USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 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+ -160:sc= -0.113 (180deg=-0.952) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.0426 X(o=0.043,f=-0.044) USER MOD Single : A 6 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 111:sc= 1.19 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.031) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -170:sc= 0 (180deg=-0.141) USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.361 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 84:sc= 0.996 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.048 X(o=-0.048,f=-0.12) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.126 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 5.259 3.285 1.422 1.00 24.23 N ATOM 2 CA LEU A 1 6.349 3.182 2.387 1.00 51.40 C ATOM 3 C LEU A 1 7.634 2.716 1.710 1.00 74.21 C ATOM 4 O LEU A 1 8.735 3.005 2.177 1.00 23.14 O ATOM 5 CB LEU A 1 5.972 2.216 3.511 1.00 13.34 C ATOM 6 CG LEU A 1 4.965 2.740 4.536 1.00 30.44 C ATOM 7 CD1 LEU A 1 3.550 2.339 4.148 1.00 63.12 C ATOM 8 CD2 LEU A 1 5.304 2.225 5.928 1.00 71.23 C ATOM 0 H1 LEU A 1 4.516 3.905 1.803 1.00 24.23 H new ATOM 0 H2 LEU A 1 5.620 3.683 0.532 1.00 24.23 H new ATOM 0 H3 LEU A 1 4.863 2.340 1.243 1.00 24.23 H new ATOM 0 HA LEU A 1 6.521 4.172 2.810 1.00 51.40 H new ATOM 0 HB2 LEU A 1 5.566 1.309 3.063 1.00 13.34 H new ATOM 0 HB3 LEU A 1 6.882 1.931 4.038 1.00 13.34 H new ATOM 0 HG LEU A 1 5.022 3.828 4.549 1.00 30.44 H new ATOM 0 HD11 LEU A 1 2.848 2.721 4.889 1.00 63.12 H new ATOM 0 HD12 LEU A 1 3.309 2.756 3.170 1.00 63.12 H new ATOM 0 HD13 LEU A 1 3.478 1.252 4.106 1.00 63.12 H new ATOM 0 HD21 LEU A 1 4.577 2.608 6.645 1.00 71.23 H new ATOM 0 HD22 LEU A 1 5.276 1.135 5.930 1.00 71.23 H new ATOM 0 HD23 LEU A 1 6.302 2.563 6.208 1.00 71.23 H new ATOM 20 N LYS A 2 7.485 1.994 0.604 1.00 21.03 N ATOM 21 CA LYS A 2 8.632 1.490 -0.141 1.00 25.32 C ATOM 22 C LYS A 2 8.437 1.688 -1.640 1.00 45.55 C ATOM 23 O LYS A 2 7.875 0.831 -2.321 1.00 13.52 O ATOM 24 CB LYS A 2 8.852 0.006 0.163 1.00 1.05 C ATOM 25 CG LYS A 2 9.372 -0.257 1.566 1.00 11.22 C ATOM 26 CD LYS A 2 8.999 -1.649 2.047 1.00 24.22 C ATOM 27 CE LYS A 2 9.285 -1.821 3.531 1.00 34.13 C ATOM 28 NZ LYS A 2 10.030 -3.080 3.811 1.00 52.32 N ATOM 0 H LYS A 2 6.580 1.745 0.204 1.00 21.03 H new ATOM 0 HA LYS A 2 9.511 2.053 0.171 1.00 25.32 H new ATOM 0 HB2 LYS A 2 7.911 -0.527 0.027 1.00 1.05 H new ATOM 0 HB3 LYS A 2 9.558 -0.404 -0.560 1.00 1.05 H new ATOM 0 HG2 LYS A 2 10.456 -0.144 1.580 1.00 11.22 H new ATOM 0 HG3 LYS A 2 8.965 0.487 2.251 1.00 11.22 H new ATOM 0 HD2 LYS A 2 7.941 -1.830 1.856 1.00 24.22 H new ATOM 0 HD3 LYS A 2 9.557 -2.393 1.479 1.00 24.22 H new ATOM 0 HE2 LYS A 2 9.863 -0.970 3.890 1.00 34.13 H new ATOM 0 HE3 LYS A 2 8.346 -1.825 4.084 1.00 34.13 H new ATOM 0 HZ1 LYS A 2 10.205 -3.160 4.833 1.00 52.32 H new ATOM 0 HZ2 LYS A 2 9.468 -3.894 3.491 1.00 52.32 H new ATOM 0 HZ3 LYS A 2 10.938 -3.066 3.304 1.00 52.32 H new ATOM 42 N GLU A 3 8.908 2.823 -2.149 1.00 13.44 N ATOM 43 CA GLU A 3 8.785 3.133 -3.568 1.00 73.22 C ATOM 44 C GLU A 3 9.810 4.183 -3.987 1.00 74.00 C ATOM 45 O GLU A 3 10.520 4.740 -3.151 1.00 61.33 O ATOM 46 CB GLU A 3 7.372 3.628 -3.884 1.00 40.35 C ATOM 47 CG GLU A 3 6.464 2.554 -4.459 1.00 22.33 C ATOM 48 CD GLU A 3 7.048 1.896 -5.694 1.00 52.11 C ATOM 49 OE1 GLU A 3 7.488 2.630 -6.604 1.00 25.32 O ATOM 50 OE2 GLU A 3 7.064 0.649 -5.752 1.00 33.13 O ATOM 0 H GLU A 3 9.378 3.542 -1.599 1.00 13.44 H new ATOM 0 HA GLU A 3 8.976 2.219 -4.131 1.00 73.22 H new ATOM 0 HB2 GLU A 3 6.922 4.022 -2.973 1.00 40.35 H new ATOM 0 HB3 GLU A 3 7.436 4.455 -4.591 1.00 40.35 H new ATOM 0 HG2 GLU A 3 6.280 1.794 -3.700 1.00 22.33 H new ATOM 0 HG3 GLU A 3 5.499 2.995 -4.709 1.00 22.33 H new ATOM 57 N ASN A 4 9.880 4.447 -5.288 1.00 15.33 N ATOM 58 CA ASN A 4 10.818 5.429 -5.819 1.00 11.54 C ATOM 59 C ASN A 4 10.079 6.556 -6.535 1.00 20.11 C ATOM 60 O ASN A 4 10.446 6.947 -7.643 1.00 25.11 O ATOM 61 CB ASN A 4 11.802 4.758 -6.779 1.00 11.30 C ATOM 62 CG ASN A 4 11.130 3.735 -7.674 1.00 33.35 C ATOM 63 OD1 ASN A 4 11.101 2.544 -7.361 1.00 12.42 O ATOM 64 ND2 ASN A 4 10.585 4.195 -8.794 1.00 1.12 N ATOM 0 H ASN A 4 9.298 3.995 -5.993 1.00 15.33 H new ATOM 0 HA ASN A 4 11.371 5.856 -4.982 1.00 11.54 H new ATOM 0 HB2 ASN A 4 12.279 5.519 -7.396 1.00 11.30 H new ATOM 0 HB3 ASN A 4 12.591 4.272 -6.205 1.00 11.30 H new ATOM 0 HD21 ASN A 4 10.119 3.553 -9.435 1.00 1.12 H new ATOM 0 HD22 ASN A 4 10.633 5.190 -9.013 1.00 1.12 H new ATOM 71 N ASP A 5 9.037 7.073 -5.894 1.00 53.32 N ATOM 72 CA ASP A 5 8.247 8.156 -6.469 1.00 13.14 C ATOM 73 C ASP A 5 7.132 8.579 -5.517 1.00 50.51 C ATOM 74 O ASP A 5 7.163 9.675 -4.956 1.00 41.32 O ATOM 75 CB ASP A 5 7.653 7.726 -7.811 1.00 14.12 C ATOM 76 CG ASP A 5 8.118 8.602 -8.957 1.00 51.32 C ATOM 77 OD1 ASP A 5 9.324 8.922 -9.009 1.00 23.34 O ATOM 78 OD2 ASP A 5 7.276 8.968 -9.804 1.00 32.15 O ATOM 0 H ASP A 5 8.720 6.760 -4.977 1.00 53.32 H new ATOM 0 HA ASP A 5 8.907 9.009 -6.630 1.00 13.14 H new ATOM 0 HB2 ASP A 5 7.930 6.691 -8.013 1.00 14.12 H new ATOM 0 HB3 ASP A 5 6.565 7.759 -7.751 1.00 14.12 H new ATOM 83 N HIS A 6 6.147 7.704 -5.341 1.00 2.25 N ATOM 84 CA HIS A 6 5.022 7.988 -4.457 1.00 72.51 C ATOM 85 C HIS A 6 5.447 7.913 -2.994 1.00 24.32 C ATOM 86 O HIS A 6 4.838 8.539 -2.127 1.00 44.45 O ATOM 87 CB HIS A 6 3.880 7.005 -4.719 1.00 63.42 C ATOM 88 CG HIS A 6 2.539 7.517 -4.293 1.00 21.22 C ATOM 89 ND1 HIS A 6 1.690 6.809 -3.468 1.00 63.45 N ATOM 90 CD2 HIS A 6 1.902 8.676 -4.580 1.00 31.01 C ATOM 91 CE1 HIS A 6 0.588 7.509 -3.268 1.00 43.25 C ATOM 92 NE2 HIS A 6 0.692 8.647 -3.932 1.00 33.24 N ATOM 0 H HIS A 6 6.105 6.793 -5.798 1.00 2.25 H new ATOM 0 HA HIS A 6 4.676 9.000 -4.665 1.00 72.51 H new ATOM 0 HB2 HIS A 6 3.849 6.772 -5.783 1.00 63.42 H new ATOM 0 HB3 HIS A 6 4.087 6.072 -4.194 1.00 63.42 H new ATOM 0 HD2 HIS A 6 2.276 9.475 -5.203 1.00 31.01 H new ATOM 0 HE1 HIS A 6 -0.254 7.204 -2.665 1.00 43.25 H new ATOM 0 HE2 HIS A 6 -0.012 9.384 -3.959 1.00 33.24 H new ATOM 100 N ALA A 7 6.496 7.141 -2.726 1.00 41.34 N ATOM 101 CA ALA A 7 7.004 6.986 -1.369 1.00 35.32 C ATOM 102 C ALA A 7 7.596 8.292 -0.851 1.00 71.01 C ATOM 103 O ALA A 7 7.331 8.699 0.280 1.00 12.40 O ATOM 104 CB ALA A 7 8.043 5.876 -1.318 1.00 20.21 C ATOM 0 H ALA A 7 7.010 6.613 -3.431 1.00 41.34 H new ATOM 0 HA ALA A 7 6.168 6.716 -0.724 1.00 35.32 H new ATOM 0 HB1 ALA A 7 8.414 5.771 -0.298 1.00 20.21 H new ATOM 0 HB2 ALA A 7 7.589 4.938 -1.637 1.00 20.21 H new ATOM 0 HB3 ALA A 7 8.872 6.122 -1.982 1.00 20.21 H new ATOM 110 N ARG A 8 8.399 8.944 -1.685 1.00 63.33 N ATOM 111 CA ARG A 8 9.031 10.203 -1.310 1.00 53.24 C ATOM 112 C ARG A 8 8.024 11.349 -1.352 1.00 3.41 C ATOM 113 O ARG A 8 8.177 12.349 -0.650 1.00 10.31 O ATOM 114 CB ARG A 8 10.205 10.507 -2.243 1.00 13.11 C ATOM 115 CG ARG A 8 9.830 10.502 -3.716 1.00 13.02 C ATOM 116 CD ARG A 8 10.895 11.179 -4.564 1.00 71.12 C ATOM 117 NE ARG A 8 10.326 11.829 -5.741 1.00 55.14 N ATOM 118 CZ ARG A 8 11.036 12.561 -6.592 1.00 52.32 C ATOM 119 NH1 ARG A 8 12.336 12.735 -6.398 1.00 13.24 N ATOM 120 NH2 ARG A 8 10.446 13.121 -7.641 1.00 11.12 N ATOM 0 H ARG A 8 8.627 8.621 -2.625 1.00 63.33 H new ATOM 0 HA ARG A 8 9.403 10.105 -0.290 1.00 53.24 H new ATOM 0 HB2 ARG A 8 10.619 11.482 -1.986 1.00 13.11 H new ATOM 0 HB3 ARG A 8 10.992 9.772 -2.075 1.00 13.11 H new ATOM 0 HG2 ARG A 8 9.693 9.475 -4.054 1.00 13.02 H new ATOM 0 HG3 ARG A 8 8.877 11.012 -3.852 1.00 13.02 H new ATOM 0 HD2 ARG A 8 11.423 11.918 -3.961 1.00 71.12 H new ATOM 0 HD3 ARG A 8 11.632 10.440 -4.879 1.00 71.12 H new ATOM 0 HE ARG A 8 9.328 11.715 -5.920 1.00 55.14 H new ATOM 0 HH11 ARG A 8 12.793 12.306 -5.594 1.00 13.24 H new ATOM 0 HH12 ARG A 8 12.879 13.298 -7.053 1.00 13.24 H new ATOM 0 HH21 ARG A 8 9.446 12.989 -7.794 1.00 11.12 H new ATOM 0 HH22 ARG A 8 10.992 13.683 -8.294 1.00 11.12 H new ATOM 134 N PHE A 9 6.996 11.197 -2.180 1.00 11.33 N ATOM 135 CA PHE A 9 5.965 12.220 -2.314 1.00 60.12 C ATOM 136 C PHE A 9 5.032 12.214 -1.107 1.00 31.31 C ATOM 137 O PHE A 9 4.627 13.268 -0.615 1.00 40.02 O ATOM 138 CB PHE A 9 5.160 11.997 -3.596 1.00 41.23 C ATOM 139 CG PHE A 9 5.503 12.963 -4.695 1.00 33.15 C ATOM 140 CD1 PHE A 9 6.816 13.349 -4.911 1.00 15.32 C ATOM 141 CD2 PHE A 9 4.512 13.485 -5.510 1.00 74.43 C ATOM 142 CE1 PHE A 9 7.134 14.237 -5.921 1.00 3.42 C ATOM 143 CE2 PHE A 9 4.824 14.373 -6.522 1.00 64.41 C ATOM 144 CZ PHE A 9 6.137 14.751 -6.727 1.00 21.52 C ATOM 0 H PHE A 9 6.854 10.376 -2.768 1.00 11.33 H new ATOM 0 HA PHE A 9 6.457 13.191 -2.366 1.00 60.12 H new ATOM 0 HB2 PHE A 9 5.330 10.980 -3.950 1.00 41.23 H new ATOM 0 HB3 PHE A 9 4.098 12.081 -3.368 1.00 41.23 H new ATOM 0 HD1 PHE A 9 7.600 12.951 -4.283 1.00 15.32 H new ATOM 0 HD2 PHE A 9 3.484 13.195 -5.353 1.00 74.43 H new ATOM 0 HE1 PHE A 9 8.162 14.529 -6.080 1.00 3.42 H new ATOM 0 HE2 PHE A 9 4.042 14.771 -7.152 1.00 64.41 H new ATOM 0 HZ PHE A 9 6.383 15.447 -7.516 1.00 21.52 H new ATOM 154 N LEU A 10 4.694 11.019 -0.634 1.00 51.14 N ATOM 155 CA LEU A 10 3.808 10.874 0.515 1.00 32.24 C ATOM 156 C LEU A 10 4.506 11.308 1.800 1.00 45.53 C ATOM 157 O LEU A 10 3.991 12.140 2.547 1.00 71.54 O ATOM 158 CB LEU A 10 3.338 9.423 0.642 1.00 4.54 C ATOM 159 CG LEU A 10 1.878 9.224 1.049 1.00 72.24 C ATOM 160 CD1 LEU A 10 1.364 7.882 0.550 1.00 53.31 C ATOM 161 CD2 LEU A 10 1.725 9.327 2.559 1.00 4.41 C ATOM 0 H LEU A 10 5.020 10.137 -1.029 1.00 51.14 H new ATOM 0 HA LEU A 10 2.943 11.518 0.358 1.00 32.24 H new ATOM 0 HB2 LEU A 10 3.499 8.925 -0.314 1.00 4.54 H new ATOM 0 HB3 LEU A 10 3.970 8.920 1.374 1.00 4.54 H new ATOM 0 HG LEU A 10 1.282 10.013 0.590 1.00 72.24 H new ATOM 0 HD11 LEU A 10 0.323 7.757 0.849 1.00 53.31 H new ATOM 0 HD12 LEU A 10 1.436 7.846 -0.537 1.00 53.31 H new ATOM 0 HD13 LEU A 10 1.964 7.080 0.980 1.00 53.31 H new ATOM 0 HD21 LEU A 10 0.679 9.183 2.829 1.00 4.41 H new ATOM 0 HD22 LEU A 10 2.333 8.561 3.039 1.00 4.41 H new ATOM 0 HD23 LEU A 10 2.053 10.312 2.892 1.00 4.41 H new ATOM 173 N GLN A 11 5.683 10.742 2.048 1.00 10.10 N ATOM 174 CA GLN A 11 6.453 11.073 3.241 1.00 33.14 C ATOM 175 C GLN A 11 6.787 12.560 3.279 1.00 41.44 C ATOM 176 O GLN A 11 6.927 13.150 4.351 1.00 53.23 O ATOM 177 CB GLN A 11 7.740 10.247 3.289 1.00 53.41 C ATOM 178 CG GLN A 11 8.052 9.686 4.667 1.00 51.13 C ATOM 179 CD GLN A 11 8.911 8.438 4.608 1.00 41.54 C ATOM 180 OE1 GLN A 11 10.127 8.498 4.796 1.00 54.35 O ATOM 181 NE2 GLN A 11 8.283 7.298 4.346 1.00 54.45 N ATOM 0 H GLN A 11 6.124 10.053 1.439 1.00 10.10 H new ATOM 0 HA GLN A 11 5.844 10.834 4.113 1.00 33.14 H new ATOM 0 HB2 GLN A 11 7.660 9.423 2.580 1.00 53.41 H new ATOM 0 HB3 GLN A 11 8.573 10.869 2.962 1.00 53.41 H new ATOM 0 HG2 GLN A 11 8.563 10.446 5.258 1.00 51.13 H new ATOM 0 HG3 GLN A 11 7.119 9.456 5.181 1.00 51.13 H new ATOM 0 HE21 GLN A 11 7.274 7.294 4.197 1.00 54.45 H new ATOM 0 HE22 GLN A 11 8.810 6.426 4.294 1.00 54.45 H new ATOM 190 N THR A 12 6.915 13.163 2.100 1.00 20.04 N ATOM 191 CA THR A 12 7.235 14.581 1.998 1.00 14.20 C ATOM 192 C THR A 12 6.011 15.443 2.288 1.00 20.22 C ATOM 193 O THR A 12 6.033 16.288 3.182 1.00 23.14 O ATOM 194 CB THR A 12 7.778 14.935 0.601 1.00 51.12 C ATOM 195 OG1 THR A 12 9.136 14.498 0.478 1.00 1.43 O ATOM 196 CG2 THR A 12 7.697 16.434 0.353 1.00 65.24 C ATOM 0 H THR A 12 6.802 12.691 1.203 1.00 20.04 H new ATOM 0 HA THR A 12 8.005 14.786 2.742 1.00 14.20 H new ATOM 0 HB THR A 12 7.165 14.426 -0.143 1.00 51.12 H new ATOM 0 HG1 THR A 12 9.183 13.750 -0.154 1.00 1.43 H new ATOM 0 HG21 THR A 12 8.086 16.660 -0.640 1.00 65.24 H new ATOM 0 HG22 THR A 12 6.658 16.758 0.418 1.00 65.24 H new ATOM 0 HG23 THR A 12 8.289 16.959 1.103 1.00 65.24 H new ATOM 204 N ALA A 13 4.944 15.223 1.527 1.00 20.30 N ATOM 205 CA ALA A 13 3.710 15.978 1.705 1.00 71.31 C ATOM 206 C ALA A 13 3.264 15.966 3.163 1.00 25.12 C ATOM 207 O ALA A 13 2.877 16.997 3.714 1.00 61.15 O ATOM 208 CB ALA A 13 2.614 15.416 0.812 1.00 70.53 C ATOM 0 H ALA A 13 4.909 14.528 0.781 1.00 20.30 H new ATOM 0 HA ALA A 13 3.902 17.012 1.420 1.00 71.31 H new ATOM 0 HB1 ALA A 13 1.698 15.989 0.955 1.00 70.53 H new ATOM 0 HB2 ALA A 13 2.924 15.483 -0.231 1.00 70.53 H new ATOM 0 HB3 ALA A 13 2.433 14.373 1.071 1.00 70.53 H new ATOM 214 N LYS A 14 3.321 14.793 3.785 1.00 62.12 N ATOM 215 CA LYS A 14 2.924 14.646 5.180 1.00 22.21 C ATOM 216 C LYS A 14 3.923 15.334 6.105 1.00 15.52 C ATOM 217 O LYS A 14 3.536 16.063 7.018 1.00 3.10 O ATOM 218 CB LYS A 14 2.812 13.164 5.546 1.00 15.22 C ATOM 219 CG LYS A 14 2.284 12.923 6.950 1.00 51.00 C ATOM 220 CD LYS A 14 0.959 12.179 6.928 1.00 63.24 C ATOM 221 CE LYS A 14 0.123 12.492 8.159 1.00 62.00 C ATOM 222 NZ LYS A 14 -1.016 11.545 8.312 1.00 61.15 N ATOM 0 H LYS A 14 3.639 13.930 3.344 1.00 62.12 H new ATOM 0 HA LYS A 14 1.951 15.120 5.307 1.00 22.21 H new ATOM 0 HB2 LYS A 14 2.155 12.670 4.830 1.00 15.22 H new ATOM 0 HB3 LYS A 14 3.794 12.700 5.451 1.00 15.22 H new ATOM 0 HG2 LYS A 14 3.015 12.350 7.521 1.00 51.00 H new ATOM 0 HG3 LYS A 14 2.158 13.877 7.461 1.00 51.00 H new ATOM 0 HD2 LYS A 14 0.403 12.451 6.031 1.00 63.24 H new ATOM 0 HD3 LYS A 14 1.144 11.106 6.876 1.00 63.24 H new ATOM 0 HE2 LYS A 14 0.754 12.448 9.047 1.00 62.00 H new ATOM 0 HE3 LYS A 14 -0.259 13.511 8.089 1.00 62.00 H new ATOM 0 HZ1 LYS A 14 -1.561 11.792 9.162 1.00 61.15 H new ATOM 0 HZ2 LYS A 14 -1.632 11.605 7.476 1.00 61.15 H new ATOM 0 HZ3 LYS A 14 -0.651 10.575 8.404 1.00 61.15 H new ATOM 236 N ASN A 15 5.208 15.099 5.862 1.00 52.44 N ATOM 237 CA ASN A 15 6.261 15.698 6.673 1.00 45.22 C ATOM 238 C ASN A 15 6.130 17.218 6.700 1.00 34.12 C ATOM 239 O ASN A 15 6.570 17.872 7.646 1.00 42.22 O ATOM 240 CB ASN A 15 7.637 15.304 6.131 1.00 0.21 C ATOM 241 CG ASN A 15 8.762 16.074 6.796 1.00 62.42 C ATOM 242 OD1 ASN A 15 9.491 16.819 6.141 1.00 61.22 O ATOM 243 ND2 ASN A 15 8.909 15.896 8.104 1.00 74.44 N ATOM 0 H ASN A 15 5.545 14.498 5.110 1.00 52.44 H new ATOM 0 HA ASN A 15 6.157 15.324 7.692 1.00 45.22 H new ATOM 0 HB2 ASN A 15 7.792 14.236 6.283 1.00 0.21 H new ATOM 0 HB3 ASN A 15 7.665 15.481 5.056 1.00 0.21 H new ATOM 0 HD21 ASN A 15 9.649 16.387 8.605 1.00 74.44 H new ATOM 0 HD22 ASN A 15 8.281 15.269 8.607 1.00 74.44 H new ATOM 250 N ILE A 16 5.520 17.772 5.658 1.00 41.33 N ATOM 251 CA ILE A 16 5.329 19.214 5.563 1.00 13.23 C ATOM 252 C ILE A 16 4.290 19.698 6.570 1.00 70.25 C ATOM 253 O ILE A 16 4.545 20.615 7.351 1.00 62.02 O ATOM 254 CB ILE A 16 4.889 19.632 4.148 1.00 43.33 C ATOM 255 CG1 ILE A 16 5.993 19.322 3.135 1.00 64.11 C ATOM 256 CG2 ILE A 16 4.536 21.112 4.118 1.00 24.20 C ATOM 257 CD1 ILE A 16 5.471 18.985 1.756 1.00 41.22 C ATOM 0 H ILE A 16 5.150 17.244 4.868 1.00 41.33 H new ATOM 0 HA ILE A 16 6.291 19.675 5.786 1.00 13.23 H new ATOM 0 HB ILE A 16 4.001 19.061 3.876 1.00 43.33 H new ATOM 0 HG12 ILE A 16 6.660 20.181 3.062 1.00 64.11 H new ATOM 0 HG13 ILE A 16 6.589 18.487 3.503 1.00 64.11 H new ATOM 0 HG21 ILE A 16 4.227 21.392 3.111 1.00 24.20 H new ATOM 0 HG22 ILE A 16 3.721 21.306 4.815 1.00 24.20 H new ATOM 0 HG23 ILE A 16 5.407 21.700 4.407 1.00 24.20 H new ATOM 0 HD11 ILE A 16 6.309 18.777 1.091 1.00 41.22 H new ATOM 0 HD12 ILE A 16 4.828 18.107 1.815 1.00 41.22 H new ATOM 0 HD13 ILE A 16 4.900 19.828 1.367 1.00 41.22 H new ATOM 269 N THR A 17 3.116 19.074 6.547 1.00 63.43 N ATOM 270 CA THR A 17 2.038 19.439 7.457 1.00 44.31 C ATOM 271 C THR A 17 2.314 18.932 8.868 1.00 43.23 C ATOM 272 O THR A 17 1.800 19.477 9.844 1.00 61.01 O ATOM 273 CB THR A 17 0.685 18.880 6.978 1.00 1.52 C ATOM 274 OG1 THR A 17 0.720 18.655 5.565 1.00 45.45 O ATOM 275 CG2 THR A 17 -0.446 19.840 7.316 1.00 33.51 C ATOM 0 H THR A 17 2.888 18.313 5.907 1.00 63.43 H new ATOM 0 HA THR A 17 1.989 20.528 7.468 1.00 44.31 H new ATOM 0 HB THR A 17 0.505 17.935 7.491 1.00 1.52 H new ATOM 0 HG1 THR A 17 -0.143 18.298 5.269 1.00 45.45 H new ATOM 0 HG21 THR A 17 -1.392 19.425 6.968 1.00 33.51 H new ATOM 0 HG22 THR A 17 -0.489 19.986 8.395 1.00 33.51 H new ATOM 0 HG23 THR A 17 -0.269 20.798 6.827 1.00 33.51 H new ATOM 283 N GLU A 18 3.129 17.887 8.967 1.00 24.31 N ATOM 284 CA GLU A 18 3.473 17.307 10.260 1.00 32.12 C ATOM 285 C GLU A 18 4.549 18.133 10.958 1.00 23.03 C ATOM 286 O GLU A 18 4.510 18.323 12.174 1.00 10.10 O ATOM 287 CB GLU A 18 3.954 15.865 10.086 1.00 71.10 C ATOM 288 CG GLU A 18 4.321 15.184 11.393 1.00 23.45 C ATOM 289 CD GLU A 18 3.286 14.166 11.832 1.00 11.43 C ATOM 290 OE1 GLU A 18 3.425 12.982 11.462 1.00 31.31 O ATOM 291 OE2 GLU A 18 2.337 14.554 12.545 1.00 10.51 O ATOM 0 H GLU A 18 3.563 17.425 8.168 1.00 24.31 H new ATOM 0 HA GLU A 18 2.577 17.311 10.881 1.00 32.12 H new ATOM 0 HB2 GLU A 18 3.173 15.287 9.592 1.00 71.10 H new ATOM 0 HB3 GLU A 18 4.821 15.857 9.426 1.00 71.10 H new ATOM 0 HG2 GLU A 18 5.286 14.690 11.282 1.00 23.45 H new ATOM 0 HG3 GLU A 18 4.436 15.938 12.171 1.00 23.45 H new ATOM 298 N ARG A 19 5.510 18.621 10.180 1.00 30.32 N ATOM 299 CA ARG A 19 6.598 19.425 10.723 1.00 64.31 C ATOM 300 C ARG A 19 6.091 20.790 11.177 1.00 45.40 C ATOM 301 O ARG A 19 6.422 21.256 12.268 1.00 73.31 O ATOM 302 CB ARG A 19 7.702 19.600 9.678 1.00 73.12 C ATOM 303 CG ARG A 19 8.954 20.269 10.221 1.00 60.35 C ATOM 304 CD ARG A 19 9.469 21.340 9.272 1.00 62.20 C ATOM 305 NE ARG A 19 10.836 21.744 9.593 1.00 74.45 N ATOM 306 CZ ARG A 19 11.156 22.478 10.652 1.00 35.55 C ATOM 307 NH1 ARG A 19 10.212 22.885 11.490 1.00 51.42 N ATOM 308 NH2 ARG A 19 12.422 22.804 10.877 1.00 52.41 N ATOM 0 H ARG A 19 5.557 18.473 9.172 1.00 30.32 H new ATOM 0 HA ARG A 19 7.006 18.902 11.588 1.00 64.31 H new ATOM 0 HB2 ARG A 19 7.968 18.623 9.276 1.00 73.12 H new ATOM 0 HB3 ARG A 19 7.315 20.192 8.848 1.00 73.12 H new ATOM 0 HG2 ARG A 19 8.738 20.715 11.192 1.00 60.35 H new ATOM 0 HG3 ARG A 19 9.729 19.519 10.380 1.00 60.35 H new ATOM 0 HD2 ARG A 19 9.432 20.966 8.249 1.00 62.20 H new ATOM 0 HD3 ARG A 19 8.814 22.210 9.317 1.00 62.20 H new ATOM 0 HE ARG A 19 11.586 21.446 8.969 1.00 74.45 H new ATOM 0 HH11 ARG A 19 9.238 22.634 11.322 1.00 51.42 H new ATOM 0 HH12 ARG A 19 10.460 23.449 12.303 1.00 51.42 H new ATOM 0 HH21 ARG A 19 13.151 22.491 10.236 1.00 52.41 H new ATOM 0 HH22 ARG A 19 12.666 23.368 11.691 1.00 52.41 H new ATOM 322 N VAL A 20 5.288 21.428 10.332 1.00 14.41 N ATOM 323 CA VAL A 20 4.734 22.740 10.646 1.00 4.32 C ATOM 324 C VAL A 20 3.990 22.719 11.976 1.00 31.44 C ATOM 325 O VAL A 20 4.154 23.613 12.806 1.00 53.21 O ATOM 326 CB VAL A 20 3.776 23.224 9.542 1.00 41.41 C ATOM 327 CG1 VAL A 20 2.693 22.189 9.283 1.00 35.22 C ATOM 328 CG2 VAL A 20 3.165 24.566 9.918 1.00 35.51 C ATOM 0 H VAL A 20 5.006 21.058 9.424 1.00 14.41 H new ATOM 0 HA VAL A 20 5.575 23.430 10.715 1.00 4.32 H new ATOM 0 HB VAL A 20 4.346 23.355 8.622 1.00 41.41 H new ATOM 0 HG11 VAL A 20 2.026 22.549 8.500 1.00 35.22 H new ATOM 0 HG12 VAL A 20 3.153 21.253 8.966 1.00 35.22 H new ATOM 0 HG13 VAL A 20 2.123 22.022 10.197 1.00 35.22 H new ATOM 0 HG21 VAL A 20 2.491 24.893 9.127 1.00 35.51 H new ATOM 0 HG22 VAL A 20 2.609 24.464 10.850 1.00 35.51 H new ATOM 0 HG23 VAL A 20 3.957 25.303 10.047 1.00 35.51 H new ATOM 338 N SER A 21 3.171 21.690 12.173 1.00 2.14 N ATOM 339 CA SER A 21 2.398 21.553 13.402 1.00 21.01 C ATOM 340 C SER A 21 3.317 21.503 14.619 1.00 33.42 C ATOM 341 O SER A 21 3.187 22.307 15.542 1.00 61.42 O ATOM 342 CB SER A 21 1.535 20.291 13.348 1.00 15.22 C ATOM 343 OG SER A 21 0.222 20.590 12.905 1.00 0.13 O ATOM 0 H SER A 21 3.026 20.940 11.498 1.00 2.14 H new ATOM 0 HA SER A 21 1.750 22.424 13.494 1.00 21.01 H new ATOM 0 HB2 SER A 21 1.991 19.563 12.678 1.00 15.22 H new ATOM 0 HB3 SER A 21 1.493 19.832 14.336 1.00 15.22 H new ATOM 0 HG SER A 21 -0.309 19.767 12.877 1.00 0.13 H new ATOM 349 N MET A 22 4.245 20.551 14.613 1.00 11.50 N ATOM 350 CA MET A 22 5.187 20.396 15.716 1.00 54.14 C ATOM 351 C MET A 22 5.990 21.675 15.929 1.00 13.30 C ATOM 352 O MET A 22 6.393 21.986 17.049 1.00 4.02 O ATOM 353 CB MET A 22 6.133 19.225 15.445 1.00 41.01 C ATOM 354 CG MET A 22 5.514 17.866 15.726 1.00 30.44 C ATOM 355 SD MET A 22 6.742 16.619 16.161 1.00 4.41 S ATOM 356 CE MET A 22 7.803 16.672 14.719 1.00 43.21 C ATOM 0 H MET A 22 4.365 19.876 13.858 1.00 11.50 H new ATOM 0 HA MET A 22 4.617 20.191 16.622 1.00 54.14 H new ATOM 0 HB2 MET A 22 6.453 19.261 14.404 1.00 41.01 H new ATOM 0 HB3 MET A 22 7.027 19.342 16.058 1.00 41.01 H new ATOM 0 HG2 MET A 22 4.794 17.960 16.539 1.00 30.44 H new ATOM 0 HG3 MET A 22 4.961 17.534 14.847 1.00 30.44 H new ATOM 0 HE1 MET A 22 8.505 15.839 14.753 1.00 43.21 H new ATOM 0 HE2 MET A 22 7.195 16.598 13.817 1.00 43.21 H new ATOM 0 HE3 MET A 22 8.355 17.612 14.708 1.00 43.21 H new ATOM 366 N ALA A 23 6.218 22.413 14.847 1.00 31.13 N ATOM 367 CA ALA A 23 6.971 23.659 14.917 1.00 21.22 C ATOM 368 C ALA A 23 6.193 24.729 15.676 1.00 61.14 C ATOM 369 O ALA A 23 6.697 25.317 16.633 1.00 1.01 O ATOM 370 CB ALA A 23 7.316 24.146 13.518 1.00 52.42 C ATOM 0 H ALA A 23 5.892 22.169 13.912 1.00 31.13 H new ATOM 0 HA ALA A 23 7.896 23.466 15.461 1.00 21.22 H new ATOM 0 HB1 ALA A 23 7.878 25.077 13.585 1.00 52.42 H new ATOM 0 HB2 ALA A 23 7.919 23.394 13.009 1.00 52.42 H new ATOM 0 HB3 ALA A 23 6.398 24.316 12.955 1.00 52.42 H new ATOM 376 N THR A 24 4.961 24.978 15.241 1.00 5.14 N ATOM 377 CA THR A 24 4.115 25.979 15.878 1.00 35.30 C ATOM 378 C THR A 24 3.993 25.724 17.376 1.00 22.20 C ATOM 379 O THR A 24 4.051 26.654 18.180 1.00 22.51 O ATOM 380 CB THR A 24 2.705 26.000 15.257 1.00 63.55 C ATOM 381 OG1 THR A 24 2.750 25.480 13.923 1.00 43.32 O ATOM 382 CG2 THR A 24 2.143 27.413 15.237 1.00 22.02 C ATOM 0 H THR A 24 4.528 24.500 14.451 1.00 5.14 H new ATOM 0 HA THR A 24 4.592 26.945 15.714 1.00 35.30 H new ATOM 0 HB THR A 24 2.053 25.376 15.869 1.00 63.55 H new ATOM 0 HG1 THR A 24 2.162 26.010 13.345 1.00 43.32 H new ATOM 0 HG21 THR A 24 1.147 27.402 14.794 1.00 22.02 H new ATOM 0 HG22 THR A 24 2.083 27.795 16.256 1.00 22.02 H new ATOM 0 HG23 THR A 24 2.796 28.056 14.646 1.00 22.02 H new ATOM 390 N ALA A 25 3.825 24.458 17.744 1.00 22.04 N ATOM 391 CA ALA A 25 3.699 24.081 19.147 1.00 75.13 C ATOM 392 C ALA A 25 4.993 24.350 19.907 1.00 61.45 C ATOM 393 O ALA A 25 4.995 25.045 20.922 1.00 11.12 O ATOM 394 CB ALA A 25 3.309 22.615 19.266 1.00 70.11 C ATOM 0 H ALA A 25 3.773 23.676 17.091 1.00 22.04 H new ATOM 0 HA ALA A 25 2.914 24.692 19.593 1.00 75.13 H new ATOM 0 HB1 ALA A 25 3.218 22.347 20.319 1.00 70.11 H new ATOM 0 HB2 ALA A 25 2.354 22.451 18.766 1.00 70.11 H new ATOM 0 HB3 ALA A 25 4.075 21.996 18.798 1.00 70.11 H new ATOM 400 N SER A 26 6.093 23.793 19.408 1.00 13.53 N ATOM 401 CA SER A 26 7.394 23.970 20.043 1.00 35.32 C ATOM 402 C SER A 26 7.826 25.432 19.998 1.00 65.00 C ATOM 403 O SER A 26 8.759 25.836 20.692 1.00 42.40 O ATOM 404 CB SER A 26 8.443 23.094 19.356 1.00 31.10 C ATOM 405 OG SER A 26 9.751 23.440 19.777 1.00 30.11 O ATOM 0 H SER A 26 6.109 23.216 18.567 1.00 13.53 H new ATOM 0 HA SER A 26 7.306 23.668 21.087 1.00 35.32 H new ATOM 0 HB2 SER A 26 8.250 22.045 19.582 1.00 31.10 H new ATOM 0 HB3 SER A 26 8.364 23.207 18.275 1.00 31.10 H new ATOM 0 HG SER A 26 10.403 22.865 19.325 1.00 30.11 H new ATOM 411 N SER A 27 7.142 26.220 19.176 1.00 54.25 N ATOM 412 CA SER A 27 7.457 27.637 19.036 1.00 54.13 C ATOM 413 C SER A 27 6.520 28.488 19.888 1.00 45.50 C ATOM 414 O SER A 27 6.840 29.627 20.230 1.00 33.44 O ATOM 415 CB SER A 27 7.357 28.061 17.569 1.00 13.11 C ATOM 416 OG SER A 27 8.367 27.444 16.790 1.00 75.22 O ATOM 0 H SER A 27 6.366 25.902 18.596 1.00 54.25 H new ATOM 0 HA SER A 27 8.478 27.793 19.383 1.00 54.13 H new ATOM 0 HB2 SER A 27 6.376 27.794 17.176 1.00 13.11 H new ATOM 0 HB3 SER A 27 7.446 29.145 17.493 1.00 13.11 H new ATOM 0 HG SER A 27 8.073 26.547 16.525 1.00 75.22 H new ATOM 422 N GLN A 28 5.364 27.928 20.226 1.00 71.50 N ATOM 423 CA GLN A 28 4.381 28.635 21.037 1.00 14.14 C ATOM 424 C GLN A 28 3.734 27.696 22.051 1.00 42.32 C ATOM 425 O GLN A 28 4.085 27.704 23.231 1.00 74.41 O ATOM 426 CB GLN A 28 3.306 29.260 20.145 1.00 24.43 C ATOM 427 CG GLN A 28 3.730 30.575 19.513 1.00 42.32 C ATOM 428 CD GLN A 28 2.550 31.445 19.128 1.00 34.10 C ATOM 429 OE1 GLN A 28 1.651 31.009 18.408 1.00 30.40 O ATOM 430 NE2 GLN A 28 2.545 32.683 19.607 1.00 1.32 N ATOM 0 H GLN A 28 5.085 26.986 19.951 1.00 71.50 H new ATOM 0 HA GLN A 28 4.898 29.426 21.580 1.00 14.14 H new ATOM 0 HB2 GLN A 28 3.045 28.555 19.356 1.00 24.43 H new ATOM 0 HB3 GLN A 28 2.405 29.424 20.736 1.00 24.43 H new ATOM 0 HG2 GLN A 28 4.366 31.120 20.210 1.00 42.32 H new ATOM 0 HG3 GLN A 28 4.330 30.371 18.626 1.00 42.32 H new ATOM 0 HE21 GLN A 28 3.310 33.003 20.200 1.00 1.32 H new ATOM 0 HE22 GLN A 28 1.776 33.314 19.382 1.00 1.32 H new ATOM 439 N VAL A 29 2.788 26.889 21.582 1.00 31.24 N ATOM 440 CA VAL A 29 2.093 25.943 22.447 1.00 14.35 C ATOM 441 C VAL A 29 1.072 25.128 21.662 1.00 70.41 C ATOM 442 O VAL A 29 0.836 23.956 21.959 1.00 32.22 O ATOM 443 CB VAL A 29 1.376 26.664 23.605 1.00 22.21 C ATOM 444 CG1 VAL A 29 0.415 27.713 23.068 1.00 42.32 C ATOM 445 CG2 VAL A 29 0.646 25.661 24.486 1.00 52.15 C ATOM 0 H VAL A 29 2.485 26.871 20.608 1.00 31.24 H new ATOM 0 HA VAL A 29 2.850 25.274 22.857 1.00 14.35 H new ATOM 0 HB VAL A 29 2.125 27.170 24.214 1.00 22.21 H new ATOM 0 HG11 VAL A 29 -0.082 28.211 23.900 1.00 42.32 H new ATOM 0 HG12 VAL A 29 0.968 28.448 22.483 1.00 42.32 H new ATOM 0 HG13 VAL A 29 -0.331 27.233 22.435 1.00 42.32 H new ATOM 0 HG21 VAL A 29 0.145 26.187 25.299 1.00 52.15 H new ATOM 0 HG22 VAL A 29 -0.093 25.125 23.891 1.00 52.15 H new ATOM 0 HG23 VAL A 29 1.362 24.952 24.900 1.00 52.15 H new ATOM 455 N LEU A 30 0.469 25.754 20.657 1.00 24.13 N ATOM 456 CA LEU A 30 -0.527 25.086 19.827 1.00 42.02 C ATOM 457 C LEU A 30 -1.777 24.755 20.636 1.00 42.02 C ATOM 458 O LEU A 30 -2.083 23.586 20.873 1.00 2.11 O ATOM 459 CB LEU A 30 0.058 23.808 19.224 1.00 74.54 C ATOM 460 CG LEU A 30 -0.566 23.340 17.908 1.00 10.01 C ATOM 461 CD1 LEU A 30 0.377 23.607 16.746 1.00 43.15 C ATOM 462 CD2 LEU A 30 -0.920 21.862 17.981 1.00 31.13 C ATOM 0 H LEU A 30 0.653 26.723 20.397 1.00 24.13 H new ATOM 0 HA LEU A 30 -0.808 25.765 19.022 1.00 42.02 H new ATOM 0 HB2 LEU A 30 1.125 23.962 19.063 1.00 74.54 H new ATOM 0 HB3 LEU A 30 -0.042 23.006 19.956 1.00 74.54 H new ATOM 0 HG LEU A 30 -1.483 23.905 17.742 1.00 10.01 H new ATOM 0 HD11 LEU A 30 -0.084 23.268 15.818 1.00 43.15 H new ATOM 0 HD12 LEU A 30 0.580 24.676 16.680 1.00 43.15 H new ATOM 0 HD13 LEU A 30 1.312 23.069 16.905 1.00 43.15 H new ATOM 0 HD21 LEU A 30 -1.363 21.547 17.036 1.00 31.13 H new ATOM 0 HD22 LEU A 30 -0.018 21.281 18.171 1.00 31.13 H new ATOM 0 HD23 LEU A 30 -1.634 21.698 18.788 1.00 31.13 H new ATOM 474 N ILE A 31 -2.496 25.791 21.054 1.00 23.04 N ATOM 475 CA ILE A 31 -3.714 25.610 21.834 1.00 72.44 C ATOM 476 C ILE A 31 -4.695 26.753 21.595 1.00 63.32 C ATOM 477 O ILE A 31 -4.311 27.873 21.258 1.00 63.24 O ATOM 478 CB ILE A 31 -3.410 25.515 23.340 1.00 10.55 C ATOM 479 CG1 ILE A 31 -2.656 26.762 23.810 1.00 75.33 C ATOM 480 CG2 ILE A 31 -2.606 24.259 23.641 1.00 12.31 C ATOM 481 CD1 ILE A 31 -3.509 27.714 24.619 1.00 4.10 C ATOM 0 H ILE A 31 -2.256 26.764 20.866 1.00 23.04 H new ATOM 0 HA ILE A 31 -4.164 24.674 21.504 1.00 72.44 H new ATOM 0 HB ILE A 31 -4.354 25.457 23.883 1.00 10.55 H new ATOM 0 HG12 ILE A 31 -1.800 26.454 24.410 1.00 75.33 H new ATOM 0 HG13 ILE A 31 -2.263 27.289 22.940 1.00 75.33 H new ATOM 0 HG21 ILE A 31 -2.399 24.207 24.710 1.00 12.31 H new ATOM 0 HG22 ILE A 31 -3.176 23.381 23.338 1.00 12.31 H new ATOM 0 HG23 ILE A 31 -1.666 24.288 23.091 1.00 12.31 H new ATOM 0 HD11 ILE A 31 -2.910 28.574 24.918 1.00 4.10 H new ATOM 0 HD12 ILE A 31 -4.351 28.051 24.015 1.00 4.10 H new ATOM 0 HD13 ILE A 31 -3.881 27.204 25.508 1.00 4.10 H new ATOM 493 N PRO A 32 -5.993 26.466 21.775 1.00 43.30 N ATOM 494 CA PRO A 32 -7.056 27.458 21.587 1.00 43.01 C ATOM 495 C PRO A 32 -7.042 28.534 22.667 1.00 13.12 C ATOM 496 O PRO A 32 -6.799 28.247 23.839 1.00 75.43 O ATOM 497 CB PRO A 32 -8.337 26.626 21.677 1.00 72.20 C ATOM 498 CG PRO A 32 -7.963 25.441 22.499 1.00 45.11 C ATOM 499 CD PRO A 32 -6.522 25.152 22.177 1.00 53.42 C ATOM 0 HA PRO A 32 -6.948 27.998 20.647 1.00 43.01 H new ATOM 0 HB2 PRO A 32 -9.144 27.192 22.142 1.00 72.20 H new ATOM 0 HB3 PRO A 32 -8.685 26.328 20.688 1.00 72.20 H new ATOM 0 HG2 PRO A 32 -8.092 25.647 23.562 1.00 45.11 H new ATOM 0 HG3 PRO A 32 -8.595 24.586 22.261 1.00 45.11 H new ATOM 0 HD2 PRO A 32 -5.990 24.751 23.040 1.00 53.42 H new ATOM 0 HD3 PRO A 32 -6.428 24.419 21.376 1.00 53.42 H new ATOM 507 N GLU A 33 -7.305 29.774 22.265 1.00 73.42 N ATOM 508 CA GLU A 33 -7.323 30.892 23.200 1.00 3.11 C ATOM 509 C GLU A 33 -8.362 31.931 22.787 1.00 64.31 C ATOM 510 O GLU A 33 -9.427 32.034 23.395 1.00 34.31 O ATOM 511 CB GLU A 33 -5.940 31.542 23.279 1.00 65.42 C ATOM 512 CG GLU A 33 -5.214 31.273 24.587 1.00 73.44 C ATOM 513 CD GLU A 33 -5.574 32.272 25.669 1.00 23.43 C ATOM 514 OE1 GLU A 33 -5.114 33.430 25.583 1.00 22.43 O ATOM 515 OE2 GLU A 33 -6.314 31.896 26.602 1.00 70.01 O ATOM 0 H GLU A 33 -7.508 30.029 21.299 1.00 73.42 H new ATOM 0 HA GLU A 33 -7.592 30.505 24.183 1.00 3.11 H new ATOM 0 HB2 GLU A 33 -5.329 31.178 22.453 1.00 65.42 H new ATOM 0 HB3 GLU A 33 -6.046 32.619 23.147 1.00 65.42 H new ATOM 0 HG2 GLU A 33 -5.454 30.267 24.932 1.00 73.44 H new ATOM 0 HG3 GLU A 33 -4.138 31.302 24.414 1.00 73.44 H new ATOM 522 N ILE A 34 -8.042 32.698 21.750 1.00 35.01 N ATOM 523 CA ILE A 34 -8.948 33.728 21.255 1.00 24.24 C ATOM 524 C ILE A 34 -8.777 33.934 19.754 1.00 14.21 C ATOM 525 O ILE A 34 -9.630 33.535 18.962 1.00 22.10 O ATOM 526 CB ILE A 34 -8.721 35.070 21.976 1.00 44.14 C ATOM 527 CG1 ILE A 34 -8.933 34.908 23.482 1.00 33.21 C ATOM 528 CG2 ILE A 34 -9.651 36.136 21.416 1.00 60.44 C ATOM 529 CD1 ILE A 34 -8.736 36.189 24.262 1.00 72.03 C ATOM 0 H ILE A 34 -7.163 32.626 21.237 1.00 35.01 H new ATOM 0 HA ILE A 34 -9.962 33.383 21.459 1.00 24.24 H new ATOM 0 HB ILE A 34 -7.692 35.387 21.806 1.00 44.14 H new ATOM 0 HG12 ILE A 34 -9.942 34.535 23.661 1.00 33.21 H new ATOM 0 HG13 ILE A 34 -8.243 34.153 23.859 1.00 33.21 H new ATOM 0 HG21 ILE A 34 -9.479 37.079 21.936 1.00 60.44 H new ATOM 0 HG22 ILE A 34 -9.455 36.267 20.352 1.00 60.44 H new ATOM 0 HG23 ILE A 34 -10.686 35.827 21.559 1.00 60.44 H new ATOM 0 HD11 ILE A 34 -8.902 35.999 25.322 1.00 72.03 H new ATOM 0 HD12 ILE A 34 -7.719 36.552 24.114 1.00 72.03 H new ATOM 0 HD13 ILE A 34 -9.444 36.940 23.913 1.00 72.03 H new ATOM 541 N ASN A 35 -7.669 34.559 19.370 1.00 11.21 N ATOM 542 CA ASN A 35 -7.386 34.818 17.963 1.00 62.40 C ATOM 543 C ASN A 35 -6.229 33.952 17.473 1.00 3.22 C ATOM 544 O ASN A 35 -5.477 34.348 16.582 1.00 43.33 O ATOM 545 CB ASN A 35 -7.057 36.297 17.751 1.00 64.32 C ATOM 546 CG ASN A 35 -7.295 36.743 16.321 1.00 20.31 C ATOM 547 OD1 ASN A 35 -8.396 36.598 15.789 1.00 23.42 O ATOM 548 ND2 ASN A 35 -6.261 37.289 15.692 1.00 60.33 N ATOM 0 H ASN A 35 -6.952 34.895 20.013 1.00 11.21 H new ATOM 0 HA ASN A 35 -8.276 34.565 17.386 1.00 62.40 H new ATOM 0 HB2 ASN A 35 -7.665 36.902 18.423 1.00 64.32 H new ATOM 0 HB3 ASN A 35 -6.015 36.476 18.016 1.00 64.32 H new ATOM 0 HD21 ASN A 35 -6.361 37.608 14.728 1.00 60.33 H new ATOM 0 HD22 ASN A 35 -5.367 37.389 16.172 1.00 60.33 H new ATOM 555 N LEU A 36 -6.092 32.769 18.061 1.00 31.12 N ATOM 556 CA LEU A 36 -5.027 31.846 17.685 1.00 70.12 C ATOM 557 C LEU A 36 -5.518 30.843 16.646 1.00 63.14 C ATOM 558 O LEU A 36 -4.786 30.478 15.727 1.00 43.45 O ATOM 559 CB LEU A 36 -4.507 31.106 18.918 1.00 2.15 C ATOM 560 CG LEU A 36 -3.300 30.194 18.695 1.00 40.01 C ATOM 561 CD1 LEU A 36 -2.395 30.196 19.917 1.00 13.43 C ATOM 562 CD2 LEU A 36 -3.754 28.779 18.368 1.00 32.10 C ATOM 0 H LEU A 36 -6.705 32.426 18.800 1.00 31.12 H new ATOM 0 HA LEU A 36 -4.215 32.427 17.248 1.00 70.12 H new ATOM 0 HB2 LEU A 36 -4.244 31.844 19.676 1.00 2.15 H new ATOM 0 HB3 LEU A 36 -5.320 30.506 19.326 1.00 2.15 H new ATOM 0 HG LEU A 36 -2.732 30.577 17.848 1.00 40.01 H new ATOM 0 HD11 LEU A 36 -1.542 29.541 19.739 1.00 13.43 H new ATOM 0 HD12 LEU A 36 -2.041 31.210 20.106 1.00 13.43 H new ATOM 0 HD13 LEU A 36 -2.952 29.839 20.783 1.00 13.43 H new ATOM 0 HD21 LEU A 36 -2.882 28.144 18.212 1.00 32.10 H new ATOM 0 HD22 LEU A 36 -4.346 28.387 19.195 1.00 32.10 H new ATOM 0 HD23 LEU A 36 -4.360 28.792 17.462 1.00 32.10 H new ATOM 574 N ASN A 37 -6.762 30.402 16.798 1.00 54.24 N ATOM 575 CA ASN A 37 -7.352 29.442 15.871 1.00 2.41 C ATOM 576 C ASN A 37 -7.331 29.981 14.444 1.00 71.12 C ATOM 577 O ASN A 37 -7.417 29.219 13.481 1.00 72.14 O ATOM 578 CB ASN A 37 -8.789 29.119 16.285 1.00 23.32 C ATOM 579 CG ASN A 37 -9.077 27.630 16.256 1.00 14.22 C ATOM 580 OD1 ASN A 37 -9.376 27.065 15.204 1.00 21.11 O ATOM 581 ND2 ASN A 37 -8.990 26.988 17.415 1.00 4.03 N ATOM 0 H ASN A 37 -7.382 30.694 17.554 1.00 54.24 H new ATOM 0 HA ASN A 37 -6.757 28.529 15.905 1.00 2.41 H new ATOM 0 HB2 ASN A 37 -8.970 29.502 17.289 1.00 23.32 H new ATOM 0 HB3 ASN A 37 -9.481 29.633 15.618 1.00 23.32 H new ATOM 0 HD21 ASN A 37 -9.174 25.986 17.458 1.00 4.03 H new ATOM 0 HD22 ASN A 37 -8.739 27.497 18.262 1.00 4.03 H new ATOM 588 N ASP A 38 -7.216 31.298 14.316 1.00 3.10 N ATOM 589 CA ASP A 38 -7.182 31.939 13.007 1.00 42.23 C ATOM 590 C ASP A 38 -5.776 31.892 12.415 1.00 15.50 C ATOM 591 O ASP A 38 -5.578 31.425 11.293 1.00 51.31 O ATOM 592 CB ASP A 38 -7.656 33.389 13.113 1.00 41.42 C ATOM 593 CG ASP A 38 -7.563 34.127 11.792 1.00 41.14 C ATOM 594 OD1 ASP A 38 -6.563 34.846 11.582 1.00 14.32 O ATOM 595 OD2 ASP A 38 -8.489 33.985 10.967 1.00 72.34 O ATOM 0 H ASP A 38 -7.145 31.943 15.103 1.00 3.10 H new ATOM 0 HA ASP A 38 -7.854 31.393 12.345 1.00 42.23 H new ATOM 0 HB2 ASP A 38 -8.688 33.406 13.463 1.00 41.42 H new ATOM 0 HB3 ASP A 38 -7.057 33.910 13.860 1.00 41.42 H new ATOM 600 N THR A 39 -4.802 32.381 13.177 1.00 55.13 N ATOM 601 CA THR A 39 -3.416 32.397 12.728 1.00 51.34 C ATOM 602 C THR A 39 -2.939 30.996 12.365 1.00 72.31 C ATOM 603 O THR A 39 -2.374 30.780 11.293 1.00 64.52 O ATOM 604 CB THR A 39 -2.483 32.982 13.805 1.00 33.10 C ATOM 605 OG1 THR A 39 -3.256 33.613 14.832 1.00 32.54 O ATOM 606 CG2 THR A 39 -1.520 33.990 13.197 1.00 24.14 C ATOM 0 H THR A 39 -4.948 32.771 14.108 1.00 55.13 H new ATOM 0 HA THR A 39 -3.379 33.031 11.842 1.00 51.34 H new ATOM 0 HB THR A 39 -1.904 32.165 14.236 1.00 33.10 H new ATOM 0 HG1 THR A 39 -2.656 33.981 15.514 1.00 32.54 H new ATOM 0 HG21 THR A 39 -0.871 34.390 13.977 1.00 24.14 H new ATOM 0 HG22 THR A 39 -0.913 33.500 12.436 1.00 24.14 H new ATOM 0 HG23 THR A 39 -2.085 34.804 12.742 1.00 24.14 H new ATOM 614 N PHE A 40 -3.171 30.045 13.264 1.00 12.54 N ATOM 615 CA PHE A 40 -2.765 28.663 13.039 1.00 44.32 C ATOM 616 C PHE A 40 -3.438 28.095 11.793 1.00 32.22 C ATOM 617 O PHE A 40 -2.812 27.387 11.004 1.00 41.20 O ATOM 618 CB PHE A 40 -3.109 27.803 14.256 1.00 21.12 C ATOM 619 CG PHE A 40 -2.511 26.426 14.206 1.00 42.03 C ATOM 620 CD1 PHE A 40 -1.188 26.244 13.837 1.00 43.20 C ATOM 621 CD2 PHE A 40 -3.272 25.314 14.526 1.00 30.53 C ATOM 622 CE1 PHE A 40 -0.634 24.979 13.790 1.00 71.53 C ATOM 623 CE2 PHE A 40 -2.724 24.046 14.481 1.00 22.33 C ATOM 624 CZ PHE A 40 -1.404 23.878 14.111 1.00 24.24 C ATOM 0 H PHE A 40 -3.639 30.207 14.156 1.00 12.54 H new ATOM 0 HA PHE A 40 -1.686 28.648 12.887 1.00 44.32 H new ATOM 0 HB2 PHE A 40 -2.762 28.308 15.157 1.00 21.12 H new ATOM 0 HB3 PHE A 40 -4.193 27.717 14.335 1.00 21.12 H new ATOM 0 HD1 PHE A 40 -0.582 27.101 13.583 1.00 43.20 H new ATOM 0 HD2 PHE A 40 -4.305 25.439 14.814 1.00 30.53 H new ATOM 0 HE1 PHE A 40 0.399 24.851 13.503 1.00 71.53 H new ATOM 0 HE2 PHE A 40 -3.328 23.187 14.735 1.00 22.33 H new ATOM 0 HZ PHE A 40 -0.975 22.888 14.073 1.00 24.24 H new ATOM 634 N ASP A 41 -4.718 28.409 11.624 1.00 22.05 N ATOM 635 CA ASP A 41 -5.478 27.931 10.475 1.00 25.53 C ATOM 636 C ASP A 41 -4.818 28.364 9.170 1.00 74.14 C ATOM 637 O ASP A 41 -4.427 27.530 8.352 1.00 54.33 O ATOM 638 CB ASP A 41 -6.914 28.452 10.534 1.00 51.34 C ATOM 639 CG ASP A 41 -7.904 27.379 10.942 1.00 62.25 C ATOM 640 OD1 ASP A 41 -7.965 27.055 12.146 1.00 31.42 O ATOM 641 OD2 ASP A 41 -8.618 26.863 10.056 1.00 3.43 O ATOM 0 H ASP A 41 -5.251 28.993 12.269 1.00 22.05 H new ATOM 0 HA ASP A 41 -5.495 26.842 10.508 1.00 25.53 H new ATOM 0 HB2 ASP A 41 -6.968 29.280 11.241 1.00 51.34 H new ATOM 0 HB3 ASP A 41 -7.194 28.848 9.558 1.00 51.34 H new ATOM 646 N THR A 42 -4.699 29.674 8.979 1.00 1.21 N ATOM 647 CA THR A 42 -4.090 30.219 7.772 1.00 24.33 C ATOM 648 C THR A 42 -2.664 29.708 7.598 1.00 71.15 C ATOM 649 O THR A 42 -2.139 29.673 6.485 1.00 64.23 O ATOM 650 CB THR A 42 -4.071 31.759 7.798 1.00 75.21 C ATOM 651 OG1 THR A 42 -4.243 32.273 6.473 1.00 74.25 O ATOM 652 CG2 THR A 42 -2.765 32.275 8.382 1.00 71.10 C ATOM 0 H THR A 42 -5.017 30.378 9.645 1.00 1.21 H new ATOM 0 HA THR A 42 -4.699 29.885 6.932 1.00 24.33 H new ATOM 0 HB THR A 42 -4.892 32.100 8.429 1.00 75.21 H new ATOM 0 HG1 THR A 42 -4.231 33.253 6.498 1.00 74.25 H new ATOM 0 HG21 THR A 42 -2.775 33.365 8.390 1.00 71.10 H new ATOM 0 HG22 THR A 42 -2.651 31.906 9.401 1.00 71.10 H new ATOM 0 HG23 THR A 42 -1.931 31.925 7.774 1.00 71.10 H new ATOM 660 N PHE A 43 -2.043 29.312 8.703 1.00 23.24 N ATOM 661 CA PHE A 43 -0.677 28.803 8.672 1.00 24.51 C ATOM 662 C PHE A 43 -0.638 27.382 8.116 1.00 33.14 C ATOM 663 O PHE A 43 0.089 27.095 7.166 1.00 4.04 O ATOM 664 CB PHE A 43 -0.067 28.830 10.075 1.00 32.13 C ATOM 665 CG PHE A 43 1.416 28.592 10.090 1.00 52.55 C ATOM 666 CD1 PHE A 43 1.992 27.785 11.057 1.00 43.31 C ATOM 667 CD2 PHE A 43 2.233 29.177 9.136 1.00 65.02 C ATOM 668 CE1 PHE A 43 3.357 27.564 11.073 1.00 53.43 C ATOM 669 CE2 PHE A 43 3.598 28.959 9.146 1.00 3.42 C ATOM 670 CZ PHE A 43 4.161 28.153 10.117 1.00 53.25 C ATOM 0 H PHE A 43 -2.464 29.334 9.632 1.00 23.24 H new ATOM 0 HA PHE A 43 -0.091 29.448 8.016 1.00 24.51 H new ATOM 0 HB2 PHE A 43 -0.276 29.796 10.535 1.00 32.13 H new ATOM 0 HB3 PHE A 43 -0.554 28.073 10.689 1.00 32.13 H new ATOM 0 HD1 PHE A 43 1.368 27.323 11.807 1.00 43.31 H new ATOM 0 HD2 PHE A 43 1.799 29.810 8.376 1.00 65.02 H new ATOM 0 HE1 PHE A 43 3.794 26.932 11.832 1.00 53.43 H new ATOM 0 HE2 PHE A 43 4.224 29.418 8.395 1.00 3.42 H new ATOM 0 HZ PHE A 43 5.228 27.984 10.128 1.00 53.25 H new ATOM 680 N ALA A 44 -1.427 26.497 8.717 1.00 73.24 N ATOM 681 CA ALA A 44 -1.485 25.107 8.282 1.00 73.32 C ATOM 682 C ALA A 44 -2.129 24.989 6.904 1.00 23.23 C ATOM 683 O ALA A 44 -1.611 24.302 6.022 1.00 3.35 O ATOM 684 CB ALA A 44 -2.248 24.268 9.296 1.00 32.24 C ATOM 0 H ALA A 44 -2.034 26.718 9.506 1.00 73.24 H new ATOM 0 HA ALA A 44 -0.464 24.732 8.211 1.00 73.32 H new ATOM 0 HB1 ALA A 44 -2.283 23.232 8.958 1.00 32.24 H new ATOM 0 HB2 ALA A 44 -1.745 24.318 10.262 1.00 32.24 H new ATOM 0 HB3 ALA A 44 -3.263 24.652 9.396 1.00 32.24 H new ATOM 690 N LEU A 45 -3.260 25.661 6.726 1.00 53.33 N ATOM 691 CA LEU A 45 -3.976 25.631 5.455 1.00 44.54 C ATOM 692 C LEU A 45 -3.021 25.858 4.287 1.00 64.21 C ATOM 693 O LEU A 45 -2.909 25.020 3.392 1.00 25.42 O ATOM 694 CB LEU A 45 -5.076 26.694 5.441 1.00 34.52 C ATOM 695 CG LEU A 45 -5.428 27.279 4.073 1.00 64.00 C ATOM 696 CD1 LEU A 45 -5.811 26.173 3.102 1.00 52.32 C ATOM 697 CD2 LEU A 45 -6.554 28.294 4.200 1.00 11.04 C ATOM 0 H LEU A 45 -3.702 26.234 7.445 1.00 53.33 H new ATOM 0 HA LEU A 45 -4.429 24.646 5.345 1.00 44.54 H new ATOM 0 HB2 LEU A 45 -5.978 26.260 5.871 1.00 34.52 H new ATOM 0 HB3 LEU A 45 -4.772 27.511 6.096 1.00 34.52 H new ATOM 0 HG LEU A 45 -4.549 27.790 3.681 1.00 64.00 H new ATOM 0 HD11 LEU A 45 -6.058 26.608 2.134 1.00 52.32 H new ATOM 0 HD12 LEU A 45 -4.974 25.484 2.987 1.00 52.32 H new ATOM 0 HD13 LEU A 45 -6.675 25.633 3.488 1.00 52.32 H new ATOM 0 HD21 LEU A 45 -6.791 28.700 3.216 1.00 11.04 H new ATOM 0 HD22 LEU A 45 -7.437 27.808 4.614 1.00 11.04 H new ATOM 0 HD23 LEU A 45 -6.242 29.103 4.861 1.00 11.04 H new ATOM 709 N ASP A 46 -2.333 26.994 4.304 1.00 51.34 N ATOM 710 CA ASP A 46 -1.385 27.330 3.248 1.00 64.31 C ATOM 711 C ASP A 46 -0.425 26.172 2.992 1.00 43.01 C ATOM 712 O ASP A 46 -0.233 25.751 1.851 1.00 54.33 O ATOM 713 CB ASP A 46 -0.598 28.588 3.620 1.00 32.32 C ATOM 714 CG ASP A 46 -0.410 29.523 2.442 1.00 61.42 C ATOM 715 OD1 ASP A 46 -1.157 30.519 2.349 1.00 1.45 O ATOM 716 OD2 ASP A 46 0.485 29.258 1.612 1.00 0.12 O ATOM 0 H ASP A 46 -2.414 27.698 5.038 1.00 51.34 H new ATOM 0 HA ASP A 46 -1.949 27.521 2.335 1.00 64.31 H new ATOM 0 HB2 ASP A 46 -1.119 29.116 4.419 1.00 32.32 H new ATOM 0 HB3 ASP A 46 0.378 28.300 4.011 1.00 32.32 H new ATOM 721 N PHE A 47 0.177 25.662 4.061 1.00 24.20 N ATOM 722 CA PHE A 47 1.119 24.554 3.952 1.00 24.01 C ATOM 723 C PHE A 47 0.466 23.349 3.282 1.00 64.33 C ATOM 724 O PHE A 47 0.929 22.876 2.243 1.00 14.52 O ATOM 725 CB PHE A 47 1.640 24.162 5.336 1.00 24.32 C ATOM 726 CG PHE A 47 3.056 24.595 5.589 1.00 41.41 C ATOM 727 CD1 PHE A 47 4.076 24.211 4.733 1.00 54.53 C ATOM 728 CD2 PHE A 47 3.367 25.387 6.683 1.00 64.41 C ATOM 729 CE1 PHE A 47 5.379 24.609 4.962 1.00 3.11 C ATOM 730 CE2 PHE A 47 4.669 25.788 6.917 1.00 21.31 C ATOM 731 CZ PHE A 47 5.676 25.397 6.056 1.00 5.54 C ATOM 0 H PHE A 47 0.029 25.998 5.013 1.00 24.20 H new ATOM 0 HA PHE A 47 1.956 24.881 3.335 1.00 24.01 H new ATOM 0 HB2 PHE A 47 0.993 24.600 6.096 1.00 24.32 H new ATOM 0 HB3 PHE A 47 1.574 23.080 5.447 1.00 24.32 H new ATOM 0 HD1 PHE A 47 3.850 23.593 3.877 1.00 54.53 H new ATOM 0 HD2 PHE A 47 2.584 25.694 7.360 1.00 64.41 H new ATOM 0 HE1 PHE A 47 6.164 24.304 4.286 1.00 3.11 H new ATOM 0 HE2 PHE A 47 4.899 26.406 7.772 1.00 21.31 H new ATOM 0 HZ PHE A 47 6.694 25.707 6.238 1.00 5.54 H new ATOM 741 N SER A 48 -0.611 22.856 3.884 1.00 30.22 N ATOM 742 CA SER A 48 -1.326 21.703 3.349 1.00 21.00 C ATOM 743 C SER A 48 -1.672 21.913 1.878 1.00 11.41 C ATOM 744 O SER A 48 -1.499 21.016 1.054 1.00 64.42 O ATOM 745 CB SER A 48 -2.602 21.449 4.154 1.00 60.13 C ATOM 746 OG SER A 48 -3.024 20.102 4.029 1.00 24.35 O ATOM 0 H SER A 48 -1.008 23.237 4.743 1.00 30.22 H new ATOM 0 HA SER A 48 -0.675 20.833 3.430 1.00 21.00 H new ATOM 0 HB2 SER A 48 -2.426 21.682 5.204 1.00 60.13 H new ATOM 0 HB3 SER A 48 -3.393 22.115 3.808 1.00 60.13 H new ATOM 0 HG SER A 48 -3.840 19.965 4.554 1.00 24.35 H new ATOM 752 N ARG A 49 -2.163 23.106 1.557 1.00 43.00 N ATOM 753 CA ARG A 49 -2.535 23.435 0.186 1.00 1.24 C ATOM 754 C ARG A 49 -1.472 22.953 -0.796 1.00 60.24 C ATOM 755 O ARG A 49 -1.790 22.362 -1.828 1.00 41.30 O ATOM 756 CB ARG A 49 -2.734 24.945 0.038 1.00 34.30 C ATOM 757 CG ARG A 49 -3.446 25.342 -1.245 1.00 31.21 C ATOM 758 CD ARG A 49 -3.085 26.757 -1.667 1.00 43.23 C ATOM 759 NE ARG A 49 -3.474 27.033 -3.048 1.00 23.33 N ATOM 760 CZ ARG A 49 -2.837 26.538 -4.103 1.00 60.13 C ATOM 761 NH1 ARG A 49 -1.787 25.746 -3.937 1.00 45.20 N ATOM 762 NH2 ARG A 49 -3.251 26.834 -5.329 1.00 12.44 N ATOM 0 H ARG A 49 -2.312 23.860 2.227 1.00 43.00 H new ATOM 0 HA ARG A 49 -3.472 22.927 -0.042 1.00 1.24 H new ATOM 0 HB2 ARG A 49 -3.306 25.313 0.890 1.00 34.30 H new ATOM 0 HB3 ARG A 49 -1.762 25.436 0.071 1.00 34.30 H new ATOM 0 HG2 ARG A 49 -3.181 24.645 -2.040 1.00 31.21 H new ATOM 0 HG3 ARG A 49 -4.524 25.268 -1.102 1.00 31.21 H new ATOM 0 HD2 ARG A 49 -3.575 27.469 -1.003 1.00 43.23 H new ATOM 0 HD3 ARG A 49 -2.011 26.905 -1.557 1.00 43.23 H new ATOM 0 HE ARG A 49 -4.278 27.639 -3.211 1.00 23.33 H new ATOM 0 HH11 ARG A 49 -1.466 25.515 -2.997 1.00 45.20 H new ATOM 0 HH12 ARG A 49 -1.300 25.368 -4.749 1.00 45.20 H new ATOM 0 HH21 ARG A 49 -4.059 27.442 -5.461 1.00 12.44 H new ATOM 0 HH22 ARG A 49 -2.761 26.453 -6.139 1.00 12.44 H new ATOM 776 N GLU A 50 -0.210 23.210 -0.468 1.00 64.32 N ATOM 777 CA GLU A 50 0.899 22.803 -1.323 1.00 63.41 C ATOM 778 C GLU A 50 1.199 21.316 -1.154 1.00 62.12 C ATOM 779 O GLU A 50 1.592 20.638 -2.104 1.00 2.01 O ATOM 780 CB GLU A 50 2.149 23.626 -1.002 1.00 74.23 C ATOM 781 CG GLU A 50 2.555 24.575 -2.117 1.00 12.10 C ATOM 782 CD GLU A 50 3.998 25.027 -2.001 1.00 55.25 C ATOM 783 OE1 GLU A 50 4.770 24.794 -2.955 1.00 32.31 O ATOM 784 OE2 GLU A 50 4.354 25.614 -0.959 1.00 24.34 O ATOM 0 H GLU A 50 0.070 23.698 0.383 1.00 64.32 H new ATOM 0 HA GLU A 50 0.610 22.983 -2.359 1.00 63.41 H new ATOM 0 HB2 GLU A 50 1.972 24.201 -0.093 1.00 74.23 H new ATOM 0 HB3 GLU A 50 2.977 22.948 -0.794 1.00 74.23 H new ATOM 0 HG2 GLU A 50 2.408 24.084 -3.079 1.00 12.10 H new ATOM 0 HG3 GLU A 50 1.902 25.448 -2.102 1.00 12.10 H new ATOM 791 N LYS A 51 1.011 20.815 0.062 1.00 5.11 N ATOM 792 CA LYS A 51 1.260 19.409 0.358 1.00 45.21 C ATOM 793 C LYS A 51 0.331 18.510 -0.451 1.00 11.11 C ATOM 794 O LYS A 51 0.667 17.366 -0.756 1.00 22.42 O ATOM 795 CB LYS A 51 1.074 19.141 1.853 1.00 72.41 C ATOM 796 CG LYS A 51 -0.286 18.561 2.202 1.00 53.24 C ATOM 797 CD LYS A 51 -0.279 17.043 2.135 1.00 13.13 C ATOM 798 CE LYS A 51 -1.632 16.498 1.705 1.00 74.20 C ATOM 799 NZ LYS A 51 -1.592 15.026 1.484 1.00 34.31 N ATOM 0 H LYS A 51 0.687 21.362 0.859 1.00 5.11 H new ATOM 0 HA LYS A 51 2.289 19.181 0.080 1.00 45.21 H new ATOM 0 HB2 LYS A 51 1.850 18.454 2.190 1.00 72.41 H new ATOM 0 HB3 LYS A 51 1.214 20.073 2.401 1.00 72.41 H new ATOM 0 HG2 LYS A 51 -0.572 18.880 3.204 1.00 53.24 H new ATOM 0 HG3 LYS A 51 -1.037 18.953 1.516 1.00 53.24 H new ATOM 0 HD2 LYS A 51 0.487 16.712 1.434 1.00 13.13 H new ATOM 0 HD3 LYS A 51 -0.015 16.636 3.111 1.00 13.13 H new ATOM 0 HE2 LYS A 51 -2.376 16.731 2.467 1.00 74.20 H new ATOM 0 HE3 LYS A 51 -1.949 16.995 0.788 1.00 74.20 H new ATOM 0 HZ1 LYS A 51 -2.533 14.693 1.192 1.00 34.31 H new ATOM 0 HZ2 LYS A 51 -0.900 14.805 0.739 1.00 34.31 H new ATOM 0 HZ3 LYS A 51 -1.315 14.550 2.366 1.00 34.31 H new ATOM 813 N LYS A 52 -0.839 19.035 -0.797 1.00 15.41 N ATOM 814 CA LYS A 52 -1.817 18.282 -1.573 1.00 53.10 C ATOM 815 C LYS A 52 -1.428 18.242 -3.047 1.00 65.32 C ATOM 816 O LYS A 52 -1.334 17.169 -3.646 1.00 1.30 O ATOM 817 CB LYS A 52 -3.208 18.902 -1.419 1.00 71.11 C ATOM 818 CG LYS A 52 -4.244 18.313 -2.361 1.00 41.53 C ATOM 819 CD LYS A 52 -4.503 16.847 -2.059 1.00 55.11 C ATOM 820 CE LYS A 52 -5.720 16.330 -2.811 1.00 32.10 C ATOM 821 NZ LYS A 52 -6.468 15.312 -2.023 1.00 21.44 N ATOM 0 H LYS A 52 -1.133 19.980 -0.552 1.00 15.41 H new ATOM 0 HA LYS A 52 -1.837 17.261 -1.192 1.00 53.10 H new ATOM 0 HB2 LYS A 52 -3.545 18.767 -0.391 1.00 71.11 H new ATOM 0 HB3 LYS A 52 -3.139 19.976 -1.593 1.00 71.11 H new ATOM 0 HG2 LYS A 52 -5.175 18.873 -2.275 1.00 41.53 H new ATOM 0 HG3 LYS A 52 -3.902 18.418 -3.391 1.00 41.53 H new ATOM 0 HD2 LYS A 52 -3.628 16.258 -2.332 1.00 55.11 H new ATOM 0 HD3 LYS A 52 -4.653 16.716 -0.987 1.00 55.11 H new ATOM 0 HE2 LYS A 52 -6.381 17.163 -3.048 1.00 32.10 H new ATOM 0 HE3 LYS A 52 -5.403 15.895 -3.759 1.00 32.10 H new ATOM 0 HZ1 LYS A 52 -7.290 14.985 -2.570 1.00 21.44 H new ATOM 0 HZ2 LYS A 52 -5.845 14.505 -1.818 1.00 21.44 H new ATOM 0 HZ3 LYS A 52 -6.793 15.734 -1.130 1.00 21.44 H new ATOM 835 N LEU A 53 -1.200 19.415 -3.626 1.00 50.35 N ATOM 836 CA LEU A 53 -0.818 19.514 -5.031 1.00 73.00 C ATOM 837 C LEU A 53 0.378 18.617 -5.335 1.00 12.44 C ATOM 838 O LEU A 53 0.562 18.172 -6.468 1.00 53.12 O ATOM 839 CB LEU A 53 -0.487 20.964 -5.389 1.00 74.23 C ATOM 840 CG LEU A 53 -0.011 21.209 -6.821 1.00 44.33 C ATOM 841 CD1 LEU A 53 -0.436 22.590 -7.296 1.00 70.02 C ATOM 842 CD2 LEU A 53 1.500 21.053 -6.914 1.00 42.35 C ATOM 0 H LEU A 53 -1.273 20.311 -3.145 1.00 50.35 H new ATOM 0 HA LEU A 53 -1.661 19.181 -5.636 1.00 73.00 H new ATOM 0 HB2 LEU A 53 -1.374 21.572 -5.213 1.00 74.23 H new ATOM 0 HB3 LEU A 53 0.284 21.319 -4.705 1.00 74.23 H new ATOM 0 HG LEU A 53 -0.474 20.466 -7.470 1.00 44.33 H new ATOM 0 HD11 LEU A 53 -0.088 22.746 -8.317 1.00 70.02 H new ATOM 0 HD12 LEU A 53 -1.523 22.666 -7.267 1.00 70.02 H new ATOM 0 HD13 LEU A 53 -0.002 23.348 -6.645 1.00 70.02 H new ATOM 0 HD21 LEU A 53 1.822 21.231 -7.940 1.00 42.35 H new ATOM 0 HD22 LEU A 53 1.982 21.773 -6.253 1.00 42.35 H new ATOM 0 HD23 LEU A 53 1.781 20.043 -6.616 1.00 42.35 H new ATOM 854 N LEU A 54 1.187 18.355 -4.315 1.00 23.33 N ATOM 855 CA LEU A 54 2.365 17.509 -4.471 1.00 64.42 C ATOM 856 C LEU A 54 1.966 16.048 -4.653 1.00 24.45 C ATOM 857 O LEU A 54 2.270 15.434 -5.675 1.00 40.20 O ATOM 858 CB LEU A 54 3.285 17.651 -3.257 1.00 50.21 C ATOM 859 CG LEU A 54 4.502 16.726 -3.224 1.00 74.53 C ATOM 860 CD1 LEU A 54 5.647 17.377 -2.465 1.00 64.33 C ATOM 861 CD2 LEU A 54 4.137 15.387 -2.598 1.00 51.40 C ATOM 0 H LEU A 54 1.049 18.716 -3.371 1.00 23.33 H new ATOM 0 HA LEU A 54 2.899 17.835 -5.363 1.00 64.42 H new ATOM 0 HB2 LEU A 54 3.636 18.682 -3.211 1.00 50.21 H new ATOM 0 HB3 LEU A 54 2.696 17.475 -2.357 1.00 50.21 H new ATOM 0 HG LEU A 54 4.828 16.549 -4.249 1.00 74.53 H new ATOM 0 HD11 LEU A 54 6.504 16.704 -2.452 1.00 64.33 H new ATOM 0 HD12 LEU A 54 5.925 18.310 -2.956 1.00 64.33 H new ATOM 0 HD13 LEU A 54 5.334 17.585 -1.442 1.00 64.33 H new ATOM 0 HD21 LEU A 54 5.015 14.741 -2.583 1.00 51.40 H new ATOM 0 HD22 LEU A 54 3.785 15.546 -1.579 1.00 51.40 H new ATOM 0 HD23 LEU A 54 3.349 14.914 -3.184 1.00 51.40 H new ATOM 873 N GLU A 55 1.283 15.498 -3.654 1.00 33.13 N ATOM 874 CA GLU A 55 0.841 14.109 -3.705 1.00 0.13 C ATOM 875 C GLU A 55 -0.153 13.896 -4.843 1.00 23.41 C ATOM 876 O GLU A 55 0.034 13.019 -5.688 1.00 33.25 O ATOM 877 CB GLU A 55 0.204 13.704 -2.374 1.00 13.32 C ATOM 878 CG GLU A 55 0.494 12.268 -1.972 1.00 75.22 C ATOM 879 CD GLU A 55 -0.743 11.536 -1.488 1.00 55.50 C ATOM 880 OE1 GLU A 55 -1.791 11.635 -2.161 1.00 33.14 O ATOM 881 OE2 GLU A 55 -0.664 10.866 -0.437 1.00 52.54 O ATOM 0 H GLU A 55 1.024 15.992 -2.800 1.00 33.13 H new ATOM 0 HA GLU A 55 1.715 13.483 -3.887 1.00 0.13 H new ATOM 0 HB2 GLU A 55 0.564 14.371 -1.591 1.00 13.32 H new ATOM 0 HB3 GLU A 55 -0.875 13.843 -2.440 1.00 13.32 H new ATOM 0 HG2 GLU A 55 0.917 11.735 -2.823 1.00 75.22 H new ATOM 0 HG3 GLU A 55 1.248 12.260 -1.184 1.00 75.22 H new ATOM 888 N CYS A 56 -1.208 14.702 -4.858 1.00 0.22 N ATOM 889 CA CYS A 56 -2.233 14.601 -5.891 1.00 3.50 C ATOM 890 C CYS A 56 -2.144 15.775 -6.861 1.00 62.11 C ATOM 891 O CYS A 56 -1.831 16.899 -6.466 1.00 64.20 O ATOM 892 CB CYS A 56 -3.623 14.553 -5.256 1.00 53.02 C ATOM 893 SG CYS A 56 -4.788 13.466 -6.112 1.00 2.13 S ATOM 0 H CYS A 56 -1.377 15.433 -4.167 1.00 0.22 H new ATOM 0 HA CYS A 56 -2.064 13.679 -6.448 1.00 3.50 H new ATOM 0 HB2 CYS A 56 -3.527 14.223 -4.222 1.00 53.02 H new ATOM 0 HB3 CYS A 56 -4.035 15.562 -5.232 1.00 53.02 H new ATOM 0 HG CYS A 56 -5.934 13.490 -5.500 1.00 2.13 H new ATOM 899 N LEU A 57 -2.420 15.507 -8.133 1.00 24.44 N ATOM 900 CA LEU A 57 -2.369 16.540 -9.161 1.00 14.10 C ATOM 901 C LEU A 57 -3.761 17.098 -9.441 1.00 72.53 C ATOM 902 O LEU A 57 -4.717 16.796 -8.727 1.00 32.34 O ATOM 903 CB LEU A 57 -1.764 15.977 -10.448 1.00 51.42 C ATOM 904 CG LEU A 57 -0.605 16.774 -11.049 1.00 20.52 C ATOM 905 CD1 LEU A 57 0.707 16.027 -10.864 1.00 43.33 C ATOM 906 CD2 LEU A 57 -0.858 17.055 -12.523 1.00 31.42 C ATOM 0 H LEU A 57 -2.681 14.583 -8.477 1.00 24.44 H new ATOM 0 HA LEU A 57 -1.739 17.351 -8.796 1.00 14.10 H new ATOM 0 HB2 LEU A 57 -1.417 14.963 -10.250 1.00 51.42 H new ATOM 0 HB3 LEU A 57 -2.554 15.903 -11.195 1.00 51.42 H new ATOM 0 HG LEU A 57 -0.534 17.728 -10.526 1.00 20.52 H new ATOM 0 HD11 LEU A 57 1.521 16.608 -11.297 1.00 43.33 H new ATOM 0 HD12 LEU A 57 0.894 15.878 -9.801 1.00 43.33 H new ATOM 0 HD13 LEU A 57 0.648 15.059 -11.361 1.00 43.33 H new ATOM 0 HD21 LEU A 57 -0.023 17.623 -12.934 1.00 31.42 H new ATOM 0 HD22 LEU A 57 -0.956 16.112 -13.062 1.00 31.42 H new ATOM 0 HD23 LEU A 57 -1.777 17.631 -12.631 1.00 31.42 H new ATOM 918 N ASP A 58 -3.868 17.910 -10.487 1.00 2.23 N ATOM 919 CA ASP A 58 -5.144 18.507 -10.864 1.00 44.30 C ATOM 920 C ASP A 58 -5.659 19.429 -9.763 1.00 33.52 C ATOM 921 O ASP A 58 -6.794 19.292 -9.306 1.00 75.21 O ATOM 922 CB ASP A 58 -6.175 17.416 -11.158 1.00 4.42 C ATOM 923 CG ASP A 58 -7.246 17.878 -12.126 1.00 63.25 C ATOM 924 OD1 ASP A 58 -7.033 17.753 -13.351 1.00 25.21 O ATOM 925 OD2 ASP A 58 -8.297 18.363 -11.660 1.00 74.03 O ATOM 0 H ASP A 58 -3.087 18.170 -11.089 1.00 2.23 H new ATOM 0 HA ASP A 58 -4.988 19.100 -11.765 1.00 44.30 H new ATOM 0 HB2 ASP A 58 -5.669 16.543 -11.570 1.00 4.42 H new ATOM 0 HB3 ASP A 58 -6.643 17.102 -10.225 1.00 4.42 H new ATOM 930 N TYR A 59 -4.818 20.365 -9.340 1.00 42.43 N ATOM 931 CA TYR A 59 -5.187 21.307 -8.290 1.00 51.11 C ATOM 932 C TYR A 59 -5.660 20.571 -7.040 1.00 53.13 C ATOM 933 O TYR A 59 -5.550 19.348 -6.946 1.00 62.12 O ATOM 934 CB TYR A 59 -6.284 22.251 -8.785 1.00 42.43 C ATOM 935 CG TYR A 59 -5.950 23.715 -8.604 1.00 32.15 C ATOM 936 CD1 TYR A 59 -4.975 24.327 -9.381 1.00 64.21 C ATOM 937 CD2 TYR A 59 -6.610 24.485 -7.654 1.00 4.50 C ATOM 938 CE1 TYR A 59 -4.666 25.664 -9.218 1.00 62.52 C ATOM 939 CE2 TYR A 59 -6.308 25.823 -7.485 1.00 54.02 C ATOM 940 CZ TYR A 59 -5.336 26.407 -8.269 1.00 42.44 C ATOM 941 OH TYR A 59 -5.032 27.739 -8.103 1.00 41.24 O ATOM 0 H TYR A 59 -3.875 20.492 -9.708 1.00 42.43 H new ATOM 0 HA TYR A 59 -4.303 21.891 -8.034 1.00 51.11 H new ATOM 0 HB2 TYR A 59 -6.469 22.057 -9.842 1.00 42.43 H new ATOM 0 HB3 TYR A 59 -7.209 22.030 -8.253 1.00 42.43 H new ATOM 0 HD1 TYR A 59 -4.449 23.748 -10.126 1.00 64.21 H new ATOM 0 HD2 TYR A 59 -7.371 24.030 -7.038 1.00 4.50 H new ATOM 0 HE1 TYR A 59 -3.904 26.124 -9.830 1.00 62.52 H new ATOM 0 HE2 TYR A 59 -6.831 26.408 -6.743 1.00 54.02 H new ATOM 0 HH TYR A 59 -5.595 28.117 -7.395 1.00 41.24 H new ATOM 951 N LEU A 60 -6.188 21.325 -6.082 1.00 74.04 N ATOM 952 CA LEU A 60 -6.680 20.746 -4.837 1.00 12.10 C ATOM 953 C LEU A 60 -7.680 19.628 -5.114 1.00 30.13 C ATOM 954 O LEU A 60 -8.655 19.458 -4.382 1.00 11.00 O ATOM 955 CB LEU A 60 -7.332 21.826 -3.972 1.00 53.21 C ATOM 956 CG LEU A 60 -6.380 22.832 -3.323 1.00 75.31 C ATOM 957 CD1 LEU A 60 -6.538 24.204 -3.960 1.00 31.31 C ATOM 958 CD2 LEU A 60 -6.626 22.907 -1.823 1.00 64.41 C ATOM 0 H LEU A 60 -6.286 22.338 -6.144 1.00 74.04 H new ATOM 0 HA LEU A 60 -5.830 20.324 -4.301 1.00 12.10 H new ATOM 0 HB2 LEU A 60 -8.044 22.375 -4.588 1.00 53.21 H new ATOM 0 HB3 LEU A 60 -7.903 21.336 -3.184 1.00 53.21 H new ATOM 0 HG LEU A 60 -5.357 22.494 -3.487 1.00 75.31 H new ATOM 0 HD11 LEU A 60 -5.853 24.907 -3.486 1.00 31.31 H new ATOM 0 HD12 LEU A 60 -6.312 24.139 -5.024 1.00 31.31 H new ATOM 0 HD13 LEU A 60 -7.563 24.551 -3.827 1.00 31.31 H new ATOM 0 HD21 LEU A 60 -5.940 23.627 -1.377 1.00 64.41 H new ATOM 0 HD22 LEU A 60 -7.653 23.222 -1.638 1.00 64.41 H new ATOM 0 HD23 LEU A 60 -6.461 21.926 -1.378 1.00 64.41 H new TER 970 LEU A 60