USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc=-0.000866 K(o=-0.00087,f=-1.4) USER MOD Single : A 6 HIS : no HD1:sc=-0.00227 X(o=-0.0023,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 12 THR OG1 : rot 72:sc= 0.0381 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.25) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 35 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.72) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 39 THR OG1 : rot -170:sc= -1.1 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.663 0.138 2.565 1.00 60.33 N ATOM 2 CA LEU A 1 4.041 1.109 1.544 1.00 3.11 C ATOM 3 C LEU A 1 5.474 0.877 1.076 1.00 62.44 C ATOM 4 O LEU A 1 6.416 1.463 1.609 1.00 24.43 O ATOM 5 CB LEU A 1 3.895 2.532 2.087 1.00 75.32 C ATOM 6 CG LEU A 1 3.973 3.656 1.053 1.00 23.22 C ATOM 7 CD1 LEU A 1 2.908 3.473 -0.017 1.00 22.23 C ATOM 8 CD2 LEU A 1 3.827 5.012 1.728 1.00 73.11 C ATOM 0 H1 LEU A 1 2.684 0.316 2.868 1.00 60.33 H new ATOM 0 H2 LEU A 1 3.735 -0.823 2.174 1.00 60.33 H new ATOM 0 H3 LEU A 1 4.300 0.228 3.382 1.00 60.33 H new ATOM 0 HA LEU A 1 3.374 0.981 0.691 1.00 3.11 H new ATOM 0 HB2 LEU A 1 2.938 2.606 2.603 1.00 75.32 H new ATOM 0 HB3 LEU A 1 4.673 2.697 2.833 1.00 75.32 H new ATOM 0 HG LEU A 1 4.951 3.615 0.573 1.00 23.22 H new ATOM 0 HD11 LEU A 1 2.979 4.282 -0.744 1.00 22.23 H new ATOM 0 HD12 LEU A 1 3.059 2.518 -0.521 1.00 22.23 H new ATOM 0 HD13 LEU A 1 1.921 3.487 0.446 1.00 22.23 H new ATOM 0 HD21 LEU A 1 3.885 5.800 0.977 1.00 73.11 H new ATOM 0 HD22 LEU A 1 2.864 5.064 2.235 1.00 73.11 H new ATOM 0 HD23 LEU A 1 4.628 5.144 2.456 1.00 73.11 H new ATOM 20 N LYS A 2 5.632 0.019 0.073 1.00 55.10 N ATOM 21 CA LYS A 2 6.949 -0.289 -0.471 1.00 74.13 C ATOM 22 C LYS A 2 7.028 0.085 -1.948 1.00 22.21 C ATOM 23 O LYS A 2 6.541 -0.646 -2.809 1.00 71.42 O ATOM 24 CB LYS A 2 7.261 -1.777 -0.293 1.00 43.44 C ATOM 25 CG LYS A 2 7.603 -2.159 1.136 1.00 23.51 C ATOM 26 CD LYS A 2 6.766 -3.334 1.614 1.00 2.14 C ATOM 27 CE LYS A 2 7.527 -4.189 2.616 1.00 34.12 C ATOM 28 NZ LYS A 2 6.796 -5.445 2.941 1.00 72.44 N ATOM 0 H LYS A 2 4.863 -0.476 -0.380 1.00 55.10 H new ATOM 0 HA LYS A 2 7.687 0.299 0.075 1.00 74.13 H new ATOM 0 HB2 LYS A 2 6.402 -2.362 -0.621 1.00 43.44 H new ATOM 0 HB3 LYS A 2 8.095 -2.045 -0.942 1.00 43.44 H new ATOM 0 HG2 LYS A 2 8.661 -2.414 1.202 1.00 23.51 H new ATOM 0 HG3 LYS A 2 7.439 -1.304 1.792 1.00 23.51 H new ATOM 0 HD2 LYS A 2 5.848 -2.966 2.072 1.00 2.14 H new ATOM 0 HD3 LYS A 2 6.474 -3.945 0.760 1.00 2.14 H new ATOM 0 HE2 LYS A 2 8.509 -4.435 2.212 1.00 34.12 H new ATOM 0 HE3 LYS A 2 7.692 -3.618 3.530 1.00 34.12 H new ATOM 0 HZ1 LYS A 2 7.347 -6.000 3.627 1.00 72.44 H new ATOM 0 HZ2 LYS A 2 5.869 -5.211 3.350 1.00 72.44 H new ATOM 0 HZ3 LYS A 2 6.661 -6.002 2.073 1.00 72.44 H new ATOM 42 N GLU A 3 7.647 1.227 -2.232 1.00 72.32 N ATOM 43 CA GLU A 3 7.790 1.696 -3.605 1.00 60.24 C ATOM 44 C GLU A 3 8.920 2.715 -3.717 1.00 65.31 C ATOM 45 O GLU A 3 9.583 3.033 -2.731 1.00 30.04 O ATOM 46 CB GLU A 3 6.480 2.316 -4.095 1.00 73.34 C ATOM 47 CG GLU A 3 6.118 1.928 -5.519 1.00 42.35 C ATOM 48 CD GLU A 3 5.248 0.688 -5.584 1.00 2.03 C ATOM 49 OE1 GLU A 3 4.018 0.835 -5.745 1.00 65.54 O ATOM 50 OE2 GLU A 3 5.796 -0.428 -5.472 1.00 64.32 O ATOM 0 H GLU A 3 8.057 1.843 -1.530 1.00 72.32 H new ATOM 0 HA GLU A 3 8.034 0.838 -4.231 1.00 60.24 H new ATOM 0 HB2 GLU A 3 5.673 2.013 -3.428 1.00 73.34 H new ATOM 0 HB3 GLU A 3 6.555 3.402 -4.031 1.00 73.34 H new ATOM 0 HG2 GLU A 3 5.597 2.758 -5.996 1.00 42.35 H new ATOM 0 HG3 GLU A 3 7.032 1.756 -6.088 1.00 42.35 H new ATOM 57 N ASN A 4 9.135 3.222 -4.927 1.00 34.02 N ATOM 58 CA ASN A 4 10.185 4.204 -5.169 1.00 23.02 C ATOM 59 C ASN A 4 9.638 5.412 -5.922 1.00 54.33 C ATOM 60 O ASN A 4 10.303 5.963 -6.800 1.00 15.33 O ATOM 61 CB ASN A 4 11.331 3.571 -5.961 1.00 51.13 C ATOM 62 CG ASN A 4 12.213 2.689 -5.099 1.00 13.14 C ATOM 63 OD1 ASN A 4 11.743 1.725 -4.494 1.00 2.13 O ATOM 64 ND2 ASN A 4 13.498 3.017 -5.038 1.00 22.40 N ATOM 0 H ASN A 4 8.596 2.969 -5.755 1.00 34.02 H new ATOM 0 HA ASN A 4 10.562 4.541 -4.203 1.00 23.02 H new ATOM 0 HB2 ASN A 4 10.920 2.980 -6.779 1.00 51.13 H new ATOM 0 HB3 ASN A 4 11.937 4.358 -6.410 1.00 51.13 H new ATOM 0 HD21 ASN A 4 14.140 2.461 -4.473 1.00 22.40 H new ATOM 0 HD22 ASN A 4 13.843 3.825 -5.556 1.00 22.40 H new ATOM 71 N ASP A 5 8.422 5.819 -5.573 1.00 61.11 N ATOM 72 CA ASP A 5 7.785 6.963 -6.215 1.00 11.03 C ATOM 73 C ASP A 5 6.742 7.590 -5.295 1.00 54.23 C ATOM 74 O ASP A 5 6.952 8.673 -4.748 1.00 12.10 O ATOM 75 CB ASP A 5 7.133 6.539 -7.532 1.00 21.33 C ATOM 76 CG ASP A 5 7.920 7.001 -8.742 1.00 54.44 C ATOM 77 OD1 ASP A 5 8.903 6.323 -9.106 1.00 70.34 O ATOM 78 OD2 ASP A 5 7.551 8.042 -9.326 1.00 62.45 O ATOM 0 H ASP A 5 7.858 5.374 -4.849 1.00 61.11 H new ATOM 0 HA ASP A 5 8.554 7.707 -6.423 1.00 11.03 H new ATOM 0 HB2 ASP A 5 7.040 5.453 -7.555 1.00 21.33 H new ATOM 0 HB3 ASP A 5 6.123 6.946 -7.582 1.00 21.33 H new ATOM 83 N HIS A 6 5.616 6.903 -5.131 1.00 14.02 N ATOM 84 CA HIS A 6 4.539 7.393 -4.278 1.00 14.12 C ATOM 85 C HIS A 6 4.999 7.497 -2.827 1.00 21.31 C ATOM 86 O HIS A 6 4.477 8.301 -2.056 1.00 50.30 O ATOM 87 CB HIS A 6 3.323 6.471 -4.375 1.00 20.23 C ATOM 88 CG HIS A 6 2.045 7.116 -3.934 1.00 61.11 C ATOM 89 ND1 HIS A 6 1.292 6.650 -2.877 1.00 60.54 N ATOM 90 CD2 HIS A 6 1.389 8.199 -4.413 1.00 21.31 C ATOM 91 CE1 HIS A 6 0.227 7.416 -2.726 1.00 41.53 C ATOM 92 NE2 HIS A 6 0.262 8.364 -3.645 1.00 45.44 N ATOM 0 H HIS A 6 5.426 6.006 -5.577 1.00 14.02 H new ATOM 0 HA HIS A 6 4.259 8.388 -4.624 1.00 14.12 H new ATOM 0 HB2 HIS A 6 3.214 6.135 -5.406 1.00 20.23 H new ATOM 0 HB3 HIS A 6 3.501 5.584 -3.768 1.00 20.23 H new ATOM 0 HD2 HIS A 6 1.695 8.818 -5.244 1.00 21.31 H new ATOM 0 HE1 HIS A 6 -0.542 7.289 -1.978 1.00 41.53 H new ATOM 0 HE2 HIS A 6 -0.435 9.099 -3.765 1.00 45.44 H new ATOM 100 N ALA A 7 5.979 6.677 -2.462 1.00 62.42 N ATOM 101 CA ALA A 7 6.510 6.677 -1.105 1.00 3.12 C ATOM 102 C ALA A 7 7.234 7.984 -0.799 1.00 64.11 C ATOM 103 O ALA A 7 6.913 8.670 0.171 1.00 51.30 O ATOM 104 CB ALA A 7 7.445 5.494 -0.904 1.00 23.25 C ATOM 0 H ALA A 7 6.421 6.004 -3.088 1.00 62.42 H new ATOM 0 HA ALA A 7 5.672 6.585 -0.414 1.00 3.12 H new ATOM 0 HB1 ALA A 7 7.834 5.507 0.114 1.00 23.25 H new ATOM 0 HB2 ALA A 7 6.899 4.566 -1.072 1.00 23.25 H new ATOM 0 HB3 ALA A 7 8.273 5.561 -1.610 1.00 23.25 H new ATOM 110 N ARG A 8 8.213 8.321 -1.632 1.00 43.52 N ATOM 111 CA ARG A 8 8.984 9.545 -1.449 1.00 42.33 C ATOM 112 C ARG A 8 8.072 10.769 -1.457 1.00 62.44 C ATOM 113 O ARG A 8 8.219 11.671 -0.633 1.00 43.21 O ATOM 114 CB ARG A 8 10.041 9.677 -2.547 1.00 61.44 C ATOM 115 CG ARG A 8 10.757 11.017 -2.546 1.00 45.11 C ATOM 116 CD ARG A 8 12.268 10.842 -2.519 1.00 72.45 C ATOM 117 NE ARG A 8 12.798 10.866 -1.159 1.00 33.12 N ATOM 118 CZ ARG A 8 12.946 11.978 -0.448 1.00 3.13 C ATOM 119 NH1 ARG A 8 12.606 13.150 -0.966 1.00 2.34 N ATOM 120 NH2 ARG A 8 13.435 11.919 0.784 1.00 24.13 N ATOM 0 H ARG A 8 8.491 7.764 -2.440 1.00 43.52 H new ATOM 0 HA ARG A 8 9.481 9.489 -0.480 1.00 42.33 H new ATOM 0 HB2 ARG A 8 10.777 8.882 -2.429 1.00 61.44 H new ATOM 0 HB3 ARG A 8 9.566 9.530 -3.517 1.00 61.44 H new ATOM 0 HG2 ARG A 8 10.471 11.584 -3.432 1.00 45.11 H new ATOM 0 HG3 ARG A 8 10.442 11.599 -1.680 1.00 45.11 H new ATOM 0 HD2 ARG A 8 12.532 9.897 -2.994 1.00 72.45 H new ATOM 0 HD3 ARG A 8 12.735 11.634 -3.104 1.00 72.45 H new ATOM 0 HE ARG A 8 13.069 9.981 -0.732 1.00 33.12 H new ATOM 0 HH11 ARG A 8 12.230 13.199 -1.913 1.00 2.34 H new ATOM 0 HH12 ARG A 8 12.721 14.002 -0.418 1.00 2.34 H new ATOM 0 HH21 ARG A 8 13.698 11.019 1.186 1.00 24.13 H new ATOM 0 HH22 ARG A 8 13.548 12.774 1.329 1.00 24.13 H new ATOM 134 N PHE A 9 7.130 10.792 -2.395 1.00 23.24 N ATOM 135 CA PHE A 9 6.195 11.905 -2.511 1.00 62.34 C ATOM 136 C PHE A 9 5.404 12.088 -1.220 1.00 33.12 C ATOM 137 O PHE A 9 5.312 13.194 -0.686 1.00 12.21 O ATOM 138 CB PHE A 9 5.237 11.673 -3.681 1.00 70.25 C ATOM 139 CG PHE A 9 5.605 12.441 -4.919 1.00 33.22 C ATOM 140 CD1 PHE A 9 5.770 13.816 -4.873 1.00 63.42 C ATOM 141 CD2 PHE A 9 5.784 11.788 -6.128 1.00 23.24 C ATOM 142 CE1 PHE A 9 6.109 14.525 -6.010 1.00 0.41 C ATOM 143 CE2 PHE A 9 6.123 12.492 -7.267 1.00 44.14 C ATOM 144 CZ PHE A 9 6.285 13.863 -7.209 1.00 32.33 C ATOM 0 H PHE A 9 6.994 10.053 -3.085 1.00 23.24 H new ATOM 0 HA PHE A 9 6.770 12.812 -2.695 1.00 62.34 H new ATOM 0 HB2 PHE A 9 5.215 10.609 -3.916 1.00 70.25 H new ATOM 0 HB3 PHE A 9 4.229 11.953 -3.376 1.00 70.25 H new ATOM 0 HD1 PHE A 9 5.632 14.339 -3.938 1.00 63.42 H new ATOM 0 HD2 PHE A 9 5.657 10.717 -6.180 1.00 23.24 H new ATOM 0 HE1 PHE A 9 6.236 15.596 -5.961 1.00 0.41 H new ATOM 0 HE2 PHE A 9 6.261 11.971 -8.203 1.00 44.14 H new ATOM 0 HZ PHE A 9 6.549 14.415 -8.099 1.00 32.33 H new ATOM 154 N LEU A 10 4.833 10.996 -0.723 1.00 23.11 N ATOM 155 CA LEU A 10 4.048 11.034 0.506 1.00 4.52 C ATOM 156 C LEU A 10 4.883 11.562 1.669 1.00 51.32 C ATOM 157 O LEU A 10 4.431 12.416 2.432 1.00 61.15 O ATOM 158 CB LEU A 10 3.515 9.640 0.838 1.00 23.31 C ATOM 159 CG LEU A 10 2.044 9.563 1.247 1.00 10.35 C ATOM 160 CD1 LEU A 10 1.210 8.956 0.130 1.00 12.31 C ATOM 161 CD2 LEU A 10 1.888 8.758 2.529 1.00 1.45 C ATOM 0 H LEU A 10 4.899 10.073 -1.152 1.00 23.11 H new ATOM 0 HA LEU A 10 3.207 11.710 0.350 1.00 4.52 H new ATOM 0 HB2 LEU A 10 3.663 9.000 -0.032 1.00 23.31 H new ATOM 0 HB3 LEU A 10 4.118 9.225 1.646 1.00 23.31 H new ATOM 0 HG LEU A 10 1.685 10.576 1.431 1.00 10.35 H new ATOM 0 HD11 LEU A 10 0.166 8.909 0.440 1.00 12.31 H new ATOM 0 HD12 LEU A 10 1.296 9.573 -0.765 1.00 12.31 H new ATOM 0 HD13 LEU A 10 1.569 7.950 -0.087 1.00 12.31 H new ATOM 0 HD21 LEU A 10 0.834 8.714 2.805 1.00 1.45 H new ATOM 0 HD22 LEU A 10 2.265 7.747 2.372 1.00 1.45 H new ATOM 0 HD23 LEU A 10 2.453 9.236 3.330 1.00 1.45 H new ATOM 173 N GLN A 11 6.103 11.050 1.796 1.00 74.33 N ATOM 174 CA GLN A 11 7.000 11.471 2.865 1.00 44.24 C ATOM 175 C GLN A 11 7.170 12.987 2.867 1.00 62.20 C ATOM 176 O GLN A 11 7.404 13.595 3.912 1.00 32.01 O ATOM 177 CB GLN A 11 8.363 10.794 2.711 1.00 22.45 C ATOM 178 CG GLN A 11 8.450 9.440 3.397 1.00 31.41 C ATOM 179 CD GLN A 11 9.876 9.037 3.716 1.00 43.21 C ATOM 180 OE1 GLN A 11 10.587 9.742 4.433 1.00 11.21 O ATOM 181 NE2 GLN A 11 10.303 7.898 3.184 1.00 44.14 N ATOM 0 H GLN A 11 6.493 10.343 1.172 1.00 74.33 H new ATOM 0 HA GLN A 11 6.558 11.172 3.815 1.00 44.24 H new ATOM 0 HB2 GLN A 11 8.580 10.669 1.650 1.00 22.45 H new ATOM 0 HB3 GLN A 11 9.133 11.449 3.119 1.00 22.45 H new ATOM 0 HG2 GLN A 11 7.869 9.466 4.319 1.00 31.41 H new ATOM 0 HG3 GLN A 11 7.997 8.683 2.757 1.00 31.41 H new ATOM 0 HE21 GLN A 11 9.680 7.345 2.596 1.00 44.14 H new ATOM 0 HE22 GLN A 11 11.254 7.576 3.364 1.00 44.14 H new ATOM 190 N THR A 12 7.052 13.593 1.689 1.00 33.45 N ATOM 191 CA THR A 12 7.194 15.037 1.555 1.00 34.13 C ATOM 192 C THR A 12 5.950 15.761 2.058 1.00 74.44 C ATOM 193 O THR A 12 6.028 16.598 2.956 1.00 55.34 O ATOM 194 CB THR A 12 7.454 15.442 0.092 1.00 11.22 C ATOM 195 OG1 THR A 12 8.701 14.898 -0.353 1.00 23.44 O ATOM 196 CG2 THR A 12 7.475 16.956 -0.054 1.00 53.33 C ATOM 0 H THR A 12 6.858 13.105 0.814 1.00 33.45 H new ATOM 0 HA THR A 12 8.051 15.328 2.163 1.00 34.13 H new ATOM 0 HB THR A 12 6.645 15.044 -0.521 1.00 11.22 H new ATOM 0 HG1 THR A 12 8.612 13.929 -0.469 1.00 23.44 H new ATOM 0 HG21 THR A 12 7.660 17.219 -1.096 1.00 53.33 H new ATOM 0 HG22 THR A 12 6.514 17.365 0.258 1.00 53.33 H new ATOM 0 HG23 THR A 12 8.266 17.371 0.571 1.00 53.33 H new ATOM 204 N ALA A 13 4.803 15.431 1.473 1.00 55.33 N ATOM 205 CA ALA A 13 3.541 16.048 1.863 1.00 1.45 C ATOM 206 C ALA A 13 3.333 15.965 3.372 1.00 61.22 C ATOM 207 O ALA A 13 2.785 16.881 3.985 1.00 30.24 O ATOM 208 CB ALA A 13 2.382 15.389 1.131 1.00 32.25 C ATOM 0 H ALA A 13 4.722 14.740 0.727 1.00 55.33 H new ATOM 0 HA ALA A 13 3.579 17.101 1.585 1.00 1.45 H new ATOM 0 HB1 ALA A 13 1.446 15.860 1.432 1.00 32.25 H new ATOM 0 HB2 ALA A 13 2.517 15.506 0.056 1.00 32.25 H new ATOM 0 HB3 ALA A 13 2.351 14.328 1.380 1.00 32.25 H new ATOM 214 N LYS A 14 3.773 14.860 3.965 1.00 43.23 N ATOM 215 CA LYS A 14 3.636 14.656 5.402 1.00 43.21 C ATOM 216 C LYS A 14 4.674 15.471 6.168 1.00 34.54 C ATOM 217 O LYS A 14 4.350 16.139 7.149 1.00 23.34 O ATOM 218 CB LYS A 14 3.784 13.172 5.743 1.00 31.34 C ATOM 219 CG LYS A 14 3.608 12.867 7.221 1.00 2.10 C ATOM 220 CD LYS A 14 2.182 12.449 7.538 1.00 24.44 C ATOM 221 CE LYS A 14 2.137 11.077 8.194 1.00 1.15 C ATOM 222 NZ LYS A 14 0.740 10.595 8.376 1.00 71.23 N ATOM 0 H LYS A 14 4.228 14.092 3.472 1.00 43.23 H new ATOM 0 HA LYS A 14 2.643 14.993 5.699 1.00 43.21 H new ATOM 0 HB2 LYS A 14 3.050 12.602 5.173 1.00 31.34 H new ATOM 0 HB3 LYS A 14 4.769 12.831 5.425 1.00 31.34 H new ATOM 0 HG2 LYS A 14 4.295 12.073 7.514 1.00 2.10 H new ATOM 0 HG3 LYS A 14 3.869 13.747 7.809 1.00 2.10 H new ATOM 0 HD2 LYS A 14 1.724 13.185 8.199 1.00 24.44 H new ATOM 0 HD3 LYS A 14 1.593 12.435 6.621 1.00 24.44 H new ATOM 0 HE2 LYS A 14 2.690 10.364 7.583 1.00 1.15 H new ATOM 0 HE3 LYS A 14 2.635 11.121 9.163 1.00 1.15 H new ATOM 0 HZ1 LYS A 14 0.752 9.657 8.826 1.00 71.23 H new ATOM 0 HZ2 LYS A 14 0.219 11.262 8.980 1.00 71.23 H new ATOM 0 HZ3 LYS A 14 0.272 10.528 7.450 1.00 71.23 H new ATOM 236 N ASN A 15 5.921 15.411 5.713 1.00 72.40 N ATOM 237 CA ASN A 15 7.005 16.144 6.356 1.00 63.31 C ATOM 238 C ASN A 15 6.701 17.638 6.399 1.00 42.22 C ATOM 239 O ASN A 15 7.237 18.367 7.234 1.00 43.10 O ATOM 240 CB ASN A 15 8.322 15.901 5.615 1.00 21.15 C ATOM 241 CG ASN A 15 9.478 16.673 6.223 1.00 74.23 C ATOM 242 OD1 ASN A 15 9.607 16.760 7.444 1.00 61.41 O ATOM 243 ND2 ASN A 15 10.324 17.238 5.370 1.00 1.40 N ATOM 0 H ASN A 15 6.206 14.862 4.902 1.00 72.40 H new ATOM 0 HA ASN A 15 7.099 15.781 7.380 1.00 63.31 H new ATOM 0 HB2 ASN A 15 8.553 14.836 5.629 1.00 21.15 H new ATOM 0 HB3 ASN A 15 8.206 16.188 4.570 1.00 21.15 H new ATOM 0 HD21 ASN A 15 11.121 17.771 5.719 1.00 1.40 H new ATOM 0 HD22 ASN A 15 10.177 17.139 4.365 1.00 1.40 H new ATOM 250 N ILE A 16 5.838 18.087 5.494 1.00 34.21 N ATOM 251 CA ILE A 16 5.461 19.493 5.430 1.00 50.41 C ATOM 252 C ILE A 16 4.478 19.850 6.540 1.00 51.44 C ATOM 253 O ILE A 16 4.729 20.751 7.342 1.00 70.43 O ATOM 254 CB ILE A 16 4.832 19.846 4.069 1.00 1.31 C ATOM 255 CG1 ILE A 16 5.826 19.574 2.938 1.00 54.53 C ATOM 256 CG2 ILE A 16 4.387 21.301 4.053 1.00 42.14 C ATOM 257 CD1 ILE A 16 5.169 19.120 1.653 1.00 12.10 C ATOM 0 H ILE A 16 5.387 17.497 4.795 1.00 34.21 H new ATOM 0 HA ILE A 16 6.376 20.071 5.559 1.00 50.41 H new ATOM 0 HB ILE A 16 3.955 19.217 3.916 1.00 1.31 H new ATOM 0 HG12 ILE A 16 6.399 20.480 2.743 1.00 54.53 H new ATOM 0 HG13 ILE A 16 6.535 18.812 3.263 1.00 54.53 H new ATOM 0 HG21 ILE A 16 3.945 21.536 3.085 1.00 42.14 H new ATOM 0 HG22 ILE A 16 3.649 21.464 4.838 1.00 42.14 H new ATOM 0 HG23 ILE A 16 5.248 21.947 4.224 1.00 42.14 H new ATOM 0 HD11 ILE A 16 5.933 18.946 0.895 1.00 12.10 H new ATOM 0 HD12 ILE A 16 4.619 18.196 1.832 1.00 12.10 H new ATOM 0 HD13 ILE A 16 4.481 19.890 1.304 1.00 12.10 H new ATOM 269 N THR A 17 3.357 19.137 6.581 1.00 15.44 N ATOM 270 CA THR A 17 2.335 19.378 7.593 1.00 62.21 C ATOM 271 C THR A 17 2.802 18.912 8.967 1.00 30.12 C ATOM 272 O THR A 17 2.235 19.298 9.989 1.00 42.53 O ATOM 273 CB THR A 17 1.017 18.663 7.241 1.00 20.33 C ATOM 274 OG1 THR A 17 0.986 18.352 5.844 1.00 71.21 O ATOM 275 CG2 THR A 17 -0.181 19.529 7.600 1.00 20.10 C ATOM 0 H THR A 17 3.133 18.388 5.926 1.00 15.44 H new ATOM 0 HA THR A 17 2.161 20.454 7.617 1.00 62.21 H new ATOM 0 HB THR A 17 0.964 17.740 7.819 1.00 20.33 H new ATOM 0 HG1 THR A 17 0.146 17.896 5.629 1.00 71.21 H new ATOM 0 HG21 THR A 17 -1.100 19.003 7.342 1.00 20.10 H new ATOM 0 HG22 THR A 17 -0.171 19.739 8.670 1.00 20.10 H new ATOM 0 HG23 THR A 17 -0.132 20.466 7.046 1.00 20.10 H new ATOM 283 N GLU A 18 3.839 18.080 8.984 1.00 12.14 N ATOM 284 CA GLU A 18 4.381 17.562 10.235 1.00 31.00 C ATOM 285 C GLU A 18 5.355 18.557 10.859 1.00 22.23 C ATOM 286 O GLU A 18 5.426 18.689 12.081 1.00 11.12 O ATOM 287 CB GLU A 18 5.084 16.224 9.996 1.00 10.15 C ATOM 288 CG GLU A 18 5.549 15.544 11.274 1.00 53.45 C ATOM 289 CD GLU A 18 6.548 14.434 11.013 1.00 4.41 C ATOM 290 OE1 GLU A 18 7.748 14.743 10.856 1.00 65.40 O ATOM 291 OE2 GLU A 18 6.131 13.258 10.966 1.00 2.41 O ATOM 0 H GLU A 18 4.320 17.751 8.147 1.00 12.14 H new ATOM 0 HA GLU A 18 3.552 17.410 10.926 1.00 31.00 H new ATOM 0 HB2 GLU A 18 4.405 15.556 9.465 1.00 10.15 H new ATOM 0 HB3 GLU A 18 5.944 16.386 9.347 1.00 10.15 H new ATOM 0 HG2 GLU A 18 6.000 16.286 11.933 1.00 53.45 H new ATOM 0 HG3 GLU A 18 4.686 15.135 11.798 1.00 53.45 H new ATOM 298 N ARG A 19 6.105 19.253 10.011 1.00 13.52 N ATOM 299 CA ARG A 19 7.076 20.235 10.479 1.00 62.23 C ATOM 300 C ARG A 19 6.378 21.499 10.972 1.00 30.31 C ATOM 301 O ARG A 19 6.840 22.150 11.909 1.00 52.41 O ATOM 302 CB ARG A 19 8.058 20.586 9.359 1.00 32.41 C ATOM 303 CG ARG A 19 9.372 21.162 9.860 1.00 50.33 C ATOM 304 CD ARG A 19 9.716 22.462 9.150 1.00 43.32 C ATOM 305 NE ARG A 19 10.986 23.018 9.611 1.00 15.31 N ATOM 306 CZ ARG A 19 11.340 24.286 9.434 1.00 10.22 C ATOM 307 NH1 ARG A 19 10.525 25.125 8.810 1.00 72.02 N ATOM 308 NH2 ARG A 19 12.512 24.718 9.883 1.00 71.52 N ATOM 0 H ARG A 19 6.059 19.155 8.997 1.00 13.52 H new ATOM 0 HA ARG A 19 7.626 19.796 11.312 1.00 62.23 H new ATOM 0 HB2 ARG A 19 8.264 19.690 8.773 1.00 32.41 H new ATOM 0 HB3 ARG A 19 7.588 21.305 8.688 1.00 32.41 H new ATOM 0 HG2 ARG A 19 9.308 21.338 10.934 1.00 50.33 H new ATOM 0 HG3 ARG A 19 10.171 20.438 9.703 1.00 50.33 H new ATOM 0 HD2 ARG A 19 9.766 22.286 8.075 1.00 43.32 H new ATOM 0 HD3 ARG A 19 8.920 23.188 9.317 1.00 43.32 H new ATOM 0 HE ARG A 19 11.636 22.399 10.095 1.00 15.31 H new ATOM 0 HH11 ARG A 19 9.623 24.797 8.464 1.00 72.02 H new ATOM 0 HH12 ARG A 19 10.800 26.098 8.676 1.00 72.02 H new ATOM 0 HH21 ARG A 19 13.142 24.076 10.364 1.00 71.52 H new ATOM 0 HH22 ARG A 19 12.783 25.692 9.747 1.00 71.52 H new ATOM 322 N VAL A 20 5.262 21.840 10.335 1.00 65.35 N ATOM 323 CA VAL A 20 4.500 23.025 10.708 1.00 31.24 C ATOM 324 C VAL A 20 3.765 22.812 12.027 1.00 3.13 C ATOM 325 O VAL A 20 3.632 23.735 12.831 1.00 31.32 O ATOM 326 CB VAL A 20 3.478 23.401 9.619 1.00 1.52 C ATOM 327 CG1 VAL A 20 2.493 22.265 9.395 1.00 32.41 C ATOM 328 CG2 VAL A 20 2.750 24.683 9.993 1.00 14.43 C ATOM 0 H VAL A 20 4.866 21.312 9.558 1.00 65.35 H new ATOM 0 HA VAL A 20 5.216 23.839 10.821 1.00 31.24 H new ATOM 0 HB VAL A 20 4.014 23.573 8.686 1.00 1.52 H new ATOM 0 HG11 VAL A 20 1.779 22.550 8.622 1.00 32.41 H new ATOM 0 HG12 VAL A 20 3.033 21.372 9.079 1.00 32.41 H new ATOM 0 HG13 VAL A 20 1.960 22.057 10.323 1.00 32.41 H new ATOM 0 HG21 VAL A 20 2.032 24.934 9.213 1.00 14.43 H new ATOM 0 HG22 VAL A 20 2.225 24.541 10.938 1.00 14.43 H new ATOM 0 HG23 VAL A 20 3.471 25.494 10.097 1.00 14.43 H new ATOM 338 N SER A 21 3.291 21.590 12.243 1.00 34.54 N ATOM 339 CA SER A 21 2.566 21.256 13.464 1.00 30.40 C ATOM 340 C SER A 21 3.480 21.349 14.682 1.00 45.54 C ATOM 341 O SER A 21 3.173 22.044 15.650 1.00 45.32 O ATOM 342 CB SER A 21 1.975 19.848 13.363 1.00 64.12 C ATOM 343 OG SER A 21 1.704 19.315 14.648 1.00 45.04 O ATOM 0 H SER A 21 3.396 20.814 11.589 1.00 34.54 H new ATOM 0 HA SER A 21 1.756 21.975 13.583 1.00 30.40 H new ATOM 0 HB2 SER A 21 1.056 19.877 12.777 1.00 64.12 H new ATOM 0 HB3 SER A 21 2.670 19.196 12.834 1.00 64.12 H new ATOM 0 HG SER A 21 1.326 18.416 14.556 1.00 45.04 H new ATOM 349 N MET A 22 4.606 20.644 14.624 1.00 14.44 N ATOM 350 CA MET A 22 5.566 20.649 15.722 1.00 62.44 C ATOM 351 C MET A 22 6.052 22.065 16.014 1.00 72.24 C ATOM 352 O MET A 22 6.185 22.459 17.172 1.00 72.22 O ATOM 353 CB MET A 22 6.757 19.747 15.389 1.00 53.21 C ATOM 354 CG MET A 22 7.311 19.003 16.593 1.00 10.31 C ATOM 355 SD MET A 22 7.785 17.308 16.204 1.00 24.21 S ATOM 356 CE MET A 22 9.183 17.588 15.119 1.00 73.30 C ATOM 0 H MET A 22 4.875 20.063 13.830 1.00 14.44 H new ATOM 0 HA MET A 22 5.065 20.266 16.611 1.00 62.44 H new ATOM 0 HB2 MET A 22 6.454 19.023 14.633 1.00 53.21 H new ATOM 0 HB3 MET A 22 7.550 20.353 14.950 1.00 53.21 H new ATOM 0 HG2 MET A 22 8.178 19.539 16.979 1.00 10.31 H new ATOM 0 HG3 MET A 22 6.563 18.994 17.386 1.00 10.31 H new ATOM 0 HE1 MET A 22 9.588 16.630 14.793 1.00 73.30 H new ATOM 0 HE2 MET A 22 8.860 18.161 14.250 1.00 73.30 H new ATOM 0 HE3 MET A 22 9.953 18.144 15.654 1.00 73.30 H new ATOM 366 N ALA A 23 6.315 22.825 14.956 1.00 42.21 N ATOM 367 CA ALA A 23 6.784 24.198 15.100 1.00 63.24 C ATOM 368 C ALA A 23 5.814 25.025 15.936 1.00 72.12 C ATOM 369 O ALA A 23 6.216 25.712 16.876 1.00 61.43 O ATOM 370 CB ALA A 23 6.981 24.834 13.732 1.00 54.43 C ATOM 0 H ALA A 23 6.211 22.513 13.990 1.00 42.21 H new ATOM 0 HA ALA A 23 7.742 24.176 15.620 1.00 63.24 H new ATOM 0 HB1 ALA A 23 7.331 25.859 13.854 1.00 54.43 H new ATOM 0 HB2 ALA A 23 7.719 24.263 13.168 1.00 54.43 H new ATOM 0 HB3 ALA A 23 6.034 24.836 13.192 1.00 54.43 H new ATOM 376 N THR A 24 4.532 24.956 15.588 1.00 65.01 N ATOM 377 CA THR A 24 3.505 25.700 16.305 1.00 33.20 C ATOM 378 C THR A 24 3.154 25.021 17.624 1.00 74.52 C ATOM 379 O THR A 24 2.555 25.633 18.508 1.00 23.50 O ATOM 380 CB THR A 24 2.225 25.847 15.460 1.00 2.31 C ATOM 381 OG1 THR A 24 2.533 25.682 14.071 1.00 5.35 O ATOM 382 CG2 THR A 24 1.583 27.208 15.684 1.00 72.11 C ATOM 0 H THR A 24 4.181 24.392 14.814 1.00 65.01 H new ATOM 0 HA THR A 24 3.914 26.690 16.507 1.00 33.20 H new ATOM 0 HB THR A 24 1.521 25.075 15.769 1.00 2.31 H new ATOM 0 HG1 THR A 24 2.605 24.727 13.863 1.00 5.35 H new ATOM 0 HG21 THR A 24 0.681 27.289 15.077 1.00 72.11 H new ATOM 0 HG22 THR A 24 1.323 27.319 16.737 1.00 72.11 H new ATOM 0 HG23 THR A 24 2.284 27.992 15.399 1.00 72.11 H new ATOM 390 N ALA A 25 3.530 23.752 17.749 1.00 2.24 N ATOM 391 CA ALA A 25 3.257 22.991 18.962 1.00 62.21 C ATOM 392 C ALA A 25 4.361 23.190 19.995 1.00 20.51 C ATOM 393 O ALA A 25 4.175 22.907 21.179 1.00 54.43 O ATOM 394 CB ALA A 25 3.099 21.514 18.633 1.00 20.32 C ATOM 0 H ALA A 25 4.024 23.230 17.025 1.00 2.24 H new ATOM 0 HA ALA A 25 2.325 23.359 19.390 1.00 62.21 H new ATOM 0 HB1 ALA A 25 2.896 20.957 19.548 1.00 20.32 H new ATOM 0 HB2 ALA A 25 2.271 21.383 17.937 1.00 20.32 H new ATOM 0 HB3 ALA A 25 4.017 21.142 18.179 1.00 20.32 H new ATOM 400 N SER A 26 5.511 23.676 19.540 1.00 40.14 N ATOM 401 CA SER A 26 6.647 23.908 20.424 1.00 12.22 C ATOM 402 C SER A 26 6.904 25.402 20.597 1.00 23.01 C ATOM 403 O SER A 26 7.769 25.808 21.373 1.00 0.33 O ATOM 404 CB SER A 26 7.899 23.224 19.872 1.00 73.12 C ATOM 405 OG SER A 26 8.631 22.590 20.906 1.00 64.43 O ATOM 0 H SER A 26 5.681 23.917 18.564 1.00 40.14 H new ATOM 0 HA SER A 26 6.410 23.482 21.399 1.00 12.22 H new ATOM 0 HB2 SER A 26 7.614 22.488 19.120 1.00 73.12 H new ATOM 0 HB3 SER A 26 8.530 23.960 19.374 1.00 73.12 H new ATOM 0 HG SER A 26 9.426 22.159 20.527 1.00 64.43 H new ATOM 411 N SER A 27 6.147 26.215 19.868 1.00 51.04 N ATOM 412 CA SER A 27 6.295 27.664 19.936 1.00 13.14 C ATOM 413 C SER A 27 5.235 28.276 20.848 1.00 73.43 C ATOM 414 O SER A 27 5.556 28.987 21.799 1.00 55.31 O ATOM 415 CB SER A 27 6.195 28.275 18.537 1.00 13.14 C ATOM 416 OG SER A 27 6.540 29.649 18.555 1.00 1.32 O ATOM 0 H SER A 27 5.425 25.895 19.223 1.00 51.04 H new ATOM 0 HA SER A 27 7.278 27.885 20.351 1.00 13.14 H new ATOM 0 HB2 SER A 27 6.856 27.740 17.855 1.00 13.14 H new ATOM 0 HB3 SER A 27 5.180 28.156 18.157 1.00 13.14 H new ATOM 0 HG SER A 27 6.470 30.016 17.649 1.00 1.32 H new ATOM 422 N GLN A 28 3.971 27.992 20.548 1.00 22.04 N ATOM 423 CA GLN A 28 2.864 28.514 21.340 1.00 55.42 C ATOM 424 C GLN A 28 2.271 27.428 22.231 1.00 60.31 C ATOM 425 O GLN A 28 1.247 27.634 22.883 1.00 42.45 O ATOM 426 CB GLN A 28 1.780 29.087 20.424 1.00 21.41 C ATOM 427 CG GLN A 28 2.272 30.214 19.531 1.00 15.30 C ATOM 428 CD GLN A 28 1.512 31.508 19.753 1.00 62.51 C ATOM 429 OE1 GLN A 28 1.502 32.054 20.856 1.00 24.34 O ATOM 430 NE2 GLN A 28 0.870 32.005 18.702 1.00 5.23 N ATOM 0 H GLN A 28 3.689 27.404 19.763 1.00 22.04 H new ATOM 0 HA GLN A 28 3.250 29.310 21.977 1.00 55.42 H new ATOM 0 HB2 GLN A 28 1.383 28.287 19.800 1.00 21.41 H new ATOM 0 HB3 GLN A 28 0.955 29.453 21.036 1.00 21.41 H new ATOM 0 HG2 GLN A 28 3.333 30.383 19.717 1.00 15.30 H new ATOM 0 HG3 GLN A 28 2.175 29.914 18.487 1.00 15.30 H new ATOM 0 HE21 GLN A 28 0.905 31.519 17.806 1.00 5.23 H new ATOM 0 HE22 GLN A 28 0.342 32.873 18.791 1.00 5.23 H new ATOM 439 N VAL A 29 2.921 26.269 22.254 1.00 24.52 N ATOM 440 CA VAL A 29 2.459 25.149 23.066 1.00 63.11 C ATOM 441 C VAL A 29 1.105 24.642 22.583 1.00 62.23 C ATOM 442 O VAL A 29 0.423 23.895 23.286 1.00 54.34 O ATOM 443 CB VAL A 29 2.348 25.541 24.551 1.00 22.23 C ATOM 444 CG1 VAL A 29 2.282 24.299 25.428 1.00 52.33 C ATOM 445 CG2 VAL A 29 3.516 26.428 24.957 1.00 73.23 C ATOM 0 H VAL A 29 3.769 26.081 21.720 1.00 24.52 H new ATOM 0 HA VAL A 29 3.199 24.356 22.962 1.00 63.11 H new ATOM 0 HB VAL A 29 1.426 26.106 24.691 1.00 22.23 H new ATOM 0 HG11 VAL A 29 2.204 24.596 26.474 1.00 52.33 H new ATOM 0 HG12 VAL A 29 1.410 23.705 25.153 1.00 52.33 H new ATOM 0 HG13 VAL A 29 3.185 23.705 25.286 1.00 52.33 H new ATOM 0 HG21 VAL A 29 3.421 26.695 26.009 1.00 73.23 H new ATOM 0 HG22 VAL A 29 4.452 25.891 24.802 1.00 73.23 H new ATOM 0 HG23 VAL A 29 3.513 27.334 24.351 1.00 73.23 H new ATOM 455 N LEU A 30 0.722 25.051 21.379 1.00 51.25 N ATOM 456 CA LEU A 30 -0.552 24.638 20.799 1.00 23.14 C ATOM 457 C LEU A 30 -1.699 24.889 21.772 1.00 33.24 C ATOM 458 O LEU A 30 -2.427 23.966 22.140 1.00 54.23 O ATOM 459 CB LEU A 30 -0.505 23.157 20.419 1.00 21.12 C ATOM 460 CG LEU A 30 -1.377 22.740 19.234 1.00 11.24 C ATOM 461 CD1 LEU A 30 -0.731 23.158 17.923 1.00 42.32 C ATOM 462 CD2 LEU A 30 -1.623 21.239 19.255 1.00 21.42 C ATOM 0 H LEU A 30 1.275 25.668 20.785 1.00 51.25 H new ATOM 0 HA LEU A 30 -0.725 25.232 19.901 1.00 23.14 H new ATOM 0 HB2 LEU A 30 0.528 22.893 20.195 1.00 21.12 H new ATOM 0 HB3 LEU A 30 -0.803 22.570 21.288 1.00 21.12 H new ATOM 0 HG LEU A 30 -2.338 23.246 19.319 1.00 11.24 H new ATOM 0 HD11 LEU A 30 -1.366 22.853 17.091 1.00 42.32 H new ATOM 0 HD12 LEU A 30 -0.608 24.241 17.907 1.00 42.32 H new ATOM 0 HD13 LEU A 30 0.244 22.680 17.829 1.00 42.32 H new ATOM 0 HD21 LEU A 30 -2.245 20.960 18.405 1.00 21.42 H new ATOM 0 HD22 LEU A 30 -0.670 20.713 19.195 1.00 21.42 H new ATOM 0 HD23 LEU A 30 -2.130 20.966 20.180 1.00 21.42 H new ATOM 474 N ILE A 31 -1.856 26.142 22.184 1.00 5.42 N ATOM 475 CA ILE A 31 -2.917 26.515 23.112 1.00 64.44 C ATOM 476 C ILE A 31 -3.559 27.838 22.710 1.00 44.22 C ATOM 477 O ILE A 31 -2.942 28.684 22.062 1.00 51.23 O ATOM 478 CB ILE A 31 -2.389 26.630 24.554 1.00 70.21 C ATOM 479 CG1 ILE A 31 -1.175 27.560 24.603 1.00 21.43 C ATOM 480 CG2 ILE A 31 -2.033 25.255 25.099 1.00 64.21 C ATOM 481 CD1 ILE A 31 -1.372 28.764 25.496 1.00 13.44 C ATOM 0 H ILE A 31 -1.262 26.917 21.890 1.00 5.42 H new ATOM 0 HA ILE A 31 -3.665 25.724 23.070 1.00 64.44 H new ATOM 0 HB ILE A 31 -3.174 27.055 25.180 1.00 70.21 H new ATOM 0 HG12 ILE A 31 -0.310 26.997 24.952 1.00 21.43 H new ATOM 0 HG13 ILE A 31 -0.947 27.900 23.593 1.00 21.43 H new ATOM 0 HG21 ILE A 31 -1.661 25.353 26.119 1.00 64.21 H new ATOM 0 HG22 ILE A 31 -2.920 24.621 25.095 1.00 64.21 H new ATOM 0 HG23 ILE A 31 -1.262 24.804 24.474 1.00 64.21 H new ATOM 0 HD11 ILE A 31 -0.472 29.378 25.482 1.00 13.44 H new ATOM 0 HD12 ILE A 31 -2.217 29.350 25.135 1.00 13.44 H new ATOM 0 HD13 ILE A 31 -1.570 28.432 26.515 1.00 13.44 H new ATOM 493 N PRO A 32 -4.827 28.024 23.104 1.00 1.53 N ATOM 494 CA PRO A 32 -5.580 29.244 22.799 1.00 40.53 C ATOM 495 C PRO A 32 -5.060 30.454 23.567 1.00 10.52 C ATOM 496 O PRO A 32 -4.337 30.311 24.552 1.00 24.11 O ATOM 497 CB PRO A 32 -7.005 28.902 23.241 1.00 62.01 C ATOM 498 CG PRO A 32 -6.836 27.851 24.284 1.00 43.44 C ATOM 499 CD PRO A 32 -5.623 27.059 23.880 1.00 74.43 C ATOM 0 HA PRO A 32 -5.500 29.519 21.747 1.00 40.53 H new ATOM 0 HB2 PRO A 32 -7.517 29.778 23.641 1.00 62.01 H new ATOM 0 HB3 PRO A 32 -7.602 28.538 22.405 1.00 62.01 H new ATOM 0 HG2 PRO A 32 -6.701 28.297 25.269 1.00 43.44 H new ATOM 0 HG3 PRO A 32 -7.718 27.213 24.341 1.00 43.44 H new ATOM 0 HD2 PRO A 32 -5.075 26.693 24.748 1.00 74.43 H new ATOM 0 HD3 PRO A 32 -5.893 26.188 23.282 1.00 74.43 H new ATOM 507 N GLU A 33 -5.434 31.646 23.110 1.00 31.43 N ATOM 508 CA GLU A 33 -5.004 32.880 23.756 1.00 11.21 C ATOM 509 C GLU A 33 -5.977 34.017 23.458 1.00 10.42 C ATOM 510 O GLU A 33 -6.309 34.811 24.339 1.00 33.34 O ATOM 511 CB GLU A 33 -3.598 33.262 23.290 1.00 4.54 C ATOM 512 CG GLU A 33 -3.192 34.675 23.675 1.00 51.40 C ATOM 513 CD GLU A 33 -1.796 35.031 23.202 1.00 60.12 C ATOM 514 OE1 GLU A 33 -1.627 35.281 21.990 1.00 63.52 O ATOM 515 OE2 GLU A 33 -0.873 35.059 24.043 1.00 52.24 O ATOM 0 H GLU A 33 -6.033 31.782 22.296 1.00 31.43 H new ATOM 0 HA GLU A 33 -4.989 32.711 24.833 1.00 11.21 H new ATOM 0 HB2 GLU A 33 -2.881 32.559 23.713 1.00 4.54 H new ATOM 0 HB3 GLU A 33 -3.543 33.160 22.206 1.00 4.54 H new ATOM 0 HG2 GLU A 33 -3.906 35.382 23.252 1.00 51.40 H new ATOM 0 HG3 GLU A 33 -3.242 34.781 24.759 1.00 51.40 H new ATOM 522 N ILE A 34 -6.429 34.090 22.211 1.00 61.12 N ATOM 523 CA ILE A 34 -7.364 35.129 21.797 1.00 64.13 C ATOM 524 C ILE A 34 -7.952 34.824 20.423 1.00 25.32 C ATOM 525 O ILE A 34 -9.135 35.055 20.178 1.00 4.10 O ATOM 526 CB ILE A 34 -6.687 36.512 21.757 1.00 23.21 C ATOM 527 CG1 ILE A 34 -7.674 37.573 21.267 1.00 42.11 C ATOM 528 CG2 ILE A 34 -5.455 36.473 20.865 1.00 53.44 C ATOM 529 CD1 ILE A 34 -7.689 38.824 22.118 1.00 23.50 C ATOM 0 H ILE A 34 -6.163 33.442 21.470 1.00 61.12 H new ATOM 0 HA ILE A 34 -8.164 35.146 22.537 1.00 64.13 H new ATOM 0 HB ILE A 34 -6.372 36.776 22.767 1.00 23.21 H new ATOM 0 HG12 ILE A 34 -7.424 37.844 20.241 1.00 42.11 H new ATOM 0 HG13 ILE A 34 -8.676 37.144 21.248 1.00 42.11 H new ATOM 0 HG21 ILE A 34 -4.988 37.458 20.847 1.00 53.44 H new ATOM 0 HG22 ILE A 34 -4.747 35.742 21.255 1.00 53.44 H new ATOM 0 HG23 ILE A 34 -5.747 36.191 19.853 1.00 53.44 H new ATOM 0 HD11 ILE A 34 -8.411 39.532 21.712 1.00 23.50 H new ATOM 0 HD12 ILE A 34 -7.969 38.566 23.139 1.00 23.50 H new ATOM 0 HD13 ILE A 34 -6.697 39.277 22.117 1.00 23.50 H new ATOM 541 N ASN A 35 -7.117 34.301 19.531 1.00 64.10 N ATOM 542 CA ASN A 35 -7.554 33.962 18.182 1.00 41.25 C ATOM 543 C ASN A 35 -6.659 32.887 17.573 1.00 23.24 C ATOM 544 O ASN A 35 -6.583 32.744 16.352 1.00 3.23 O ATOM 545 CB ASN A 35 -7.549 35.208 17.294 1.00 43.25 C ATOM 546 CG ASN A 35 -8.771 36.079 17.512 1.00 2.00 C ATOM 547 OD1 ASN A 35 -9.906 35.613 17.409 1.00 25.45 O ATOM 548 ND2 ASN A 35 -8.544 37.352 17.815 1.00 64.12 N ATOM 0 H ASN A 35 -6.134 34.103 19.718 1.00 64.10 H new ATOM 0 HA ASN A 35 -8.570 33.571 18.244 1.00 41.25 H new ATOM 0 HB2 ASN A 35 -6.650 35.791 17.496 1.00 43.25 H new ATOM 0 HB3 ASN A 35 -7.504 34.905 16.248 1.00 43.25 H new ATOM 0 HD21 ASN A 35 -9.327 37.986 17.973 1.00 64.12 H new ATOM 0 HD22 ASN A 35 -7.587 37.695 17.890 1.00 64.12 H new ATOM 555 N LEU A 36 -5.983 32.132 18.433 1.00 40.13 N ATOM 556 CA LEU A 36 -5.093 31.068 17.981 1.00 2.20 C ATOM 557 C LEU A 36 -5.825 30.101 17.056 1.00 14.24 C ATOM 558 O LEU A 36 -5.257 29.604 16.085 1.00 5.53 O ATOM 559 CB LEU A 36 -4.522 30.311 19.181 1.00 65.42 C ATOM 560 CG LEU A 36 -3.740 29.036 18.860 1.00 52.03 C ATOM 561 CD1 LEU A 36 -2.287 29.180 19.283 1.00 45.23 C ATOM 562 CD2 LEU A 36 -4.379 27.834 19.540 1.00 63.45 C ATOM 0 H LEU A 36 -6.034 32.237 19.446 1.00 40.13 H new ATOM 0 HA LEU A 36 -4.275 31.524 17.424 1.00 2.20 H new ATOM 0 HB2 LEU A 36 -3.867 30.986 19.733 1.00 65.42 H new ATOM 0 HB3 LEU A 36 -5.345 30.051 19.846 1.00 65.42 H new ATOM 0 HG LEU A 36 -3.768 28.877 17.782 1.00 52.03 H new ATOM 0 HD11 LEU A 36 -1.747 28.263 19.047 1.00 45.23 H new ATOM 0 HD12 LEU A 36 -1.834 30.016 18.750 1.00 45.23 H new ATOM 0 HD13 LEU A 36 -2.237 29.364 20.356 1.00 45.23 H new ATOM 0 HD21 LEU A 36 -3.810 26.936 19.301 1.00 63.45 H new ATOM 0 HD22 LEU A 36 -4.382 27.985 20.619 1.00 63.45 H new ATOM 0 HD23 LEU A 36 -5.404 27.719 19.187 1.00 63.45 H new ATOM 574 N ASN A 37 -7.092 29.840 17.365 1.00 43.44 N ATOM 575 CA ASN A 37 -7.903 28.934 16.560 1.00 10.12 C ATOM 576 C ASN A 37 -7.863 29.330 15.087 1.00 11.34 C ATOM 577 O ASN A 37 -7.649 28.490 14.213 1.00 35.24 O ATOM 578 CB ASN A 37 -9.349 28.931 17.060 1.00 31.10 C ATOM 579 CG ASN A 37 -10.049 27.612 16.797 1.00 61.42 C ATOM 580 OD1 ASN A 37 -10.047 27.109 15.673 1.00 33.30 O ATOM 581 ND2 ASN A 37 -10.652 27.044 17.835 1.00 10.41 N ATOM 0 H ASN A 37 -7.578 30.243 18.166 1.00 43.44 H new ATOM 0 HA ASN A 37 -7.489 27.931 16.659 1.00 10.12 H new ATOM 0 HB2 ASN A 37 -9.361 29.138 18.130 1.00 31.10 H new ATOM 0 HB3 ASN A 37 -9.901 29.735 16.573 1.00 31.10 H new ATOM 0 HD21 ASN A 37 -11.139 26.155 17.718 1.00 10.41 H new ATOM 0 HD22 ASN A 37 -10.628 27.496 18.749 1.00 10.41 H new ATOM 588 N ASP A 38 -8.070 30.615 14.820 1.00 4.14 N ATOM 589 CA ASP A 38 -8.056 31.124 13.454 1.00 64.12 C ATOM 590 C ASP A 38 -6.634 31.161 12.902 1.00 2.02 C ATOM 591 O ASP A 38 -6.419 31.022 11.698 1.00 71.34 O ATOM 592 CB ASP A 38 -8.673 32.522 13.401 1.00 10.22 C ATOM 593 CG ASP A 38 -9.641 32.685 12.245 1.00 25.23 C ATOM 594 OD1 ASP A 38 -10.863 32.737 12.497 1.00 22.21 O ATOM 595 OD2 ASP A 38 -9.175 32.761 11.089 1.00 34.11 O ATOM 0 H ASP A 38 -8.249 31.323 15.532 1.00 4.14 H new ATOM 0 HA ASP A 38 -8.649 30.450 12.836 1.00 64.12 H new ATOM 0 HB2 ASP A 38 -9.193 32.722 14.338 1.00 10.22 H new ATOM 0 HB3 ASP A 38 -7.879 33.263 13.313 1.00 10.22 H new ATOM 600 N THR A 39 -5.664 31.351 13.792 1.00 71.03 N ATOM 601 CA THR A 39 -4.263 31.409 13.394 1.00 31.14 C ATOM 602 C THR A 39 -3.764 30.043 12.937 1.00 33.12 C ATOM 603 O THR A 39 -3.351 29.874 11.790 1.00 70.12 O ATOM 604 CB THR A 39 -3.372 31.909 14.547 1.00 33.55 C ATOM 605 OG1 THR A 39 -4.147 32.693 15.461 1.00 54.34 O ATOM 606 CG2 THR A 39 -2.213 32.738 14.016 1.00 71.34 C ATOM 0 H THR A 39 -5.823 31.467 14.793 1.00 71.03 H new ATOM 0 HA THR A 39 -4.199 32.112 12.564 1.00 31.14 H new ATOM 0 HB THR A 39 -2.968 31.040 15.067 1.00 33.55 H new ATOM 0 HG1 THR A 39 -3.550 33.136 16.100 1.00 54.34 H new ATOM 0 HG21 THR A 39 -1.598 33.080 14.849 1.00 71.34 H new ATOM 0 HG22 THR A 39 -1.608 32.129 13.344 1.00 71.34 H new ATOM 0 HG23 THR A 39 -2.601 33.600 13.474 1.00 71.34 H new ATOM 614 N PHE A 40 -3.806 29.070 13.841 1.00 30.14 N ATOM 615 CA PHE A 40 -3.358 27.718 13.530 1.00 23.45 C ATOM 616 C PHE A 40 -4.030 27.200 12.263 1.00 74.44 C ATOM 617 O PHE A 40 -3.388 26.579 11.416 1.00 71.35 O ATOM 618 CB PHE A 40 -3.656 26.777 14.700 1.00 4.21 C ATOM 619 CG PHE A 40 -2.833 25.520 14.683 1.00 13.43 C ATOM 620 CD1 PHE A 40 -1.468 25.573 14.455 1.00 3.32 C ATOM 621 CD2 PHE A 40 -3.426 24.286 14.895 1.00 10.11 C ATOM 622 CE1 PHE A 40 -0.708 24.419 14.439 1.00 21.34 C ATOM 623 CE2 PHE A 40 -2.671 23.128 14.881 1.00 54.31 C ATOM 624 CZ PHE A 40 -1.311 23.195 14.652 1.00 61.54 C ATOM 0 H PHE A 40 -4.146 29.193 14.795 1.00 30.14 H new ATOM 0 HA PHE A 40 -2.281 27.749 13.362 1.00 23.45 H new ATOM 0 HB2 PHE A 40 -3.477 27.306 15.636 1.00 4.21 H new ATOM 0 HB3 PHE A 40 -4.713 26.510 14.681 1.00 4.21 H new ATOM 0 HD1 PHE A 40 -0.992 26.528 14.288 1.00 3.32 H new ATOM 0 HD2 PHE A 40 -4.490 24.228 15.073 1.00 10.11 H new ATOM 0 HE1 PHE A 40 0.356 24.474 14.260 1.00 21.34 H new ATOM 0 HE2 PHE A 40 -3.144 22.172 15.049 1.00 54.31 H new ATOM 0 HZ PHE A 40 -0.720 22.291 14.639 1.00 61.54 H new ATOM 634 N ASP A 41 -5.327 27.459 12.140 1.00 15.02 N ATOM 635 CA ASP A 41 -6.089 27.020 10.976 1.00 5.13 C ATOM 636 C ASP A 41 -5.483 27.574 9.690 1.00 2.15 C ATOM 637 O ASP A 41 -5.031 26.820 8.828 1.00 32.31 O ATOM 638 CB ASP A 41 -7.548 27.461 11.099 1.00 41.14 C ATOM 639 CG ASP A 41 -8.503 26.497 10.422 1.00 44.32 C ATOM 640 OD1 ASP A 41 -9.081 25.643 11.125 1.00 32.43 O ATOM 641 OD2 ASP A 41 -8.672 26.598 9.189 1.00 41.21 O ATOM 0 H ASP A 41 -5.873 27.971 12.832 1.00 15.02 H new ATOM 0 HA ASP A 41 -6.049 25.931 10.935 1.00 5.13 H new ATOM 0 HB2 ASP A 41 -7.811 27.548 12.153 1.00 41.14 H new ATOM 0 HB3 ASP A 41 -7.664 28.452 10.659 1.00 41.14 H new ATOM 646 N THR A 42 -5.477 28.898 9.567 1.00 31.12 N ATOM 647 CA THR A 42 -4.929 29.553 8.386 1.00 14.23 C ATOM 648 C THR A 42 -3.467 29.176 8.177 1.00 54.24 C ATOM 649 O THR A 42 -2.951 29.249 7.061 1.00 21.13 O ATOM 650 CB THR A 42 -5.043 31.086 8.491 1.00 24.21 C ATOM 651 OG1 THR A 42 -5.309 31.647 7.201 1.00 73.32 O ATOM 652 CG2 THR A 42 -3.764 31.686 9.056 1.00 62.41 C ATOM 0 H THR A 42 -5.846 29.537 10.271 1.00 31.12 H new ATOM 0 HA THR A 42 -5.515 29.210 7.533 1.00 14.23 H new ATOM 0 HB THR A 42 -5.866 31.322 9.166 1.00 24.21 H new ATOM 0 HG1 THR A 42 -5.382 32.621 7.277 1.00 73.32 H new ATOM 0 HG21 THR A 42 -3.868 32.769 9.121 1.00 62.41 H new ATOM 0 HG22 THR A 42 -3.579 31.279 10.050 1.00 62.41 H new ATOM 0 HG23 THR A 42 -2.927 31.440 8.402 1.00 62.41 H new ATOM 660 N PHE A 43 -2.805 28.772 9.255 1.00 3.44 N ATOM 661 CA PHE A 43 -1.401 28.384 9.189 1.00 23.22 C ATOM 662 C PHE A 43 -1.247 27.008 8.548 1.00 20.54 C ATOM 663 O PHE A 43 -0.506 26.841 7.580 1.00 53.32 O ATOM 664 CB PHE A 43 -0.785 28.378 10.590 1.00 45.43 C ATOM 665 CG PHE A 43 0.717 28.334 10.584 1.00 52.11 C ATOM 666 CD1 PHE A 43 1.403 27.529 11.478 1.00 32.54 C ATOM 667 CD2 PHE A 43 1.442 29.098 9.684 1.00 1.52 C ATOM 668 CE1 PHE A 43 2.784 27.485 11.476 1.00 43.15 C ATOM 669 CE2 PHE A 43 2.824 29.059 9.676 1.00 34.23 C ATOM 670 CZ PHE A 43 3.496 28.252 10.574 1.00 54.22 C ATOM 0 H PHE A 43 -3.218 28.705 10.185 1.00 3.44 H new ATOM 0 HA PHE A 43 -0.877 29.114 8.572 1.00 23.22 H new ATOM 0 HB2 PHE A 43 -1.112 29.269 11.126 1.00 45.43 H new ATOM 0 HB3 PHE A 43 -1.164 27.517 11.141 1.00 45.43 H new ATOM 0 HD1 PHE A 43 0.851 26.928 12.186 1.00 32.54 H new ATOM 0 HD2 PHE A 43 0.922 29.731 8.981 1.00 1.52 H new ATOM 0 HE1 PHE A 43 3.306 26.852 12.178 1.00 43.15 H new ATOM 0 HE2 PHE A 43 3.378 29.659 8.969 1.00 34.23 H new ATOM 0 HZ PHE A 43 4.576 28.221 10.571 1.00 54.22 H new ATOM 680 N ALA A 44 -1.952 26.024 9.097 1.00 31.23 N ATOM 681 CA ALA A 44 -1.896 24.662 8.579 1.00 2.44 C ATOM 682 C ALA A 44 -2.549 24.571 7.205 1.00 74.43 C ATOM 683 O ALA A 44 -1.987 23.989 6.276 1.00 2.00 O ATOM 684 CB ALA A 44 -2.565 23.701 9.550 1.00 74.53 C ATOM 0 H ALA A 44 -2.569 26.145 9.900 1.00 31.23 H new ATOM 0 HA ALA A 44 -0.848 24.382 8.473 1.00 2.44 H new ATOM 0 HB1 ALA A 44 -2.516 22.688 9.151 1.00 74.53 H new ATOM 0 HB2 ALA A 44 -2.051 23.738 10.511 1.00 74.53 H new ATOM 0 HB3 ALA A 44 -3.608 23.988 9.685 1.00 74.53 H new ATOM 690 N LEU A 45 -3.740 25.147 7.081 1.00 22.12 N ATOM 691 CA LEU A 45 -4.471 25.130 5.819 1.00 31.40 C ATOM 692 C LEU A 45 -3.562 25.517 4.657 1.00 4.25 C ATOM 693 O LEU A 45 -3.378 24.746 3.715 1.00 32.05 O ATOM 694 CB LEU A 45 -5.666 26.082 5.886 1.00 1.30 C ATOM 695 CG LEU A 45 -6.102 26.706 4.560 1.00 52.12 C ATOM 696 CD1 LEU A 45 -6.396 25.624 3.532 1.00 12.32 C ATOM 697 CD2 LEU A 45 -7.320 27.596 4.764 1.00 60.51 C ATOM 0 H LEU A 45 -4.220 25.632 7.839 1.00 22.12 H new ATOM 0 HA LEU A 45 -4.832 24.115 5.651 1.00 31.40 H new ATOM 0 HB2 LEU A 45 -6.514 25.540 6.306 1.00 1.30 H new ATOM 0 HB3 LEU A 45 -5.426 26.886 6.581 1.00 1.30 H new ATOM 0 HG LEU A 45 -5.285 27.323 4.185 1.00 52.12 H new ATOM 0 HD11 LEU A 45 -6.705 26.087 2.595 1.00 12.32 H new ATOM 0 HD12 LEU A 45 -5.499 25.028 3.364 1.00 12.32 H new ATOM 0 HD13 LEU A 45 -7.195 24.981 3.900 1.00 12.32 H new ATOM 0 HD21 LEU A 45 -7.616 28.032 3.810 1.00 60.51 H new ATOM 0 HD22 LEU A 45 -8.142 27.002 5.162 1.00 60.51 H new ATOM 0 HD23 LEU A 45 -7.075 28.393 5.466 1.00 60.51 H new ATOM 709 N ASP A 46 -2.993 26.715 4.732 1.00 11.45 N ATOM 710 CA ASP A 46 -2.100 27.204 3.689 1.00 45.51 C ATOM 711 C ASP A 46 -1.041 26.160 3.346 1.00 13.44 C ATOM 712 O ASP A 46 -0.816 25.850 2.176 1.00 1.53 O ATOM 713 CB ASP A 46 -1.426 28.504 4.132 1.00 15.51 C ATOM 714 CG ASP A 46 -1.372 29.536 3.022 1.00 22.31 C ATOM 715 OD1 ASP A 46 -2.101 30.546 3.114 1.00 64.11 O ATOM 716 OD2 ASP A 46 -0.600 29.333 2.062 1.00 24.01 O ATOM 0 H ASP A 46 -3.135 27.365 5.505 1.00 11.45 H new ATOM 0 HA ASP A 46 -2.696 27.398 2.797 1.00 45.51 H new ATOM 0 HB2 ASP A 46 -1.966 28.918 4.983 1.00 15.51 H new ATOM 0 HB3 ASP A 46 -0.413 28.287 4.472 1.00 15.51 H new ATOM 721 N PHE A 47 -0.394 25.622 4.375 1.00 71.04 N ATOM 722 CA PHE A 47 0.642 24.614 4.183 1.00 42.15 C ATOM 723 C PHE A 47 0.100 23.418 3.404 1.00 5.54 C ATOM 724 O PHE A 47 0.682 23.001 2.403 1.00 31.21 O ATOM 725 CB PHE A 47 1.190 24.151 5.534 1.00 1.51 C ATOM 726 CG PHE A 47 2.562 24.681 5.838 1.00 43.41 C ATOM 727 CD1 PHE A 47 3.641 24.352 5.033 1.00 74.41 C ATOM 728 CD2 PHE A 47 2.774 25.509 6.929 1.00 52.12 C ATOM 729 CE1 PHE A 47 4.905 24.838 5.309 1.00 34.13 C ATOM 730 CE2 PHE A 47 4.035 25.999 7.210 1.00 63.31 C ATOM 731 CZ PHE A 47 5.102 25.662 6.400 1.00 22.30 C ATOM 0 H PHE A 47 -0.569 25.867 5.350 1.00 71.04 H new ATOM 0 HA PHE A 47 1.450 25.065 3.607 1.00 42.15 H new ATOM 0 HB2 PHE A 47 0.505 24.465 6.322 1.00 1.51 H new ATOM 0 HB3 PHE A 47 1.218 23.062 5.552 1.00 1.51 H new ATOM 0 HD1 PHE A 47 3.492 23.708 4.179 1.00 74.41 H new ATOM 0 HD2 PHE A 47 1.944 25.774 7.567 1.00 52.12 H new ATOM 0 HE1 PHE A 47 5.737 24.574 4.673 1.00 34.13 H new ATOM 0 HE2 PHE A 47 4.186 26.645 8.062 1.00 63.31 H new ATOM 0 HZ PHE A 47 6.089 26.042 6.619 1.00 22.30 H new ATOM 741 N SER A 48 -1.017 22.872 3.873 1.00 1.12 N ATOM 742 CA SER A 48 -1.636 21.722 3.225 1.00 64.31 C ATOM 743 C SER A 48 -1.840 21.982 1.736 1.00 44.25 C ATOM 744 O SER A 48 -1.537 21.132 0.898 1.00 24.14 O ATOM 745 CB SER A 48 -2.977 21.397 3.886 1.00 42.41 C ATOM 746 OG SER A 48 -3.311 20.031 3.718 1.00 61.43 O ATOM 0 H SER A 48 -1.512 23.207 4.699 1.00 1.12 H new ATOM 0 HA SER A 48 -0.967 20.869 3.339 1.00 64.31 H new ATOM 0 HB2 SER A 48 -2.929 21.635 4.949 1.00 42.41 H new ATOM 0 HB3 SER A 48 -3.759 22.021 3.455 1.00 42.41 H new ATOM 0 HG SER A 48 -4.171 19.849 4.151 1.00 61.43 H new ATOM 752 N ARG A 49 -2.355 23.164 1.413 1.00 33.21 N ATOM 753 CA ARG A 49 -2.601 23.537 0.025 1.00 15.04 C ATOM 754 C ARG A 49 -1.394 23.209 -0.848 1.00 72.22 C ATOM 755 O ARG A 49 -1.541 22.705 -1.961 1.00 42.54 O ATOM 756 CB ARG A 49 -2.926 25.029 -0.074 1.00 21.31 C ATOM 757 CG ARG A 49 -4.258 25.319 -0.745 1.00 72.25 C ATOM 758 CD ARG A 49 -4.067 26.008 -2.088 1.00 32.24 C ATOM 759 NE ARG A 49 -5.169 26.915 -2.399 1.00 5.02 N ATOM 760 CZ ARG A 49 -6.377 26.505 -2.768 1.00 64.44 C ATOM 761 NH1 ARG A 49 -6.637 25.209 -2.872 1.00 33.21 N ATOM 762 NH2 ARG A 49 -7.327 27.391 -3.035 1.00 12.32 N ATOM 0 H ARG A 49 -2.610 23.880 2.094 1.00 33.21 H new ATOM 0 HA ARG A 49 -3.454 22.962 -0.334 1.00 15.04 H new ATOM 0 HB2 ARG A 49 -2.933 25.458 0.928 1.00 21.31 H new ATOM 0 HB3 ARG A 49 -2.133 25.529 -0.630 1.00 21.31 H new ATOM 0 HG2 ARG A 49 -4.805 24.387 -0.887 1.00 72.25 H new ATOM 0 HG3 ARG A 49 -4.865 25.949 -0.095 1.00 72.25 H new ATOM 0 HD2 ARG A 49 -3.130 26.565 -2.080 1.00 32.24 H new ATOM 0 HD3 ARG A 49 -3.984 25.256 -2.873 1.00 32.24 H new ATOM 0 HE ARG A 49 -5.001 27.919 -2.329 1.00 5.02 H new ATOM 0 HH11 ARG A 49 -5.908 24.525 -2.668 1.00 33.21 H new ATOM 0 HH12 ARG A 49 -7.566 24.896 -3.156 1.00 33.21 H new ATOM 0 HH21 ARG A 49 -7.130 28.389 -2.957 1.00 12.32 H new ATOM 0 HH22 ARG A 49 -8.254 27.075 -3.318 1.00 12.32 H new ATOM 776 N GLU A 50 -0.203 23.498 -0.335 1.00 5.21 N ATOM 777 CA GLU A 50 1.029 23.235 -1.070 1.00 22.24 C ATOM 778 C GLU A 50 1.412 21.760 -0.979 1.00 51.31 C ATOM 779 O GLU A 50 2.016 21.206 -1.898 1.00 2.14 O ATOM 780 CB GLU A 50 2.167 24.102 -0.529 1.00 4.55 C ATOM 781 CG GLU A 50 3.146 24.559 -1.598 1.00 22.54 C ATOM 782 CD GLU A 50 4.528 24.843 -1.041 1.00 15.23 C ATOM 783 OE1 GLU A 50 4.618 25.531 -0.002 1.00 74.10 O ATOM 784 OE2 GLU A 50 5.518 24.379 -1.643 1.00 11.01 O ATOM 0 H GLU A 50 -0.065 23.914 0.586 1.00 5.21 H new ATOM 0 HA GLU A 50 0.858 23.485 -2.117 1.00 22.24 H new ATOM 0 HB2 GLU A 50 1.743 24.978 -0.038 1.00 4.55 H new ATOM 0 HB3 GLU A 50 2.709 23.541 0.232 1.00 4.55 H new ATOM 0 HG2 GLU A 50 3.220 23.792 -2.369 1.00 22.54 H new ATOM 0 HG3 GLU A 50 2.760 25.458 -2.078 1.00 22.54 H new ATOM 791 N LYS A 51 1.056 21.130 0.135 1.00 1.22 N ATOM 792 CA LYS A 51 1.360 19.720 0.348 1.00 43.11 C ATOM 793 C LYS A 51 0.703 18.854 -0.722 1.00 50.30 C ATOM 794 O LYS A 51 1.208 17.786 -1.068 1.00 31.13 O ATOM 795 CB LYS A 51 0.890 19.279 1.736 1.00 52.41 C ATOM 796 CG LYS A 51 -0.481 18.625 1.734 1.00 63.30 C ATOM 797 CD LYS A 51 -0.379 17.119 1.552 1.00 14.53 C ATOM 798 CE LYS A 51 -1.695 16.526 1.072 1.00 11.31 C ATOM 799 NZ LYS A 51 -1.648 15.039 1.025 1.00 73.40 N ATOM 0 H LYS A 51 0.556 21.574 0.905 1.00 1.22 H new ATOM 0 HA LYS A 51 2.440 19.593 0.280 1.00 43.11 H new ATOM 0 HB2 LYS A 51 1.616 18.580 2.151 1.00 52.41 H new ATOM 0 HB3 LYS A 51 0.869 20.146 2.396 1.00 52.41 H new ATOM 0 HG2 LYS A 51 -0.992 18.846 2.671 1.00 63.30 H new ATOM 0 HG3 LYS A 51 -1.087 19.049 0.933 1.00 63.30 H new ATOM 0 HD2 LYS A 51 0.408 16.891 0.833 1.00 14.53 H new ATOM 0 HD3 LYS A 51 -0.093 16.656 2.496 1.00 14.53 H new ATOM 0 HE2 LYS A 51 -2.500 16.843 1.735 1.00 11.31 H new ATOM 0 HE3 LYS A 51 -1.928 16.914 0.080 1.00 11.31 H new ATOM 0 HZ1 LYS A 51 -2.563 14.673 0.693 1.00 73.40 H new ATOM 0 HZ2 LYS A 51 -0.897 14.736 0.373 1.00 73.40 H new ATOM 0 HZ3 LYS A 51 -1.451 14.668 1.976 1.00 73.40 H new ATOM 813 N LYS A 52 -0.426 19.322 -1.244 1.00 44.34 N ATOM 814 CA LYS A 52 -1.151 18.593 -2.277 1.00 74.24 C ATOM 815 C LYS A 52 -0.544 18.848 -3.653 1.00 4.42 C ATOM 816 O LYS A 52 -0.202 17.911 -4.376 1.00 3.44 O ATOM 817 CB LYS A 52 -2.627 18.999 -2.277 1.00 2.35 C ATOM 818 CG LYS A 52 -3.426 18.390 -3.415 1.00 72.21 C ATOM 819 CD LYS A 52 -3.580 16.887 -3.247 1.00 2.51 C ATOM 820 CE LYS A 52 -4.799 16.543 -2.406 1.00 31.45 C ATOM 821 NZ LYS A 52 -5.336 15.193 -2.734 1.00 52.23 N ATOM 0 H LYS A 52 -0.859 20.204 -0.968 1.00 44.34 H new ATOM 0 HA LYS A 52 -1.072 17.528 -2.056 1.00 74.24 H new ATOM 0 HB2 LYS A 52 -3.077 18.702 -1.329 1.00 2.35 H new ATOM 0 HB3 LYS A 52 -2.696 20.085 -2.336 1.00 2.35 H new ATOM 0 HG2 LYS A 52 -4.411 18.855 -3.459 1.00 72.21 H new ATOM 0 HG3 LYS A 52 -2.931 18.602 -4.363 1.00 72.21 H new ATOM 0 HD2 LYS A 52 -3.668 16.417 -4.227 1.00 2.51 H new ATOM 0 HD3 LYS A 52 -2.685 16.479 -2.777 1.00 2.51 H new ATOM 0 HE2 LYS A 52 -4.534 16.582 -1.349 1.00 31.45 H new ATOM 0 HE3 LYS A 52 -5.575 17.292 -2.568 1.00 31.45 H new ATOM 0 HZ1 LYS A 52 -6.166 14.996 -2.140 1.00 52.23 H new ATOM 0 HZ2 LYS A 52 -5.613 15.164 -3.736 1.00 52.23 H new ATOM 0 HZ3 LYS A 52 -4.604 14.476 -2.556 1.00 52.23 H new ATOM 835 N LEU A 53 -0.410 20.121 -4.008 1.00 52.43 N ATOM 836 CA LEU A 53 0.158 20.500 -5.297 1.00 44.32 C ATOM 837 C LEU A 53 1.502 19.815 -5.522 1.00 62.43 C ATOM 838 O LEU A 53 1.901 19.565 -6.661 1.00 30.24 O ATOM 839 CB LEU A 53 0.328 22.019 -5.375 1.00 61.54 C ATOM 840 CG LEU A 53 0.361 22.619 -6.781 1.00 73.34 C ATOM 841 CD1 LEU A 53 -0.783 23.604 -6.968 1.00 23.11 C ATOM 842 CD2 LEU A 53 1.698 23.296 -7.041 1.00 64.14 C ATOM 0 H LEU A 53 -0.687 20.908 -3.421 1.00 52.43 H new ATOM 0 HA LEU A 53 -0.530 20.177 -6.078 1.00 44.32 H new ATOM 0 HB2 LEU A 53 -0.488 22.485 -4.822 1.00 61.54 H new ATOM 0 HB3 LEU A 53 1.253 22.288 -4.865 1.00 61.54 H new ATOM 0 HG LEU A 53 0.239 21.811 -7.503 1.00 73.34 H new ATOM 0 HD11 LEU A 53 -0.743 24.021 -7.974 1.00 23.11 H new ATOM 0 HD12 LEU A 53 -1.733 23.089 -6.826 1.00 23.11 H new ATOM 0 HD13 LEU A 53 -0.693 24.409 -6.238 1.00 23.11 H new ATOM 0 HD21 LEU A 53 1.703 23.717 -8.046 1.00 64.14 H new ATOM 0 HD22 LEU A 53 1.850 24.093 -6.313 1.00 64.14 H new ATOM 0 HD23 LEU A 53 2.500 22.564 -6.950 1.00 64.14 H new ATOM 854 N LEU A 54 2.196 19.511 -4.431 1.00 35.14 N ATOM 855 CA LEU A 54 3.494 18.851 -4.508 1.00 44.31 C ATOM 856 C LEU A 54 3.337 17.380 -4.879 1.00 12.12 C ATOM 857 O LEU A 54 3.862 16.927 -5.895 1.00 22.00 O ATOM 858 CB LEU A 54 4.232 18.977 -3.174 1.00 65.31 C ATOM 859 CG LEU A 54 5.589 18.276 -3.089 1.00 33.51 C ATOM 860 CD1 LEU A 54 5.410 16.809 -2.728 1.00 13.11 C ATOM 861 CD2 LEU A 54 6.345 18.415 -4.402 1.00 74.13 C ATOM 0 H LEU A 54 1.881 19.711 -3.482 1.00 35.14 H new ATOM 0 HA LEU A 54 4.078 19.342 -5.287 1.00 44.31 H new ATOM 0 HB2 LEU A 54 4.379 20.036 -2.961 1.00 65.31 H new ATOM 0 HB3 LEU A 54 3.590 18.580 -2.388 1.00 65.31 H new ATOM 0 HG LEU A 54 6.174 18.754 -2.304 1.00 33.51 H new ATOM 0 HD11 LEU A 54 6.386 16.326 -2.672 1.00 13.11 H new ATOM 0 HD12 LEU A 54 4.910 16.730 -1.763 1.00 13.11 H new ATOM 0 HD13 LEU A 54 4.806 16.318 -3.491 1.00 13.11 H new ATOM 0 HD21 LEU A 54 7.308 17.910 -4.323 1.00 74.13 H new ATOM 0 HD22 LEU A 54 5.764 17.964 -5.206 1.00 74.13 H new ATOM 0 HD23 LEU A 54 6.506 19.471 -4.619 1.00 74.13 H new ATOM 873 N GLU A 55 2.608 16.641 -4.048 1.00 61.44 N ATOM 874 CA GLU A 55 2.381 15.221 -4.291 1.00 35.24 C ATOM 875 C GLU A 55 1.591 15.008 -5.579 1.00 41.42 C ATOM 876 O GLU A 55 2.084 14.397 -6.528 1.00 40.31 O ATOM 877 CB GLU A 55 1.633 14.593 -3.112 1.00 41.13 C ATOM 878 CG GLU A 55 1.968 13.128 -2.890 1.00 75.45 C ATOM 879 CD GLU A 55 0.743 12.292 -2.571 1.00 24.33 C ATOM 880 OE1 GLU A 55 0.596 11.881 -1.401 1.00 35.14 O ATOM 881 OE2 GLU A 55 -0.066 12.048 -3.490 1.00 11.33 O ATOM 0 H GLU A 55 2.165 17.001 -3.203 1.00 61.44 H new ATOM 0 HA GLU A 55 3.352 14.737 -4.397 1.00 35.24 H new ATOM 0 HB2 GLU A 55 1.866 15.152 -2.206 1.00 41.13 H new ATOM 0 HB3 GLU A 55 0.560 14.690 -3.280 1.00 41.13 H new ATOM 0 HG2 GLU A 55 2.452 12.731 -3.782 1.00 75.45 H new ATOM 0 HG3 GLU A 55 2.685 13.043 -2.073 1.00 75.45 H new ATOM 888 N CYS A 56 0.364 15.516 -5.604 1.00 50.34 N ATOM 889 CA CYS A 56 -0.495 15.382 -6.775 1.00 73.44 C ATOM 890 C CYS A 56 -0.211 16.486 -7.788 1.00 54.11 C ATOM 891 O CYS A 56 0.749 17.243 -7.644 1.00 43.50 O ATOM 892 CB CYS A 56 -1.967 15.419 -6.361 1.00 0.01 C ATOM 893 SG CYS A 56 -2.982 14.134 -7.126 1.00 75.34 S ATOM 0 H CYS A 56 -0.058 16.024 -4.827 1.00 50.34 H new ATOM 0 HA CYS A 56 -0.281 14.421 -7.243 1.00 73.44 H new ATOM 0 HB2 CYS A 56 -2.031 15.320 -5.277 1.00 0.01 H new ATOM 0 HB3 CYS A 56 -2.381 16.394 -6.617 1.00 0.01 H new ATOM 0 HG CYS A 56 -4.209 14.247 -6.712 1.00 75.34 H new ATOM 899 N LEU A 57 -1.052 16.572 -8.813 1.00 64.55 N ATOM 900 CA LEU A 57 -0.891 17.583 -9.852 1.00 64.25 C ATOM 901 C LEU A 57 -2.176 18.382 -10.038 1.00 52.32 C ATOM 902 O LEU A 57 -2.195 19.599 -9.852 1.00 2.14 O ATOM 903 CB LEU A 57 -0.490 16.925 -11.174 1.00 50.12 C ATOM 904 CG LEU A 57 0.711 17.541 -11.893 1.00 72.44 C ATOM 905 CD1 LEU A 57 0.487 19.026 -12.132 1.00 35.23 C ATOM 906 CD2 LEU A 57 1.985 17.313 -11.094 1.00 3.54 C ATOM 0 H LEU A 57 -1.852 15.954 -8.947 1.00 64.55 H new ATOM 0 HA LEU A 57 -0.102 18.267 -9.540 1.00 64.25 H new ATOM 0 HB2 LEU A 57 -0.274 15.874 -10.983 1.00 50.12 H new ATOM 0 HB3 LEU A 57 -1.347 16.957 -11.847 1.00 50.12 H new ATOM 0 HG LEU A 57 0.821 17.052 -12.861 1.00 72.44 H new ATOM 0 HD11 LEU A 57 1.352 19.447 -12.645 1.00 35.23 H new ATOM 0 HD12 LEU A 57 -0.402 19.166 -12.747 1.00 35.23 H new ATOM 0 HD13 LEU A 57 0.350 19.532 -11.176 1.00 35.23 H new ATOM 0 HD21 LEU A 57 2.829 17.758 -11.621 1.00 3.54 H new ATOM 0 HD22 LEU A 57 1.886 17.775 -10.112 1.00 3.54 H new ATOM 0 HD23 LEU A 57 2.154 16.243 -10.976 1.00 3.54 H new ATOM 918 N ASP A 58 -3.249 17.690 -10.405 1.00 13.25 N ATOM 919 CA ASP A 58 -4.541 18.335 -10.612 1.00 62.22 C ATOM 920 C ASP A 58 -5.344 18.373 -9.316 1.00 21.32 C ATOM 921 O ASP A 58 -5.181 17.515 -8.448 1.00 33.23 O ATOM 922 CB ASP A 58 -5.332 17.601 -11.696 1.00 55.40 C ATOM 923 CG ASP A 58 -4.485 17.272 -12.909 1.00 51.12 C ATOM 924 OD1 ASP A 58 -3.653 16.345 -12.818 1.00 72.24 O ATOM 925 OD2 ASP A 58 -4.654 17.941 -13.950 1.00 13.12 O ATOM 0 H ASP A 58 -3.250 16.683 -10.565 1.00 13.25 H new ATOM 0 HA ASP A 58 -4.360 19.360 -10.935 1.00 62.22 H new ATOM 0 HB2 ASP A 58 -5.741 16.680 -11.282 1.00 55.40 H new ATOM 0 HB3 ASP A 58 -6.178 18.216 -12.003 1.00 55.40 H new ATOM 930 N TYR A 59 -6.210 19.372 -9.191 1.00 44.44 N ATOM 931 CA TYR A 59 -7.036 19.524 -7.999 1.00 44.35 C ATOM 932 C TYR A 59 -8.114 20.581 -8.215 1.00 55.24 C ATOM 933 O TYR A 59 -8.535 21.257 -7.276 1.00 0.54 O ATOM 934 CB TYR A 59 -6.169 19.903 -6.797 1.00 63.54 C ATOM 935 CG TYR A 59 -5.540 21.273 -6.912 1.00 21.24 C ATOM 936 CD1 TYR A 59 -5.985 22.330 -6.127 1.00 43.23 C ATOM 937 CD2 TYR A 59 -4.502 21.511 -7.804 1.00 70.40 C ATOM 938 CE1 TYR A 59 -5.414 23.584 -6.229 1.00 2.24 C ATOM 939 CE2 TYR A 59 -3.924 22.761 -7.911 1.00 32.21 C ATOM 940 CZ TYR A 59 -4.384 23.794 -7.121 1.00 44.34 C ATOM 941 OH TYR A 59 -3.812 25.041 -7.226 1.00 4.50 O ATOM 0 H TYR A 59 -6.358 20.089 -9.901 1.00 44.44 H new ATOM 0 HA TYR A 59 -7.523 18.569 -7.801 1.00 44.35 H new ATOM 0 HB2 TYR A 59 -6.779 19.867 -5.894 1.00 63.54 H new ATOM 0 HB3 TYR A 59 -5.381 19.159 -6.679 1.00 63.54 H new ATOM 0 HD1 TYR A 59 -6.790 22.169 -5.426 1.00 43.23 H new ATOM 0 HD2 TYR A 59 -4.141 20.705 -8.425 1.00 70.40 H new ATOM 0 HE1 TYR A 59 -5.773 24.395 -5.613 1.00 2.24 H new ATOM 0 HE2 TYR A 59 -3.117 22.929 -8.609 1.00 32.21 H new ATOM 0 HH TYR A 59 -3.100 25.019 -7.899 1.00 4.50 H new ATOM 951 N LEU A 60 -8.559 20.718 -9.460 1.00 20.53 N ATOM 952 CA LEU A 60 -9.590 21.691 -9.802 1.00 10.45 C ATOM 953 C LEU A 60 -10.793 21.008 -10.443 1.00 34.11 C ATOM 954 O LEU A 60 -11.483 20.214 -9.803 1.00 60.14 O ATOM 955 CB LEU A 60 -9.025 22.750 -10.750 1.00 1.10 C ATOM 956 CG LEU A 60 -9.602 24.159 -10.604 1.00 71.41 C ATOM 957 CD1 LEU A 60 -8.555 25.204 -10.956 1.00 22.32 C ATOM 958 CD2 LEU A 60 -10.836 24.322 -11.479 1.00 14.40 C ATOM 0 H LEU A 60 -8.221 20.167 -10.249 1.00 20.53 H new ATOM 0 HA LEU A 60 -9.918 22.174 -8.882 1.00 10.45 H new ATOM 0 HB2 LEU A 60 -7.947 22.804 -10.601 1.00 1.10 H new ATOM 0 HB3 LEU A 60 -9.189 22.416 -11.775 1.00 1.10 H new ATOM 0 HG LEU A 60 -9.896 24.305 -9.564 1.00 71.41 H new ATOM 0 HD11 LEU A 60 -8.984 26.200 -10.846 1.00 22.32 H new ATOM 0 HD12 LEU A 60 -7.700 25.102 -10.288 1.00 22.32 H new ATOM 0 HD13 LEU A 60 -8.230 25.061 -11.986 1.00 22.32 H new ATOM 0 HD21 LEU A 60 -11.234 25.330 -11.363 1.00 14.40 H new ATOM 0 HD22 LEU A 60 -10.567 24.156 -12.522 1.00 14.40 H new ATOM 0 HD23 LEU A 60 -11.593 23.597 -11.180 1.00 14.40 H new TER 970 LEU A 60