USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 463 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 Set 1.1: A 10 GLN : amide:sc= -20.9! C(o=-21!,f=-21!) USER MOD Set 1.2: A 42 SER OG : rot -173:sc= -0.294! USER MOD Set 2.1: A 24 ASN : amide:sc= -4.84! C(o=-13!,f=-21!) USER MOD Set 2.2: A 27 GLN : amide:sc= -8.38! C(o=-13!,f=-21!) USER MOD Set 3.1: A 22 ASN :FLIP amide:sc= -4.25! C(o=-18!,f=-13!) USER MOD Set 3.2: A 53 ASN : amide:sc= -8.9! C(o=-13!,f=-25!) USER MOD Single : A 1 THR N :NH3+ -133:sc= 0.619 (180deg=0.068) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -2.08! C(o=-4.3!,f=-2.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 12 ASN : amide:sc= -5.61! C(o=-5.6!,f=-6.1!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-0.91) USER MOD Single : A 29 ASN : amide:sc= -0.0882 K(o=-0.088,f=-0.96) USER MOD Single : A 33 GLN : amide:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -1.03 USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= -0.652 (180deg=-3.32!) USER MOD Single : A 40 SER OG : rot 61:sc= 0.926! USER MOD Single : A 41 GLN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= -0.613 (180deg=-1.51!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0463 F(o=-1.7,f=-0.046) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 19.033 -6.849 8.980 1.00 1.00 N ATOM 2 CA THR A 1 19.067 -8.128 8.232 1.00 1.00 C ATOM 3 C THR A 1 18.833 -7.871 6.748 1.00 1.00 C ATOM 4 O THR A 1 19.639 -8.245 5.919 1.00 1.00 O ATOM 5 CB THR A 1 17.967 -9.060 8.743 1.00 1.00 C ATOM 6 OG1 THR A 1 16.982 -8.208 9.294 1.00 1.00 O ATOM 7 CG2 THR A 1 18.466 -9.893 9.932 1.00 1.00 C ATOM 0 H1 THR A 1 19.846 -6.803 9.627 1.00 1.00 H new ATOM 0 H2 THR A 1 19.078 -6.054 8.311 1.00 1.00 H new ATOM 0 H3 THR A 1 18.151 -6.791 9.528 1.00 1.00 H new ATOM 0 HA THR A 1 20.044 -8.589 8.379 1.00 1.00 H new ATOM 0 HB THR A 1 17.629 -9.710 7.936 1.00 1.00 H new ATOM 0 HG1 THR A 1 16.241 -8.747 9.641 1.00 1.00 H new ATOM 0 HG21 THR A 1 17.667 -10.548 10.278 1.00 1.00 H new ATOM 0 HG22 THR A 1 19.320 -10.495 9.622 1.00 1.00 H new ATOM 0 HG23 THR A 1 18.766 -9.228 10.742 1.00 1.00 H new ATOM 17 N ALA A 2 17.731 -7.235 6.441 1.00 1.00 N ATOM 18 CA ALA A 2 17.422 -6.942 5.014 1.00 1.00 C ATOM 19 C ALA A 2 17.761 -5.494 4.671 1.00 1.00 C ATOM 20 O ALA A 2 17.315 -4.976 3.667 1.00 1.00 O ATOM 21 CB ALA A 2 15.918 -7.162 4.791 1.00 1.00 C ATOM 0 H ALA A 2 17.037 -6.909 7.114 1.00 1.00 H new ATOM 0 HA ALA A 2 18.015 -7.600 4.379 1.00 1.00 H new ATOM 0 HB1 ALA A 2 15.670 -6.952 3.750 1.00 1.00 H new ATOM 0 HB2 ALA A 2 15.663 -8.196 5.024 1.00 1.00 H new ATOM 0 HB3 ALA A 2 15.352 -6.494 5.440 1.00 1.00 H new ATOM 27 N ASP A 3 18.538 -4.869 5.521 1.00 1.00 N ATOM 28 CA ASP A 3 18.931 -3.445 5.281 1.00 1.00 C ATOM 29 C ASP A 3 17.722 -2.503 5.380 1.00 1.00 C ATOM 30 O ASP A 3 17.875 -1.336 5.680 1.00 1.00 O ATOM 31 CB ASP A 3 19.558 -3.317 3.878 1.00 1.00 C ATOM 32 CG ASP A 3 20.471 -4.519 3.616 1.00 1.00 C ATOM 33 OD1 ASP A 3 20.893 -5.103 4.602 1.00 1.00 O ATOM 34 OD2 ASP A 3 20.700 -4.782 2.447 1.00 1.00 O ATOM 0 H ASP A 3 18.918 -5.284 6.372 1.00 1.00 H new ATOM 0 HA ASP A 3 19.651 -3.159 6.048 1.00 1.00 H new ATOM 0 HB2 ASP A 3 18.775 -3.269 3.121 1.00 1.00 H new ATOM 0 HB3 ASP A 3 20.128 -2.391 3.806 1.00 1.00 H new ATOM 39 N ASN A 4 16.546 -3.029 5.128 1.00 1.00 N ATOM 40 CA ASN A 4 15.325 -2.185 5.205 1.00 1.00 C ATOM 41 C ASN A 4 15.560 -0.799 4.617 1.00 1.00 C ATOM 42 O ASN A 4 15.903 0.126 5.327 1.00 1.00 O ATOM 43 CB ASN A 4 14.940 -2.032 6.681 1.00 1.00 C ATOM 44 CG ASN A 4 13.524 -1.460 6.778 1.00 1.00 C ATOM 45 OD1 ASN A 4 13.329 -0.262 6.842 1.00 1.00 O ATOM 46 ND2 ASN A 4 12.507 -2.280 6.792 1.00 1.00 N ATOM 0 H ASN A 4 16.386 -4.004 4.874 1.00 1.00 H new ATOM 0 HA ASN A 4 14.534 -2.667 4.631 1.00 1.00 H new ATOM 0 HB2 ASN A 4 14.990 -2.998 7.184 1.00 1.00 H new ATOM 0 HB3 ASN A 4 15.646 -1.373 7.186 1.00 1.00 H new ATOM 0 HD21 ASN A 4 11.557 -1.914 6.856 1.00 1.00 H new ATOM 0 HD22 ASN A 4 12.663 -3.287 6.739 1.00 1.00 H new ATOM 53 N LYS A 5 15.372 -0.684 3.328 1.00 1.00 N ATOM 54 CA LYS A 5 15.574 0.632 2.664 1.00 1.00 C ATOM 55 C LYS A 5 14.234 1.262 2.316 1.00 1.00 C ATOM 56 O LYS A 5 13.547 0.807 1.423 1.00 1.00 O ATOM 57 CB LYS A 5 16.372 0.403 1.362 1.00 1.00 C ATOM 58 CG LYS A 5 16.092 1.547 0.368 1.00 1.00 C ATOM 59 CD LYS A 5 17.229 1.610 -0.658 1.00 1.00 C ATOM 60 CE LYS A 5 16.923 2.705 -1.685 1.00 1.00 C ATOM 61 NZ LYS A 5 17.710 2.486 -2.931 1.00 1.00 N ATOM 0 H LYS A 5 15.088 -1.444 2.710 1.00 1.00 H new ATOM 0 HA LYS A 5 16.112 1.298 3.338 1.00 1.00 H new ATOM 0 HB2 LYS A 5 17.438 0.354 1.582 1.00 1.00 H new ATOM 0 HB3 LYS A 5 16.094 -0.553 0.918 1.00 1.00 H new ATOM 0 HG2 LYS A 5 15.140 1.382 -0.136 1.00 1.00 H new ATOM 0 HG3 LYS A 5 16.012 2.495 0.899 1.00 1.00 H new ATOM 0 HD2 LYS A 5 18.175 1.818 -0.158 1.00 1.00 H new ATOM 0 HD3 LYS A 5 17.338 0.647 -1.157 1.00 1.00 H new ATOM 0 HE2 LYS A 5 15.858 2.708 -1.916 1.00 1.00 H new ATOM 0 HE3 LYS A 5 17.160 3.682 -1.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 17.491 3.237 -3.616 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 18.726 2.506 -2.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 17.464 1.562 -3.339 1.00 1.00 H new ATOM 75 N PHE A 6 13.866 2.280 3.041 1.00 1.00 N ATOM 76 CA PHE A 6 12.575 2.937 2.739 1.00 1.00 C ATOM 77 C PHE A 6 12.459 4.282 3.430 1.00 1.00 C ATOM 78 O PHE A 6 12.723 4.416 4.608 1.00 1.00 O ATOM 79 CB PHE A 6 11.413 2.039 3.197 1.00 1.00 C ATOM 80 CG PHE A 6 11.007 1.078 2.072 1.00 1.00 C ATOM 81 CD1 PHE A 6 10.671 1.556 0.811 1.00 1.00 C ATOM 82 CD2 PHE A 6 10.947 -0.287 2.307 1.00 1.00 C ATOM 83 CE1 PHE A 6 10.292 0.696 -0.180 1.00 1.00 C ATOM 84 CE2 PHE A 6 10.559 -1.151 1.306 1.00 1.00 C ATOM 85 CZ PHE A 6 10.227 -0.662 0.062 1.00 1.00 C ATOM 0 H PHE A 6 14.396 2.677 3.816 1.00 1.00 H new ATOM 0 HA PHE A 6 12.529 3.096 1.662 1.00 1.00 H new ATOM 0 HB2 PHE A 6 11.709 1.472 4.080 1.00 1.00 H new ATOM 0 HB3 PHE A 6 10.560 2.654 3.484 1.00 1.00 H new ATOM 0 HD1 PHE A 6 10.710 2.617 0.613 1.00 1.00 H new ATOM 0 HD2 PHE A 6 11.206 -0.676 3.281 1.00 1.00 H new ATOM 0 HE1 PHE A 6 10.042 1.080 -1.158 1.00 1.00 H new ATOM 0 HE2 PHE A 6 10.515 -2.213 1.497 1.00 1.00 H new ATOM 0 HZ PHE A 6 9.917 -1.338 -0.721 1.00 1.00 H new ATOM 95 N ASN A 7 12.057 5.254 2.666 1.00 1.00 N ATOM 96 CA ASN A 7 11.906 6.620 3.210 1.00 1.00 C ATOM 97 C ASN A 7 10.915 7.425 2.388 1.00 1.00 C ATOM 98 O ASN A 7 10.165 8.210 2.924 1.00 1.00 O ATOM 99 CB ASN A 7 13.275 7.291 3.142 1.00 1.00 C ATOM 100 CG ASN A 7 14.151 6.477 2.198 1.00 1.00 C ATOM 101 OD1 ASN A 7 14.711 5.395 2.659 1.00 1.00 O flip ATOM 102 ND2 ASN A 7 14.332 6.813 1.045 1.00 1.00 N flip ATOM 0 H ASN A 7 11.825 5.156 1.678 1.00 1.00 H new ATOM 0 HA ASN A 7 11.534 6.571 4.233 1.00 1.00 H new ATOM 0 HB2 ASN A 7 13.180 8.316 2.785 1.00 1.00 H new ATOM 0 HB3 ASN A 7 13.725 7.340 4.133 1.00 1.00 H new ATOM 0 HD21 ASN A 7 13.893 7.661 0.686 1.00 1.00 H new ATOM 0 HD22 ASN A 7 14.923 6.248 0.436 1.00 1.00 H new ATOM 109 N LYS A 8 10.942 7.226 1.094 1.00 1.00 N ATOM 110 CA LYS A 8 9.997 7.975 0.220 1.00 1.00 C ATOM 111 C LYS A 8 8.554 7.736 0.654 1.00 1.00 C ATOM 112 O LYS A 8 7.837 6.967 0.047 1.00 1.00 O ATOM 113 CB LYS A 8 10.160 7.498 -1.228 1.00 1.00 C ATOM 114 CG LYS A 8 10.603 6.025 -1.247 1.00 1.00 C ATOM 115 CD LYS A 8 10.401 5.450 -2.663 1.00 1.00 C ATOM 116 CE LYS A 8 11.167 6.313 -3.666 1.00 1.00 C ATOM 117 NZ LYS A 8 11.473 5.530 -4.899 1.00 1.00 N ATOM 0 H LYS A 8 11.571 6.584 0.612 1.00 1.00 H new ATOM 0 HA LYS A 8 10.222 9.039 0.300 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.218 7.611 -1.765 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.897 8.115 -1.743 1.00 1.00 H new ATOM 0 HG2 LYS A 8 11.650 5.945 -0.955 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.025 5.450 -0.523 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.755 4.420 -2.705 1.00 1.00 H new ATOM 0 HD3 LYS A 8 9.341 5.433 -2.914 1.00 1.00 H new ATOM 0 HE2 LYS A 8 10.577 7.193 -3.923 1.00 1.00 H new ATOM 0 HE3 LYS A 8 12.093 6.670 -3.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 11.993 6.130 -5.571 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 12.054 4.704 -4.650 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 10.585 5.210 -5.336 1.00 1.00 H new ATOM 131 N GLU A 9 8.168 8.431 1.684 1.00 1.00 N ATOM 132 CA GLU A 9 6.782 8.294 2.224 1.00 1.00 C ATOM 133 C GLU A 9 6.282 6.853 2.128 1.00 1.00 C ATOM 134 O GLU A 9 5.096 6.607 2.090 1.00 1.00 O ATOM 135 CB GLU A 9 5.850 9.210 1.416 1.00 1.00 C ATOM 136 CG GLU A 9 5.935 10.626 1.987 1.00 1.00 C ATOM 137 CD GLU A 9 7.392 10.945 2.326 1.00 1.00 C ATOM 138 OE1 GLU A 9 8.166 10.999 1.385 1.00 1.00 O ATOM 139 OE2 GLU A 9 7.649 11.115 3.508 1.00 1.00 O ATOM 0 H GLU A 9 8.758 9.097 2.183 1.00 1.00 H new ATOM 0 HA GLU A 9 6.789 8.576 3.277 1.00 1.00 H new ATOM 0 HB2 GLU A 9 6.138 9.209 0.365 1.00 1.00 H new ATOM 0 HB3 GLU A 9 4.825 8.844 1.466 1.00 1.00 H new ATOM 0 HG2 GLU A 9 5.551 11.346 1.264 1.00 1.00 H new ATOM 0 HG3 GLU A 9 5.315 10.709 2.880 1.00 1.00 H new ATOM 146 N GLN A 10 7.200 5.926 2.100 1.00 1.00 N ATOM 147 CA GLN A 10 6.789 4.506 2.006 1.00 1.00 C ATOM 148 C GLN A 10 6.608 3.901 3.393 1.00 1.00 C ATOM 149 O GLN A 10 5.687 3.147 3.627 1.00 1.00 O ATOM 150 CB GLN A 10 7.886 3.727 1.262 1.00 1.00 C ATOM 151 CG GLN A 10 7.393 2.301 0.963 1.00 1.00 C ATOM 152 CD GLN A 10 8.048 1.302 1.926 1.00 1.00 C ATOM 153 OE1 GLN A 10 8.266 0.157 1.591 1.00 1.00 O ATOM 154 NE2 GLN A 10 8.373 1.689 3.131 1.00 1.00 N ATOM 0 H GLN A 10 8.206 6.092 2.138 1.00 1.00 H new ATOM 0 HA GLN A 10 5.840 4.446 1.473 1.00 1.00 H new ATOM 0 HB2 GLN A 10 8.142 4.237 0.333 1.00 1.00 H new ATOM 0 HB3 GLN A 10 8.793 3.690 1.865 1.00 1.00 H new ATOM 0 HG2 GLN A 10 6.308 2.255 1.062 1.00 1.00 H new ATOM 0 HG3 GLN A 10 7.631 2.034 -0.067 1.00 1.00 H new ATOM 0 HE21 GLN A 10 8.194 2.650 3.424 1.00 1.00 H new ATOM 0 HE22 GLN A 10 8.805 1.030 3.779 1.00 1.00 H new ATOM 163 N GLN A 11 7.495 4.242 4.289 1.00 1.00 N ATOM 164 CA GLN A 11 7.384 3.695 5.661 1.00 1.00 C ATOM 165 C GLN A 11 6.000 3.987 6.245 1.00 1.00 C ATOM 166 O GLN A 11 5.229 3.079 6.534 1.00 1.00 O ATOM 167 CB GLN A 11 8.450 4.374 6.555 1.00 1.00 C ATOM 168 CG GLN A 11 9.835 4.329 5.869 1.00 1.00 C ATOM 169 CD GLN A 11 10.898 4.845 6.845 1.00 1.00 C ATOM 170 OE1 GLN A 11 10.972 6.026 7.131 1.00 1.00 O ATOM 171 NE2 GLN A 11 11.739 3.999 7.376 1.00 1.00 N ATOM 0 H GLN A 11 8.282 4.870 4.128 1.00 1.00 H new ATOM 0 HA GLN A 11 7.536 2.616 5.626 1.00 1.00 H new ATOM 0 HB2 GLN A 11 8.166 5.408 6.749 1.00 1.00 H new ATOM 0 HB3 GLN A 11 8.499 3.871 7.521 1.00 1.00 H new ATOM 0 HG2 GLN A 11 10.070 3.309 5.563 1.00 1.00 H new ATOM 0 HG3 GLN A 11 9.827 4.939 4.966 1.00 1.00 H new ATOM 0 HE21 GLN A 11 11.683 3.008 7.141 1.00 1.00 H new ATOM 0 HE22 GLN A 11 12.452 4.329 8.026 1.00 1.00 H new ATOM 180 N ASN A 12 5.705 5.249 6.392 1.00 1.00 N ATOM 181 CA ASN A 12 4.387 5.632 6.952 1.00 1.00 C ATOM 182 C ASN A 12 3.248 5.074 6.111 1.00 1.00 C ATOM 183 O ASN A 12 2.274 4.578 6.639 1.00 1.00 O ATOM 184 CB ASN A 12 4.296 7.166 6.964 1.00 1.00 C ATOM 185 CG ASN A 12 4.621 7.709 5.571 1.00 1.00 C ATOM 186 OD1 ASN A 12 5.690 8.235 5.333 1.00 1.00 O ATOM 187 ND2 ASN A 12 3.729 7.603 4.626 1.00 1.00 N ATOM 0 H ASN A 12 6.319 6.026 6.149 1.00 1.00 H new ATOM 0 HA ASN A 12 4.298 5.225 7.959 1.00 1.00 H new ATOM 0 HB2 ASN A 12 3.296 7.479 7.263 1.00 1.00 H new ATOM 0 HB3 ASN A 12 4.991 7.576 7.697 1.00 1.00 H new ATOM 0 HD21 ASN A 12 3.930 7.961 3.692 1.00 1.00 H new ATOM 0 HD22 ASN A 12 2.830 7.162 4.820 1.00 1.00 H new ATOM 194 N ALA A 13 3.386 5.162 4.819 1.00 1.00 N ATOM 195 CA ALA A 13 2.313 4.637 3.943 1.00 1.00 C ATOM 196 C ALA A 13 2.051 3.170 4.242 1.00 1.00 C ATOM 197 O ALA A 13 0.954 2.805 4.608 1.00 1.00 O ATOM 198 CB ALA A 13 2.760 4.770 2.496 1.00 1.00 C ATOM 0 H ALA A 13 4.188 5.571 4.339 1.00 1.00 H new ATOM 0 HA ALA A 13 1.398 5.203 4.120 1.00 1.00 H new ATOM 0 HB1 ALA A 13 1.980 4.387 1.838 1.00 1.00 H new ATOM 0 HB2 ALA A 13 2.945 5.820 2.267 1.00 1.00 H new ATOM 0 HB3 ALA A 13 3.676 4.199 2.344 1.00 1.00 H new ATOM 204 N PHE A 14 3.070 2.352 4.076 1.00 1.00 N ATOM 205 CA PHE A 14 2.908 0.895 4.349 1.00 1.00 C ATOM 206 C PHE A 14 2.046 0.687 5.576 1.00 1.00 C ATOM 207 O PHE A 14 0.912 0.230 5.482 1.00 1.00 O ATOM 208 CB PHE A 14 4.306 0.311 4.621 1.00 1.00 C ATOM 209 CG PHE A 14 4.178 -1.080 5.258 1.00 1.00 C ATOM 210 CD1 PHE A 14 3.412 -2.069 4.657 1.00 1.00 C ATOM 211 CD2 PHE A 14 4.840 -1.372 6.439 1.00 1.00 C ATOM 212 CE1 PHE A 14 3.314 -3.319 5.231 1.00 1.00 C ATOM 213 CE2 PHE A 14 4.738 -2.624 7.009 1.00 1.00 C ATOM 214 CZ PHE A 14 3.979 -3.597 6.405 1.00 1.00 C ATOM 0 H PHE A 14 3.999 2.635 3.765 1.00 1.00 H new ATOM 0 HA PHE A 14 2.434 0.407 3.497 1.00 1.00 H new ATOM 0 HB2 PHE A 14 4.869 0.243 3.690 1.00 1.00 H new ATOM 0 HB3 PHE A 14 4.864 0.974 5.283 1.00 1.00 H new ATOM 0 HD1 PHE A 14 2.890 -1.859 3.735 1.00 1.00 H new ATOM 0 HD2 PHE A 14 5.441 -0.613 6.918 1.00 1.00 H new ATOM 0 HE1 PHE A 14 2.714 -4.083 4.759 1.00 1.00 H new ATOM 0 HE2 PHE A 14 5.256 -2.840 7.932 1.00 1.00 H new ATOM 0 HZ PHE A 14 3.904 -4.578 6.850 1.00 1.00 H new ATOM 224 N TYR A 15 2.561 1.070 6.706 1.00 1.00 N ATOM 225 CA TYR A 15 1.771 0.888 7.937 1.00 1.00 C ATOM 226 C TYR A 15 0.335 1.396 7.747 1.00 1.00 C ATOM 227 O TYR A 15 -0.590 0.906 8.365 1.00 1.00 O ATOM 228 CB TYR A 15 2.414 1.709 9.068 1.00 1.00 C ATOM 229 CG TYR A 15 3.668 1.003 9.596 1.00 1.00 C ATOM 230 CD1 TYR A 15 3.575 -0.232 10.206 1.00 1.00 C ATOM 231 CD2 TYR A 15 4.906 1.608 9.494 1.00 1.00 C ATOM 232 CE1 TYR A 15 4.703 -0.852 10.709 1.00 1.00 C ATOM 233 CE2 TYR A 15 6.030 0.988 9.996 1.00 1.00 C ATOM 234 CZ TYR A 15 5.940 -0.245 10.607 1.00 1.00 C ATOM 235 OH TYR A 15 7.067 -0.864 11.110 1.00 1.00 O ATOM 0 H TYR A 15 3.481 1.494 6.825 1.00 1.00 H new ATOM 0 HA TYR A 15 1.751 -0.175 8.178 1.00 1.00 H new ATOM 0 HB2 TYR A 15 2.675 2.702 8.702 1.00 1.00 H new ATOM 0 HB3 TYR A 15 1.698 1.846 9.878 1.00 1.00 H new ATOM 0 HD1 TYR A 15 2.614 -0.717 10.291 1.00 1.00 H new ATOM 0 HD2 TYR A 15 4.994 2.573 9.018 1.00 1.00 H new ATOM 0 HE1 TYR A 15 4.617 -1.818 11.185 1.00 1.00 H new ATOM 0 HE2 TYR A 15 6.991 1.473 9.910 1.00 1.00 H new ATOM 0 HH TYR A 15 7.850 -0.297 10.951 1.00 1.00 H new ATOM 245 N GLU A 16 0.186 2.374 6.887 1.00 1.00 N ATOM 246 CA GLU A 16 -1.171 2.945 6.632 1.00 1.00 C ATOM 247 C GLU A 16 -2.044 2.004 5.802 1.00 1.00 C ATOM 248 O GLU A 16 -3.087 1.580 6.258 1.00 1.00 O ATOM 249 CB GLU A 16 -0.992 4.265 5.859 1.00 1.00 C ATOM 250 CG GLU A 16 -1.838 5.367 6.502 1.00 1.00 C ATOM 251 CD GLU A 16 -1.513 6.701 5.830 1.00 1.00 C ATOM 252 OE1 GLU A 16 -1.327 6.669 4.626 1.00 1.00 O ATOM 253 OE2 GLU A 16 -1.469 7.678 6.560 1.00 1.00 O ATOM 0 H GLU A 16 0.943 2.800 6.353 1.00 1.00 H new ATOM 0 HA GLU A 16 -1.668 3.099 7.590 1.00 1.00 H new ATOM 0 HB2 GLU A 16 0.059 4.556 5.858 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -1.287 4.129 4.818 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -2.898 5.139 6.393 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -1.632 5.424 7.571 1.00 1.00 H new ATOM 260 N ILE A 17 -1.613 1.705 4.592 1.00 1.00 N ATOM 261 CA ILE A 17 -2.429 0.789 3.729 1.00 1.00 C ATOM 262 C ILE A 17 -3.013 -0.350 4.555 1.00 1.00 C ATOM 263 O ILE A 17 -4.043 -0.903 4.219 1.00 1.00 O ATOM 264 CB ILE A 17 -1.545 0.170 2.624 1.00 1.00 C ATOM 265 CG1 ILE A 17 -0.267 0.980 2.427 1.00 1.00 C ATOM 266 CG2 ILE A 17 -2.344 0.176 1.303 1.00 1.00 C ATOM 267 CD1 ILE A 17 0.590 0.325 1.333 1.00 1.00 C ATOM 0 H ILE A 17 -0.749 2.049 4.174 1.00 1.00 H new ATOM 0 HA ILE A 17 -3.233 1.379 3.288 1.00 1.00 H new ATOM 0 HB ILE A 17 -1.272 -0.844 2.916 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -0.512 2.004 2.147 1.00 1.00 H new ATOM 0 HG13 ILE A 17 0.292 1.030 3.361 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -1.737 -0.258 0.508 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -3.254 -0.411 1.426 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -2.606 1.201 1.041 1.00 1.00 H new ATOM 0 HD11 ILE A 17 1.503 0.903 1.191 1.00 1.00 H new ATOM 0 HD12 ILE A 17 0.846 -0.691 1.631 1.00 1.00 H new ATOM 0 HD13 ILE A 17 0.029 0.298 0.399 1.00 1.00 H new ATOM 279 N LEU A 18 -2.339 -0.683 5.625 1.00 1.00 N ATOM 280 CA LEU A 18 -2.843 -1.789 6.494 1.00 1.00 C ATOM 281 C LEU A 18 -4.065 -1.351 7.306 1.00 1.00 C ATOM 282 O LEU A 18 -4.345 -1.908 8.351 1.00 1.00 O ATOM 283 CB LEU A 18 -1.720 -2.168 7.482 1.00 1.00 C ATOM 284 CG LEU A 18 -0.841 -3.264 6.874 1.00 1.00 C ATOM 285 CD1 LEU A 18 -1.640 -4.585 6.768 1.00 1.00 C ATOM 286 CD2 LEU A 18 -0.365 -2.799 5.493 1.00 1.00 C ATOM 0 H LEU A 18 -1.472 -0.243 5.933 1.00 1.00 H new ATOM 0 HA LEU A 18 -3.130 -2.628 5.861 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -1.115 -1.291 7.713 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -2.151 -2.514 8.421 1.00 1.00 H new ATOM 0 HG LEU A 18 0.025 -3.448 7.509 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -1.007 -5.359 6.334 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -1.964 -4.895 7.762 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -2.513 -4.432 6.133 1.00 1.00 H new ATOM 0 HD21 LEU A 18 0.263 -3.570 5.046 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -1.228 -2.618 4.853 1.00 1.00 H new ATOM 0 HD23 LEU A 18 0.209 -1.878 5.597 1.00 1.00 H new ATOM 298 N HIS A 19 -4.782 -0.373 6.813 1.00 1.00 N ATOM 299 CA HIS A 19 -5.980 0.098 7.576 1.00 1.00 C ATOM 300 C HIS A 19 -7.185 0.408 6.675 1.00 1.00 C ATOM 301 O HIS A 19 -8.297 0.431 7.153 1.00 1.00 O ATOM 302 CB HIS A 19 -5.572 1.373 8.322 1.00 1.00 C ATOM 303 CG HIS A 19 -4.711 0.995 9.515 1.00 1.00 C ATOM 304 ND1 HIS A 19 -4.974 0.083 10.319 1.00 1.00 N ATOM 305 CD2 HIS A 19 -3.512 1.530 9.944 1.00 1.00 C ATOM 306 CE1 HIS A 19 -4.079 -0.020 11.204 1.00 1.00 C ATOM 307 NE2 HIS A 19 -3.102 0.866 11.047 1.00 1.00 N ATOM 0 H HIS A 19 -4.597 0.112 5.935 1.00 1.00 H new ATOM 0 HA HIS A 19 -6.293 -0.698 8.251 1.00 1.00 H new ATOM 0 HB2 HIS A 19 -5.022 2.039 7.657 1.00 1.00 H new ATOM 0 HB3 HIS A 19 -6.458 1.915 8.654 1.00 1.00 H new ATOM 0 HD2 HIS A 19 -2.987 2.348 9.473 1.00 1.00 H new ATOM 0 HE1 HIS A 19 -4.105 -0.748 12.001 1.00 1.00 H new ATOM 0 HE2 HIS A 19 -2.264 1.008 11.610 1.00 1.00 H new ATOM 315 N LEU A 20 -6.944 0.583 5.393 1.00 1.00 N ATOM 316 CA LEU A 20 -8.071 0.903 4.439 1.00 1.00 C ATOM 317 C LEU A 20 -9.390 0.158 4.820 1.00 1.00 C ATOM 318 O LEU A 20 -9.656 -0.937 4.335 1.00 1.00 O ATOM 319 CB LEU A 20 -7.625 0.411 3.058 1.00 1.00 C ATOM 320 CG LEU A 20 -6.558 1.361 2.492 1.00 1.00 C ATOM 321 CD1 LEU A 20 -6.023 0.774 1.192 1.00 1.00 C ATOM 322 CD2 LEU A 20 -7.175 2.736 2.203 1.00 1.00 C ATOM 0 H LEU A 20 -6.021 0.519 4.964 1.00 1.00 H new ATOM 0 HA LEU A 20 -8.275 1.973 4.466 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.224 -0.600 3.133 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.480 0.365 2.384 1.00 1.00 H new ATOM 0 HG LEU A 20 -5.754 1.477 3.219 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.264 1.438 0.778 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.582 -0.203 1.388 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.840 0.667 0.478 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.410 3.401 1.802 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -7.979 2.628 1.475 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -7.574 3.157 3.126 1.00 1.00 H new ATOM 334 N PRO A 21 -10.248 0.819 5.622 1.00 1.00 N ATOM 335 CA PRO A 21 -11.511 0.207 6.070 1.00 1.00 C ATOM 336 C PRO A 21 -12.554 0.130 4.965 1.00 1.00 C ATOM 337 O PRO A 21 -13.636 -0.384 5.170 1.00 1.00 O ATOM 338 CB PRO A 21 -12.030 1.164 7.162 1.00 1.00 C ATOM 339 CG PRO A 21 -11.199 2.480 7.061 1.00 1.00 C ATOM 340 CD PRO A 21 -10.073 2.232 6.055 1.00 1.00 C ATOM 0 HA PRO A 21 -11.340 -0.816 6.405 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -13.091 1.368 7.021 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -11.920 0.715 8.149 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -11.829 3.308 6.736 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -10.791 2.753 8.034 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.142 2.916 5.209 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.095 2.387 6.511 1.00 1.00 H new ATOM 348 N ASN A 22 -12.222 0.632 3.825 1.00 1.00 N ATOM 349 CA ASN A 22 -13.191 0.597 2.721 1.00 1.00 C ATOM 350 C ASN A 22 -13.256 -0.763 2.024 1.00 1.00 C ATOM 351 O ASN A 22 -14.266 -1.081 1.424 1.00 1.00 O ATOM 352 CB ASN A 22 -12.760 1.652 1.708 1.00 1.00 C ATOM 353 CG ASN A 22 -12.195 2.868 2.464 1.00 1.00 C ATOM 354 OD1 ASN A 22 -10.904 2.965 2.645 1.00 1.00 O flip ATOM 355 ND2 ASN A 22 -12.926 3.731 2.905 1.00 1.00 N flip ATOM 0 H ASN A 22 -11.323 1.064 3.610 1.00 1.00 H new ATOM 0 HA ASN A 22 -14.184 0.788 3.128 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -12.006 1.243 1.035 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -13.608 1.952 1.092 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -13.935 3.664 2.769 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -12.532 4.523 3.412 1.00 1.00 H new ATOM 362 N LEU A 23 -12.194 -1.550 2.099 1.00 1.00 N ATOM 363 CA LEU A 23 -12.240 -2.889 1.410 1.00 1.00 C ATOM 364 C LEU A 23 -11.717 -4.004 2.285 1.00 1.00 C ATOM 365 O LEU A 23 -11.491 -3.829 3.465 1.00 1.00 O ATOM 366 CB LEU A 23 -11.335 -2.865 0.166 1.00 1.00 C ATOM 367 CG LEU A 23 -11.185 -1.450 -0.387 1.00 1.00 C ATOM 368 CD1 LEU A 23 -10.012 -0.756 0.318 1.00 1.00 C ATOM 369 CD2 LEU A 23 -10.873 -1.546 -1.876 1.00 1.00 C ATOM 0 H LEU A 23 -11.327 -1.331 2.590 1.00 1.00 H new ATOM 0 HA LEU A 23 -13.286 -3.069 1.163 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -10.353 -3.264 0.421 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -11.753 -3.515 -0.603 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.102 -0.884 -0.224 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -9.900 0.255 -0.073 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -10.206 -0.712 1.390 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -9.096 -1.318 0.139 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -10.762 -0.544 -2.290 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -9.946 -2.102 -2.018 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.687 -2.061 -2.386 1.00 1.00 H new ATOM 381 N ASN A 24 -11.531 -5.148 1.666 1.00 1.00 N ATOM 382 CA ASN A 24 -11.016 -6.309 2.411 1.00 1.00 C ATOM 383 C ASN A 24 -9.524 -6.470 2.171 1.00 1.00 C ATOM 384 O ASN A 24 -8.971 -6.015 1.158 1.00 1.00 O ATOM 385 CB ASN A 24 -11.727 -7.577 1.942 1.00 1.00 C ATOM 386 CG ASN A 24 -12.257 -7.374 0.524 1.00 1.00 C ATOM 387 OD1 ASN A 24 -11.556 -7.572 -0.445 1.00 1.00 O ATOM 388 ND2 ASN A 24 -13.490 -6.981 0.362 1.00 1.00 N ATOM 0 H ASN A 24 -11.718 -5.313 0.677 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.198 -6.148 3.473 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -11.039 -8.422 1.966 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -12.549 -7.816 2.617 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -13.861 -6.841 -0.578 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -14.083 -6.813 1.175 1.00 1.00 H new ATOM 395 N GLU A 25 -8.899 -7.147 3.068 1.00 1.00 N ATOM 396 CA GLU A 25 -7.457 -7.340 2.923 1.00 1.00 C ATOM 397 C GLU A 25 -7.122 -8.398 1.908 1.00 1.00 C ATOM 398 O GLU A 25 -6.027 -8.860 1.868 1.00 1.00 O ATOM 399 CB GLU A 25 -6.869 -7.733 4.277 1.00 1.00 C ATOM 400 CG GLU A 25 -5.918 -6.623 4.719 1.00 1.00 C ATOM 401 CD GLU A 25 -5.431 -6.914 6.142 1.00 1.00 C ATOM 402 OE1 GLU A 25 -6.289 -7.214 6.956 1.00 1.00 O ATOM 403 OE2 GLU A 25 -4.230 -6.822 6.334 1.00 1.00 O ATOM 0 H GLU A 25 -9.324 -7.573 3.892 1.00 1.00 H new ATOM 0 HA GLU A 25 -7.028 -6.402 2.571 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.662 -7.870 5.012 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -6.338 -8.682 4.201 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -5.070 -6.561 4.037 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -6.425 -5.659 4.685 1.00 1.00 H new ATOM 410 N GLU A 26 -8.063 -8.791 1.114 1.00 1.00 N ATOM 411 CA GLU A 26 -7.720 -9.814 0.108 1.00 1.00 C ATOM 412 C GLU A 26 -6.949 -9.130 -1.010 1.00 1.00 C ATOM 413 O GLU A 26 -5.752 -9.323 -1.161 1.00 1.00 O ATOM 414 CB GLU A 26 -9.010 -10.435 -0.455 1.00 1.00 C ATOM 415 CG GLU A 26 -8.665 -11.770 -1.123 1.00 1.00 C ATOM 416 CD GLU A 26 -9.952 -12.462 -1.580 1.00 1.00 C ATOM 417 OE1 GLU A 26 -10.919 -12.344 -0.847 1.00 1.00 O ATOM 418 OE2 GLU A 26 -9.894 -13.073 -2.635 1.00 1.00 O ATOM 0 H GLU A 26 -9.028 -8.460 1.115 1.00 1.00 H new ATOM 0 HA GLU A 26 -7.117 -10.604 0.556 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -9.735 -10.589 0.344 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.470 -9.760 -1.176 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -8.007 -11.602 -1.976 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -8.125 -12.409 -0.425 1.00 1.00 H new ATOM 425 N GLN A 27 -7.636 -8.315 -1.764 1.00 1.00 N ATOM 426 CA GLN A 27 -6.946 -7.612 -2.858 1.00 1.00 C ATOM 427 C GLN A 27 -5.977 -6.597 -2.269 1.00 1.00 C ATOM 428 O GLN A 27 -4.891 -6.371 -2.809 1.00 1.00 O ATOM 429 CB GLN A 27 -7.970 -6.859 -3.749 1.00 1.00 C ATOM 430 CG GLN A 27 -9.408 -7.248 -3.378 1.00 1.00 C ATOM 431 CD GLN A 27 -9.815 -6.519 -2.099 1.00 1.00 C ATOM 432 OE1 GLN A 27 -9.104 -6.516 -1.120 1.00 1.00 O ATOM 433 NE2 GLN A 27 -10.950 -5.881 -2.071 1.00 1.00 N ATOM 0 H GLN A 27 -8.631 -8.114 -1.665 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.412 -8.345 -3.462 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -7.838 -5.783 -3.632 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -7.785 -7.091 -4.798 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -10.088 -6.989 -4.190 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -9.480 -8.326 -3.234 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.554 -5.879 -2.893 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -11.234 -5.383 -1.227 1.00 1.00 H new ATOM 442 N ARG A 28 -6.357 -5.993 -1.152 1.00 1.00 N ATOM 443 CA ARG A 28 -5.430 -5.010 -0.575 1.00 1.00 C ATOM 444 C ARG A 28 -4.150 -5.707 -0.141 1.00 1.00 C ATOM 445 O ARG A 28 -3.071 -5.298 -0.524 1.00 1.00 O ATOM 446 CB ARG A 28 -6.121 -4.290 0.611 1.00 1.00 C ATOM 447 CG ARG A 28 -5.184 -4.205 1.824 1.00 1.00 C ATOM 448 CD ARG A 28 -5.813 -3.301 2.879 1.00 1.00 C ATOM 449 NE ARG A 28 -5.091 -3.485 4.169 1.00 1.00 N ATOM 450 CZ ARG A 28 -5.676 -3.144 5.286 1.00 1.00 C ATOM 451 NH1 ARG A 28 -6.261 -1.980 5.363 1.00 1.00 N ATOM 452 NH2 ARG A 28 -5.651 -3.977 6.291 1.00 1.00 N ATOM 0 H ARG A 28 -7.233 -6.144 -0.651 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.164 -4.260 -1.320 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -6.421 -3.287 0.307 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -7.030 -4.825 0.886 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -5.011 -5.199 2.236 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -4.213 -3.812 1.522 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -5.759 -2.259 2.563 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -6.869 -3.543 3.001 1.00 1.00 H new ATOM 0 HE ARG A 28 -4.148 -3.874 4.180 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -6.257 -1.353 4.559 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -6.723 -1.697 6.228 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -5.180 -4.877 6.196 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -6.102 -3.728 7.171 1.00 1.00 H new ATOM 466 N ASN A 29 -4.266 -6.745 0.646 1.00 1.00 N ATOM 467 CA ASN A 29 -3.030 -7.438 1.060 1.00 1.00 C ATOM 468 C ASN A 29 -2.252 -7.760 -0.185 1.00 1.00 C ATOM 469 O ASN A 29 -1.063 -7.918 -0.155 1.00 1.00 O ATOM 470 CB ASN A 29 -3.385 -8.761 1.743 1.00 1.00 C ATOM 471 CG ASN A 29 -2.115 -9.554 2.010 1.00 1.00 C ATOM 472 OD1 ASN A 29 -1.090 -9.014 2.372 1.00 1.00 O ATOM 473 ND2 ASN A 29 -2.144 -10.848 1.840 1.00 1.00 N ATOM 0 H ASN A 29 -5.140 -7.128 1.007 1.00 1.00 H new ATOM 0 HA ASN A 29 -2.460 -6.809 1.744 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -3.910 -8.569 2.679 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -4.060 -9.338 1.111 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.306 -11.404 2.011 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -3.005 -11.303 1.536 1.00 1.00 H new ATOM 480 N GLY A 30 -2.970 -7.846 -1.274 1.00 1.00 N ATOM 481 CA GLY A 30 -2.321 -8.162 -2.565 1.00 1.00 C ATOM 482 C GLY A 30 -1.218 -7.155 -2.905 1.00 1.00 C ATOM 483 O GLY A 30 -0.057 -7.522 -2.998 1.00 1.00 O ATOM 0 H GLY A 30 -3.980 -7.709 -1.318 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -1.898 -9.166 -2.524 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -3.069 -8.164 -3.358 1.00 1.00 H new ATOM 487 N PHE A 31 -1.578 -5.897 -3.076 1.00 1.00 N ATOM 488 CA PHE A 31 -0.501 -4.926 -3.421 1.00 1.00 C ATOM 489 C PHE A 31 0.659 -4.995 -2.428 1.00 1.00 C ATOM 490 O PHE A 31 1.817 -4.937 -2.813 1.00 1.00 O ATOM 491 CB PHE A 31 -1.035 -3.452 -3.518 1.00 1.00 C ATOM 492 CG PHE A 31 -2.080 -3.077 -2.475 1.00 1.00 C ATOM 493 CD1 PHE A 31 -1.778 -3.083 -1.134 1.00 1.00 C ATOM 494 CD2 PHE A 31 -3.315 -2.592 -2.876 1.00 1.00 C ATOM 495 CE1 PHE A 31 -2.678 -2.630 -0.220 1.00 1.00 C ATOM 496 CE2 PHE A 31 -4.210 -2.130 -1.952 1.00 1.00 C ATOM 497 CZ PHE A 31 -3.893 -2.152 -0.623 1.00 1.00 C ATOM 0 H PHE A 31 -2.523 -5.522 -2.995 1.00 1.00 H new ATOM 0 HA PHE A 31 -0.136 -5.217 -4.406 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -0.191 -2.769 -3.427 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -1.462 -3.300 -4.509 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -0.818 -3.451 -0.803 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -3.572 -2.579 -3.925 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -2.431 -2.648 0.831 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -5.168 -1.748 -2.272 1.00 1.00 H new ATOM 0 HZ PHE A 31 -4.602 -1.792 0.108 1.00 1.00 H new ATOM 507 N ILE A 32 0.359 -5.152 -1.182 1.00 1.00 N ATOM 508 CA ILE A 32 1.455 -5.217 -0.210 1.00 1.00 C ATOM 509 C ILE A 32 2.026 -6.600 -0.158 1.00 1.00 C ATOM 510 O ILE A 32 3.138 -6.791 0.276 1.00 1.00 O ATOM 511 CB ILE A 32 0.963 -4.814 1.186 1.00 1.00 C ATOM 512 CG1 ILE A 32 -0.360 -5.432 1.486 1.00 1.00 C ATOM 513 CG2 ILE A 32 0.827 -3.284 1.257 1.00 1.00 C ATOM 514 CD1 ILE A 32 -0.817 -4.984 2.884 1.00 1.00 C ATOM 0 H ILE A 32 -0.584 -5.237 -0.802 1.00 1.00 H new ATOM 0 HA ILE A 32 2.231 -4.520 -0.528 1.00 1.00 H new ATOM 0 HB ILE A 32 1.688 -5.166 1.920 1.00 1.00 H new ATOM 0 HG12 ILE A 32 -1.093 -5.134 0.737 1.00 1.00 H new ATOM 0 HG13 ILE A 32 -0.286 -6.519 1.445 1.00 1.00 H new ATOM 0 HG21 ILE A 32 0.477 -2.995 2.248 1.00 1.00 H new ATOM 0 HG22 ILE A 32 1.796 -2.823 1.066 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.111 -2.947 0.507 1.00 1.00 H new ATOM 0 HD11 ILE A 32 -1.784 -5.432 3.111 1.00 1.00 H new ATOM 0 HD12 ILE A 32 -0.086 -5.304 3.626 1.00 1.00 H new ATOM 0 HD13 ILE A 32 -0.906 -3.898 2.907 1.00 1.00 H new ATOM 526 N GLN A 33 1.282 -7.564 -0.594 1.00 1.00 N ATOM 527 CA GLN A 33 1.861 -8.895 -0.546 1.00 1.00 C ATOM 528 C GLN A 33 3.115 -8.827 -1.349 1.00 1.00 C ATOM 529 O GLN A 33 4.065 -9.549 -1.118 1.00 1.00 O ATOM 530 CB GLN A 33 0.899 -9.930 -1.164 1.00 1.00 C ATOM 531 CG GLN A 33 1.509 -11.328 -1.027 1.00 1.00 C ATOM 532 CD GLN A 33 0.569 -12.205 -0.194 1.00 1.00 C ATOM 533 OE1 GLN A 33 0.949 -12.756 0.821 1.00 1.00 O ATOM 534 NE2 GLN A 33 -0.667 -12.358 -0.585 1.00 1.00 N ATOM 0 H GLN A 33 0.336 -7.484 -0.966 1.00 1.00 H new ATOM 0 HA GLN A 33 2.053 -9.203 0.482 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -0.068 -9.891 -0.662 1.00 1.00 H new ATOM 0 HB3 GLN A 33 0.722 -9.698 -2.214 1.00 1.00 H new ATOM 0 HG2 GLN A 33 1.662 -11.770 -2.012 1.00 1.00 H new ATOM 0 HG3 GLN A 33 2.487 -11.266 -0.550 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -0.993 -11.899 -1.435 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -1.306 -12.936 -0.040 1.00 1.00 H new ATOM 543 N SER A 34 3.092 -7.931 -2.298 1.00 1.00 N ATOM 544 CA SER A 34 4.270 -7.752 -3.137 1.00 1.00 C ATOM 545 C SER A 34 5.265 -6.865 -2.385 1.00 1.00 C ATOM 546 O SER A 34 6.441 -7.016 -2.536 1.00 1.00 O ATOM 547 CB SER A 34 3.854 -7.094 -4.457 1.00 1.00 C ATOM 548 OG SER A 34 5.051 -6.499 -4.940 1.00 1.00 O ATOM 0 H SER A 34 2.301 -7.324 -2.515 1.00 1.00 H new ATOM 0 HA SER A 34 4.736 -8.712 -3.360 1.00 1.00 H new ATOM 0 HB2 SER A 34 3.461 -7.827 -5.161 1.00 1.00 H new ATOM 0 HB3 SER A 34 3.073 -6.350 -4.303 1.00 1.00 H new ATOM 0 HG SER A 34 4.873 -6.051 -5.793 1.00 1.00 H new ATOM 554 N LEU A 35 4.764 -5.925 -1.591 1.00 1.00 N ATOM 555 CA LEU A 35 5.694 -5.064 -0.828 1.00 1.00 C ATOM 556 C LEU A 35 6.619 -5.954 -0.004 1.00 1.00 C ATOM 557 O LEU A 35 7.725 -5.580 0.331 1.00 1.00 O ATOM 558 CB LEU A 35 4.858 -4.172 0.122 1.00 1.00 C ATOM 559 CG LEU A 35 5.775 -3.448 1.107 1.00 1.00 C ATOM 560 CD1 LEU A 35 5.279 -2.002 1.325 1.00 1.00 C ATOM 561 CD2 LEU A 35 5.771 -4.162 2.481 1.00 1.00 C ATOM 0 H LEU A 35 3.771 -5.735 -1.454 1.00 1.00 H new ATOM 0 HA LEU A 35 6.286 -4.443 -1.500 1.00 1.00 H new ATOM 0 HB2 LEU A 35 4.288 -3.446 -0.457 1.00 1.00 H new ATOM 0 HB3 LEU A 35 4.137 -4.783 0.666 1.00 1.00 H new ATOM 0 HG LEU A 35 6.782 -3.450 0.689 1.00 1.00 H new ATOM 0 HD11 LEU A 35 5.938 -1.493 2.028 1.00 1.00 H new ATOM 0 HD12 LEU A 35 5.282 -1.469 0.374 1.00 1.00 H new ATOM 0 HD13 LEU A 35 4.266 -2.022 1.727 1.00 1.00 H new ATOM 0 HD21 LEU A 35 6.430 -3.632 3.169 1.00 1.00 H new ATOM 0 HD22 LEU A 35 4.758 -4.171 2.883 1.00 1.00 H new ATOM 0 HD23 LEU A 35 6.122 -5.187 2.360 1.00 1.00 H new ATOM 573 N LYS A 36 6.130 -7.134 0.311 1.00 1.00 N ATOM 574 CA LYS A 36 6.943 -8.089 1.111 1.00 1.00 C ATOM 575 C LYS A 36 7.784 -8.963 0.189 1.00 1.00 C ATOM 576 O LYS A 36 8.995 -8.966 0.267 1.00 1.00 O ATOM 577 CB LYS A 36 5.995 -9.017 1.903 1.00 1.00 C ATOM 578 CG LYS A 36 5.452 -8.304 3.159 1.00 1.00 C ATOM 579 CD LYS A 36 4.210 -7.476 2.790 1.00 1.00 C ATOM 580 CE LYS A 36 3.563 -6.924 4.068 1.00 1.00 C ATOM 581 NZ LYS A 36 2.097 -6.729 3.864 1.00 1.00 N ATOM 0 H LYS A 36 5.204 -7.469 0.046 1.00 1.00 H new ATOM 0 HA LYS A 36 7.590 -7.523 1.781 1.00 1.00 H new ATOM 0 HB2 LYS A 36 5.165 -9.325 1.267 1.00 1.00 H new ATOM 0 HB3 LYS A 36 6.526 -9.923 2.195 1.00 1.00 H new ATOM 0 HG2 LYS A 36 5.197 -9.038 3.924 1.00 1.00 H new ATOM 0 HG3 LYS A 36 6.220 -7.656 3.582 1.00 1.00 H new ATOM 0 HD2 LYS A 36 4.490 -6.656 2.128 1.00 1.00 H new ATOM 0 HD3 LYS A 36 3.496 -8.095 2.246 1.00 1.00 H new ATOM 0 HE2 LYS A 36 3.733 -7.612 4.896 1.00 1.00 H new ATOM 0 HE3 LYS A 36 4.029 -5.977 4.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 1.862 -5.722 3.973 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 1.835 -7.044 2.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 1.571 -7.285 4.568 1.00 1.00 H new ATOM 595 N ASP A 37 7.120 -9.709 -0.661 1.00 1.00 N ATOM 596 CA ASP A 37 7.877 -10.593 -1.602 1.00 1.00 C ATOM 597 C ASP A 37 8.538 -9.769 -2.712 1.00 1.00 C ATOM 598 O ASP A 37 9.261 -10.292 -3.535 1.00 1.00 O ATOM 599 CB ASP A 37 6.884 -11.577 -2.236 1.00 1.00 C ATOM 600 CG ASP A 37 7.654 -12.646 -3.015 1.00 1.00 C ATOM 601 OD1 ASP A 37 8.444 -13.317 -2.374 1.00 1.00 O ATOM 602 OD2 ASP A 37 7.404 -12.733 -4.206 1.00 1.00 O ATOM 0 H ASP A 37 6.104 -9.745 -0.744 1.00 1.00 H new ATOM 0 HA ASP A 37 8.657 -11.120 -1.052 1.00 1.00 H new ATOM 0 HB2 ASP A 37 6.274 -12.044 -1.463 1.00 1.00 H new ATOM 0 HB3 ASP A 37 6.204 -11.046 -2.902 1.00 1.00 H new ATOM 607 N ASP A 38 8.266 -8.498 -2.703 1.00 1.00 N ATOM 608 CA ASP A 38 8.844 -7.590 -3.735 1.00 1.00 C ATOM 609 C ASP A 38 8.757 -6.132 -3.262 1.00 1.00 C ATOM 610 O ASP A 38 7.971 -5.358 -3.769 1.00 1.00 O ATOM 611 CB ASP A 38 8.008 -7.731 -5.014 1.00 1.00 C ATOM 612 CG ASP A 38 8.505 -8.939 -5.812 1.00 1.00 C ATOM 613 OD1 ASP A 38 9.630 -8.855 -6.276 1.00 1.00 O ATOM 614 OD2 ASP A 38 7.731 -9.876 -5.912 1.00 1.00 O ATOM 0 H ASP A 38 7.662 -8.042 -2.019 1.00 1.00 H new ATOM 0 HA ASP A 38 9.887 -7.852 -3.911 1.00 1.00 H new ATOM 0 HB2 ASP A 38 6.955 -7.855 -4.762 1.00 1.00 H new ATOM 0 HB3 ASP A 38 8.087 -6.826 -5.616 1.00 1.00 H new ATOM 619 N PRO A 39 9.570 -5.787 -2.290 1.00 1.00 N ATOM 620 CA PRO A 39 9.576 -4.428 -1.738 1.00 1.00 C ATOM 621 C PRO A 39 9.973 -3.369 -2.767 1.00 1.00 C ATOM 622 O PRO A 39 9.518 -2.253 -2.713 1.00 1.00 O ATOM 623 CB PRO A 39 10.619 -4.477 -0.601 1.00 1.00 C ATOM 624 CG PRO A 39 11.147 -5.940 -0.509 1.00 1.00 C ATOM 625 CD PRO A 39 10.535 -6.718 -1.681 1.00 1.00 C ATOM 0 HA PRO A 39 8.579 -4.143 -1.403 1.00 1.00 H new ATOM 0 HB2 PRO A 39 11.438 -3.786 -0.802 1.00 1.00 H new ATOM 0 HB3 PRO A 39 10.170 -4.172 0.344 1.00 1.00 H new ATOM 0 HG2 PRO A 39 12.236 -5.960 -0.561 1.00 1.00 H new ATOM 0 HG3 PRO A 39 10.865 -6.392 0.442 1.00 1.00 H new ATOM 0 HD2 PRO A 39 11.299 -7.020 -2.397 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.043 -7.628 -1.337 1.00 1.00 H new ATOM 633 N SER A 40 10.782 -3.739 -3.699 1.00 1.00 N ATOM 634 CA SER A 40 11.208 -2.751 -4.722 1.00 1.00 C ATOM 635 C SER A 40 10.028 -2.040 -5.403 1.00 1.00 C ATOM 636 O SER A 40 10.235 -1.216 -6.274 1.00 1.00 O ATOM 637 CB SER A 40 12.010 -3.496 -5.777 1.00 1.00 C ATOM 638 OG SER A 40 11.342 -3.209 -6.995 1.00 1.00 O ATOM 0 H SER A 40 11.170 -4.677 -3.804 1.00 1.00 H new ATOM 0 HA SER A 40 11.795 -1.980 -4.223 1.00 1.00 H new ATOM 0 HB2 SER A 40 13.046 -3.157 -5.802 1.00 1.00 H new ATOM 0 HB3 SER A 40 12.030 -4.567 -5.578 1.00 1.00 H new ATOM 0 HG SER A 40 11.350 -2.242 -7.153 1.00 1.00 H new ATOM 644 N GLN A 41 8.819 -2.367 -5.004 1.00 1.00 N ATOM 645 CA GLN A 41 7.630 -1.705 -5.625 1.00 1.00 C ATOM 646 C GLN A 41 6.707 -1.110 -4.559 1.00 1.00 C ATOM 647 O GLN A 41 5.750 -0.445 -4.872 1.00 1.00 O ATOM 648 CB GLN A 41 6.854 -2.758 -6.427 1.00 1.00 C ATOM 649 CG GLN A 41 7.748 -3.297 -7.546 1.00 1.00 C ATOM 650 CD GLN A 41 6.968 -4.328 -8.368 1.00 1.00 C ATOM 651 OE1 GLN A 41 6.494 -4.044 -9.451 1.00 1.00 O ATOM 652 NE2 GLN A 41 6.812 -5.534 -7.895 1.00 1.00 N ATOM 0 H GLN A 41 8.608 -3.057 -4.283 1.00 1.00 H new ATOM 0 HA GLN A 41 7.973 -0.896 -6.269 1.00 1.00 H new ATOM 0 HB2 GLN A 41 6.539 -3.571 -5.773 1.00 1.00 H new ATOM 0 HB3 GLN A 41 5.949 -2.319 -6.848 1.00 1.00 H new ATOM 0 HG2 GLN A 41 8.080 -2.480 -8.187 1.00 1.00 H new ATOM 0 HG3 GLN A 41 8.643 -3.754 -7.123 1.00 1.00 H new ATOM 0 HE21 GLN A 41 7.206 -5.781 -6.987 1.00 1.00 H new ATOM 0 HE22 GLN A 41 6.296 -6.230 -8.433 1.00 1.00 H new ATOM 661 N SER A 42 7.025 -1.363 -3.322 1.00 1.00 N ATOM 662 CA SER A 42 6.195 -0.832 -2.191 1.00 1.00 C ATOM 663 C SER A 42 5.617 0.557 -2.478 1.00 1.00 C ATOM 664 O SER A 42 4.433 0.726 -2.663 1.00 1.00 O ATOM 665 CB SER A 42 7.123 -0.690 -1.012 1.00 1.00 C ATOM 666 OG SER A 42 8.233 -0.058 -1.587 1.00 1.00 O ATOM 0 H SER A 42 7.831 -1.920 -3.037 1.00 1.00 H new ATOM 0 HA SER A 42 5.361 -1.514 -2.023 1.00 1.00 H new ATOM 0 HB2 SER A 42 6.681 -0.092 -0.215 1.00 1.00 H new ATOM 0 HB3 SER A 42 7.383 -1.656 -0.579 1.00 1.00 H new ATOM 0 HG SER A 42 8.961 -0.015 -0.932 1.00 1.00 H new ATOM 672 N ALA A 43 6.471 1.526 -2.479 1.00 1.00 N ATOM 673 CA ALA A 43 6.017 2.906 -2.741 1.00 1.00 C ATOM 674 C ALA A 43 5.016 2.952 -3.899 1.00 1.00 C ATOM 675 O ALA A 43 3.991 3.617 -3.828 1.00 1.00 O ATOM 676 CB ALA A 43 7.253 3.712 -3.108 1.00 1.00 C ATOM 0 H ALA A 43 7.471 1.422 -2.309 1.00 1.00 H new ATOM 0 HA ALA A 43 5.516 3.308 -1.861 1.00 1.00 H new ATOM 0 HB1 ALA A 43 6.967 4.744 -3.312 1.00 1.00 H new ATOM 0 HB2 ALA A 43 7.962 3.688 -2.280 1.00 1.00 H new ATOM 0 HB3 ALA A 43 7.717 3.282 -3.996 1.00 1.00 H new ATOM 682 N ASN A 44 5.322 2.248 -4.940 1.00 1.00 N ATOM 683 CA ASN A 44 4.405 2.240 -6.094 1.00 1.00 C ATOM 684 C ASN A 44 3.109 1.503 -5.728 1.00 1.00 C ATOM 685 O ASN A 44 2.036 1.877 -6.155 1.00 1.00 O ATOM 686 CB ASN A 44 5.114 1.530 -7.249 1.00 1.00 C ATOM 687 CG ASN A 44 4.174 1.450 -8.447 1.00 1.00 C ATOM 688 OD1 ASN A 44 4.027 2.393 -9.198 1.00 1.00 O ATOM 689 ND2 ASN A 44 3.516 0.348 -8.660 1.00 1.00 N ATOM 0 H ASN A 44 6.164 1.681 -5.041 1.00 1.00 H new ATOM 0 HA ASN A 44 4.143 3.258 -6.383 1.00 1.00 H new ATOM 0 HB2 ASN A 44 6.021 2.070 -7.520 1.00 1.00 H new ATOM 0 HB3 ASN A 44 5.418 0.529 -6.943 1.00 1.00 H new ATOM 0 HD21 ASN A 44 2.880 0.279 -9.455 1.00 1.00 H new ATOM 0 HD22 ASN A 44 3.636 -0.447 -8.032 1.00 1.00 H new ATOM 696 N LEU A 45 3.245 0.464 -4.941 1.00 1.00 N ATOM 697 CA LEU A 45 2.057 -0.311 -4.511 1.00 1.00 C ATOM 698 C LEU A 45 1.197 0.577 -3.635 1.00 1.00 C ATOM 699 O LEU A 45 -0.008 0.421 -3.566 1.00 1.00 O ATOM 700 CB LEU A 45 2.552 -1.503 -3.666 1.00 1.00 C ATOM 701 CG LEU A 45 2.899 -2.745 -4.525 1.00 1.00 C ATOM 702 CD1 LEU A 45 3.346 -2.381 -5.950 1.00 1.00 C ATOM 703 CD2 LEU A 45 4.054 -3.482 -3.840 1.00 1.00 C ATOM 0 H LEU A 45 4.136 0.123 -4.580 1.00 1.00 H new ATOM 0 HA LEU A 45 1.485 -0.657 -5.372 1.00 1.00 H new ATOM 0 HB2 LEU A 45 3.433 -1.200 -3.100 1.00 1.00 H new ATOM 0 HB3 LEU A 45 1.784 -1.772 -2.940 1.00 1.00 H new ATOM 0 HG LEU A 45 2.000 -3.355 -4.607 1.00 1.00 H new ATOM 0 HD11 LEU A 45 3.575 -3.292 -6.503 1.00 1.00 H new ATOM 0 HD12 LEU A 45 2.545 -1.841 -6.456 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.235 -1.752 -5.903 1.00 1.00 H new ATOM 0 HD21 LEU A 45 4.321 -4.363 -4.424 1.00 1.00 H new ATOM 0 HD22 LEU A 45 4.917 -2.820 -3.768 1.00 1.00 H new ATOM 0 HD23 LEU A 45 3.748 -3.788 -2.840 1.00 1.00 H new ATOM 715 N LEU A 46 1.841 1.505 -2.977 1.00 1.00 N ATOM 716 CA LEU A 46 1.097 2.425 -2.099 1.00 1.00 C ATOM 717 C LEU A 46 0.155 3.264 -2.930 1.00 1.00 C ATOM 718 O LEU A 46 -1.008 3.400 -2.607 1.00 1.00 O ATOM 719 CB LEU A 46 2.136 3.308 -1.330 1.00 1.00 C ATOM 720 CG LEU A 46 1.797 4.814 -1.392 1.00 1.00 C ATOM 721 CD1 LEU A 46 0.484 5.073 -0.631 1.00 1.00 C ATOM 722 CD2 LEU A 46 2.947 5.588 -0.741 1.00 1.00 C ATOM 0 H LEU A 46 2.849 1.657 -3.016 1.00 1.00 H new ATOM 0 HA LEU A 46 0.494 1.877 -1.375 1.00 1.00 H new ATOM 0 HB2 LEU A 46 2.176 2.991 -0.288 1.00 1.00 H new ATOM 0 HB3 LEU A 46 3.128 3.145 -1.751 1.00 1.00 H new ATOM 0 HG LEU A 46 1.671 5.138 -2.425 1.00 1.00 H new ATOM 0 HD11 LEU A 46 0.242 6.135 -0.673 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -0.321 4.499 -1.089 1.00 1.00 H new ATOM 0 HD13 LEU A 46 0.600 4.768 0.409 1.00 1.00 H new ATOM 0 HD21 LEU A 46 2.731 6.656 -0.773 1.00 1.00 H new ATOM 0 HD22 LEU A 46 3.058 5.271 0.296 1.00 1.00 H new ATOM 0 HD23 LEU A 46 3.872 5.389 -1.282 1.00 1.00 H new ATOM 734 N ALA A 47 0.659 3.804 -3.999 1.00 1.00 N ATOM 735 CA ALA A 47 -0.217 4.629 -4.851 1.00 1.00 C ATOM 736 C ALA A 47 -1.349 3.780 -5.408 1.00 1.00 C ATOM 737 O ALA A 47 -2.489 4.196 -5.430 1.00 1.00 O ATOM 738 CB ALA A 47 0.614 5.178 -6.016 1.00 1.00 C ATOM 0 H ALA A 47 1.625 3.710 -4.312 1.00 1.00 H new ATOM 0 HA ALA A 47 -0.638 5.444 -4.262 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -0.019 5.791 -6.657 1.00 1.00 H new ATOM 0 HB2 ALA A 47 1.431 5.785 -5.626 1.00 1.00 H new ATOM 0 HB3 ALA A 47 1.022 4.349 -6.595 1.00 1.00 H new ATOM 744 N GLU A 48 -1.010 2.588 -5.823 1.00 1.00 N ATOM 745 CA GLU A 48 -2.039 1.681 -6.390 1.00 1.00 C ATOM 746 C GLU A 48 -3.123 1.345 -5.369 1.00 1.00 C ATOM 747 O GLU A 48 -4.266 1.152 -5.728 1.00 1.00 O ATOM 748 CB GLU A 48 -1.346 0.378 -6.817 1.00 1.00 C ATOM 749 CG GLU A 48 -1.580 0.155 -8.314 1.00 1.00 C ATOM 750 CD GLU A 48 -0.888 1.268 -9.101 1.00 1.00 C ATOM 751 OE1 GLU A 48 0.062 1.804 -8.557 1.00 1.00 O ATOM 752 OE2 GLU A 48 -1.350 1.521 -10.201 1.00 1.00 O ATOM 0 H GLU A 48 -0.064 2.207 -5.792 1.00 1.00 H new ATOM 0 HA GLU A 48 -2.514 2.181 -7.235 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -0.278 0.434 -6.607 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -1.740 -0.462 -6.245 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -1.189 -0.817 -8.615 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -2.648 0.150 -8.531 1.00 1.00 H new ATOM 759 N ALA A 49 -2.754 1.276 -4.114 1.00 1.00 N ATOM 760 CA ALA A 49 -3.778 0.948 -3.088 1.00 1.00 C ATOM 761 C ALA A 49 -4.736 2.104 -2.881 1.00 1.00 C ATOM 762 O ALA A 49 -5.909 1.983 -3.164 1.00 1.00 O ATOM 763 CB ALA A 49 -3.087 0.646 -1.758 1.00 1.00 C ATOM 0 H ALA A 49 -1.808 1.430 -3.765 1.00 1.00 H new ATOM 0 HA ALA A 49 -4.339 0.081 -3.437 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -3.837 0.405 -1.005 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -2.413 -0.201 -1.882 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -2.518 1.519 -1.437 1.00 1.00 H new ATOM 769 N LYS A 50 -4.228 3.208 -2.375 1.00 1.00 N ATOM 770 CA LYS A 50 -5.130 4.364 -2.157 1.00 1.00 C ATOM 771 C LYS A 50 -6.025 4.536 -3.375 1.00 1.00 C ATOM 772 O LYS A 50 -7.121 5.051 -3.279 1.00 1.00 O ATOM 773 CB LYS A 50 -4.292 5.643 -1.942 1.00 1.00 C ATOM 774 CG LYS A 50 -3.919 5.795 -0.439 1.00 1.00 C ATOM 775 CD LYS A 50 -2.694 4.916 -0.087 1.00 1.00 C ATOM 776 CE LYS A 50 -3.066 3.888 0.993 1.00 1.00 C ATOM 777 NZ LYS A 50 -3.799 4.537 2.120 1.00 1.00 N ATOM 0 H LYS A 50 -3.252 3.347 -2.113 1.00 1.00 H new ATOM 0 HA LYS A 50 -5.745 4.188 -1.274 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -3.386 5.599 -2.546 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -4.855 6.515 -2.275 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -3.699 6.839 -0.218 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -4.768 5.510 0.182 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -2.338 4.402 -0.980 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.877 5.545 0.266 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -3.684 3.104 0.556 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -2.163 3.409 1.370 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -3.686 3.966 2.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -3.413 5.489 2.283 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -4.809 4.609 1.882 1.00 1.00 H new ATOM 791 N LYS A 51 -5.532 4.102 -4.509 1.00 1.00 N ATOM 792 CA LYS A 51 -6.346 4.215 -5.737 1.00 1.00 C ATOM 793 C LYS A 51 -7.476 3.194 -5.644 1.00 1.00 C ATOM 794 O LYS A 51 -8.645 3.522 -5.780 1.00 1.00 O ATOM 795 CB LYS A 51 -5.450 3.859 -6.951 1.00 1.00 C ATOM 796 CG LYS A 51 -5.799 4.729 -8.176 1.00 1.00 C ATOM 797 CD LYS A 51 -4.701 5.782 -8.370 1.00 1.00 C ATOM 798 CE LYS A 51 -5.070 6.685 -9.549 1.00 1.00 C ATOM 799 NZ LYS A 51 -5.418 8.051 -9.072 1.00 1.00 N ATOM 0 H LYS A 51 -4.611 3.680 -4.628 1.00 1.00 H new ATOM 0 HA LYS A 51 -6.747 5.222 -5.850 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -4.402 4.002 -6.687 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -5.575 2.806 -7.202 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -5.886 4.107 -9.067 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -6.764 5.214 -8.031 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -4.587 6.376 -7.463 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -3.743 5.296 -8.555 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -4.235 6.739 -10.248 1.00 1.00 H new ATOM 0 HE3 LYS A 51 -5.913 6.258 -10.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 -5.666 8.650 -9.885 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -6.229 7.996 -8.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -4.603 8.463 -8.574 1.00 1.00 H new ATOM 813 N LEU A 52 -7.092 1.960 -5.390 1.00 1.00 N ATOM 814 CA LEU A 52 -8.106 0.885 -5.270 1.00 1.00 C ATOM 815 C LEU A 52 -9.091 1.262 -4.171 1.00 1.00 C ATOM 816 O LEU A 52 -10.222 0.813 -4.162 1.00 1.00 O ATOM 817 CB LEU A 52 -7.356 -0.463 -4.943 1.00 1.00 C ATOM 818 CG LEU A 52 -8.058 -1.265 -3.802 1.00 1.00 C ATOM 819 CD1 LEU A 52 -7.599 -2.736 -3.860 1.00 1.00 C ATOM 820 CD2 LEU A 52 -7.684 -0.682 -2.407 1.00 1.00 C ATOM 0 H LEU A 52 -6.124 1.663 -5.263 1.00 1.00 H new ATOM 0 HA LEU A 52 -8.666 0.756 -6.196 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -7.309 -1.078 -5.842 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -6.329 -0.244 -4.652 1.00 1.00 H new ATOM 0 HG LEU A 52 -9.137 -1.193 -3.941 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -8.086 -3.301 -3.065 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -7.868 -3.163 -4.826 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -6.518 -2.785 -3.730 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -8.184 -1.256 -1.627 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -6.605 -0.741 -2.265 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -8.001 0.359 -2.351 1.00 1.00 H new ATOM 832 N ASN A 53 -8.647 2.095 -3.270 1.00 1.00 N ATOM 833 CA ASN A 53 -9.538 2.516 -2.173 1.00 1.00 C ATOM 834 C ASN A 53 -10.542 3.546 -2.658 1.00 1.00 C ATOM 835 O ASN A 53 -11.728 3.326 -2.587 1.00 1.00 O ATOM 836 CB ASN A 53 -8.690 3.156 -1.076 1.00 1.00 C ATOM 837 CG ASN A 53 -9.602 3.512 0.100 1.00 1.00 C ATOM 838 OD1 ASN A 53 -10.669 2.964 0.250 1.00 1.00 O ATOM 839 ND2 ASN A 53 -9.228 4.432 0.946 1.00 1.00 N ATOM 0 H ASN A 53 -7.709 2.496 -3.253 1.00 1.00 H new ATOM 0 HA ASN A 53 -10.074 1.642 -1.802 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -7.907 2.469 -0.754 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -8.194 4.050 -1.454 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -9.834 4.684 1.727 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -8.329 4.899 0.827 1.00 1.00 H new ATOM 846 N ASP A 54 -10.042 4.660 -3.139 1.00 1.00 N ATOM 847 CA ASP A 54 -10.954 5.727 -3.636 1.00 1.00 C ATOM 848 C ASP A 54 -12.112 5.131 -4.425 1.00 1.00 C ATOM 849 O ASP A 54 -13.209 5.654 -4.413 1.00 1.00 O ATOM 850 CB ASP A 54 -10.153 6.658 -4.557 1.00 1.00 C ATOM 851 CG ASP A 54 -10.673 8.091 -4.408 1.00 1.00 C ATOM 852 OD1 ASP A 54 -11.858 8.264 -4.640 1.00 1.00 O ATOM 853 OD2 ASP A 54 -9.855 8.933 -4.070 1.00 1.00 O ATOM 0 H ASP A 54 -9.046 4.871 -3.207 1.00 1.00 H new ATOM 0 HA ASP A 54 -11.360 6.272 -2.784 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -9.094 6.615 -4.303 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -10.246 6.331 -5.593 1.00 1.00 H new ATOM 858 N ALA A 55 -11.850 4.047 -5.104 1.00 1.00 N ATOM 859 CA ALA A 55 -12.937 3.410 -5.895 1.00 1.00 C ATOM 860 C ALA A 55 -14.013 2.822 -4.973 1.00 1.00 C ATOM 861 O ALA A 55 -14.894 2.121 -5.418 1.00 1.00 O ATOM 862 CB ALA A 55 -12.326 2.268 -6.717 1.00 1.00 C ATOM 0 H ALA A 55 -10.943 3.582 -5.145 1.00 1.00 H new ATOM 0 HA ALA A 55 -13.397 4.162 -6.537 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -13.106 1.786 -7.306 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -11.563 2.668 -7.384 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -11.874 1.538 -6.046 1.00 1.00 H new ATOM 868 N GLN A 56 -13.917 3.140 -3.709 1.00 1.00 N ATOM 869 CA GLN A 56 -14.911 2.616 -2.722 1.00 1.00 C ATOM 870 C GLN A 56 -15.022 3.558 -1.521 1.00 1.00 C ATOM 871 O GLN A 56 -16.102 3.819 -1.029 1.00 1.00 O ATOM 872 CB GLN A 56 -14.410 1.245 -2.219 1.00 1.00 C ATOM 873 CG GLN A 56 -15.152 0.104 -2.940 1.00 1.00 C ATOM 874 CD GLN A 56 -16.417 -0.264 -2.157 1.00 1.00 C ATOM 875 OE1 GLN A 56 -16.892 0.577 -1.280 1.00 1.00 O flip ATOM 876 NE2 GLN A 56 -16.983 -1.323 -2.340 1.00 1.00 N flip ATOM 0 H GLN A 56 -13.193 3.741 -3.315 1.00 1.00 H new ATOM 0 HA GLN A 56 -15.886 2.533 -3.202 1.00 1.00 H new ATOM 0 HB2 GLN A 56 -13.338 1.157 -2.393 1.00 1.00 H new ATOM 0 HB3 GLN A 56 -14.566 1.166 -1.143 1.00 1.00 H new ATOM 0 HG2 GLN A 56 -15.415 0.411 -3.952 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -14.502 -0.766 -3.030 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -16.617 -1.985 -3.024 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -17.824 -1.550 -1.810 1.00 1.00 H new ATOM 885 N ALA A 57 -13.896 4.043 -1.073 1.00 1.00 N ATOM 886 CA ALA A 57 -13.901 4.966 0.089 1.00 1.00 C ATOM 887 C ALA A 57 -14.985 6.038 -0.082 1.00 1.00 C ATOM 888 O ALA A 57 -15.517 6.209 -1.160 1.00 1.00 O ATOM 889 CB ALA A 57 -12.528 5.656 0.137 1.00 1.00 C ATOM 0 H ALA A 57 -12.976 3.838 -1.463 1.00 1.00 H new ATOM 0 HA ALA A 57 -14.102 4.409 1.004 1.00 1.00 H new ATOM 0 HB1 ALA A 57 -12.496 6.344 0.982 1.00 1.00 H new ATOM 0 HB2 ALA A 57 -11.747 4.904 0.251 1.00 1.00 H new ATOM 0 HB3 ALA A 57 -12.366 6.209 -0.788 1.00 1.00 H new ATOM 895 N PRO A 58 -15.298 6.750 0.994 1.00 1.00 N ATOM 896 CA PRO A 58 -16.320 7.801 0.939 1.00 1.00 C ATOM 897 C PRO A 58 -15.983 8.850 -0.120 1.00 1.00 C ATOM 898 O PRO A 58 -14.836 9.027 -0.481 1.00 1.00 O ATOM 899 CB PRO A 58 -16.295 8.451 2.338 1.00 1.00 C ATOM 900 CG PRO A 58 -15.250 7.678 3.196 1.00 1.00 C ATOM 901 CD PRO A 58 -14.673 6.556 2.316 1.00 1.00 C ATOM 0 HA PRO A 58 -17.296 7.392 0.676 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -16.027 9.505 2.266 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -17.281 8.403 2.800 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -14.458 8.348 3.532 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -15.718 7.263 4.089 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -13.587 6.623 2.253 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -14.909 5.573 2.724 1.00 1.00 H new ATOM 909 N LYS A 59 -16.994 9.528 -0.596 1.00 1.00 N ATOM 910 CA LYS A 59 -16.761 10.568 -1.634 1.00 1.00 C ATOM 911 C LYS A 59 -16.408 11.913 -0.997 1.00 1.00 C ATOM 912 O LYS A 59 -16.762 12.958 -1.505 1.00 1.00 O ATOM 913 CB LYS A 59 -18.058 10.732 -2.447 1.00 1.00 C ATOM 914 CG LYS A 59 -18.153 9.601 -3.470 1.00 1.00 C ATOM 915 CD LYS A 59 -19.414 9.797 -4.312 1.00 1.00 C ATOM 916 CE LYS A 59 -19.567 8.611 -5.263 1.00 1.00 C ATOM 917 NZ LYS A 59 -19.932 9.077 -6.628 1.00 1.00 N ATOM 0 H LYS A 59 -17.966 9.406 -0.311 1.00 1.00 H new ATOM 0 HA LYS A 59 -15.930 10.258 -2.268 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -18.923 10.713 -1.784 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -18.066 11.698 -2.952 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -17.270 9.596 -4.109 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -18.185 8.636 -2.963 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -20.289 9.877 -3.667 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -19.348 10.727 -4.877 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -18.635 8.047 -5.303 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -20.334 7.933 -4.887 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -20.031 8.257 -7.260 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -20.833 9.595 -6.589 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -19.187 9.705 -6.991 1.00 1.00 H new ATOM 931 N ALA A 60 -15.711 11.865 0.103 1.00 1.00 N ATOM 932 CA ALA A 60 -15.332 13.132 0.776 1.00 1.00 C ATOM 933 C ALA A 60 -16.573 13.929 1.163 1.00 1.00 C ATOM 934 O ALA A 60 -16.392 14.906 1.871 1.00 1.00 O ATOM 935 CB ALA A 60 -14.492 13.968 -0.205 1.00 1.00 C ATOM 936 OXT ALA A 60 -17.637 13.515 0.730 1.00 1.00 O ATOM 0 H ALA A 60 -15.391 11.011 0.560 1.00 1.00 H new ATOM 0 HA ALA A 60 -14.767 12.903 1.680 1.00 1.00 H new ATOM 0 HB1 ALA A 60 -14.203 14.905 0.271 1.00 1.00 H new ATOM 0 HB2 ALA A 60 -13.597 13.411 -0.484 1.00 1.00 H new ATOM 0 HB3 ALA A 60 -15.080 14.181 -1.098 1.00 1.00 H new TER 942 ALA A 60