A 19 -6.957 2.524 -7.981 1.00 0.00 C ATOM 285 O LEU A 19 -7.550 1.761 -8.717 1.00 0.00 O ATOM 286 CB LEU A 19 -8.282 3.752 -6.173 1.00 0.00 C ATOM 287 CG LEU A 19 -8.770 2.316 -5.864 1.00 0.00 C ATOM 288 CD1 LEU A 19 -9.527 1.726 -7.061 1.00 0.00 C ATOM 289 CD2 LEU A 19 -7.605 1.394 -5.523 1.00 0.00 C ATOM 0 H LEU A 19 -9.120 3.503 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.740 4.566 -7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.597 4.075 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.133 4.432 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.436 2.386 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.860 0.717 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.392 2.349 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.867 1.693 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.983 0.394 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.916 1.351 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.082 1.777 -4.647 1.00 0.00 H new ATOM 301 N LYS A 20 -5.774 2.213 -7.512 1.00 0.00 N ATOM 302 CA LYS A 20 -5.169 0.907 -7.883 1.00 0.00 C ATOM 303 C LYS A 20 -4.187 0.437 -6.807 1.00 0.00 C ATOM 304 O LYS A 20 -3.864 1.156 -5.878 1.00 0.00 O ATOM 305 CB LYS A 20 -4.455 1.157 -9.210 1.00 0.00 C ATOM 306 CG LYS A 20 -3.673 2.471 -9.131 1.00 0.00 C ATOM 307 CD LYS A 20 -4.416 3.556 -9.913 1.00 0.00 C ATOM 308 CE LYS A 20 -4.288 3.283 -11.414 1.00 0.00 C ATOM 309 NZ LYS A 20 -5.102 4.344 -12.069 1.00 0.00 N ATOM 0 H LYS A 20 -5.211 2.801 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.919 0.121 -7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.778 0.332 -9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.180 1.202 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.555 2.774 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.671 2.335 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.467 3.572 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.005 4.537 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.248 3.328 -11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.657 2.289 -11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.064 4.223 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.089 4.272 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.723 5.279 -11.815 1.00 0.00 H new ATOM 323 N LEU A 21 -3.723 -0.777 -6.926 1.00 0.00 N ATOM 324 CA LEU A 21 -2.773 -1.325 -5.918 1.00 0.00 C ATOM 325 C LEU A 21 -1.437 -1.644 -6.579 1.00 0.00 C ATOM 326 O LEU A 21 -1.387 -2.111 -7.699 1.00 0.00 O ATOM 327 CB LEU A 21 -3.437 -2.610 -5.413 1.00 0.00 C ATOM 328 CG LEU A 21 -4.509 -2.274 -4.371 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.481 -1.233 -4.934 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.281 -3.546 -4.018 1.00 0.00 C ATOM 0 H LEU A 21 -3.963 -1.416 -7.683 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.572 -0.621 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.886 -3.149 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.687 -3.268 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.029 -1.869 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.239 -1.001 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.934 -0.326 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.963 -1.631 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.046 -3.314 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.755 -3.945 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.594 -4.287 -3.610 1.00 0.00 H new ATOM 342 N MET A 22 -0.348 -1.396 -5.905 1.00 0.00 N ATOM 343 CA MET A 22 0.967 -1.692 -6.525 1.00 0.00 C ATOM 344 C MET A 22 1.533 -2.988 -5.960 1.00 0.00 C ATOM 345 O MET A 22 1.128 -3.460 -4.918 1.00 0.00 O ATOM 346 CB MET A 22 1.916 -0.546 -6.151 1.00 0.00 C ATOM 347 CG MET A 22 1.185 0.605 -5.444 1.00 0.00 C ATOM 348 SD MET A 22 2.202 2.105 -5.515 1.00 0.00 S ATOM 349 CE MET A 22 0.842 3.298 -5.589 1.00 0.00 C ATOM 0 H MET A 22 -0.314 -1.006 -4.963 1.00 0.00 H new ATOM 0 HA MET A 22 0.858 -1.792 -7.605 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.704 -0.927 -5.502 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.400 -0.168 -7.052 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.221 0.784 -5.920 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.984 0.339 -4.406 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.841 3.789 -6.562 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.105 2.779 -5.444 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.970 4.045 -4.806 1.00 0.00 H new ATOM 359 N VAL A 23 2.493 -3.539 -6.632 1.00 0.00 N ATOM 360 CA VAL A 23 3.136 -4.785 -6.148 1.00 0.00 C ATOM 361 C VAL A 23 4.633 -4.508 -5.978 1.00 0.00 C ATOM 362 O VAL A 23 5.102 -3.432 -6.295 1.00 0.00 O ATOM 363 CB VAL A 23 2.833 -5.822 -7.239 1.00 0.00 C ATOM 364 CG1 VAL A 23 4.106 -6.550 -7.687 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.841 -6.844 -6.687 1.00 0.00 C ATOM 0 H VAL A 23 2.867 -3.176 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 23 2.775 -5.145 -5.184 1.00 0.00 H new ATOM 0 HB VAL A 23 2.415 -5.304 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.857 -7.277 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.818 -5.827 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.550 -7.064 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.618 -7.586 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.274 -7.339 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.921 -6.337 -6.395 1.00 0.00 H new ATOM 375 N ASN A 24 5.386 -5.435 -5.469 1.00 0.00 N ATOM 376 CA ASN A 24 6.838 -5.152 -5.284 1.00 0.00 C ATOM 377 C ASN A 24 7.703 -6.361 -5.621 1.00 0.00 C ATOM 378 O ASN A 24 7.221 -7.447 -5.879 1.00 0.00 O ATOM 379 CB ASN A 24 7.018 -4.771 -3.806 1.00 0.00 C ATOM 380 CG ASN A 24 5.839 -5.271 -2.959 1.00 0.00 C ATOM 381 OD1 ASN A 24 5.367 -6.375 -3.142 1.00 0.00 O ATOM 382 ND2 ASN A 24 5.343 -4.491 -2.038 1.00 0.00 N ATOM 0 H ASN A 24 5.072 -6.360 -5.177 1.00 0.00 H new ATOM 0 HA ASN A 24 7.153 -4.352 -5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.948 -5.197 -3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.103 -3.688 -3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.557 -4.808 -1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.741 -3.564 -1.886 1.00 0.00 H new ATOM 389 N VAL A 25 8.990 -6.160 -5.617 1.00 0.00 N ATOM 390 CA VAL A 25 9.940 -7.259 -5.930 1.00 0.00 C ATOM 391 C VAL A 25 9.513 -8.563 -5.247 1.00 0.00 C ATOM 392 O VAL A 25 9.682 -9.637 -5.789 1.00 0.00 O ATOM 393 CB VAL A 25 11.279 -6.765 -5.379 1.00 0.00 C ATOM 394 CG1 VAL A 25 11.087 -6.208 -3.966 1.00 0.00 C ATOM 395 CG2 VAL A 25 12.270 -7.920 -5.330 1.00 0.00 C ATOM 0 H VAL A 25 9.430 -5.264 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 25 9.985 -7.481 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 25 11.662 -5.979 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.044 -5.858 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.382 -5.377 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.698 -6.992 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.223 -7.565 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.881 -8.706 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.417 -8.316 -6.335 1.00 0.00 H new ATOM 405 N CYS A 26 8.956 -8.485 -4.067 1.00 0.00 N ATOM 406 CA CYS A 26 8.522 -9.734 -3.375 1.00 0.00 C ATOM 407 C CYS A 26 7.260 -10.285 -4.043 1.00 0.00 C ATOM 408 O CYS A 26 7.098 -11.479 -4.197 1.00 0.00 O ATOM 409 CB CYS A 26 8.248 -9.319 -1.926 1.00 0.00 C ATOM 410 SG CYS A 26 6.705 -8.379 -1.836 1.00 0.00 S ATOM 0 H CYS A 26 8.784 -7.619 -3.556 1.00 0.00 H new ATOM 0 HA CYS A 26 9.273 -10.522 -3.423 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.183 -10.203 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.074 -8.716 -1.549 1.00 0.00 H new ATOM 415 N GLY A 27 6.371 -9.421 -4.458 1.00 0.00 N ATOM 416 CA GLY A 27 5.131 -9.896 -5.135 1.00 0.00 C ATOM 417 C GLY A 27 3.954 -9.907 -4.155 1.00 0.00 C ATOM 418 O GLY A 27 3.628 -10.923 -3.577 1.00 0.00 O ATOM 0 H GLY A 27 6.451 -8.409 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.901 -9.248 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.289 -10.898 -5.534 1.00 0.00 H new ATOM 422 N HIS A 28 3.300 -8.789 -3.979 1.00 0.00 N ATOM 423 CA HIS A 28 2.130 -8.750 -3.057 1.00 0.00 C ATOM 424 C HIS A 28 1.165 -7.630 -3.480 1.00 0.00 C ATOM 425 O HIS A 28 0.582 -7.704 -4.542 1.00 0.00 O ATOM 426 CB HIS A 28 2.719 -8.547 -1.656 1.00 0.00 C ATOM 427 CG HIS A 28 3.051 -9.909 -1.099 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.123 -10.154 -0.234 1.00 0.00 N ATOM 429 CD2 HIS A 28 2.449 -11.127 -1.299 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.113 -11.475 0.038 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.118 -12.108 -0.583 1.00 0.00 N ATOM 0 H HIS A 28 3.526 -7.904 -4.433 1.00 0.00 H new ATOM 0 HA HIS A 28 1.537 -9.664 -3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.612 -7.924 -1.703 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.006 -8.033 -1.012 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.583 -11.296 -1.922 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.828 -11.963 0.684 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.896 -13.103 -0.541 1.00 0.00 H new ATOM 439 N THR A 29 0.971 -6.601 -2.692 1.00 0.00 N ATOM 440 CA THR A 29 0.015 -5.533 -3.133 1.00 0.00 C ATOM 441 C THR A 29 -0.031 -4.357 -2.143 1.00 0.00 C ATOM 442 O THR A 29 0.173 -4.514 -0.957 1.00 0.00 O ATOM 443 CB THR A 29 -1.346 -6.246 -3.195 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.531 -6.797 -4.491 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.488 -5.263 -2.900 1.00 0.00 C ATOM 0 H THR A 29 1.418 -6.454 -1.787 1.00 0.00 H new ATOM 0 HA THR A 29 0.310 -5.096 -4.087 1.00 0.00 H new ATOM 0 HB THR A 29 -1.358 -7.036 -2.444 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.820 -7.446 -4.675 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.442 -5.788 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.357 -4.841 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.477 -4.461 -3.638 1.00 0.00 H new ATOM 453 N LEU A 30 -0.327 -3.181 -2.640 1.00 0.00 N ATOM 454 CA LEU A 30 -0.425 -1.977 -1.754 1.00 0.00 C ATOM 455 C LEU A 30 -1.276 -0.899 -2.437 1.00 0.00 C ATOM 456 O LEU A 30 -0.804 -0.170 -3.286 1.00 0.00 O ATOM 457 CB LEU A 30 1.018 -1.494 -1.569 1.00 0.00 C ATOM 458 CG LEU A 30 1.198 -0.877 -0.178 1.00 0.00 C ATOM 459 CD1 LEU A 30 0.949 -1.922 0.894 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.628 -0.373 -0.006 1.00 0.00 C ATOM 0 H LEU A 30 -0.506 -3.001 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.897 -2.201 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.707 -2.329 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.264 -0.759 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 30 0.489 -0.054 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.080 -1.472 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.068 -2.303 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.656 -2.743 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.743 0.063 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.323 -1.205 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.841 0.383 -0.762 1.00 0.00 H new ATOM 472 N CYS A 31 -2.533 -0.798 -2.082 1.00 0.00 N ATOM 473 CA CYS A 31 -3.409 0.227 -2.725 1.00 0.00 C ATOM 474 C CYS A 31 -2.809 1.615 -2.602 1.00 0.00 C ATOM 475 O CYS A 31 -1.707 1.803 -2.124 1.00 0.00 O ATOM 476 CB CYS A 31 -4.768 0.151 -1.996 1.00 0.00 C ATOM 477 SG CYS A 31 -4.949 1.453 -0.722 1.00 0.00 S ATOM 0 H CYS A 31 -2.988 -1.379 -1.378 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.519 0.032 -3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.574 0.244 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.872 -0.828 -1.529 1.00 0.00 H new ATOM 482 N GLU A 32 -3.562 2.591 -3.000 1.00 0.00 N ATOM 483 CA GLU A 32 -3.064 3.993 -2.871 1.00 0.00 C ATOM 484 C GLU A 32 -2.889 4.264 -1.383 1.00 0.00 C ATOM 485 O GLU A 32 -1.819 4.585 -0.905 1.00 0.00 O ATOM 486 CB GLU A 32 -4.119 4.959 -3.464 1.00 0.00 C ATOM 487 CG GLU A 32 -5.502 4.340 -3.511 1.00 0.00 C ATOM 488 CD GLU A 32 -5.541 3.437 -4.724 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.664 3.949 -5.826 1.00 0.00 O ATOM 490 OE2 GLU A 32 -5.398 2.243 -4.531 1.00 0.00 O ATOM 0 H GLU A 32 -4.492 2.489 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.123 4.136 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.151 5.870 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.818 5.249 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.702 3.773 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.268 5.112 -3.580 1.00 0.00 H new ATOM 497 N SER A 33 -3.955 4.106 -0.656 1.00 0.00 N ATOM 498 CA SER A 33 -3.927 4.314 0.809 1.00 0.00 C ATOM 499 C SER A 33 -2.985 3.309 1.498 1.00 0.00 C ATOM 500 O SER A 33 -2.649 3.479 2.654 1.00 0.00 O ATOM 501 CB SER A 33 -5.382 4.095 1.244 1.00 0.00 C ATOM 502 OG SER A 33 -6.191 5.111 0.667 1.00 0.00 O ATOM 0 H SER A 33 -4.865 3.835 -1.028 1.00 0.00 H new ATOM 0 HA SER A 33 -3.552 5.300 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.727 3.111 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.459 4.123 2.331 1.00 0.00 H new ATOM 0 HG SER A 33 -7.024 5.195 1.176 1.00 0.00 H new ATOM 508 N CYS A 34 -2.525 2.282 0.818 1.00 0.00 N ATOM 509 CA CYS A 34 -1.584 1.338 1.490 1.00 0.00 C ATOM 510 C CYS A 34 -0.169 1.868 1.279 1.00 0.00 C ATOM 511 O CYS A 34 0.583 2.057 2.213 1.00 0.00 O ATOM 512 CB CYS A 34 -1.748 -0.034 0.815 1.00 0.00 C ATOM 513 SG CYS A 34 -3.173 -0.931 1.474 1.00 0.00 S ATOM 0 H CYS A 34 -2.756 2.063 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.782 1.247 2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.867 0.100 -0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.844 -0.625 0.965 1.00 0.00 H new ATOM 518 N VAL A 35 0.183 2.133 0.046 1.00 0.00 N ATOM 519 CA VAL A 35 1.537 2.676 -0.248 1.00 0.00 C ATOM 520 C VAL A 35 1.824 3.858 0.688 1.00 0.00 C ATOM 521 O VAL A 35 2.674 3.774 1.552 1.00 0.00 O ATOM 522 CB VAL A 35 1.483 3.078 -1.742 1.00 0.00 C ATOM 523 CG1 VAL A 35 1.974 4.515 -1.961 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.378 2.132 -2.545 1.00 0.00 C ATOM 0 H VAL A 35 -0.414 1.995 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 35 2.346 1.966 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 35 0.446 3.013 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.921 4.760 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.345 5.204 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.005 4.603 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.346 2.408 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.403 2.205 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.023 1.108 -2.427 1.00 0.00 H new ATOM 534 N ASP A 36 1.120 4.946 0.536 1.00 0.00 N ATOM 535 CA ASP A 36 1.358 6.120 1.432 1.00 0.00 C ATOM 536 C ASP A 36 1.581 5.649 2.876 1.00 0.00 C ATOM 537 O ASP A 36 2.676 5.728 3.397 1.00 0.00 O ATOM 538 CB ASP A 36 0.094 6.988 1.331 1.00 0.00 C ATOM 539 CG ASP A 36 -1.139 6.105 1.161 1.00 0.00 C ATOM 540 OD1 ASP A 36 -1.177 5.060 1.783 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.021 6.492 0.413 1.00 0.00 O ATOM 0 H ASP A 36 0.392 5.076 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 36 2.246 6.679 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.009 7.600 2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.180 7.672 0.486 1.00 0.00 H new ATOM 546 N LEU A 37 0.562 5.151 3.524 1.00 0.00 N ATOM 547 CA LEU A 37 0.737 4.675 4.929 1.00 0.00 C ATOM 548 C LEU A 37 2.021 3.851 5.047 1.00 0.00 C ATOM 549 O LEU A 37 2.807 4.025 5.954 1.00 0.00 O ATOM 550 CB LEU A 37 -0.489 3.803 5.206 1.00 0.00 C ATOM 551 CG LEU A 37 -1.740 4.681 5.260 1.00 0.00 C ATOM 552 CD1 LEU A 37 -2.978 3.794 5.404 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.648 5.626 6.460 1.00 0.00 C ATOM 0 H LEU A 37 -0.380 5.053 3.145 1.00 0.00 H new ATOM 0 HA LEU A 37 0.820 5.497 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.595 3.049 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.364 3.271 6.149 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.815 5.265 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.871 4.418 5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.044 3.120 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.903 3.211 6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.539 6.252 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.574 5.043 7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.765 6.257 6.359 1.00 0.00 H new ATOM 565 N LEU A 38 2.236 2.948 4.139 1.00 0.00 N ATOM 566 CA LEU A 38 3.468 2.112 4.199 1.00 0.00 C ATOM 567 C LEU A 38 4.723 2.983 4.377 1.00 0.00 C ATOM 568 O LEU A 38 5.539 2.741 5.245 1.00 0.00 O ATOM 569 CB LEU A 38 3.520 1.398 2.845 1.00 0.00 C ATOM 570 CG LEU A 38 3.884 -0.074 3.045 1.00 0.00 C ATOM 571 CD1 LEU A 38 5.184 -0.177 3.843 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.759 -0.776 3.809 1.00 0.00 C ATOM 0 H LEU A 38 1.614 2.750 3.356 1.00 0.00 H new ATOM 0 HA LEU A 38 3.444 1.422 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.555 1.478 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.255 1.879 2.199 1.00 0.00 H new ATOM 0 HG LEU A 38 4.018 -0.550 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.442 -1.227 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.985 0.323 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.053 0.299 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.016 -1.825 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.626 -0.299 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.832 -0.704 3.239 1.00 0.00 H new ATOM 584 N PHE A 39 4.906 3.961 3.530 1.00 0.00 N ATOM 585 CA PHE A 39 6.137 4.818 3.609 1.00 0.00 C ATOM 586 C PHE A 39 5.964 6.026 4.537 1.00 0.00 C ATOM 587 O PHE A 39 6.923 6.508 5.105 1.00 0.00 O ATOM 588 CB PHE A 39 6.393 5.275 2.164 1.00 0.00 C ATOM 589 CG PHE A 39 6.039 4.142 1.235 1.00 0.00 C ATOM 590 CD1 PHE A 39 6.815 2.982 1.230 1.00 0.00 C ATOM 591 CD2 PHE A 39 4.907 4.230 0.427 1.00 0.00 C ATOM 592 CE1 PHE A 39 6.463 1.909 0.414 1.00 0.00 C ATOM 593 CE2 PHE A 39 4.546 3.152 -0.382 1.00 0.00 C ATOM 594 CZ PHE A 39 5.321 1.989 -0.391 1.00 0.00 C ATOM 0 H PHE A 39 4.257 4.208 2.783 1.00 0.00 H new ATOM 0 HA PHE A 39 6.971 4.257 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.793 6.156 1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.438 5.558 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.690 2.916 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.311 5.130 0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.071 1.016 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.665 3.217 -1.003 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.040 1.155 -1.017 1.00 0.00 H new ATOM 604 N VAL A 40 4.774 6.541 4.697 1.00 0.00 N ATOM 605 CA VAL A 40 4.627 7.731 5.592 1.00 0.00 C ATOM 606 C VAL A 40 5.173 7.412 6.987 1.00 0.00 C ATOM 607 O VAL A 40 5.438 8.300 7.774 1.00 0.00 O ATOM 608 CB VAL A 40 3.133 8.051 5.651 1.00 0.00 C ATOM 609 CG1 VAL A 40 2.568 8.146 4.234 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.405 6.952 6.419 1.00 0.00 C ATOM 0 H VAL A 40 3.917 6.202 4.261 1.00 0.00 H new ATOM 0 HA VAL A 40 5.189 8.585 5.214 1.00 0.00 H new ATOM 0 HB VAL A 40 2.990 9.005 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.503 8.374 4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.084 8.936 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.713 7.196 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.340 7.181 6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.551 5.997 5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.803 6.891 7.432 1.00 0.00 H new ATOM 620 N ARG A 41 5.352 6.157 7.303 1.00 0.00 N ATOM 621 CA ARG A 41 5.892 5.803 8.653 1.00 0.00 C ATOM 622 C ARG A 41 7.384 5.472 8.552 1.00 0.00 C ATOM 623 O ARG A 41 8.130 5.641 9.496 1.00 0.00 O ATOM 624 CB ARG A 41 5.119 4.566 9.152 1.00 0.00 C ATOM 625 CG ARG A 41 3.920 4.255 8.252 1.00 0.00 C ATOM 626 CD ARG A 41 2.875 3.469 9.049 1.00 0.00 C ATOM 627 NE ARG A 41 3.591 2.255 9.530 1.00 0.00 N ATOM 628 CZ ARG A 41 4.139 1.437 8.673 1.00 0.00 C ATOM 629 NH1 ARG A 41 3.387 0.738 7.868 1.00 0.00 N ATOM 630 NH2 ARG A 41 5.437 1.318 8.623 1.00 0.00 N ATOM 0 H ARG A 41 5.150 5.366 6.692 1.00 0.00 H new ATOM 0 HA ARG A 41 5.772 6.639 9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.787 3.705 9.181 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.775 4.737 10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.485 5.180 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.242 3.678 7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.490 4.057 9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.021 3.203 8.426 1.00 0.00 H new ATOM 0 HE ARG A 41 3.653 2.063 10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.372 0.831 7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.814 0.098 7.198 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.024 1.864 9.254 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.865 0.679 7.953 1.00 0.00 H new ATOM 644 N GLY A 42 7.829 4.994 7.419 1.00 0.00 N ATOM 645 CA GLY A 42 9.276 4.654 7.285 1.00 0.00 C ATOM 646 C GLY A 42 9.578 4.093 5.889 1.00 0.00 C ATOM 647 O GLY A 42 10.671 4.248 5.383 1.00 0.00 O ATOM 0 H GLY A 42 7.260 4.826 6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.881 5.543 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.554 3.922 8.044 1.00 0.00 H new ATOM 651 N ALA A 43 8.635 3.438 5.262 1.00 0.00 N ATOM 652 CA ALA A 43 8.905 2.874 3.904 1.00 0.00 C ATOM 653 C ALA A 43 10.009 1.816 3.979 1.00 0.00 C ATOM 654 O ALA A 43 11.025 2.007 4.617 1.00 0.00 O ATOM 655 CB ALA A 43 9.364 4.067 3.061 1.00 0.00 C ATOM 0 H ALA A 43 7.697 3.270 5.627 1.00 0.00 H new ATOM 0 HA ALA A 43 8.027 2.388 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.582 3.733 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.575 4.818 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.262 4.500 3.502 1.00 0.00 H new ATOM 661 N GLY A 44 9.815 0.701 3.330 1.00 0.00 N ATOM 662 CA GLY A 44 10.849 -0.370 3.360 1.00 0.00 C ATOM 663 C GLY A 44 10.311 -1.578 4.128 1.00 0.00 C ATOM 664 O GLY A 44 11.046 -2.283 4.790 1.00 0.00 O ATOM 0 H GLY A 44 8.984 0.486 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.116 -0.661 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.758 0.000 3.834 1.00 0.00 H new ATOM 668 N ASN A 45 9.031 -1.823 4.046 1.00 0.00 N ATOM 669 CA ASN A 45 8.449 -2.986 4.773 1.00 0.00 C ATOM 670 C ASN A 45 7.145 -3.435 4.105 1.00 0.00 C ATOM 671 O ASN A 45 6.084 -2.921 4.395 1.00 0.00 O ATOM 672 CB ASN A 45 8.176 -2.470 6.187 1.00 0.00 C ATOM 673 CG ASN A 45 9.475 -1.937 6.793 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.853 -0.808 6.554 1.00 0.00 O ATOM 675 ND2 ASN A 45 10.179 -2.709 7.575 1.00 0.00 N ATOM 0 H ASN A 45 8.365 -1.269 3.508 1.00 0.00 H new ATOM 0 HA ASN A 45 9.116 -3.848 4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.424 -1.681 6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.774 -3.271 6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.047 -2.364 7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.861 -3.657 7.776 1.00 0.00 H new ATOM 682 N CYS A 46 7.224 -4.390 3.214 1.00 0.00 N ATOM 683 CA CYS A 46 5.994 -4.884 2.520 1.00 0.00 C ATOM 684 C CYS A 46 4.810 -4.916 3.485 1.00 0.00 C ATOM 685 O CYS A 46 4.964 -5.209 4.655 1.00 0.00 O ATOM 686 CB CYS A 46 6.336 -6.303 2.062 1.00 0.00 C ATOM 687 SG CYS A 46 4.927 -7.015 1.169 1.00 0.00 S ATOM 0 H CYS A 46 8.090 -4.851 2.936 1.00 0.00 H new ATOM 0 HA CYS A 46 5.711 -4.238 1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.215 -6.285 1.418 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.584 -6.923 2.923 1.00 0.00 H new ATOM 692 N PRO A 47 3.662 -4.610 2.955 1.00 0.00 N ATOM 693 CA PRO A 47 2.407 -4.593 3.760 1.00 0.00 C ATOM 694 C PRO A 47 2.103 -5.977 4.343 1.00 0.00 C ATOM 695 O PRO A 47 1.243 -6.125 5.188 1.00 0.00 O ATOM 696 CB PRO A 47 1.356 -4.181 2.725 1.00 0.00 C ATOM 697 CG PRO A 47 1.959 -4.611 1.429 1.00 0.00 C ATOM 698 CD PRO A 47 3.400 -4.247 1.559 1.00 0.00 C ATOM 0 HA PRO A 47 2.451 -3.927 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.400 -4.672 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.171 -3.107 2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.831 -5.681 1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.494 -4.102 0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.029 -4.804 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.575 -3.188 1.370 1.00 0.00 H new ATOM 706 N GLU A 48 2.794 -6.993 3.903 1.00 0.00 N ATOM 707 CA GLU A 48 2.519 -8.356 4.451 1.00 0.00 C ATOM 708 C GLU A 48 3.823 -9.123 4.744 1.00 0.00 C ATOM 709 O GLU A 48 3.988 -9.677 5.812 1.00 0.00 O ATOM 710 CB GLU A 48 1.680 -9.060 3.375 1.00 0.00 C ATOM 711 CG GLU A 48 2.583 -9.714 2.327 1.00 0.00 C ATOM 712 CD GLU A 48 1.716 -10.472 1.321 1.00 0.00 C ATOM 713 OE1 GLU A 48 1.060 -9.822 0.524 1.00 0.00 O ATOM 714 OE2 GLU A 48 1.723 -11.691 1.364 1.00 0.00 O ATOM 0 H GLU A 48 3.528 -6.943 3.197 1.00 0.00 H new ATOM 0 HA GLU A 48 1.993 -8.308 5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.046 -9.816 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.018 -8.340 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.176 -8.956 1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.284 -10.396 2.808 1.00 0.00 H new ATOM 721 N CYS A 49 4.746 -9.169 3.818 1.00 0.00 N ATOM 722 CA CYS A 49 6.015 -9.912 4.081 1.00 0.00 C ATOM 723 C CYS A 49 7.176 -8.931 4.294 1.00 0.00 C ATOM 724 O CYS A 49 8.299 -9.198 3.919 1.00 0.00 O ATOM 725 CB CYS A 49 6.222 -10.813 2.848 1.00 0.00 C ATOM 726 SG CYS A 49 7.157 -9.960 1.546 1.00 0.00 S ATOM 0 H CYS A 49 4.678 -8.729 2.900 1.00 0.00 H new ATOM 0 HA CYS A 49 5.970 -10.511 4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.752 -11.719 3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.253 -11.124 2.457 1.00 0.00 H new ATOM 731 N GLY A 50 6.881 -7.812 4.915 1.00 0.00 N ATOM 732 CA GLY A 50 7.904 -6.752 5.216 1.00 0.00 C ATOM 733 C GLY A 50 9.254 -7.033 4.547 1.00 0.00 C ATOM 734 O GLY A 50 10.221 -7.364 5.202 1.00 0.00 O ATOM 0 H GLY A 50 5.941 -7.581 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.530 -5.785 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.044 -6.683 6.295 1.00 0.00 H new ATOM 738 N THR A 51 9.335 -6.884 3.253 1.00 0.00 N ATOM 739 CA THR A 51 10.632 -7.121 2.559 1.00 0.00 C ATOM 740 C THR A 51 11.530 -5.891 2.726 1.00 0.00 C ATOM 741 O THR A 51 11.046 -4.781 2.812 1.00 0.00 O ATOM 742 CB THR A 51 10.262 -7.325 1.087 1.00 0.00 C ATOM 743 OG1 THR A 51 9.610 -8.578 0.935 1.00 0.00 O ATOM 744 CG2 THR A 51 11.528 -7.301 0.228 1.00 0.00 C ATOM 0 H THR A 51 8.561 -6.609 2.648 1.00 0.00 H new ATOM 0 HA THR A 51 11.175 -7.977 2.958 1.00 0.00 H new ATOM 0 HB THR A 51 9.595 -6.524 0.767 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.657 -8.478 1.143 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.260 -7.447 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.028 -6.340 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.198 -8.100 0.545 1.00 0.00 H new ATOM 752 N PRO A 52 12.812 -6.130 2.770 1.00 0.00 N ATOM 753 CA PRO A 52 13.785 -5.021 2.933 1.00 0.00 C ATOM 754 C PRO A 52 13.835 -4.164 1.666 1.00 0.00 C ATOM 755 O PRO A 52 14.716 -4.306 0.842 1.00 0.00 O ATOM 756 CB PRO A 52 15.111 -5.740 3.169 1.00 0.00 C ATOM 757 CG PRO A 52 14.934 -7.086 2.542 1.00 0.00 C ATOM 758 CD PRO A 52 13.474 -7.436 2.671 1.00 0.00 C ATOM 0 HA PRO A 52 13.530 -4.339 3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.941 -5.198 2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.331 -5.825 4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.236 -7.068 1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.556 -7.830 3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.120 -8.000 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.285 -8.049 3.552 1.00 0.00 H new ATOM 766 N LEU A 53 12.891 -3.275 1.506 1.00 0.00 N ATOM 767 CA LEU A 53 12.879 -2.410 0.292 1.00 0.00 C ATOM 768 C LEU A 53 13.122 -0.948 0.682 1.00 0.00 C ATOM 769 O LEU A 53 12.221 -0.135 0.674 1.00 0.00 O ATOM 770 CB LEU A 53 11.480 -2.590 -0.296 1.00 0.00 C ATOM 771 CG LEU A 53 11.289 -4.050 -0.712 1.00 0.00 C ATOM 772 CD1 LEU A 53 9.917 -4.222 -1.364 1.00 0.00 C ATOM 773 CD2 LEU A 53 12.381 -4.444 -1.710 1.00 0.00 C ATOM 0 H LEU A 53 12.129 -3.111 2.163 1.00 0.00 H new ATOM 0 HA LEU A 53 13.659 -2.677 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.726 -2.308 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.348 -1.935 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 53 11.354 -4.688 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.783 -5.262 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.139 -3.943 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.850 -3.583 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.245 -5.484 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.317 -3.805 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.359 -4.324 -1.245 1.00 0.00 H new ATOM 785 N ARG A 54 14.337 -0.612 1.025 1.00 0.00 N ATOM 786 CA ARG A 54 14.644 0.794 1.419 1.00 0.00 C ATOM 787 C ARG A 54 14.480 1.733 0.220 1.00 0.00 C ATOM 788 O ARG A 54 15.404 2.413 -0.179 1.00 0.00 O ATOM 789 CB ARG A 54 16.100 0.764 1.881 1.00 0.00 C ATOM 790 CG ARG A 54 16.993 0.308 0.725 1.00 0.00 C ATOM 791 CD ARG A 54 18.075 -0.636 1.255 1.00 0.00 C ATOM 792 NE ARG A 54 17.534 -2.005 1.032 1.00 0.00 N ATOM 793 CZ ARG A 54 17.967 -3.003 1.753 1.00 0.00 C ATOM 794 NH1 ARG A 54 18.210 -2.833 3.024 1.00 0.00 N ATOM 795 NH2 ARG A 54 18.159 -4.170 1.203 1.00 0.00 N ATOM 0 H ARG A 54 15.131 -1.251 1.049 1.00 0.00 H new ATOM 0 HA ARG A 54 13.974 1.159 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.405 1.753 2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.210 0.087 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.394 -0.197 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.453 1.172 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.017 -0.493 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.272 -0.457 2.312 1.00 0.00 H new ATOM 0 HE ARG A 54 16.825 -2.163 0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.061 -1.920 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.548 -3.613 3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.971 -4.303 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.497 -4.950 1.767 1.00 0.00 H new ATOM 809 N LYS A 55 13.309 1.776 -0.355 1.00 0.00 N ATOM 810 CA LYS A 55 13.076 2.669 -1.527 1.00 0.00 C ATOM 811 C LYS A 55 11.675 2.427 -2.092 1.00 0.00 C ATOM 812 O LYS A 55 11.457 2.475 -3.286 1.00 0.00 O ATOM 813 CB LYS A 55 14.145 2.285 -2.556 1.00 0.00 C ATOM 814 CG LYS A 55 14.214 0.760 -2.705 1.00 0.00 C ATOM 815 CD LYS A 55 13.125 0.285 -3.671 1.00 0.00 C ATOM 816 CE LYS A 55 13.239 1.051 -4.990 1.00 0.00 C ATOM 817 NZ LYS A 55 13.126 0.010 -6.050 1.00 0.00 N ATOM 0 H LYS A 55 12.500 1.229 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 55 13.141 3.724 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.914 2.742 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.115 2.671 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.196 0.465 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.084 0.284 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.226 -0.785 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.140 0.443 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.449 1.797 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.189 1.582 -5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.749 0.256 -6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.408 -0.913 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.142 -0.041 -6.383 1.00 0.00 H new ATOM 831 N SER A 56 10.724 2.162 -1.239 1.00 0.00 N ATOM 832 CA SER A 56 9.336 1.909 -1.717 1.00 0.00 C ATOM 833 C SER A 56 9.329 0.736 -2.720 1.00 0.00 C ATOM 834 O SER A 56 9.446 -0.403 -2.326 1.00 0.00 O ATOM 835 CB SER A 56 8.905 3.214 -2.388 1.00 0.00 C ATOM 836 OG SER A 56 8.888 4.255 -1.420 1.00 0.00 O ATOM 0 H SER A 56 10.849 2.110 -0.228 1.00 0.00 H new ATOM 0 HA SER A 56 8.658 1.632 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.591 3.465 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.917 3.099 -2.833 1.00 0.00 H new ATOM 0 HG SER A 56 8.336 3.983 -0.657 1.00 0.00 H new ATOM 842 N ASN A 57 9.201 1.017 -4.006 1.00 0.00 N ATOM 843 CA ASN A 57 9.189 -0.059 -5.067 1.00 0.00 C ATOM 844 C ASN A 57 7.766 -0.611 -5.280 1.00 0.00 C ATOM 845 O ASN A 57 7.537 -1.800 -5.373 1.00 0.00 O ATOM 846 CB ASN A 57 10.189 -1.141 -4.608 1.00 0.00 C ATOM 847 CG ASN A 57 9.484 -2.352 -3.980 1.00 0.00 C ATOM 848 OD1 ASN A 57 8.487 -2.213 -3.299 1.00 0.00 O ATOM 849 ND2 ASN A 57 9.966 -3.545 -4.191 1.00 0.00 N ATOM 0 H ASN A 57 9.103 1.964 -4.371 1.00 0.00 H new ATOM 0 HA ASN A 57 9.491 0.333 -6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.783 -1.470 -5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.881 -0.710 -3.885 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.506 -4.360 -3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.803 -3.663 -4.762 1.00 0.00 H new ATOM 856 N PHE A 58 6.809 0.259 -5.383 1.00 0.00 N ATOM 857 CA PHE A 58 5.402 -0.197 -5.599 1.00 0.00 C ATOM 858 C PHE A 58 4.904 0.202 -6.993 1.00 0.00 C ATOM 859 O PHE A 58 4.768 1.366 -7.314 1.00 0.00 O ATOM 860 CB PHE A 58 4.608 0.481 -4.472 1.00 0.00 C ATOM 861 CG PHE A 58 5.128 -0.071 -3.174 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.374 0.329 -2.681 1.00 0.00 C ATOM 863 CD2 PHE A 58 4.371 -1.020 -2.479 1.00 0.00 C ATOM 864 CE1 PHE A 58 6.860 -0.222 -1.489 1.00 0.00 C ATOM 865 CE2 PHE A 58 4.855 -1.564 -1.287 1.00 0.00 C ATOM 866 CZ PHE A 58 6.099 -1.166 -0.792 1.00 0.00 C ATOM 0 H PHE A 58 6.934 1.270 -5.328 1.00 0.00 H new ATOM 0 HA PHE A 58 5.295 -1.281 -5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.734 1.563 -4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.542 0.280 -4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.960 1.061 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.412 -1.332 -2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.823 0.082 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.267 -2.292 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.473 -1.587 0.129 1.00 0.00 H new ATOM 876 N ARG A 59 4.624 -0.777 -7.816 1.00 0.00 N ATOM 877 CA ARG A 59 4.119 -0.490 -9.200 1.00 0.00 C ATOM 878 C ARG A 59 2.602 -0.656 -9.209 1.00 0.00 C ATOM 879 O ARG A 59 2.083 -1.752 -9.259 1.00 0.00 O ATOM 880 CB ARG A 59 4.787 -1.493 -10.171 1.00 0.00 C ATOM 881 CG ARG A 59 5.558 -2.598 -9.430 1.00 0.00 C ATOM 882 CD ARG A 59 6.828 -2.010 -8.807 1.00 0.00 C ATOM 883 NE ARG A 59 7.859 -2.100 -9.877 1.00 0.00 N ATOM 884 CZ ARG A 59 8.142 -3.254 -10.418 1.00 0.00 C ATOM 885 NH1 ARG A 59 8.018 -4.349 -9.718 1.00 0.00 N ATOM 886 NH2 ARG A 59 8.545 -3.314 -11.658 1.00 0.00 N ATOM 0 H ARG A 59 4.723 -1.767 -7.591 1.00 0.00 H new ATOM 0 HA ARG A 59 4.361 0.527 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.023 -1.947 -10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.469 -0.957 -10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.930 -3.036 -8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.818 -3.400 -10.121 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.673 -0.977 -8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.129 -2.569 -7.921 1.00 0.00 H new ATOM 0 HE ARG A 59 8.345 -1.259 -10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.700 -4.302 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.239 -5.251 -10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.639 -2.459 -12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.766 -4.216 -12.079 1.00 0.00 H new ATOM 900 N VAL A 60 1.894 0.435 -9.104 1.00 0.00 N ATOM 901 CA VAL A 60 0.406 0.373 -9.035 1.00 0.00 C ATOM 902 C VAL A 60 -0.250 0.367 -10.417 1.00 0.00 C ATOM 903 O VAL A 60 0.263 0.902 -11.380 1.00 0.00 O ATOM 904 CB VAL A 60 0.025 1.635 -8.262 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.108 2.851 -9.187 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.403 1.496 -7.729 1.00 0.00 C ATOM 0 H VAL A 60 2.286 1.376 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 60 0.065 -0.548 -8.562 1.00 0.00 H new ATOM 0 HB VAL A 60 0.714 1.768 -7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.164 3.749 -8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.126 2.952 -9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.578 2.719 -10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.675 2.396 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.091 1.360 -8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.461 0.633 -7.066 1.00 0.00 H new ATOM 916 N GLN A 61 -1.397 -0.252 -10.493 1.00 0.00 N ATOM 917 CA GLN A 61 -2.152 -0.339 -11.773 1.00 0.00 C ATOM 918 C GLN A 61 -3.485 -1.049 -11.513 1.00 0.00 C ATOM 919 O GLN A 61 -3.670 -1.668 -10.483 1.00 0.00 O ATOM 920 CB GLN A 61 -1.268 -1.170 -12.705 1.00 0.00 C ATOM 921 CG GLN A 61 -1.278 -2.631 -12.249 1.00 0.00 C ATOM 922 CD GLN A 61 -0.295 -3.439 -13.098 1.00 0.00 C ATOM 923 OE1 GLN A 61 0.241 -2.941 -14.067 1.00 0.00 O ATOM 924 NE2 GLN A 61 -0.035 -4.676 -12.771 1.00 0.00 N ATOM 0 H GLN A 61 -1.851 -0.711 -9.703 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.373 0.637 -12.206 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.631 -1.095 -13.730 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.249 -0.783 -12.698 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.004 -2.696 -11.196 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.282 -3.045 -12.343 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.486 -5.094 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.619 -5.225 -13.330 1.00 0.00 H new ATOM 933 N LEU A 62 -4.415 -0.966 -12.423 1.00 0.00 N ATOM 934 CA LEU A 62 -5.731 -1.640 -12.202 1.00 0.00 C ATOM 935 C LEU A 62 -6.683 -1.334 -13.362 1.00 0.00 C ATOM 936 O LEU A 62 -7.868 -1.151 -13.171 1.00 0.00 O ATOM 937 CB LEU A 62 -6.267 -1.044 -10.898 1.00 0.00 C ATOM 938 CG LEU A 62 -6.882 -2.147 -10.033 1.00 0.00 C ATOM 939 CD1 LEU A 62 -5.911 -2.522 -8.910 1.00 0.00 C ATOM 940 CD2 LEU A 62 -8.188 -1.639 -9.417 1.00 0.00 C ATOM 0 H LEU A 62 -4.325 -0.464 -13.306 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.636 -2.724 -12.146 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.460 -0.552 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.015 -0.282 -11.117 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.080 -3.022 -10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.351 -3.307 -8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.976 -2.880 -9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.713 -1.646 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.628 -2.423 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.983 -0.764 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.884 -1.368 -10.211 1.00 0.00 H new ATOM 952 N PHE A 63 -6.173 -1.277 -14.561 1.00 0.00 N ATOM 953 CA PHE A 63 -7.052 -0.981 -15.729 1.00 0.00 C ATOM 954 C PHE A 63 -6.304 -1.252 -17.037 1.00 0.00 C ATOM 955 O PHE A 63 -6.264 -0.424 -17.924 1.00 0.00 O ATOM 956 CB PHE A 63 -7.389 0.505 -15.600 1.00 0.00 C ATOM 957 CG PHE A 63 -8.353 0.900 -16.692 1.00 0.00 C ATOM 958 CD1 PHE A 63 -9.668 0.422 -16.672 1.00 0.00 C ATOM 959 CD2 PHE A 63 -7.932 1.747 -17.724 1.00 0.00 C ATOM 960 CE1 PHE A 63 -10.562 0.791 -17.684 1.00 0.00 C ATOM 961 CE2 PHE A 63 -8.826 2.116 -18.736 1.00 0.00 C ATOM 962 CZ PHE A 63 -10.142 1.638 -18.716 1.00 0.00 C ATOM 0 H PHE A 63 -5.188 -1.422 -14.783 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.947 -1.603 -15.743 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.828 0.706 -14.623 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.480 1.102 -15.670 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.993 -0.231 -15.876 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.917 2.116 -17.739 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.577 0.422 -17.668 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.501 2.769 -19.532 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.832 1.923 -19.496 1.00 0.00 H new ATOM 972 N GLU A 64 -5.711 -2.408 -17.163 1.00 0.00 N ATOM 973 CA GLU A 64 -4.967 -2.731 -18.415 1.00 0.00 C ATOM 974 C GLU A 64 -5.845 -2.456 -19.638 1.00 0.00 C ATOM 975 O GLU A 64 -6.690 -3.250 -20.000 1.00 0.00 O ATOM 976 CB GLU A 64 -4.645 -4.222 -18.310 1.00 0.00 C ATOM 977 CG GLU A 64 -3.129 -4.424 -18.366 1.00 0.00 C ATOM 978 CD GLU A 64 -2.813 -5.920 -18.396 1.00 0.00 C ATOM 979 OE1 GLU A 64 -3.698 -6.698 -18.077 1.00 0.00 O ATOM 980 OE2 GLU A 64 -1.694 -6.262 -18.736 1.00 0.00 O ATOM 0 H GLU A 64 -5.709 -3.142 -16.455 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.067 -2.126 -18.529 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.042 -4.625 -17.378 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.125 -4.766 -19.123 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.719 -3.937 -19.251 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.658 -3.959 -17.500 1.00 0.00 H new ATOM 987 N ASP A 65 -5.652 -1.335 -20.278 1.00 0.00 N ATOM 988 CA ASP A 65 -6.476 -1.009 -21.478 1.00 0.00 C ATOM 989 C ASP A 65 -5.747 -1.438 -22.753 1.00 0.00 C ATOM 990 O ASP A 65 -4.849 -0.722 -23.168 1.00 0.00 O ATOM 991 CB ASP A 65 -6.647 0.509 -21.442 1.00 0.00 C ATOM 992 CG ASP A 65 -7.314 0.979 -22.735 1.00 0.00 C ATOM 993 OD1 ASP A 65 -8.529 0.894 -22.816 1.00 0.00 O ATOM 994 OD2 ASP A 65 -6.600 1.417 -23.622 1.00 0.00 O ATOM 995 OXT ASP A 65 -6.096 -2.475 -23.293 1.00 0.00 O ATOM 0 H ASP A 65 -4.960 -0.631 -20.022 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.435 -1.526 -21.472 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.253 0.797 -20.583 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.677 0.992 -21.325 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.999 0.429 1.334 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 5.661 -8.926 0.138 1.00 0.00 ZN