USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 719 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 70 ASN : amide:sc= -0.364 K(o=-0.78,f=-2.9) USER MOD Set 1.2: A 82 TYR OH : rot 75:sc= -0.416 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0239 (180deg=-0.265) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 164:sc= 0.0463 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -67:sc= 1.58 USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= -0.013 (180deg=-1.41) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0595 USER MOD Single : A 73 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.8) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 77 ASN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.279 1.782 2.405 1.00 53.44 N ATOM 2 CA MET A 1 7.368 3.212 2.133 1.00 54.52 C ATOM 3 C MET A 1 7.872 3.466 0.716 1.00 45.21 C ATOM 4 O MET A 1 8.547 4.463 0.456 1.00 35.13 O ATOM 5 CB MET A 1 8.293 3.889 3.145 1.00 5.24 C ATOM 6 CG MET A 1 7.942 5.344 3.413 1.00 33.53 C ATOM 7 SD MET A 1 7.240 5.598 5.055 1.00 64.51 S ATOM 8 CE MET A 1 7.997 7.156 5.509 1.00 53.44 C ATOM 0 H1 MET A 1 7.150 1.630 3.426 1.00 53.44 H new ATOM 0 H2 MET A 1 6.470 1.380 1.890 1.00 53.44 H new ATOM 0 H3 MET A 1 8.154 1.314 2.093 1.00 53.44 H new ATOM 0 HA MET A 1 6.368 3.637 2.225 1.00 54.52 H new ATOM 0 HB2 MET A 1 8.257 3.336 4.084 1.00 5.24 H new ATOM 0 HB3 MET A 1 9.319 3.833 2.781 1.00 5.24 H new ATOM 0 HG2 MET A 1 8.838 5.955 3.307 1.00 33.53 H new ATOM 0 HG3 MET A 1 7.231 5.687 2.661 1.00 33.53 H new ATOM 0 HE1 MET A 1 7.660 7.448 6.504 1.00 53.44 H new ATOM 0 HE2 MET A 1 9.082 7.047 5.511 1.00 53.44 H new ATOM 0 HE3 MET A 1 7.711 7.923 4.789 1.00 53.44 H new ATOM 18 N SER A 2 7.542 2.558 -0.197 1.00 23.02 N ATOM 19 CA SER A 2 7.966 2.682 -1.587 1.00 21.24 C ATOM 20 C SER A 2 7.055 1.875 -2.506 1.00 55.14 C ATOM 21 O SER A 2 7.511 1.276 -3.479 1.00 62.14 O ATOM 22 CB SER A 2 9.413 2.212 -1.744 1.00 65.03 C ATOM 23 OG SER A 2 9.610 0.951 -1.128 1.00 44.04 O ATOM 0 H SER A 2 6.982 1.728 0.001 1.00 23.02 H new ATOM 0 HA SER A 2 7.900 3.733 -1.870 1.00 21.24 H new ATOM 0 HB2 SER A 2 9.664 2.146 -2.803 1.00 65.03 H new ATOM 0 HB3 SER A 2 10.087 2.946 -1.301 1.00 65.03 H new ATOM 0 HG SER A 2 10.542 0.672 -1.244 1.00 44.04 H new ATOM 29 N GLN A 3 5.764 1.866 -2.190 1.00 33.42 N ATOM 30 CA GLN A 3 4.788 1.132 -2.987 1.00 14.20 C ATOM 31 C GLN A 3 3.826 2.088 -3.686 1.00 5.45 C ATOM 32 O GLN A 3 2.797 2.466 -3.128 1.00 72.32 O ATOM 33 CB GLN A 3 4.005 0.158 -2.104 1.00 41.42 C ATOM 34 CG GLN A 3 4.500 -1.276 -2.194 1.00 72.22 C ATOM 35 CD GLN A 3 3.644 -2.240 -1.396 1.00 1.22 C ATOM 36 OE1 GLN A 3 3.990 -2.612 -0.274 1.00 72.32 O ATOM 37 NE2 GLN A 3 2.519 -2.649 -1.971 1.00 23.12 N ATOM 0 H GLN A 3 5.370 2.358 -1.388 1.00 33.42 H new ATOM 0 HA GLN A 3 5.328 0.568 -3.747 1.00 14.20 H new ATOM 0 HB2 GLN A 3 4.066 0.490 -1.068 1.00 41.42 H new ATOM 0 HB3 GLN A 3 2.953 0.189 -2.387 1.00 41.42 H new ATOM 0 HG2 GLN A 3 4.513 -1.587 -3.239 1.00 72.22 H new ATOM 0 HG3 GLN A 3 5.528 -1.325 -1.834 1.00 72.22 H new ATOM 0 HE21 GLN A 3 2.272 -2.315 -2.902 1.00 23.12 H new ATOM 0 HE22 GLN A 3 1.902 -3.297 -1.481 1.00 23.12 H new ATOM 46 N ASN A 4 4.171 2.477 -4.909 1.00 71.31 N ATOM 47 CA ASN A 4 3.339 3.390 -5.684 1.00 13.13 C ATOM 48 C ASN A 4 2.804 2.707 -6.939 1.00 43.30 C ATOM 49 O ASN A 4 3.571 2.175 -7.741 1.00 74.12 O ATOM 50 CB ASN A 4 4.136 4.638 -6.069 1.00 23.24 C ATOM 51 CG ASN A 4 3.909 5.789 -5.107 1.00 70.44 C ATOM 52 OD1 ASN A 4 3.079 6.664 -5.355 1.00 22.24 O ATOM 53 ND2 ASN A 4 4.648 5.792 -4.004 1.00 14.22 N ATOM 0 H ASN A 4 5.021 2.174 -5.385 1.00 71.31 H new ATOM 0 HA ASN A 4 2.493 3.685 -5.064 1.00 13.13 H new ATOM 0 HB2 ASN A 4 5.198 4.394 -6.095 1.00 23.24 H new ATOM 0 HB3 ASN A 4 3.856 4.949 -7.075 1.00 23.24 H new ATOM 0 HD21 ASN A 4 4.540 6.541 -3.320 1.00 14.22 H new ATOM 0 HD22 ASN A 4 5.324 5.045 -3.841 1.00 14.22 H new ATOM 60 N GLU A 5 1.485 2.728 -7.101 1.00 60.14 N ATOM 61 CA GLU A 5 0.849 2.110 -8.259 1.00 52.41 C ATOM 62 C GLU A 5 0.447 3.165 -9.286 1.00 51.10 C ATOM 63 O GLU A 5 0.455 4.361 -8.997 1.00 51.24 O ATOM 64 CB GLU A 5 -0.381 1.310 -7.826 1.00 70.52 C ATOM 65 CG GLU A 5 -1.420 2.140 -7.092 1.00 33.44 C ATOM 66 CD GLU A 5 -1.360 1.952 -5.588 1.00 51.21 C ATOM 67 OE1 GLU A 5 -1.473 0.796 -5.130 1.00 64.30 O ATOM 68 OE2 GLU A 5 -1.201 2.961 -4.870 1.00 2.03 O ATOM 0 H GLU A 5 0.837 3.165 -6.446 1.00 60.14 H new ATOM 0 HA GLU A 5 1.569 1.434 -8.720 1.00 52.41 H new ATOM 0 HB2 GLU A 5 -0.842 0.863 -8.707 1.00 70.52 H new ATOM 0 HB3 GLU A 5 -0.062 0.490 -7.182 1.00 70.52 H new ATOM 0 HG2 GLU A 5 -1.272 3.194 -7.329 1.00 33.44 H new ATOM 0 HG3 GLU A 5 -2.414 1.870 -7.449 1.00 33.44 H new ATOM 75 N GLU A 6 0.097 2.711 -10.486 1.00 15.55 N ATOM 76 CA GLU A 6 -0.307 3.616 -11.556 1.00 0.13 C ATOM 77 C GLU A 6 -1.711 3.281 -12.050 1.00 52.54 C ATOM 78 O GLU A 6 -1.879 2.612 -13.069 1.00 44.03 O ATOM 79 CB GLU A 6 0.686 3.542 -12.717 1.00 40.45 C ATOM 80 CG GLU A 6 1.776 4.599 -12.655 1.00 12.33 C ATOM 81 CD GLU A 6 2.577 4.688 -13.939 1.00 53.52 C ATOM 82 OE1 GLU A 6 2.043 5.223 -14.934 1.00 64.12 O ATOM 83 OE2 GLU A 6 3.736 4.224 -13.950 1.00 13.11 O ATOM 0 H GLU A 6 0.085 1.723 -10.741 1.00 15.55 H new ATOM 0 HA GLU A 6 -0.314 4.630 -11.157 1.00 0.13 H new ATOM 0 HB2 GLU A 6 1.149 2.555 -12.726 1.00 40.45 H new ATOM 0 HB3 GLU A 6 0.143 3.647 -13.656 1.00 40.45 H new ATOM 0 HG2 GLU A 6 1.325 5.569 -12.445 1.00 12.33 H new ATOM 0 HG3 GLU A 6 2.448 4.374 -11.827 1.00 12.33 H new ATOM 90 N ALA A 7 -2.717 3.752 -11.320 1.00 51.15 N ATOM 91 CA ALA A 7 -4.107 3.505 -11.685 1.00 24.31 C ATOM 92 C ALA A 7 -4.439 4.128 -13.036 1.00 51.23 C ATOM 93 O ALA A 7 -3.748 5.025 -13.520 1.00 61.23 O ATOM 94 CB ALA A 7 -5.038 4.043 -10.609 1.00 53.54 C ATOM 0 H ALA A 7 -2.595 4.307 -10.473 1.00 51.15 H new ATOM 0 HA ALA A 7 -4.250 2.428 -11.768 1.00 24.31 H new ATOM 0 HB1 ALA A 7 -6.073 3.852 -10.894 1.00 53.54 H new ATOM 0 HB2 ALA A 7 -4.825 3.547 -9.662 1.00 53.54 H new ATOM 0 HB3 ALA A 7 -4.884 5.116 -10.498 1.00 53.54 H new ATOM 100 N PRO A 8 -5.522 3.644 -13.662 1.00 31.30 N ATOM 101 CA PRO A 8 -5.970 4.139 -14.967 1.00 14.44 C ATOM 102 C PRO A 8 -6.529 5.556 -14.888 1.00 2.11 C ATOM 103 O PRO A 8 -7.056 5.969 -13.855 1.00 42.13 O ATOM 104 CB PRO A 8 -7.071 3.152 -15.362 1.00 72.00 C ATOM 105 CG PRO A 8 -7.577 2.611 -14.069 1.00 51.14 C ATOM 106 CD PRO A 8 -6.393 2.575 -13.144 1.00 4.13 C ATOM 0 HA PRO A 8 -5.151 4.195 -15.685 1.00 14.44 H new ATOM 0 HB2 PRO A 8 -7.865 3.647 -15.921 1.00 72.00 H new ATOM 0 HB3 PRO A 8 -6.681 2.357 -15.998 1.00 72.00 H new ATOM 0 HG2 PRO A 8 -8.369 3.242 -13.665 1.00 51.14 H new ATOM 0 HG3 PRO A 8 -7.999 1.615 -14.201 1.00 51.14 H new ATOM 0 HD2 PRO A 8 -6.685 2.760 -12.110 1.00 4.13 H new ATOM 0 HD3 PRO A 8 -5.895 1.605 -13.166 1.00 4.13 H new ATOM 114 N ALA A 9 -6.410 6.296 -15.986 1.00 30.15 N ATOM 115 CA ALA A 9 -6.905 7.666 -16.041 1.00 34.42 C ATOM 116 C ALA A 9 -7.852 7.860 -17.221 1.00 23.13 C ATOM 117 O ALA A 9 -8.901 8.491 -17.090 1.00 21.52 O ATOM 118 CB ALA A 9 -5.743 8.644 -16.127 1.00 54.10 C ATOM 0 H ALA A 9 -5.975 5.970 -16.849 1.00 30.15 H new ATOM 0 HA ALA A 9 -7.463 7.862 -15.125 1.00 34.42 H new ATOM 0 HB1 ALA A 9 -6.127 9.663 -16.167 1.00 54.10 H new ATOM 0 HB2 ALA A 9 -5.106 8.531 -15.249 1.00 54.10 H new ATOM 0 HB3 ALA A 9 -5.161 8.440 -17.026 1.00 54.10 H new ATOM 124 N ARG A 10 -7.474 7.315 -18.372 1.00 63.04 N ATOM 125 CA ARG A 10 -8.288 7.430 -19.576 1.00 52.40 C ATOM 126 C ARG A 10 -9.463 6.457 -19.533 1.00 43.21 C ATOM 127 O ARG A 10 -10.517 6.715 -20.114 1.00 10.12 O ATOM 128 CB ARG A 10 -7.438 7.166 -20.820 1.00 52.01 C ATOM 129 CG ARG A 10 -6.854 5.764 -20.872 1.00 22.12 C ATOM 130 CD ARG A 10 -5.405 5.781 -21.334 1.00 32.30 C ATOM 131 NE ARG A 10 -4.541 6.497 -20.400 1.00 21.02 N ATOM 132 CZ ARG A 10 -3.252 6.729 -20.621 1.00 63.51 C ATOM 133 NH1 ARG A 10 -2.681 6.303 -21.739 1.00 62.24 N ATOM 134 NH2 ARG A 10 -2.531 7.388 -19.723 1.00 30.31 N ATOM 0 H ARG A 10 -6.609 6.789 -18.496 1.00 63.04 H new ATOM 0 HA ARG A 10 -8.681 8.446 -19.623 1.00 52.40 H new ATOM 0 HB2 ARG A 10 -8.048 7.329 -21.708 1.00 52.01 H new ATOM 0 HB3 ARG A 10 -6.625 7.891 -20.854 1.00 52.01 H new ATOM 0 HG2 ARG A 10 -6.917 5.306 -19.885 1.00 22.12 H new ATOM 0 HG3 ARG A 10 -7.446 5.147 -21.548 1.00 22.12 H new ATOM 0 HD2 ARG A 10 -5.048 4.757 -21.446 1.00 32.30 H new ATOM 0 HD3 ARG A 10 -5.343 6.249 -22.316 1.00 32.30 H new ATOM 0 HE ARG A 10 -4.950 6.838 -19.530 1.00 21.02 H new ATOM 0 HH11 ARG A 10 -3.232 5.796 -22.432 1.00 62.24 H new ATOM 0 HH12 ARG A 10 -1.691 6.482 -21.906 1.00 62.24 H new ATOM 0 HH21 ARG A 10 -2.967 7.717 -18.861 1.00 30.31 H new ATOM 0 HH22 ARG A 10 -1.541 7.565 -19.894 1.00 30.31 H new ATOM 148 N SER A 11 -9.272 5.338 -18.842 1.00 32.00 N ATOM 149 CA SER A 11 -10.314 4.324 -18.727 1.00 2.02 C ATOM 150 C SER A 11 -11.143 4.538 -17.464 1.00 60.11 C ATOM 151 O SER A 11 -10.652 5.066 -16.467 1.00 63.33 O ATOM 152 CB SER A 11 -9.694 2.925 -18.713 1.00 11.32 C ATOM 153 OG SER A 11 -10.103 2.175 -19.843 1.00 71.03 O ATOM 0 H SER A 11 -8.406 5.110 -18.354 1.00 32.00 H new ATOM 0 HA SER A 11 -10.971 4.414 -19.592 1.00 2.02 H new ATOM 0 HB2 SER A 11 -8.607 3.006 -18.700 1.00 11.32 H new ATOM 0 HB3 SER A 11 -9.986 2.404 -17.801 1.00 11.32 H new ATOM 0 HG SER A 11 -9.692 1.286 -19.812 1.00 71.03 H new ATOM 159 N GLY A 12 -12.405 4.123 -17.515 1.00 54.42 N ATOM 160 CA GLY A 12 -13.284 4.278 -16.370 1.00 62.14 C ATOM 161 C GLY A 12 -13.666 5.724 -16.124 1.00 21.12 C ATOM 162 O GLY A 12 -13.730 6.524 -17.056 1.00 74.12 O ATOM 0 H GLY A 12 -12.835 3.682 -18.328 1.00 54.42 H new ATOM 0 HA2 GLY A 12 -14.187 3.688 -16.527 1.00 62.14 H new ATOM 0 HA3 GLY A 12 -12.793 3.879 -15.482 1.00 62.14 H new ATOM 166 N GLY A 13 -13.922 6.060 -14.863 1.00 41.31 N ATOM 167 CA GLY A 13 -14.298 7.419 -14.520 1.00 14.13 C ATOM 168 C GLY A 13 -13.099 8.290 -14.202 1.00 54.32 C ATOM 169 O GLY A 13 -11.970 7.805 -14.132 1.00 32.40 O ATOM 0 H GLY A 13 -13.876 5.416 -14.074 1.00 41.31 H new ATOM 0 HA2 GLY A 13 -14.853 7.859 -15.348 1.00 14.13 H new ATOM 0 HA3 GLY A 13 -14.968 7.401 -13.661 1.00 14.13 H new ATOM 173 N LYS A 14 -13.343 9.582 -14.011 1.00 40.51 N ATOM 174 CA LYS A 14 -12.275 10.525 -13.700 1.00 0.02 C ATOM 175 C LYS A 14 -12.762 11.599 -12.732 1.00 51.15 C ATOM 176 O LYS A 14 -13.877 12.106 -12.861 1.00 63.45 O ATOM 177 CB LYS A 14 -11.753 11.177 -14.982 1.00 4.31 C ATOM 178 CG LYS A 14 -12.841 11.820 -15.824 1.00 41.12 C ATOM 179 CD LYS A 14 -12.626 13.318 -15.964 1.00 33.10 C ATOM 180 CE LYS A 14 -11.316 13.630 -16.671 1.00 20.44 C ATOM 181 NZ LYS A 14 -11.331 14.981 -17.297 1.00 33.41 N ATOM 0 H LYS A 14 -14.272 10.000 -14.066 1.00 40.51 H new ATOM 0 HA LYS A 14 -11.464 9.973 -13.224 1.00 0.02 H new ATOM 0 HB2 LYS A 14 -11.013 11.934 -14.720 1.00 4.31 H new ATOM 0 HB3 LYS A 14 -11.240 10.424 -15.580 1.00 4.31 H new ATOM 0 HG2 LYS A 14 -12.857 11.360 -16.812 1.00 41.12 H new ATOM 0 HG3 LYS A 14 -13.813 11.632 -15.369 1.00 41.12 H new ATOM 0 HD2 LYS A 14 -13.454 13.755 -16.522 1.00 33.10 H new ATOM 0 HD3 LYS A 14 -12.627 13.780 -14.977 1.00 33.10 H new ATOM 0 HE2 LYS A 14 -10.495 13.570 -15.957 1.00 20.44 H new ATOM 0 HE3 LYS A 14 -11.128 12.877 -17.437 1.00 20.44 H new ATOM 0 HZ1 LYS A 14 -10.421 15.155 -17.768 1.00 33.41 H new ATOM 0 HZ2 LYS A 14 -12.099 15.031 -17.997 1.00 33.41 H new ATOM 0 HZ3 LYS A 14 -11.484 15.702 -16.563 1.00 33.41 H new ATOM 195 N VAL A 15 -11.919 11.943 -11.764 1.00 51.41 N ATOM 196 CA VAL A 15 -12.263 12.959 -10.777 1.00 1.55 C ATOM 197 C VAL A 15 -11.051 13.814 -10.422 1.00 71.04 C ATOM 198 O VAL A 15 -9.911 13.353 -10.488 1.00 60.11 O ATOM 199 CB VAL A 15 -12.823 12.325 -9.490 1.00 34.30 C ATOM 200 CG1 VAL A 15 -13.381 13.396 -8.565 1.00 75.32 C ATOM 201 CG2 VAL A 15 -13.888 11.292 -9.826 1.00 71.53 C ATOM 0 H VAL A 15 -10.993 11.533 -11.642 1.00 51.41 H new ATOM 0 HA VAL A 15 -13.030 13.589 -11.227 1.00 1.55 H new ATOM 0 HB VAL A 15 -12.009 11.819 -8.971 1.00 34.30 H new ATOM 0 HG11 VAL A 15 -13.772 12.929 -7.661 1.00 75.32 H new ATOM 0 HG12 VAL A 15 -12.589 14.095 -8.298 1.00 75.32 H new ATOM 0 HG13 VAL A 15 -14.183 13.933 -9.072 1.00 75.32 H new ATOM 0 HG21 VAL A 15 -14.273 10.854 -8.905 1.00 71.53 H new ATOM 0 HG22 VAL A 15 -14.703 11.772 -10.368 1.00 71.53 H new ATOM 0 HG23 VAL A 15 -13.452 10.509 -10.446 1.00 71.53 H new ATOM 211 N THR A 16 -11.305 15.063 -10.045 1.00 45.55 N ATOM 212 CA THR A 16 -10.235 15.984 -9.681 1.00 62.21 C ATOM 213 C THR A 16 -10.608 16.801 -8.450 1.00 14.31 C ATOM 214 O THR A 16 -11.689 17.387 -8.386 1.00 15.11 O ATOM 215 CB THR A 16 -9.901 16.944 -10.839 1.00 22.44 C ATOM 216 OG1 THR A 16 -8.865 17.849 -10.441 1.00 15.21 O ATOM 217 CG2 THR A 16 -11.133 17.729 -11.263 1.00 63.43 C ATOM 0 H THR A 16 -12.242 15.460 -9.984 1.00 45.55 H new ATOM 0 HA THR A 16 -9.358 15.377 -9.458 1.00 62.21 H new ATOM 0 HB THR A 16 -9.558 16.351 -11.687 1.00 22.44 H new ATOM 0 HG1 THR A 16 -8.657 18.455 -11.183 1.00 15.21 H new ATOM 0 HG21 THR A 16 -10.873 18.400 -12.082 1.00 63.43 H new ATOM 0 HG22 THR A 16 -11.909 17.038 -11.593 1.00 63.43 H new ATOM 0 HG23 THR A 16 -11.501 18.312 -10.419 1.00 63.43 H new ATOM 225 N PHE A 17 -9.707 16.838 -7.474 1.00 35.42 N ATOM 226 CA PHE A 17 -9.943 17.584 -6.243 1.00 71.03 C ATOM 227 C PHE A 17 -8.867 18.645 -6.036 1.00 44.44 C ATOM 228 O PHE A 17 -7.760 18.534 -6.565 1.00 54.22 O ATOM 229 CB PHE A 17 -9.976 16.634 -5.044 1.00 41.31 C ATOM 230 CG PHE A 17 -11.001 15.544 -5.171 1.00 31.21 C ATOM 231 CD1 PHE A 17 -10.653 14.219 -4.961 1.00 4.40 C ATOM 232 CD2 PHE A 17 -12.313 15.843 -5.501 1.00 11.34 C ATOM 233 CE1 PHE A 17 -11.594 13.213 -5.076 1.00 44.55 C ATOM 234 CE2 PHE A 17 -13.258 14.842 -5.617 1.00 74.11 C ATOM 235 CZ PHE A 17 -12.898 13.525 -5.406 1.00 50.30 C ATOM 0 H PHE A 17 -8.807 16.360 -7.511 1.00 35.42 H new ATOM 0 HA PHE A 17 -10.908 18.083 -6.329 1.00 71.03 H new ATOM 0 HB2 PHE A 17 -8.991 16.183 -4.921 1.00 41.31 H new ATOM 0 HB3 PHE A 17 -10.179 17.209 -4.140 1.00 41.31 H new ATOM 0 HD1 PHE A 17 -9.634 13.969 -4.704 1.00 4.40 H new ATOM 0 HD2 PHE A 17 -12.600 16.870 -5.669 1.00 11.34 H new ATOM 0 HE1 PHE A 17 -11.310 12.185 -4.908 1.00 44.55 H new ATOM 0 HE2 PHE A 17 -14.278 15.089 -5.873 1.00 74.11 H new ATOM 0 HZ PHE A 17 -13.635 12.741 -5.499 1.00 50.30 H new ATOM 245 N ARG A 18 -9.199 19.674 -5.264 1.00 55.50 N ATOM 246 CA ARG A 18 -8.263 20.757 -4.988 1.00 41.23 C ATOM 247 C ARG A 18 -7.881 20.782 -3.511 1.00 44.42 C ATOM 248 O ARG A 18 -8.745 20.738 -2.636 1.00 12.24 O ATOM 249 CB ARG A 18 -8.871 22.102 -5.392 1.00 33.53 C ATOM 250 CG ARG A 18 -8.695 22.432 -6.865 1.00 0.44 C ATOM 251 CD ARG A 18 -9.911 22.018 -7.678 1.00 53.50 C ATOM 252 NE ARG A 18 -10.067 22.830 -8.882 1.00 1.51 N ATOM 253 CZ ARG A 18 -11.126 22.764 -9.681 1.00 41.51 C ATOM 254 NH1 ARG A 18 -12.118 21.929 -9.405 1.00 64.23 N ATOM 255 NH2 ARG A 18 -11.195 23.536 -10.759 1.00 24.15 N ATOM 0 H ARG A 18 -10.110 19.781 -4.818 1.00 55.50 H new ATOM 0 HA ARG A 18 -7.362 20.583 -5.576 1.00 41.23 H new ATOM 0 HB2 ARG A 18 -9.935 22.096 -5.154 1.00 33.53 H new ATOM 0 HB3 ARG A 18 -8.415 22.891 -4.794 1.00 33.53 H new ATOM 0 HG2 ARG A 18 -8.526 23.502 -6.981 1.00 0.44 H new ATOM 0 HG3 ARG A 18 -7.810 21.925 -7.249 1.00 0.44 H new ATOM 0 HD2 ARG A 18 -9.820 20.969 -7.958 1.00 53.50 H new ATOM 0 HD3 ARG A 18 -10.806 22.107 -7.062 1.00 53.50 H new ATOM 0 HE ARG A 18 -9.322 23.484 -9.122 1.00 1.51 H new ATOM 0 HH11 ARG A 18 -12.069 21.335 -8.577 1.00 64.23 H new ATOM 0 HH12 ARG A 18 -12.930 21.881 -10.020 1.00 64.23 H new ATOM 0 HH21 ARG A 18 -10.434 24.181 -10.974 1.00 24.15 H new ATOM 0 HH22 ARG A 18 -12.009 23.485 -11.372 1.00 24.15 H new ATOM 269 N ILE A 19 -6.581 20.853 -3.243 1.00 12.11 N ATOM 270 CA ILE A 19 -6.085 20.885 -1.873 1.00 34.44 C ATOM 271 C ILE A 19 -5.603 22.281 -1.495 1.00 24.13 C ATOM 272 O ILE A 19 -4.842 22.907 -2.234 1.00 34.21 O ATOM 273 CB ILE A 19 -4.934 19.883 -1.667 1.00 70.43 C ATOM 274 CG1 ILE A 19 -5.336 18.498 -2.181 1.00 2.41 C ATOM 275 CG2 ILE A 19 -4.545 19.816 -0.198 1.00 35.01 C ATOM 276 CD1 ILE A 19 -4.212 17.487 -2.134 1.00 71.11 C ATOM 0 H ILE A 19 -5.853 20.889 -3.956 1.00 12.11 H new ATOM 0 HA ILE A 19 -6.919 20.605 -1.229 1.00 34.44 H new ATOM 0 HB ILE A 19 -4.069 20.225 -2.236 1.00 70.43 H new ATOM 0 HG12 ILE A 19 -6.172 18.128 -1.588 1.00 2.41 H new ATOM 0 HG13 ILE A 19 -5.689 18.589 -3.208 1.00 2.41 H new ATOM 0 HG21 ILE A 19 -3.730 19.103 -0.069 1.00 35.01 H new ATOM 0 HG22 ILE A 19 -4.222 20.801 0.138 1.00 35.01 H new ATOM 0 HG23 ILE A 19 -5.404 19.495 0.392 1.00 35.01 H new ATOM 0 HD11 ILE A 19 -4.568 16.529 -2.513 1.00 71.11 H new ATOM 0 HD12 ILE A 19 -3.383 17.835 -2.750 1.00 71.11 H new ATOM 0 HD13 ILE A 19 -3.873 17.367 -1.105 1.00 71.11 H new ATOM 288 N ILE A 20 -6.048 22.762 -0.339 1.00 3.11 N ATOM 289 CA ILE A 20 -5.659 24.083 0.139 1.00 44.25 C ATOM 290 C ILE A 20 -5.021 24.002 1.522 1.00 53.25 C ATOM 291 O ILE A 20 -5.700 23.738 2.515 1.00 4.23 O ATOM 292 CB ILE A 20 -6.865 25.039 0.197 1.00 70.33 C ATOM 293 CG1 ILE A 20 -7.474 25.211 -1.196 1.00 52.32 C ATOM 294 CG2 ILE A 20 -6.447 26.385 0.769 1.00 52.14 C ATOM 295 CD1 ILE A 20 -8.474 24.135 -1.556 1.00 15.01 C ATOM 0 H ILE A 20 -6.678 22.257 0.284 1.00 3.11 H new ATOM 0 HA ILE A 20 -4.931 24.473 -0.572 1.00 44.25 H new ATOM 0 HB ILE A 20 -7.621 24.607 0.853 1.00 70.33 H new ATOM 0 HG12 ILE A 20 -7.963 26.183 -1.252 1.00 52.32 H new ATOM 0 HG13 ILE A 20 -6.673 25.214 -1.936 1.00 52.32 H new ATOM 0 HG21 ILE A 20 -7.310 27.050 0.804 1.00 52.14 H new ATOM 0 HG22 ILE A 20 -6.055 26.246 1.777 1.00 52.14 H new ATOM 0 HG23 ILE A 20 -5.675 26.825 0.137 1.00 52.14 H new ATOM 0 HD11 ILE A 20 -8.864 24.321 -2.557 1.00 15.01 H new ATOM 0 HD12 ILE A 20 -7.985 23.161 -1.533 1.00 15.01 H new ATOM 0 HD13 ILE A 20 -9.295 24.146 -0.839 1.00 15.01 H new ATOM 307 N LEU A 21 -3.714 24.233 1.579 1.00 73.41 N ATOM 308 CA LEU A 21 -2.984 24.188 2.841 1.00 32.21 C ATOM 309 C LEU A 21 -2.782 25.591 3.403 1.00 13.34 C ATOM 310 O LEU A 21 -2.741 26.571 2.658 1.00 13.04 O ATOM 311 CB LEU A 21 -1.630 23.505 2.645 1.00 24.34 C ATOM 312 CG LEU A 21 -1.204 22.531 3.745 1.00 71.44 C ATOM 313 CD1 LEU A 21 -1.159 21.108 3.209 1.00 32.01 C ATOM 314 CD2 LEU A 21 0.148 22.930 4.317 1.00 62.10 C ATOM 0 H LEU A 21 -3.138 24.453 0.766 1.00 73.41 H new ATOM 0 HA LEU A 21 -3.574 23.613 3.554 1.00 32.21 H new ATOM 0 HB2 LEU A 21 -1.651 22.966 1.698 1.00 24.34 H new ATOM 0 HB3 LEU A 21 -0.866 24.277 2.555 1.00 24.34 H new ATOM 0 HG LEU A 21 -1.941 22.573 4.547 1.00 71.44 H new ATOM 0 HD11 LEU A 21 -0.854 20.429 4.005 1.00 32.01 H new ATOM 0 HD12 LEU A 21 -2.147 20.824 2.848 1.00 32.01 H new ATOM 0 HD13 LEU A 21 -0.443 21.051 2.389 1.00 32.01 H new ATOM 0 HD21 LEU A 21 0.435 22.226 5.098 1.00 62.10 H new ATOM 0 HD22 LEU A 21 0.896 22.918 3.525 1.00 62.10 H new ATOM 0 HD23 LEU A 21 0.083 23.933 4.739 1.00 62.10 H new ATOM 326 N THR A 22 -2.654 25.682 4.724 1.00 74.44 N ATOM 327 CA THR A 22 -2.456 26.964 5.386 1.00 5.42 C ATOM 328 C THR A 22 -0.975 27.233 5.631 1.00 31.24 C ATOM 329 O THR A 22 -0.557 28.383 5.764 1.00 63.11 O ATOM 330 CB THR A 22 -3.206 27.025 6.730 1.00 30.10 C ATOM 331 OG1 THR A 22 -3.111 28.341 7.285 1.00 1.34 O ATOM 332 CG2 THR A 22 -2.638 26.012 7.713 1.00 54.10 C ATOM 0 H THR A 22 -2.684 24.882 5.356 1.00 74.44 H new ATOM 0 HA THR A 22 -2.857 27.728 4.720 1.00 5.42 H new ATOM 0 HB THR A 22 -4.253 26.783 6.548 1.00 30.10 H new ATOM 0 HG1 THR A 22 -3.592 28.372 8.138 1.00 1.34 H new ATOM 0 HG21 THR A 22 -3.183 26.074 8.655 1.00 54.10 H new ATOM 0 HG22 THR A 22 -2.739 25.008 7.300 1.00 54.10 H new ATOM 0 HG23 THR A 22 -1.584 26.227 7.889 1.00 54.10 H new ATOM 340 N SER A 23 -0.186 26.164 5.690 1.00 15.52 N ATOM 341 CA SER A 23 1.248 26.285 5.923 1.00 40.23 C ATOM 342 C SER A 23 1.997 26.475 4.607 1.00 24.14 C ATOM 343 O SER A 23 3.156 26.889 4.596 1.00 62.43 O ATOM 344 CB SER A 23 1.775 25.046 6.649 1.00 75.44 C ATOM 345 OG SER A 23 3.057 25.285 7.202 1.00 13.14 O ATOM 0 H SER A 23 -0.516 25.205 5.580 1.00 15.52 H new ATOM 0 HA SER A 23 1.417 27.162 6.548 1.00 40.23 H new ATOM 0 HB2 SER A 23 1.081 24.762 7.441 1.00 75.44 H new ATOM 0 HB3 SER A 23 1.826 24.208 5.954 1.00 75.44 H new ATOM 0 HG SER A 23 3.371 24.478 7.662 1.00 13.14 H new ATOM 351 N GLU A 24 1.326 26.169 3.502 1.00 61.15 N ATOM 352 CA GLU A 24 1.929 26.305 2.181 1.00 73.23 C ATOM 353 C GLU A 24 1.410 27.553 1.472 1.00 60.42 C ATOM 354 O GLU A 24 0.763 27.463 0.428 1.00 32.24 O ATOM 355 CB GLU A 24 1.637 25.065 1.333 1.00 62.13 C ATOM 356 CG GLU A 24 2.695 24.786 0.278 1.00 2.13 C ATOM 357 CD GLU A 24 2.116 24.697 -1.120 1.00 52.12 C ATOM 358 OE1 GLU A 24 1.672 23.596 -1.509 1.00 2.12 O ATOM 359 OE2 GLU A 24 2.106 25.727 -1.826 1.00 2.23 O ATOM 0 H GLU A 24 0.366 25.826 3.495 1.00 61.15 H new ATOM 0 HA GLU A 24 3.007 26.403 2.310 1.00 73.23 H new ATOM 0 HB2 GLU A 24 1.552 24.198 1.989 1.00 62.13 H new ATOM 0 HB3 GLU A 24 0.671 25.189 0.843 1.00 62.13 H new ATOM 0 HG2 GLU A 24 3.447 25.574 0.306 1.00 2.13 H new ATOM 0 HG3 GLU A 24 3.203 23.852 0.517 1.00 2.13 H new ATOM 366 N ARG A 25 1.699 28.716 2.047 1.00 73.54 N ATOM 367 CA ARG A 25 1.260 29.982 1.472 1.00 64.43 C ATOM 368 C ARG A 25 1.919 30.220 0.116 1.00 73.21 C ATOM 369 O ARG A 25 1.453 31.040 -0.676 1.00 24.42 O ATOM 370 CB ARG A 25 1.588 31.137 2.419 1.00 34.05 C ATOM 371 CG ARG A 25 3.078 31.351 2.627 1.00 0.10 C ATOM 372 CD ARG A 25 3.413 31.547 4.097 1.00 23.23 C ATOM 373 NE ARG A 25 3.925 30.324 4.710 1.00 73.43 N ATOM 374 CZ ARG A 25 5.176 29.901 4.572 1.00 24.30 C ATOM 375 NH1 ARG A 25 6.040 30.599 3.847 1.00 33.05 N ATOM 376 NH2 ARG A 25 5.567 28.777 5.160 1.00 11.23 N ATOM 0 H ARG A 25 2.235 28.808 2.910 1.00 73.54 H new ATOM 0 HA ARG A 25 0.180 29.933 1.329 1.00 64.43 H new ATOM 0 HB2 ARG A 25 1.150 32.054 2.025 1.00 34.05 H new ATOM 0 HB3 ARG A 25 1.119 30.948 3.384 1.00 34.05 H new ATOM 0 HG2 ARG A 25 3.627 30.493 2.239 1.00 0.10 H new ATOM 0 HG3 ARG A 25 3.404 32.222 2.059 1.00 0.10 H new ATOM 0 HD2 ARG A 25 4.154 32.340 4.197 1.00 23.23 H new ATOM 0 HD3 ARG A 25 2.521 31.874 4.631 1.00 23.23 H new ATOM 0 HE ARG A 25 3.286 29.764 5.275 1.00 73.43 H new ATOM 0 HH11 ARG A 25 5.744 31.463 3.394 1.00 33.05 H new ATOM 0 HH12 ARG A 25 7.000 30.271 3.743 1.00 33.05 H new ATOM 0 HH21 ARG A 25 4.906 28.237 5.719 1.00 11.23 H new ATOM 0 HH22 ARG A 25 6.528 28.453 5.053 1.00 11.23 H new ATOM 390 N SER A 26 3.004 29.498 -0.144 1.00 60.03 N ATOM 391 CA SER A 26 3.729 29.634 -1.402 1.00 70.22 C ATOM 392 C SER A 26 2.816 29.342 -2.589 1.00 42.44 C ATOM 393 O SER A 26 2.964 29.933 -3.659 1.00 4.23 O ATOM 394 CB SER A 26 4.933 28.690 -1.426 1.00 73.30 C ATOM 395 OG SER A 26 5.851 29.008 -0.395 1.00 1.30 O ATOM 0 H SER A 26 3.400 28.813 0.499 1.00 60.03 H new ATOM 0 HA SER A 26 4.081 30.663 -1.481 1.00 70.22 H new ATOM 0 HB2 SER A 26 4.594 27.660 -1.311 1.00 73.30 H new ATOM 0 HB3 SER A 26 5.431 28.755 -2.393 1.00 73.30 H new ATOM 0 HG SER A 26 6.610 28.389 -0.431 1.00 1.30 H new ATOM 401 N GLN A 27 1.873 28.427 -2.392 1.00 14.52 N ATOM 402 CA GLN A 27 0.936 28.057 -3.446 1.00 30.30 C ATOM 403 C GLN A 27 -0.102 27.067 -2.928 1.00 74.12 C ATOM 404 O GLN A 27 -0.128 25.898 -3.314 1.00 20.01 O ATOM 405 CB GLN A 27 1.686 27.452 -4.634 1.00 50.32 C ATOM 406 CG GLN A 27 0.984 27.660 -5.966 1.00 75.33 C ATOM 407 CD GLN A 27 1.690 28.671 -6.847 1.00 54.51 C ATOM 408 OE1 GLN A 27 1.346 29.854 -6.853 1.00 20.14 O ATOM 409 NE2 GLN A 27 2.683 28.211 -7.598 1.00 44.52 N ATOM 0 H GLN A 27 1.737 27.928 -1.513 1.00 14.52 H new ATOM 0 HA GLN A 27 0.420 28.960 -3.772 1.00 30.30 H new ATOM 0 HB2 GLN A 27 2.683 27.891 -4.685 1.00 50.32 H new ATOM 0 HB3 GLN A 27 1.817 26.383 -4.465 1.00 50.32 H new ATOM 0 HG2 GLN A 27 0.921 26.707 -6.492 1.00 75.33 H new ATOM 0 HG3 GLN A 27 -0.038 27.993 -5.785 1.00 75.33 H new ATOM 0 HE21 GLN A 27 2.935 27.223 -7.562 1.00 44.52 H new ATOM 0 HE22 GLN A 27 3.195 28.845 -8.211 1.00 44.52 H new ATOM 418 N PRO A 28 -0.980 27.543 -2.033 1.00 0.53 N ATOM 419 CA PRO A 28 -2.037 26.717 -1.443 1.00 20.41 C ATOM 420 C PRO A 28 -3.118 26.350 -2.454 1.00 32.03 C ATOM 421 O PRO A 28 -4.212 26.915 -2.440 1.00 41.34 O ATOM 422 CB PRO A 28 -2.614 27.611 -0.343 1.00 34.22 C ATOM 423 CG PRO A 28 -2.316 29.001 -0.789 1.00 23.55 C ATOM 424 CD PRO A 28 -1.008 28.926 -1.528 1.00 13.44 C ATOM 0 HA PRO A 28 -1.654 25.764 -1.079 1.00 20.41 H new ATOM 0 HB2 PRO A 28 -3.686 27.454 -0.227 1.00 34.22 H new ATOM 0 HB3 PRO A 28 -2.154 27.398 0.622 1.00 34.22 H new ATOM 0 HG2 PRO A 28 -3.108 29.382 -1.434 1.00 23.55 H new ATOM 0 HG3 PRO A 28 -2.245 29.678 0.063 1.00 23.55 H new ATOM 0 HD2 PRO A 28 -0.963 29.651 -2.340 1.00 13.44 H new ATOM 0 HD3 PRO A 28 -0.163 29.131 -0.871 1.00 13.44 H new ATOM 432 N PHE A 29 -2.806 25.400 -3.329 1.00 1.11 N ATOM 433 CA PHE A 29 -3.751 24.958 -4.348 1.00 13.34 C ATOM 434 C PHE A 29 -3.142 23.861 -5.216 1.00 10.32 C ATOM 435 O PHE A 29 -2.633 24.128 -6.305 1.00 31.43 O ATOM 436 CB PHE A 29 -4.179 26.138 -5.223 1.00 11.34 C ATOM 437 CG PHE A 29 -5.585 26.598 -4.963 1.00 12.30 C ATOM 438 CD1 PHE A 29 -6.643 25.706 -5.029 1.00 54.42 C ATOM 439 CD2 PHE A 29 -5.849 27.923 -4.653 1.00 63.12 C ATOM 440 CE1 PHE A 29 -7.938 26.126 -4.790 1.00 55.34 C ATOM 441 CE2 PHE A 29 -7.141 28.348 -4.413 1.00 55.51 C ATOM 442 CZ PHE A 29 -8.188 27.449 -4.483 1.00 2.40 C ATOM 0 H PHE A 29 -1.906 24.921 -3.353 1.00 1.11 H new ATOM 0 HA PHE A 29 -4.628 24.552 -3.843 1.00 13.34 H new ATOM 0 HB2 PHE A 29 -3.496 26.971 -5.056 1.00 11.34 H new ATOM 0 HB3 PHE A 29 -4.086 25.855 -6.272 1.00 11.34 H new ATOM 0 HD1 PHE A 29 -6.454 24.670 -5.270 1.00 54.42 H new ATOM 0 HD2 PHE A 29 -5.035 28.631 -4.599 1.00 63.12 H new ATOM 0 HE1 PHE A 29 -8.754 25.420 -4.843 1.00 55.34 H new ATOM 0 HE2 PHE A 29 -7.333 29.383 -4.171 1.00 55.51 H new ATOM 0 HZ PHE A 29 -9.199 27.780 -4.298 1.00 2.40 H new ATOM 452 N ARG A 30 -3.198 22.627 -4.725 1.00 44.42 N ATOM 453 CA ARG A 30 -2.650 21.490 -5.454 1.00 71.14 C ATOM 454 C ARG A 30 -3.764 20.672 -6.101 1.00 61.23 C ATOM 455 O ARG A 30 -4.629 20.129 -5.414 1.00 53.01 O ATOM 456 CB ARG A 30 -1.830 20.603 -4.516 1.00 62.54 C ATOM 457 CG ARG A 30 -1.182 19.416 -5.212 1.00 13.13 C ATOM 458 CD ARG A 30 -0.052 19.857 -6.129 1.00 31.32 C ATOM 459 NE ARG A 30 1.217 19.974 -5.416 1.00 1.12 N ATOM 460 CZ ARG A 30 2.251 20.676 -5.867 1.00 20.44 C ATOM 461 NH1 ARG A 30 2.166 21.319 -7.023 1.00 2.44 N ATOM 462 NH2 ARG A 30 3.373 20.735 -5.160 1.00 72.32 N ATOM 0 H ARG A 30 -3.617 22.390 -3.826 1.00 44.42 H new ATOM 0 HA ARG A 30 -2.000 21.873 -6.241 1.00 71.14 H new ATOM 0 HB2 ARG A 30 -1.053 21.206 -4.046 1.00 62.54 H new ATOM 0 HB3 ARG A 30 -2.476 20.237 -3.718 1.00 62.54 H new ATOM 0 HG2 ARG A 30 -0.796 18.721 -4.466 1.00 13.13 H new ATOM 0 HG3 ARG A 30 -1.933 18.878 -5.791 1.00 13.13 H new ATOM 0 HD2 ARG A 30 0.055 19.141 -6.943 1.00 31.32 H new ATOM 0 HD3 ARG A 30 -0.304 20.817 -6.580 1.00 31.32 H new ATOM 0 HE ARG A 30 1.315 19.491 -4.523 1.00 1.12 H new ATOM 0 HH11 ARG A 30 1.305 21.276 -7.569 1.00 2.44 H new ATOM 0 HH12 ARG A 30 2.961 21.857 -7.367 1.00 2.44 H new ATOM 0 HH21 ARG A 30 3.442 20.241 -4.270 1.00 72.32 H new ATOM 0 HH22 ARG A 30 4.167 21.274 -5.507 1.00 72.32 H new ATOM 476 N VAL A 31 -3.736 20.588 -7.428 1.00 0.13 N ATOM 477 CA VAL A 31 -4.742 19.836 -8.168 1.00 13.14 C ATOM 478 C VAL A 31 -4.358 18.365 -8.277 1.00 74.22 C ATOM 479 O VAL A 31 -3.295 18.028 -8.799 1.00 31.43 O ATOM 480 CB VAL A 31 -4.943 20.410 -9.583 1.00 34.31 C ATOM 481 CG1 VAL A 31 -5.583 21.788 -9.515 1.00 35.13 C ATOM 482 CG2 VAL A 31 -3.618 20.464 -10.328 1.00 55.43 C ATOM 0 H VAL A 31 -3.027 21.032 -8.012 1.00 0.13 H new ATOM 0 HA VAL A 31 -5.676 19.924 -7.613 1.00 13.14 H new ATOM 0 HB VAL A 31 -5.616 19.751 -10.132 1.00 34.31 H new ATOM 0 HG11 VAL A 31 -5.717 22.177 -10.524 1.00 35.13 H new ATOM 0 HG12 VAL A 31 -6.553 21.715 -9.023 1.00 35.13 H new ATOM 0 HG13 VAL A 31 -4.939 22.461 -8.949 1.00 35.13 H new ATOM 0 HG21 VAL A 31 -3.778 20.872 -11.326 1.00 55.43 H new ATOM 0 HG22 VAL A 31 -2.920 21.100 -9.784 1.00 55.43 H new ATOM 0 HG23 VAL A 31 -3.205 19.459 -10.409 1.00 55.43 H new ATOM 492 N ILE A 32 -5.231 17.493 -7.783 1.00 40.11 N ATOM 493 CA ILE A 32 -4.984 16.057 -7.827 1.00 41.21 C ATOM 494 C ILE A 32 -6.007 15.350 -8.710 1.00 4.30 C ATOM 495 O ILE A 32 -7.214 15.524 -8.541 1.00 25.44 O ATOM 496 CB ILE A 32 -5.022 15.436 -6.418 1.00 61.03 C ATOM 497 CG1 ILE A 32 -6.387 15.674 -5.769 1.00 22.10 C ATOM 498 CG2 ILE A 32 -3.911 16.013 -5.555 1.00 5.43 C ATOM 499 CD1 ILE A 32 -7.218 14.418 -5.633 1.00 32.55 C ATOM 0 H ILE A 32 -6.115 17.756 -7.348 1.00 40.11 H new ATOM 0 HA ILE A 32 -3.988 15.921 -8.248 1.00 41.21 H new ATOM 0 HB ILE A 32 -4.865 14.361 -6.506 1.00 61.03 H new ATOM 0 HG12 ILE A 32 -6.240 16.111 -4.781 1.00 22.10 H new ATOM 0 HG13 ILE A 32 -6.940 16.403 -6.361 1.00 22.10 H new ATOM 0 HG21 ILE A 32 -3.951 15.564 -4.562 1.00 5.43 H new ATOM 0 HG22 ILE A 32 -2.945 15.797 -6.012 1.00 5.43 H new ATOM 0 HG23 ILE A 32 -4.039 17.092 -5.471 1.00 5.43 H new ATOM 0 HD11 ILE A 32 -8.172 14.662 -5.165 1.00 32.55 H new ATOM 0 HD12 ILE A 32 -7.396 13.991 -6.620 1.00 32.55 H new ATOM 0 HD13 ILE A 32 -6.685 13.694 -5.016 1.00 32.55 H new ATOM 511 N SER A 33 -5.515 14.551 -9.652 1.00 15.31 N ATOM 512 CA SER A 33 -6.387 13.819 -10.563 1.00 65.25 C ATOM 513 C SER A 33 -6.453 12.343 -10.183 1.00 64.21 C ATOM 514 O SER A 33 -5.433 11.653 -10.152 1.00 33.44 O ATOM 515 CB SER A 33 -5.891 13.964 -12.004 1.00 1.34 C ATOM 516 OG SER A 33 -5.490 15.296 -12.273 1.00 4.54 O ATOM 0 H SER A 33 -4.519 14.394 -9.804 1.00 15.31 H new ATOM 0 HA SER A 33 -7.389 14.242 -10.486 1.00 65.25 H new ATOM 0 HB2 SER A 33 -5.053 13.287 -12.174 1.00 1.34 H new ATOM 0 HB3 SER A 33 -6.682 13.672 -12.695 1.00 1.34 H new ATOM 0 HG SER A 33 -5.176 15.362 -13.199 1.00 4.54 H new ATOM 522 N ILE A 34 -7.659 11.866 -9.895 1.00 41.10 N ATOM 523 CA ILE A 34 -7.859 10.472 -9.518 1.00 0.42 C ATOM 524 C ILE A 34 -9.189 9.945 -10.046 1.00 42.32 C ATOM 525 O ILE A 34 -10.183 10.669 -10.086 1.00 51.24 O ATOM 526 CB ILE A 34 -7.819 10.292 -7.989 1.00 31.31 C ATOM 527 CG1 ILE A 34 -8.065 8.827 -7.620 1.00 12.31 C ATOM 528 CG2 ILE A 34 -8.849 11.192 -7.322 1.00 65.21 C ATOM 529 CD1 ILE A 34 -8.032 8.566 -6.130 1.00 72.34 C ATOM 0 H ILE A 34 -8.513 12.424 -9.915 1.00 41.10 H new ATOM 0 HA ILE A 34 -7.043 9.904 -9.965 1.00 0.42 H new ATOM 0 HB ILE A 34 -6.830 10.577 -7.630 1.00 31.31 H new ATOM 0 HG12 ILE A 34 -9.034 8.519 -8.013 1.00 12.31 H new ATOM 0 HG13 ILE A 34 -7.312 8.207 -8.106 1.00 12.31 H new ATOM 0 HG21 ILE A 34 -8.808 11.053 -6.242 1.00 65.21 H new ATOM 0 HG22 ILE A 34 -8.633 12.233 -7.562 1.00 65.21 H new ATOM 0 HG23 ILE A 34 -9.845 10.935 -7.683 1.00 65.21 H new ATOM 0 HD11 ILE A 34 -8.214 7.508 -5.942 1.00 72.34 H new ATOM 0 HD12 ILE A 34 -7.055 8.842 -5.734 1.00 72.34 H new ATOM 0 HD13 ILE A 34 -8.803 9.160 -5.639 1.00 72.34 H new ATOM 541 N ALA A 35 -9.199 8.679 -10.449 1.00 60.11 N ATOM 542 CA ALA A 35 -10.407 8.053 -10.971 1.00 54.14 C ATOM 543 C ALA A 35 -11.408 7.776 -9.855 1.00 33.51 C ATOM 544 O ALA A 35 -11.029 7.613 -8.696 1.00 1.33 O ATOM 545 CB ALA A 35 -10.061 6.766 -11.704 1.00 64.41 C ATOM 0 H ALA A 35 -8.384 8.067 -10.424 1.00 60.11 H new ATOM 0 HA ALA A 35 -10.870 8.745 -11.675 1.00 54.14 H new ATOM 0 HB1 ALA A 35 -10.973 6.310 -12.088 1.00 64.41 H new ATOM 0 HB2 ALA A 35 -9.390 6.989 -12.533 1.00 64.41 H new ATOM 0 HB3 ALA A 35 -9.572 6.076 -11.016 1.00 64.41 H new ATOM 551 N GLU A 36 -12.688 7.723 -10.213 1.00 4.13 N ATOM 552 CA GLU A 36 -13.742 7.467 -9.239 1.00 74.42 C ATOM 553 C GLU A 36 -13.550 6.107 -8.574 1.00 70.31 C ATOM 554 O GLU A 36 -14.039 5.870 -7.470 1.00 3.32 O ATOM 555 CB GLU A 36 -15.115 7.527 -9.913 1.00 42.31 C ATOM 556 CG GLU A 36 -16.174 8.223 -9.075 1.00 33.52 C ATOM 557 CD GLU A 36 -17.024 9.181 -9.886 1.00 73.24 C ATOM 558 OE1 GLU A 36 -17.573 10.134 -9.294 1.00 21.40 O ATOM 559 OE2 GLU A 36 -17.141 8.978 -11.113 1.00 12.11 O ATOM 0 H GLU A 36 -13.019 7.854 -11.169 1.00 4.13 H new ATOM 0 HA GLU A 36 -13.687 8.239 -8.471 1.00 74.42 H new ATOM 0 HB2 GLU A 36 -15.020 8.046 -10.867 1.00 42.31 H new ATOM 0 HB3 GLU A 36 -15.447 6.512 -10.133 1.00 42.31 H new ATOM 0 HG2 GLU A 36 -16.817 7.474 -8.614 1.00 33.52 H new ATOM 0 HG3 GLU A 36 -15.690 8.769 -8.265 1.00 33.52 H new ATOM 566 N GLU A 37 -12.835 5.217 -9.256 1.00 31.14 N ATOM 567 CA GLU A 37 -12.579 3.880 -8.731 1.00 55.54 C ATOM 568 C GLU A 37 -11.089 3.671 -8.477 1.00 54.54 C ATOM 569 O GLU A 37 -10.650 2.562 -8.178 1.00 64.35 O ATOM 570 CB GLU A 37 -13.096 2.819 -9.705 1.00 42.22 C ATOM 571 CG GLU A 37 -14.225 1.973 -9.141 1.00 2.10 C ATOM 572 CD GLU A 37 -15.566 2.678 -9.196 1.00 1.53 C ATOM 573 OE1 GLU A 37 -16.594 1.986 -9.352 1.00 44.24 O ATOM 574 OE2 GLU A 37 -15.588 3.922 -9.082 1.00 72.24 O ATOM 0 H GLU A 37 -12.423 5.397 -10.172 1.00 31.14 H new ATOM 0 HA GLU A 37 -13.108 3.782 -7.783 1.00 55.54 H new ATOM 0 HB2 GLU A 37 -13.441 3.310 -10.615 1.00 42.22 H new ATOM 0 HB3 GLU A 37 -12.271 2.166 -9.989 1.00 42.22 H new ATOM 0 HG2 GLU A 37 -14.287 1.038 -9.698 1.00 2.10 H new ATOM 0 HG3 GLU A 37 -13.998 1.713 -8.107 1.00 2.10 H new ATOM 581 N ALA A 38 -10.318 4.747 -8.599 1.00 62.34 N ATOM 582 CA ALA A 38 -8.878 4.682 -8.382 1.00 0.40 C ATOM 583 C ALA A 38 -8.540 4.807 -6.900 1.00 75.51 C ATOM 584 O ALA A 38 -9.313 5.344 -6.106 1.00 23.33 O ATOM 585 CB ALA A 38 -8.175 5.772 -9.178 1.00 62.55 C ATOM 0 H ALA A 38 -10.666 5.673 -8.847 1.00 62.34 H new ATOM 0 HA ALA A 38 -8.527 3.710 -8.728 1.00 0.40 H new ATOM 0 HB1 ALA A 38 -7.100 5.712 -9.007 1.00 62.55 H new ATOM 0 HB2 ALA A 38 -8.381 5.638 -10.240 1.00 62.55 H new ATOM 0 HB3 ALA A 38 -8.539 6.748 -8.858 1.00 62.55 H new ATOM 591 N PRO A 39 -7.360 4.298 -6.517 1.00 10.04 N ATOM 592 CA PRO A 39 -6.894 4.340 -5.127 1.00 42.15 C ATOM 593 C PRO A 39 -6.542 5.754 -4.676 1.00 73.45 C ATOM 594 O PRO A 39 -6.047 6.562 -5.463 1.00 11.22 O ATOM 595 CB PRO A 39 -5.643 3.458 -5.146 1.00 43.24 C ATOM 596 CG PRO A 39 -5.159 3.517 -6.554 1.00 72.13 C ATOM 597 CD PRO A 39 -6.389 3.643 -7.410 1.00 14.43 C ATOM 0 HA PRO A 39 -7.660 4.002 -4.430 1.00 42.15 H new ATOM 0 HB2 PRO A 39 -4.888 3.827 -4.452 1.00 43.24 H new ATOM 0 HB3 PRO A 39 -5.875 2.435 -4.850 1.00 43.24 H new ATOM 0 HG2 PRO A 39 -4.492 4.366 -6.702 1.00 72.13 H new ATOM 0 HG3 PRO A 39 -4.595 2.620 -6.811 1.00 72.13 H new ATOM 0 HD2 PRO A 39 -6.198 4.239 -8.303 1.00 14.43 H new ATOM 0 HD3 PRO A 39 -6.746 2.670 -7.747 1.00 14.43 H new ATOM 605 N LEU A 40 -6.801 6.046 -3.407 1.00 24.24 N ATOM 606 CA LEU A 40 -6.511 7.363 -2.850 1.00 63.13 C ATOM 607 C LEU A 40 -5.037 7.715 -3.024 1.00 42.24 C ATOM 608 O LEU A 40 -4.665 8.889 -3.043 1.00 54.24 O ATOM 609 CB LEU A 40 -6.885 7.406 -1.368 1.00 33.22 C ATOM 610 CG LEU A 40 -6.177 6.394 -0.467 1.00 21.41 C ATOM 611 CD1 LEU A 40 -5.850 7.016 0.882 1.00 54.03 C ATOM 612 CD2 LEU A 40 -7.033 5.148 -0.288 1.00 64.13 C ATOM 0 H LEU A 40 -7.211 5.389 -2.744 1.00 24.24 H new ATOM 0 HA LEU A 40 -7.108 8.098 -3.390 1.00 63.13 H new ATOM 0 HB2 LEU A 40 -6.676 8.407 -0.990 1.00 33.22 H new ATOM 0 HB3 LEU A 40 -7.960 7.250 -1.281 1.00 33.22 H new ATOM 0 HG LEU A 40 -5.242 6.103 -0.946 1.00 21.41 H new ATOM 0 HD11 LEU A 40 -5.346 6.280 1.509 1.00 54.03 H new ATOM 0 HD12 LEU A 40 -5.197 7.877 0.737 1.00 54.03 H new ATOM 0 HD13 LEU A 40 -6.772 7.337 1.368 1.00 54.03 H new ATOM 0 HD21 LEU A 40 -6.513 4.439 0.356 1.00 64.13 H new ATOM 0 HD22 LEU A 40 -7.984 5.422 0.168 1.00 64.13 H new ATOM 0 HD23 LEU A 40 -7.215 4.689 -1.260 1.00 64.13 H new ATOM 624 N THR A 41 -4.200 6.690 -3.154 1.00 2.35 N ATOM 625 CA THR A 41 -2.767 6.891 -3.327 1.00 42.14 C ATOM 626 C THR A 41 -2.482 7.873 -4.458 1.00 54.21 C ATOM 627 O THR A 41 -1.482 8.590 -4.433 1.00 74.15 O ATOM 628 CB THR A 41 -2.045 5.563 -3.623 1.00 32.31 C ATOM 629 OG1 THR A 41 -2.341 4.606 -2.599 1.00 41.21 O ATOM 630 CG2 THR A 41 -0.541 5.772 -3.710 1.00 21.44 C ATOM 0 H THR A 41 -4.490 5.712 -3.143 1.00 2.35 H new ATOM 0 HA THR A 41 -2.390 7.300 -2.390 1.00 42.14 H new ATOM 0 HB THR A 41 -2.399 5.188 -4.583 1.00 32.31 H new ATOM 0 HG1 THR A 41 -2.100 3.709 -2.911 1.00 41.21 H new ATOM 0 HG21 THR A 41 -0.053 4.820 -3.920 1.00 21.44 H new ATOM 0 HG22 THR A 41 -0.317 6.478 -4.510 1.00 21.44 H new ATOM 0 HG23 THR A 41 -0.173 6.167 -2.763 1.00 21.44 H new ATOM 638 N ALA A 42 -3.369 7.901 -5.448 1.00 43.31 N ATOM 639 CA ALA A 42 -3.214 8.798 -6.587 1.00 3.13 C ATOM 640 C ALA A 42 -3.181 10.255 -6.138 1.00 31.03 C ATOM 641 O ALA A 42 -2.361 11.041 -6.609 1.00 44.55 O ATOM 642 CB ALA A 42 -4.337 8.578 -7.589 1.00 33.42 C ATOM 0 H ALA A 42 -4.202 7.313 -5.484 1.00 43.31 H new ATOM 0 HA ALA A 42 -2.263 8.572 -7.069 1.00 3.13 H new ATOM 0 HB1 ALA A 42 -4.208 9.254 -8.434 1.00 33.42 H new ATOM 0 HB2 ALA A 42 -4.313 7.547 -7.942 1.00 33.42 H new ATOM 0 HB3 ALA A 42 -5.296 8.775 -7.110 1.00 33.42 H new ATOM 648 N ALA A 43 -4.079 10.608 -5.224 1.00 33.01 N ATOM 649 CA ALA A 43 -4.152 11.970 -4.711 1.00 0.25 C ATOM 650 C ALA A 43 -3.025 12.245 -3.720 1.00 74.52 C ATOM 651 O ALA A 43 -2.380 13.292 -3.773 1.00 44.11 O ATOM 652 CB ALA A 43 -5.504 12.216 -4.057 1.00 4.42 C ATOM 0 H ALA A 43 -4.766 9.969 -4.824 1.00 33.01 H new ATOM 0 HA ALA A 43 -4.037 12.655 -5.551 1.00 0.25 H new ATOM 0 HB1 ALA A 43 -5.545 13.237 -3.678 1.00 4.42 H new ATOM 0 HB2 ALA A 43 -6.296 12.070 -4.792 1.00 4.42 H new ATOM 0 HB3 ALA A 43 -5.642 11.517 -3.232 1.00 4.42 H new ATOM 658 N LEU A 44 -2.794 11.298 -2.817 1.00 54.01 N ATOM 659 CA LEU A 44 -1.745 11.438 -1.813 1.00 73.02 C ATOM 660 C LEU A 44 -0.426 11.849 -2.458 1.00 43.43 C ATOM 661 O LEU A 44 0.373 12.567 -1.857 1.00 4.32 O ATOM 662 CB LEU A 44 -1.565 10.125 -1.049 1.00 0.20 C ATOM 663 CG LEU A 44 -0.480 10.119 0.028 1.00 1.34 C ATOM 664 CD1 LEU A 44 -0.863 11.039 1.177 1.00 14.12 C ATOM 665 CD2 LEU A 44 -0.238 8.704 0.534 1.00 43.44 C ATOM 0 H LEU A 44 -3.319 10.425 -2.760 1.00 54.01 H new ATOM 0 HA LEU A 44 -2.046 12.219 -1.115 1.00 73.02 H new ATOM 0 HB2 LEU A 44 -2.515 9.867 -0.581 1.00 0.20 H new ATOM 0 HB3 LEU A 44 -1.340 9.337 -1.768 1.00 0.20 H new ATOM 0 HG LEU A 44 0.445 10.489 -0.414 1.00 1.34 H new ATOM 0 HD11 LEU A 44 -0.079 11.022 1.934 1.00 14.12 H new ATOM 0 HD12 LEU A 44 -0.985 12.056 0.804 1.00 14.12 H new ATOM 0 HD13 LEU A 44 -1.800 10.700 1.618 1.00 14.12 H new ATOM 0 HD21 LEU A 44 0.537 8.719 1.300 1.00 43.44 H new ATOM 0 HD22 LEU A 44 -1.160 8.307 0.959 1.00 43.44 H new ATOM 0 HD23 LEU A 44 0.082 8.071 -0.294 1.00 43.44 H new ATOM 677 N ARG A 45 -0.205 11.392 -3.686 1.00 72.53 N ATOM 678 CA ARG A 45 1.017 11.713 -4.414 1.00 32.25 C ATOM 679 C ARG A 45 1.234 13.222 -4.472 1.00 11.12 C ATOM 680 O ARG A 45 2.319 13.716 -4.166 1.00 3.04 O ATOM 681 CB ARG A 45 0.958 11.140 -5.831 1.00 13.21 C ATOM 682 CG ARG A 45 2.304 10.668 -6.353 1.00 65.35 C ATOM 683 CD ARG A 45 2.431 10.894 -7.852 1.00 21.11 C ATOM 684 NE ARG A 45 2.976 9.726 -8.538 1.00 25.43 N ATOM 685 CZ ARG A 45 3.404 9.745 -9.795 1.00 74.44 C ATOM 686 NH1 ARG A 45 3.349 10.866 -10.501 1.00 2.04 N ATOM 687 NH2 ARG A 45 3.887 8.640 -10.350 1.00 0.31 N ATOM 0 H ARG A 45 -0.857 10.798 -4.198 1.00 72.53 H new ATOM 0 HA ARG A 45 1.856 11.263 -3.883 1.00 32.25 H new ATOM 0 HB2 ARG A 45 0.258 10.304 -5.847 1.00 13.21 H new ATOM 0 HB3 ARG A 45 0.563 11.900 -6.505 1.00 13.21 H new ATOM 0 HG2 ARG A 45 3.103 11.199 -5.835 1.00 65.35 H new ATOM 0 HG3 ARG A 45 2.430 9.608 -6.132 1.00 65.35 H new ATOM 0 HD2 ARG A 45 1.452 11.134 -8.267 1.00 21.11 H new ATOM 0 HD3 ARG A 45 3.074 11.755 -8.035 1.00 21.11 H new ATOM 0 HE ARG A 45 3.031 8.847 -8.023 1.00 25.43 H new ATOM 0 HH11 ARG A 45 2.977 11.717 -10.079 1.00 2.04 H new ATOM 0 HH12 ARG A 45 3.679 10.877 -11.466 1.00 2.04 H new ATOM 0 HH21 ARG A 45 3.930 7.775 -9.811 1.00 0.31 H new ATOM 0 HH22 ARG A 45 4.215 8.656 -11.316 1.00 0.31 H new ATOM 701 N PHE A 46 0.194 13.949 -4.868 1.00 4.35 N ATOM 702 CA PHE A 46 0.272 15.402 -4.968 1.00 15.13 C ATOM 703 C PHE A 46 -0.059 16.058 -3.630 1.00 23.30 C ATOM 704 O PHE A 46 0.419 17.151 -3.328 1.00 30.23 O ATOM 705 CB PHE A 46 -0.685 15.912 -6.048 1.00 62.50 C ATOM 706 CG PHE A 46 -0.041 16.059 -7.397 1.00 52.11 C ATOM 707 CD1 PHE A 46 -0.574 15.424 -8.507 1.00 33.31 C ATOM 708 CD2 PHE A 46 1.097 16.833 -7.555 1.00 63.12 C ATOM 709 CE1 PHE A 46 0.015 15.558 -9.750 1.00 23.31 C ATOM 710 CE2 PHE A 46 1.691 16.971 -8.796 1.00 31.13 C ATOM 711 CZ PHE A 46 1.150 16.332 -9.894 1.00 60.41 C ATOM 0 H PHE A 46 -0.712 13.556 -5.125 1.00 4.35 H new ATOM 0 HA PHE A 46 1.293 15.668 -5.241 1.00 15.13 H new ATOM 0 HB2 PHE A 46 -1.528 15.226 -6.129 1.00 62.50 H new ATOM 0 HB3 PHE A 46 -1.088 16.877 -5.739 1.00 62.50 H new ATOM 0 HD1 PHE A 46 -1.461 14.817 -8.400 1.00 33.31 H new ATOM 0 HD2 PHE A 46 1.525 17.334 -6.699 1.00 63.12 H new ATOM 0 HE1 PHE A 46 -0.411 15.058 -10.607 1.00 23.31 H new ATOM 0 HE2 PHE A 46 2.577 17.578 -8.906 1.00 31.13 H new ATOM 0 HZ PHE A 46 1.614 16.437 -10.864 1.00 60.41 H new ATOM 721 N ALA A 47 -0.880 15.382 -2.833 1.00 63.41 N ATOM 722 CA ALA A 47 -1.273 15.897 -1.528 1.00 33.44 C ATOM 723 C ALA A 47 -0.063 16.058 -0.613 1.00 74.35 C ATOM 724 O ALA A 47 0.076 17.068 0.075 1.00 32.13 O ATOM 725 CB ALA A 47 -2.303 14.978 -0.886 1.00 50.14 C ATOM 0 H ALA A 47 -1.286 14.476 -3.069 1.00 63.41 H new ATOM 0 HA ALA A 47 -1.719 16.881 -1.673 1.00 33.44 H new ATOM 0 HB1 ALA A 47 -2.588 15.375 0.088 1.00 50.14 H new ATOM 0 HB2 ALA A 47 -3.184 14.917 -1.524 1.00 50.14 H new ATOM 0 HB3 ALA A 47 -1.876 13.983 -0.762 1.00 50.14 H new ATOM 731 N ALA A 48 0.809 15.055 -0.612 1.00 11.01 N ATOM 732 CA ALA A 48 2.008 15.087 0.217 1.00 74.43 C ATOM 733 C ALA A 48 2.909 16.256 -0.166 1.00 33.13 C ATOM 734 O ALA A 48 3.674 16.756 0.658 1.00 62.22 O ATOM 735 CB ALA A 48 2.766 13.773 0.098 1.00 32.23 C ATOM 0 H ALA A 48 0.708 14.211 -1.176 1.00 11.01 H new ATOM 0 HA ALA A 48 1.700 15.224 1.254 1.00 74.43 H new ATOM 0 HB1 ALA A 48 3.659 13.810 0.722 1.00 32.23 H new ATOM 0 HB2 ALA A 48 2.127 12.953 0.427 1.00 32.23 H new ATOM 0 HB3 ALA A 48 3.055 13.613 -0.941 1.00 32.23 H new ATOM 741 N GLU A 49 2.812 16.686 -1.420 1.00 1.12 N ATOM 742 CA GLU A 49 3.621 17.796 -1.910 1.00 54.04 C ATOM 743 C GLU A 49 3.136 19.121 -1.329 1.00 33.00 C ATOM 744 O GLU A 49 3.933 20.013 -1.042 1.00 22.23 O ATOM 745 CB GLU A 49 3.578 17.851 -3.439 1.00 35.01 C ATOM 746 CG GLU A 49 3.779 16.499 -4.102 1.00 50.05 C ATOM 747 CD GLU A 49 4.876 15.684 -3.445 1.00 43.45 C ATOM 748 OE1 GLU A 49 4.547 14.721 -2.722 1.00 71.02 O ATOM 749 OE2 GLU A 49 6.064 16.010 -3.654 1.00 54.01 O ATOM 0 H GLU A 49 2.182 16.283 -2.114 1.00 1.12 H new ATOM 0 HA GLU A 49 4.649 17.633 -1.588 1.00 54.04 H new ATOM 0 HB2 GLU A 49 2.618 18.261 -3.753 1.00 35.01 H new ATOM 0 HB3 GLU A 49 4.348 18.537 -3.791 1.00 35.01 H new ATOM 0 HG2 GLU A 49 2.845 15.939 -4.067 1.00 50.05 H new ATOM 0 HG3 GLU A 49 4.022 16.647 -5.154 1.00 50.05 H new ATOM 756 N GLU A 50 1.823 19.241 -1.160 1.00 34.14 N ATOM 757 CA GLU A 50 1.231 20.457 -0.614 1.00 44.21 C ATOM 758 C GLU A 50 1.786 20.756 0.776 1.00 62.22 C ATOM 759 O GLU A 50 1.796 21.904 1.219 1.00 51.41 O ATOM 760 CB GLU A 50 -0.292 20.326 -0.550 1.00 23.01 C ATOM 761 CG GLU A 50 -1.025 21.288 -1.469 1.00 42.51 C ATOM 762 CD GLU A 50 -1.544 22.512 -0.739 1.00 31.44 C ATOM 763 OE1 GLU A 50 -0.739 23.428 -0.470 1.00 61.14 O ATOM 764 OE2 GLU A 50 -2.755 22.553 -0.435 1.00 25.30 O ATOM 0 H GLU A 50 1.149 18.512 -1.393 1.00 34.14 H new ATOM 0 HA GLU A 50 1.489 21.284 -1.275 1.00 44.21 H new ATOM 0 HB2 GLU A 50 -0.572 19.305 -0.809 1.00 23.01 H new ATOM 0 HB3 GLU A 50 -0.620 20.496 0.476 1.00 23.01 H new ATOM 0 HG2 GLU A 50 -0.354 21.604 -2.268 1.00 42.51 H new ATOM 0 HG3 GLU A 50 -1.860 20.769 -1.940 1.00 42.51 H new ATOM 771 N PHE A 51 2.247 19.713 1.459 1.00 51.20 N ATOM 772 CA PHE A 51 2.802 19.862 2.799 1.00 0.32 C ATOM 773 C PHE A 51 4.314 19.658 2.787 1.00 1.14 C ATOM 774 O PHE A 51 5.020 20.111 3.688 1.00 72.42 O ATOM 775 CB PHE A 51 2.149 18.865 3.759 1.00 52.34 C ATOM 776 CG PHE A 51 1.504 19.514 4.950 1.00 53.23 C ATOM 777 CD1 PHE A 51 0.220 19.163 5.336 1.00 24.02 C ATOM 778 CD2 PHE A 51 2.180 20.476 5.682 1.00 25.15 C ATOM 779 CE1 PHE A 51 -0.376 19.758 6.432 1.00 31.11 C ATOM 780 CE2 PHE A 51 1.589 21.074 6.779 1.00 23.13 C ATOM 781 CZ PHE A 51 0.309 20.715 7.154 1.00 41.41 C ATOM 0 H PHE A 51 2.247 18.756 1.106 1.00 51.20 H new ATOM 0 HA PHE A 51 2.592 20.875 3.141 1.00 0.32 H new ATOM 0 HB2 PHE A 51 1.398 18.290 3.217 1.00 52.34 H new ATOM 0 HB3 PHE A 51 2.903 18.158 4.105 1.00 52.34 H new ATOM 0 HD1 PHE A 51 -0.321 18.416 4.774 1.00 24.02 H new ATOM 0 HD2 PHE A 51 3.180 20.762 5.392 1.00 25.15 H new ATOM 0 HE1 PHE A 51 -1.377 19.475 6.723 1.00 31.11 H new ATOM 0 HE2 PHE A 51 2.128 21.821 7.343 1.00 23.13 H new ATOM 0 HZ PHE A 51 -0.155 21.182 8.010 1.00 41.41 H new ATOM 791 N GLY A 52 4.805 18.972 1.760 1.00 73.34 N ATOM 792 CA GLY A 52 6.229 18.718 1.649 1.00 4.22 C ATOM 793 C GLY A 52 6.747 17.824 2.759 1.00 51.53 C ATOM 794 O GLY A 52 7.899 17.945 3.175 1.00 5.11 O ATOM 0 H GLY A 52 4.241 18.587 1.002 1.00 73.34 H new ATOM 0 HA2 GLY A 52 6.438 18.254 0.685 1.00 4.22 H new ATOM 0 HA3 GLY A 52 6.767 19.666 1.669 1.00 4.22 H new ATOM 798 N ILE A 53 5.894 16.927 3.240 1.00 74.22 N ATOM 799 CA ILE A 53 6.271 16.010 4.308 1.00 5.12 C ATOM 800 C ILE A 53 6.241 14.563 3.828 1.00 50.25 C ATOM 801 O ILE A 53 5.998 14.294 2.652 1.00 54.23 O ATOM 802 CB ILE A 53 5.342 16.154 5.528 1.00 24.31 C ATOM 803 CG1 ILE A 53 3.894 15.862 5.131 1.00 70.14 C ATOM 804 CG2 ILE A 53 5.463 17.548 6.124 1.00 1.15 C ATOM 805 CD1 ILE A 53 2.881 16.325 6.154 1.00 4.14 C ATOM 0 H ILE A 53 4.936 16.815 2.907 1.00 74.22 H new ATOM 0 HA ILE A 53 7.287 16.271 4.603 1.00 5.12 H new ATOM 0 HB ILE A 53 5.644 15.430 6.284 1.00 24.31 H new ATOM 0 HG12 ILE A 53 3.683 16.346 4.178 1.00 70.14 H new ATOM 0 HG13 ILE A 53 3.778 14.789 4.976 1.00 70.14 H new ATOM 0 HG21 ILE A 53 4.800 17.634 6.985 1.00 1.15 H new ATOM 0 HG22 ILE A 53 6.492 17.721 6.439 1.00 1.15 H new ATOM 0 HG23 ILE A 53 5.183 18.289 5.375 1.00 1.15 H new ATOM 0 HD11 ILE A 53 1.876 16.085 5.806 1.00 4.14 H new ATOM 0 HD12 ILE A 53 3.066 15.822 7.103 1.00 4.14 H new ATOM 0 HD13 ILE A 53 2.969 17.403 6.292 1.00 4.14 H new ATOM 817 N ALA A 54 6.488 13.635 4.746 1.00 0.01 N ATOM 818 CA ALA A 54 6.485 12.215 4.417 1.00 0.02 C ATOM 819 C ALA A 54 5.106 11.763 3.947 1.00 5.31 C ATOM 820 O ALA A 54 4.832 11.722 2.748 1.00 71.21 O ATOM 821 CB ALA A 54 6.930 11.394 5.618 1.00 4.23 C ATOM 0 H ALA A 54 6.693 13.841 5.724 1.00 0.01 H new ATOM 0 HA ALA A 54 7.189 12.055 3.600 1.00 0.02 H new ATOM 0 HB1 ALA A 54 6.923 10.336 5.358 1.00 4.23 H new ATOM 0 HB2 ALA A 54 7.938 11.690 5.908 1.00 4.23 H new ATOM 0 HB3 ALA A 54 6.248 11.568 6.450 1.00 4.23 H new ATOM 827 N SER A 55 4.243 11.425 4.899 1.00 21.14 N ATOM 828 CA SER A 55 2.894 10.972 4.582 1.00 30.41 C ATOM 829 C SER A 55 1.966 11.145 5.781 1.00 44.41 C ATOM 830 O SER A 55 0.892 10.548 5.841 1.00 73.12 O ATOM 831 CB SER A 55 2.915 9.505 4.148 1.00 60.24 C ATOM 832 OG SER A 55 4.040 8.830 4.684 1.00 40.22 O ATOM 0 H SER A 55 4.454 11.456 5.896 1.00 21.14 H new ATOM 0 HA SER A 55 2.517 11.582 3.761 1.00 30.41 H new ATOM 0 HB2 SER A 55 2.000 9.012 4.477 1.00 60.24 H new ATOM 0 HB3 SER A 55 2.935 9.445 3.060 1.00 60.24 H new ATOM 0 HG SER A 55 4.029 7.894 4.393 1.00 40.22 H new ATOM 838 N VAL A 56 2.390 11.968 6.735 1.00 44.53 N ATOM 839 CA VAL A 56 1.599 12.223 7.932 1.00 13.13 C ATOM 840 C VAL A 56 0.382 13.084 7.614 1.00 52.32 C ATOM 841 O VAL A 56 -0.563 13.158 8.400 1.00 24.32 O ATOM 842 CB VAL A 56 2.436 12.920 9.021 1.00 23.21 C ATOM 843 CG1 VAL A 56 3.545 12.001 9.512 1.00 53.10 C ATOM 844 CG2 VAL A 56 3.010 14.228 8.496 1.00 34.53 C ATOM 0 H VAL A 56 3.278 12.470 6.702 1.00 44.53 H new ATOM 0 HA VAL A 56 1.268 11.253 8.304 1.00 13.13 H new ATOM 0 HB VAL A 56 1.785 13.148 9.865 1.00 23.21 H new ATOM 0 HG11 VAL A 56 4.126 12.510 10.281 1.00 53.10 H new ATOM 0 HG12 VAL A 56 3.108 11.094 9.929 1.00 53.10 H new ATOM 0 HG13 VAL A 56 4.197 11.740 8.678 1.00 53.10 H new ATOM 0 HG21 VAL A 56 3.598 14.707 9.278 1.00 34.53 H new ATOM 0 HG22 VAL A 56 3.647 14.026 7.635 1.00 34.53 H new ATOM 0 HG23 VAL A 56 2.196 14.889 8.198 1.00 34.53 H new ATOM 854 N ASP A 57 0.411 13.734 6.456 1.00 52.24 N ATOM 855 CA ASP A 57 -0.691 14.590 6.031 1.00 11.03 C ATOM 856 C ASP A 57 -1.872 13.755 5.547 1.00 73.02 C ATOM 857 O ASP A 57 -2.929 14.291 5.212 1.00 45.20 O ATOM 858 CB ASP A 57 -0.231 15.537 4.922 1.00 13.41 C ATOM 859 CG ASP A 57 0.524 14.818 3.822 1.00 24.34 C ATOM 860 OD1 ASP A 57 1.654 14.354 4.084 1.00 63.11 O ATOM 861 OD2 ASP A 57 -0.014 14.717 2.700 1.00 13.45 O ATOM 0 H ASP A 57 1.186 13.685 5.794 1.00 52.24 H new ATOM 0 HA ASP A 57 -1.013 15.179 6.890 1.00 11.03 H new ATOM 0 HB2 ASP A 57 -1.099 16.039 4.494 1.00 13.41 H new ATOM 0 HB3 ASP A 57 0.406 16.311 5.350 1.00 13.41 H new ATOM 866 N SER A 58 -1.686 12.439 5.511 1.00 5.54 N ATOM 867 CA SER A 58 -2.734 11.530 5.063 1.00 2.31 C ATOM 868 C SER A 58 -3.995 11.698 5.905 1.00 51.31 C ATOM 869 O SER A 58 -5.094 11.356 5.470 1.00 14.04 O ATOM 870 CB SER A 58 -2.247 10.082 5.136 1.00 35.31 C ATOM 871 OG SER A 58 -2.467 9.534 6.425 1.00 43.42 O ATOM 0 H SER A 58 -0.819 11.979 5.787 1.00 5.54 H new ATOM 0 HA SER A 58 -2.974 11.773 4.028 1.00 2.31 H new ATOM 0 HB2 SER A 58 -2.767 9.482 4.389 1.00 35.31 H new ATOM 0 HB3 SER A 58 -1.185 10.040 4.896 1.00 35.31 H new ATOM 0 HG SER A 58 -2.149 8.607 6.445 1.00 43.42 H new ATOM 877 N MET A 59 -3.827 12.228 7.112 1.00 21.22 N ATOM 878 CA MET A 59 -4.952 12.443 8.015 1.00 25.34 C ATOM 879 C MET A 59 -4.791 13.752 8.781 1.00 54.41 C ATOM 880 O MET A 59 -4.608 13.752 9.998 1.00 51.32 O ATOM 881 CB MET A 59 -5.075 11.276 8.998 1.00 44.25 C ATOM 882 CG MET A 59 -3.765 10.916 9.681 1.00 53.32 C ATOM 883 SD MET A 59 -3.938 10.745 11.467 1.00 35.43 S ATOM 884 CE MET A 59 -2.789 9.410 11.792 1.00 30.12 C ATOM 0 H MET A 59 -2.923 12.516 7.487 1.00 21.22 H new ATOM 0 HA MET A 59 -5.861 12.502 7.416 1.00 25.34 H new ATOM 0 HB2 MET A 59 -5.814 11.528 9.758 1.00 44.25 H new ATOM 0 HB3 MET A 59 -5.450 10.402 8.466 1.00 44.25 H new ATOM 0 HG2 MET A 59 -3.388 9.982 9.265 1.00 53.32 H new ATOM 0 HG3 MET A 59 -3.023 11.684 9.464 1.00 53.32 H new ATOM 0 HE1 MET A 59 -2.783 9.187 12.859 1.00 30.12 H new ATOM 0 HE2 MET A 59 -3.096 8.523 11.238 1.00 30.12 H new ATOM 0 HE3 MET A 59 -1.788 9.707 11.478 1.00 30.12 H new ATOM 894 N ALA A 60 -4.862 14.867 8.060 1.00 63.52 N ATOM 895 CA ALA A 60 -4.726 16.182 8.672 1.00 52.41 C ATOM 896 C ALA A 60 -5.514 17.232 7.896 1.00 12.51 C ATOM 897 O ALA A 60 -4.935 18.082 7.220 1.00 54.30 O ATOM 898 CB ALA A 60 -3.259 16.577 8.756 1.00 31.35 C ATOM 0 H ALA A 60 -5.013 14.885 7.051 1.00 63.52 H new ATOM 0 HA ALA A 60 -5.135 16.129 9.681 1.00 52.41 H new ATOM 0 HB1 ALA A 60 -3.173 17.562 9.215 1.00 31.35 H new ATOM 0 HB2 ALA A 60 -2.720 15.847 9.359 1.00 31.35 H new ATOM 0 HB3 ALA A 60 -2.832 16.606 7.754 1.00 31.35 H new ATOM 904 N ALA A 61 -6.838 17.167 7.998 1.00 3.21 N ATOM 905 CA ALA A 61 -7.705 18.113 7.307 1.00 43.31 C ATOM 906 C ALA A 61 -9.121 18.072 7.869 1.00 34.33 C ATOM 907 O ALA A 61 -9.556 17.055 8.412 1.00 10.33 O ATOM 908 CB ALA A 61 -7.719 17.822 5.814 1.00 42.55 C ATOM 0 H ALA A 61 -7.333 16.469 8.553 1.00 3.21 H new ATOM 0 HA ALA A 61 -7.308 19.115 7.467 1.00 43.31 H new ATOM 0 HB1 ALA A 61 -8.371 18.536 5.310 1.00 42.55 H new ATOM 0 HB2 ALA A 61 -6.708 17.910 5.417 1.00 42.55 H new ATOM 0 HB3 ALA A 61 -8.089 16.811 5.644 1.00 42.55 H new ATOM 914 N THR A 62 -9.839 19.183 7.737 1.00 42.21 N ATOM 915 CA THR A 62 -11.206 19.274 8.234 1.00 40.24 C ATOM 916 C THR A 62 -12.139 19.846 7.173 1.00 74.03 C ATOM 917 O THR A 62 -11.704 20.550 6.261 1.00 43.00 O ATOM 918 CB THR A 62 -11.287 20.150 9.498 1.00 31.23 C ATOM 919 OG1 THR A 62 -11.116 21.529 9.151 1.00 32.54 O ATOM 920 CG2 THR A 62 -10.226 19.741 10.509 1.00 72.52 C ATOM 0 H THR A 62 -9.496 20.033 7.290 1.00 42.21 H new ATOM 0 HA THR A 62 -11.520 18.260 8.483 1.00 40.24 H new ATOM 0 HB THR A 62 -12.269 20.009 9.948 1.00 31.23 H new ATOM 0 HG1 THR A 62 -11.171 22.079 9.960 1.00 32.54 H new ATOM 0 HG21 THR A 62 -10.303 20.374 11.393 1.00 72.52 H new ATOM 0 HG22 THR A 62 -10.377 18.700 10.794 1.00 72.52 H new ATOM 0 HG23 THR A 62 -9.237 19.856 10.065 1.00 72.52 H new ATOM 928 N THR A 63 -13.427 19.540 7.297 1.00 72.11 N ATOM 929 CA THR A 63 -14.423 20.023 6.348 1.00 4.13 C ATOM 930 C THR A 63 -14.984 21.373 6.780 1.00 20.13 C ATOM 931 O THR A 63 -14.840 21.776 7.935 1.00 53.44 O ATOM 932 CB THR A 63 -15.584 19.023 6.194 1.00 64.41 C ATOM 933 OG1 THR A 63 -15.099 17.683 6.341 1.00 10.22 O ATOM 934 CG2 THR A 63 -16.255 19.178 4.838 1.00 52.12 C ATOM 0 H THR A 63 -13.805 18.960 8.046 1.00 72.11 H new ATOM 0 HA THR A 63 -13.918 20.132 5.388 1.00 4.13 H new ATOM 0 HB THR A 63 -16.319 19.231 6.972 1.00 64.41 H new ATOM 0 HG1 THR A 63 -14.506 17.466 5.592 1.00 10.22 H new ATOM 0 HG21 THR A 63 -17.072 18.461 4.752 1.00 52.12 H new ATOM 0 HG22 THR A 63 -16.648 20.190 4.740 1.00 52.12 H new ATOM 0 HG23 THR A 63 -15.526 18.994 4.048 1.00 52.12 H new ATOM 942 N LYS A 64 -15.625 22.068 5.847 1.00 71.23 N ATOM 943 CA LYS A 64 -16.211 23.373 6.131 1.00 61.54 C ATOM 944 C LYS A 64 -17.328 23.255 7.163 1.00 63.42 C ATOM 945 O LYS A 64 -17.562 24.176 7.945 1.00 33.43 O ATOM 946 CB LYS A 64 -16.754 24.001 4.845 1.00 11.14 C ATOM 947 CG LYS A 64 -15.766 23.977 3.692 1.00 74.12 C ATOM 948 CD LYS A 64 -14.460 24.660 4.062 1.00 73.25 C ATOM 949 CE LYS A 64 -13.620 24.959 2.830 1.00 42.32 C ATOM 950 NZ LYS A 64 -12.749 23.810 2.460 1.00 65.31 N ATOM 0 H LYS A 64 -15.752 21.749 4.886 1.00 71.23 H new ATOM 0 HA LYS A 64 -15.430 24.014 6.540 1.00 61.54 H new ATOM 0 HB2 LYS A 64 -17.660 23.473 4.547 1.00 11.14 H new ATOM 0 HB3 LYS A 64 -17.039 25.034 5.047 1.00 11.14 H new ATOM 0 HG2 LYS A 64 -15.568 22.945 3.402 1.00 74.12 H new ATOM 0 HG3 LYS A 64 -16.204 24.473 2.826 1.00 74.12 H new ATOM 0 HD2 LYS A 64 -14.671 25.588 4.594 1.00 73.25 H new ATOM 0 HD3 LYS A 64 -13.895 24.023 4.743 1.00 73.25 H new ATOM 0 HE2 LYS A 64 -14.276 25.202 1.994 1.00 42.32 H new ATOM 0 HE3 LYS A 64 -13.002 25.838 3.016 1.00 42.32 H new ATOM 0 HZ1 LYS A 64 -12.733 23.705 1.425 1.00 65.31 H new ATOM 0 HZ2 LYS A 64 -11.783 23.981 2.805 1.00 65.31 H new ATOM 0 HZ3 LYS A 64 -13.121 22.939 2.890 1.00 65.31 H new ATOM 964 N ASP A 65 -18.012 22.116 7.160 1.00 61.02 N ATOM 965 CA ASP A 65 -19.103 21.877 8.098 1.00 65.21 C ATOM 966 C ASP A 65 -18.563 21.550 9.487 1.00 42.41 C ATOM 967 O ASP A 65 -19.257 21.718 10.489 1.00 44.12 O ATOM 968 CB ASP A 65 -19.990 20.735 7.601 1.00 71.33 C ATOM 969 CG ASP A 65 -21.466 21.017 7.805 1.00 25.15 C ATOM 970 OD1 ASP A 65 -22.067 21.689 6.942 1.00 41.25 O ATOM 971 OD2 ASP A 65 -22.019 20.565 8.829 1.00 31.32 O ATOM 0 H ASP A 65 -17.830 21.344 6.519 1.00 61.02 H new ATOM 0 HA ASP A 65 -19.699 22.787 8.164 1.00 65.21 H new ATOM 0 HB2 ASP A 65 -19.799 20.565 6.541 1.00 71.33 H new ATOM 0 HB3 ASP A 65 -19.723 19.817 8.124 1.00 71.33 H new ATOM 976 N GLY A 66 -17.319 21.082 9.538 1.00 34.13 N ATOM 977 CA GLY A 66 -16.708 20.738 10.809 1.00 51.12 C ATOM 978 C GLY A 66 -15.515 19.817 10.648 1.00 41.33 C ATOM 979 O GLY A 66 -14.558 20.145 9.945 1.00 23.14 O ATOM 0 H GLY A 66 -16.724 20.935 8.723 1.00 34.13 H new ATOM 0 HA2 GLY A 66 -16.393 21.650 11.316 1.00 51.12 H new ATOM 0 HA3 GLY A 66 -17.450 20.258 11.447 1.00 51.12 H new ATOM 983 N THR A 67 -15.569 18.661 11.301 1.00 31.14 N ATOM 984 CA THR A 67 -14.484 17.691 11.230 1.00 4.00 C ATOM 985 C THR A 67 -14.490 16.956 9.894 1.00 2.34 C ATOM 986 O THR A 67 -15.545 16.577 9.389 1.00 60.45 O ATOM 987 CB THR A 67 -14.576 16.660 12.371 1.00 64.13 C ATOM 988 OG1 THR A 67 -15.947 16.432 12.716 1.00 45.40 O ATOM 989 CG2 THR A 67 -13.812 17.139 13.596 1.00 65.32 C ATOM 0 H THR A 67 -16.354 18.373 11.886 1.00 31.14 H new ATOM 0 HA THR A 67 -13.554 18.250 11.330 1.00 4.00 H new ATOM 0 HB THR A 67 -14.129 15.728 12.026 1.00 64.13 H new ATOM 0 HG1 THR A 67 -15.997 15.774 13.441 1.00 45.40 H new ATOM 0 HG21 THR A 67 -13.891 16.395 14.388 1.00 65.32 H new ATOM 0 HG22 THR A 67 -12.763 17.283 13.337 1.00 65.32 H new ATOM 0 HG23 THR A 67 -14.233 18.083 13.942 1.00 65.32 H new ATOM 997 N GLY A 68 -13.303 16.758 9.328 1.00 54.05 N ATOM 998 CA GLY A 68 -13.195 16.068 8.055 1.00 11.43 C ATOM 999 C GLY A 68 -12.231 14.900 8.109 1.00 4.23 C ATOM 1000 O GLY A 68 -11.057 15.039 7.764 1.00 40.53 O ATOM 0 H GLY A 68 -12.415 17.063 9.728 1.00 54.05 H new ATOM 0 HA2 GLY A 68 -14.180 15.709 7.755 1.00 11.43 H new ATOM 0 HA3 GLY A 68 -12.866 16.772 7.290 1.00 11.43 H new ATOM 1004 N ILE A 69 -12.725 13.747 8.545 1.00 30.52 N ATOM 1005 CA ILE A 69 -11.898 12.550 8.644 1.00 51.23 C ATOM 1006 C ILE A 69 -11.781 11.850 7.294 1.00 43.51 C ATOM 1007 O ILE A 69 -12.766 11.701 6.573 1.00 35.44 O ATOM 1008 CB ILE A 69 -12.465 11.558 9.676 1.00 24.23 C ATOM 1009 CG1 ILE A 69 -11.457 10.439 9.947 1.00 62.34 C ATOM 1010 CG2 ILE A 69 -13.786 10.982 9.188 1.00 5.02 C ATOM 1011 CD1 ILE A 69 -10.155 10.928 10.542 1.00 52.44 C ATOM 0 H ILE A 69 -13.694 13.616 8.836 1.00 30.52 H new ATOM 0 HA ILE A 69 -10.910 12.875 8.969 1.00 51.23 H new ATOM 0 HB ILE A 69 -12.647 12.092 10.609 1.00 24.23 H new ATOM 0 HG12 ILE A 69 -11.906 9.713 10.624 1.00 62.34 H new ATOM 0 HG13 ILE A 69 -11.247 9.917 9.014 1.00 62.34 H new ATOM 0 HG21 ILE A 69 -14.174 10.283 9.929 1.00 5.02 H new ATOM 0 HG22 ILE A 69 -14.503 11.790 9.041 1.00 5.02 H new ATOM 0 HG23 ILE A 69 -13.629 10.460 8.244 1.00 5.02 H new ATOM 0 HD11 ILE A 69 -9.490 10.081 10.707 1.00 52.44 H new ATOM 0 HD12 ILE A 69 -9.683 11.632 9.856 1.00 52.44 H new ATOM 0 HD13 ILE A 69 -10.353 11.425 11.492 1.00 52.44 H new ATOM 1023 N ASN A 70 -10.568 11.422 6.959 1.00 1.31 N ATOM 1024 CA ASN A 70 -10.321 10.736 5.696 1.00 52.42 C ATOM 1025 C ASN A 70 -10.020 9.259 5.929 1.00 73.03 C ATOM 1026 O ASN A 70 -8.866 8.830 5.946 1.00 13.23 O ATOM 1027 CB ASN A 70 -9.157 11.395 4.953 1.00 22.30 C ATOM 1028 CG ASN A 70 -9.073 12.886 5.215 1.00 52.11 C ATOM 1029 OD1 ASN A 70 -9.590 13.693 4.442 1.00 3.20 O ATOM 1030 ND2 ASN A 70 -8.420 13.259 6.309 1.00 20.34 N ATOM 0 H ASN A 70 -9.741 11.538 7.545 1.00 1.31 H new ATOM 0 HA ASN A 70 -11.222 10.813 5.087 1.00 52.42 H new ATOM 0 HB2 ASN A 70 -8.222 10.923 5.256 1.00 22.30 H new ATOM 0 HB3 ASN A 70 -9.269 11.223 3.883 1.00 22.30 H new ATOM 0 HD21 ASN A 70 -8.331 14.249 6.537 1.00 20.34 H new ATOM 0 HD22 ASN A 70 -8.007 12.555 6.921 1.00 20.34 H new ATOM 1037 N PRO A 71 -11.082 8.460 6.111 1.00 14.43 N ATOM 1038 CA PRO A 71 -10.958 7.019 6.345 1.00 21.42 C ATOM 1039 C PRO A 71 -10.484 6.269 5.105 1.00 72.13 C ATOM 1040 O PRO A 71 -9.555 5.464 5.171 1.00 15.31 O ATOM 1041 CB PRO A 71 -12.382 6.595 6.715 1.00 44.01 C ATOM 1042 CG PRO A 71 -13.259 7.613 6.072 1.00 3.44 C ATOM 1043 CD PRO A 71 -12.487 8.903 6.103 1.00 43.40 C ATOM 0 HA PRO A 71 -10.219 6.793 7.113 1.00 21.42 H new ATOM 0 HB2 PRO A 71 -12.604 5.593 6.349 1.00 44.01 H new ATOM 0 HB3 PRO A 71 -12.522 6.578 7.796 1.00 44.01 H new ATOM 0 HG2 PRO A 71 -13.502 7.328 5.048 1.00 3.44 H new ATOM 0 HG3 PRO A 71 -14.203 7.710 6.609 1.00 3.44 H new ATOM 0 HD2 PRO A 71 -12.708 9.524 5.235 1.00 43.40 H new ATOM 0 HD3 PRO A 71 -12.727 9.494 6.987 1.00 43.40 H new ATOM 1051 N ALA A 72 -11.128 6.539 3.974 1.00 73.30 N ATOM 1052 CA ALA A 72 -10.771 5.891 2.718 1.00 42.31 C ATOM 1053 C ALA A 72 -10.115 6.879 1.758 1.00 32.35 C ATOM 1054 O ALA A 72 -9.310 6.493 0.912 1.00 64.20 O ATOM 1055 CB ALA A 72 -12.001 5.267 2.077 1.00 54.32 C ATOM 0 H ALA A 72 -11.900 7.202 3.902 1.00 73.30 H new ATOM 0 HA ALA A 72 -10.050 5.103 2.936 1.00 42.31 H new ATOM 0 HB1 ALA A 72 -11.719 4.787 1.140 1.00 54.32 H new ATOM 0 HB2 ALA A 72 -12.426 4.524 2.752 1.00 54.32 H new ATOM 0 HB3 ALA A 72 -12.741 6.042 1.879 1.00 54.32 H new ATOM 1061 N GLN A 73 -10.467 8.153 1.897 1.00 44.04 N ATOM 1062 CA GLN A 73 -9.913 9.195 1.040 1.00 25.12 C ATOM 1063 C GLN A 73 -10.159 8.878 -0.431 1.00 52.42 C ATOM 1064 O GLN A 73 -9.440 9.355 -1.310 1.00 3.34 O ATOM 1065 CB GLN A 73 -8.412 9.351 1.296 1.00 35.30 C ATOM 1066 CG GLN A 73 -8.018 9.143 2.749 1.00 34.44 C ATOM 1067 CD GLN A 73 -6.868 10.034 3.176 1.00 74.34 C ATOM 1068 OE1 GLN A 73 -6.949 11.259 3.081 1.00 60.32 O ATOM 1069 NE2 GLN A 73 -5.789 9.422 3.649 1.00 61.13 N ATOM 0 H GLN A 73 -11.132 8.488 2.594 1.00 44.04 H new ATOM 0 HA GLN A 73 -10.415 10.132 1.280 1.00 25.12 H new ATOM 0 HB2 GLN A 73 -7.870 8.637 0.676 1.00 35.30 H new ATOM 0 HB3 GLN A 73 -8.100 10.347 0.983 1.00 35.30 H new ATOM 0 HG2 GLN A 73 -8.880 9.339 3.387 1.00 34.44 H new ATOM 0 HG3 GLN A 73 -7.740 8.100 2.900 1.00 34.44 H new ATOM 0 HE21 GLN A 73 -5.766 8.404 3.710 1.00 61.13 H new ATOM 0 HE22 GLN A 73 -4.983 9.970 3.951 1.00 61.13 H new ATOM 1078 N THR A 74 -11.181 8.070 -0.694 1.00 73.14 N ATOM 1079 CA THR A 74 -11.522 7.688 -2.059 1.00 12.20 C ATOM 1080 C THR A 74 -12.291 8.799 -2.765 1.00 12.11 C ATOM 1081 O THR A 74 -12.835 9.696 -2.121 1.00 72.04 O ATOM 1082 CB THR A 74 -12.364 6.398 -2.088 1.00 3.41 C ATOM 1083 OG1 THR A 74 -12.002 5.552 -0.991 1.00 3.53 O ATOM 1084 CG2 THR A 74 -12.164 5.651 -3.398 1.00 53.40 C ATOM 0 H THR A 74 -11.787 7.667 0.021 1.00 73.14 H new ATOM 0 HA THR A 74 -10.582 7.511 -2.582 1.00 12.20 H new ATOM 0 HB THR A 74 -13.415 6.674 -2.002 1.00 3.41 H new ATOM 0 HG1 THR A 74 -12.543 4.735 -1.016 1.00 3.53 H new ATOM 0 HG21 THR A 74 -12.768 4.744 -3.395 1.00 53.40 H new ATOM 0 HG22 THR A 74 -12.468 6.287 -4.230 1.00 53.40 H new ATOM 0 HG23 THR A 74 -11.112 5.386 -3.509 1.00 53.40 H new ATOM 1092 N ALA A 75 -12.333 8.733 -4.092 1.00 22.14 N ATOM 1093 CA ALA A 75 -13.038 9.732 -4.885 1.00 0.25 C ATOM 1094 C ALA A 75 -14.527 9.742 -4.557 1.00 73.32 C ATOM 1095 O ALA A 75 -15.122 10.800 -4.356 1.00 61.23 O ATOM 1096 CB ALA A 75 -12.823 9.476 -6.369 1.00 35.52 C ATOM 0 H ALA A 75 -11.887 7.998 -4.640 1.00 22.14 H new ATOM 0 HA ALA A 75 -12.631 10.712 -4.635 1.00 0.25 H new ATOM 0 HB1 ALA A 75 -13.355 10.230 -6.949 1.00 35.52 H new ATOM 0 HB2 ALA A 75 -11.758 9.528 -6.597 1.00 35.52 H new ATOM 0 HB3 ALA A 75 -13.201 8.487 -6.626 1.00 35.52 H new ATOM 1102 N GLY A 76 -15.125 8.555 -4.506 1.00 10.02 N ATOM 1103 CA GLY A 76 -16.540 8.450 -4.203 1.00 75.14 C ATOM 1104 C GLY A 76 -16.863 8.872 -2.784 1.00 22.24 C ATOM 1105 O GLY A 76 -17.892 9.497 -2.534 1.00 13.15 O ATOM 0 H GLY A 76 -14.654 7.665 -4.669 1.00 10.02 H new ATOM 0 HA2 GLY A 76 -17.104 9.069 -4.900 1.00 75.14 H new ATOM 0 HA3 GLY A 76 -16.865 7.421 -4.355 1.00 75.14 H new ATOM 1109 N ASN A 77 -15.981 8.527 -1.851 1.00 2.42 N ATOM 1110 CA ASN A 77 -16.178 8.873 -0.448 1.00 31.33 C ATOM 1111 C ASN A 77 -15.967 10.367 -0.220 1.00 72.53 C ATOM 1112 O ASN A 77 -16.857 11.063 0.269 1.00 60.14 O ATOM 1113 CB ASN A 77 -15.221 8.071 0.436 1.00 64.31 C ATOM 1114 CG ASN A 77 -15.771 6.703 0.792 1.00 2.20 C ATOM 1115 OD1 ASN A 77 -16.493 6.550 1.777 1.00 23.44 O ATOM 1116 ND2 ASN A 77 -15.431 5.701 -0.011 1.00 2.43 N ATOM 0 H ASN A 77 -15.124 8.008 -2.041 1.00 2.42 H new ATOM 0 HA ASN A 77 -17.205 8.624 -0.180 1.00 31.33 H new ATOM 0 HB2 ASN A 77 -14.268 7.953 -0.079 1.00 64.31 H new ATOM 0 HB3 ASN A 77 -15.022 8.629 1.351 1.00 64.31 H new ATOM 0 HD21 ASN A 77 -15.771 4.758 0.178 1.00 2.43 H new ATOM 0 HD22 ASN A 77 -14.830 5.874 -0.817 1.00 2.43 H new ATOM 1123 N VAL A 78 -14.783 10.853 -0.579 1.00 72.20 N ATOM 1124 CA VAL A 78 -14.455 12.264 -0.416 1.00 51.11 C ATOM 1125 C VAL A 78 -15.463 13.150 -1.139 1.00 74.34 C ATOM 1126 O VAL A 78 -15.780 14.249 -0.683 1.00 73.44 O ATOM 1127 CB VAL A 78 -13.042 12.577 -0.944 1.00 33.50 C ATOM 1128 CG1 VAL A 78 -12.731 14.058 -0.792 1.00 62.41 C ATOM 1129 CG2 VAL A 78 -12.005 11.728 -0.223 1.00 52.54 C ATOM 0 H VAL A 78 -14.035 10.290 -0.985 1.00 72.20 H new ATOM 0 HA VAL A 78 -14.491 12.475 0.653 1.00 51.11 H new ATOM 0 HB VAL A 78 -13.006 12.331 -2.005 1.00 33.50 H new ATOM 0 HG11 VAL A 78 -11.729 14.260 -1.170 1.00 62.41 H new ATOM 0 HG12 VAL A 78 -13.457 14.642 -1.358 1.00 62.41 H new ATOM 0 HG13 VAL A 78 -12.784 14.335 0.261 1.00 62.41 H new ATOM 0 HG21 VAL A 78 -11.012 11.961 -0.608 1.00 52.54 H new ATOM 0 HG22 VAL A 78 -12.039 11.941 0.845 1.00 52.54 H new ATOM 0 HG23 VAL A 78 -12.220 10.672 -0.389 1.00 52.54 H new ATOM 1139 N PHE A 79 -15.965 12.664 -2.270 1.00 52.10 N ATOM 1140 CA PHE A 79 -16.938 13.412 -3.058 1.00 32.21 C ATOM 1141 C PHE A 79 -18.138 13.811 -2.204 1.00 1.21 C ATOM 1142 O PHE A 79 -18.648 14.926 -2.314 1.00 70.31 O ATOM 1143 CB PHE A 79 -17.404 12.580 -4.255 1.00 11.13 C ATOM 1144 CG PHE A 79 -18.556 13.193 -4.999 1.00 11.05 C ATOM 1145 CD1 PHE A 79 -19.797 12.576 -5.011 1.00 2.43 C ATOM 1146 CD2 PHE A 79 -18.398 14.386 -5.686 1.00 71.41 C ATOM 1147 CE1 PHE A 79 -20.859 13.138 -5.694 1.00 32.02 C ATOM 1148 CE2 PHE A 79 -19.457 14.952 -6.371 1.00 3.05 C ATOM 1149 CZ PHE A 79 -20.688 14.327 -6.376 1.00 34.15 C ATOM 0 H PHE A 79 -15.714 11.756 -2.661 1.00 52.10 H new ATOM 0 HA PHE A 79 -16.455 14.319 -3.421 1.00 32.21 H new ATOM 0 HB2 PHE A 79 -16.568 12.446 -4.942 1.00 11.13 H new ATOM 0 HB3 PHE A 79 -17.693 11.588 -3.907 1.00 11.13 H new ATOM 0 HD1 PHE A 79 -19.936 11.645 -4.481 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -17.437 14.879 -5.686 1.00 71.41 H new ATOM 0 HE1 PHE A 79 -21.821 12.648 -5.694 1.00 32.02 H new ATOM 0 HE2 PHE A 79 -19.321 15.883 -6.902 1.00 3.05 H new ATOM 0 HZ PHE A 79 -21.516 14.767 -6.912 1.00 34.15 H new ATOM 1159 N MET A 80 -18.583 12.892 -1.353 1.00 52.41 N ATOM 1160 CA MET A 80 -19.722 13.149 -0.480 1.00 35.54 C ATOM 1161 C MET A 80 -19.259 13.642 0.887 1.00 13.24 C ATOM 1162 O MET A 80 -20.025 14.259 1.628 1.00 2.24 O ATOM 1163 CB MET A 80 -20.564 11.881 -0.319 1.00 12.12 C ATOM 1164 CG MET A 80 -21.439 11.575 -1.524 1.00 45.30 C ATOM 1165 SD MET A 80 -23.151 11.236 -1.072 1.00 2.32 S ATOM 1166 CE MET A 80 -23.955 12.731 -1.645 1.00 64.31 C ATOM 0 H MET A 80 -18.173 11.964 -1.250 1.00 52.41 H new ATOM 0 HA MET A 80 -20.332 13.927 -0.939 1.00 35.54 H new ATOM 0 HB2 MET A 80 -19.901 11.035 -0.138 1.00 12.12 H new ATOM 0 HB3 MET A 80 -21.197 11.985 0.562 1.00 12.12 H new ATOM 0 HG2 MET A 80 -21.410 12.419 -2.213 1.00 45.30 H new ATOM 0 HG3 MET A 80 -21.031 10.715 -2.056 1.00 45.30 H new ATOM 0 HE1 MET A 80 -25.023 12.673 -1.436 1.00 64.31 H new ATOM 0 HE2 MET A 80 -23.531 13.593 -1.130 1.00 64.31 H new ATOM 0 HE3 MET A 80 -23.801 12.838 -2.719 1.00 64.31 H new ATOM 1176 N LYS A 81 -18.002 13.366 1.216 1.00 3.51 N ATOM 1177 CA LYS A 81 -17.435 13.783 2.493 1.00 34.05 C ATOM 1178 C LYS A 81 -17.164 15.284 2.505 1.00 63.13 C ATOM 1179 O LYS A 81 -17.668 16.009 3.362 1.00 2.33 O ATOM 1180 CB LYS A 81 -16.140 13.017 2.774 1.00 14.44 C ATOM 1181 CG LYS A 81 -16.165 12.238 4.078 1.00 71.02 C ATOM 1182 CD LYS A 81 -16.256 10.741 3.831 1.00 51.40 C ATOM 1183 CE LYS A 81 -17.701 10.284 3.707 1.00 73.13 C ATOM 1184 NZ LYS A 81 -18.269 9.875 5.021 1.00 2.24 N ATOM 0 H LYS A 81 -17.356 12.855 0.615 1.00 3.51 H new ATOM 0 HA LYS A 81 -18.160 13.557 3.275 1.00 34.05 H new ATOM 0 HB2 LYS A 81 -15.950 12.327 1.952 1.00 14.44 H new ATOM 0 HB3 LYS A 81 -15.309 13.722 2.797 1.00 14.44 H new ATOM 0 HG2 LYS A 81 -15.265 12.459 4.652 1.00 71.02 H new ATOM 0 HG3 LYS A 81 -17.015 12.561 4.680 1.00 71.02 H new ATOM 0 HD2 LYS A 81 -15.714 10.488 2.920 1.00 51.40 H new ATOM 0 HD3 LYS A 81 -15.773 10.206 4.649 1.00 51.40 H new ATOM 0 HE2 LYS A 81 -18.302 11.091 3.287 1.00 73.13 H new ATOM 0 HE3 LYS A 81 -17.759 9.448 3.010 1.00 73.13 H new ATOM 0 HZ1 LYS A 81 -19.255 9.570 4.893 1.00 2.24 H new ATOM 0 HZ2 LYS A 81 -17.711 9.088 5.411 1.00 2.24 H new ATOM 0 HZ3 LYS A 81 -18.238 10.680 5.678 1.00 2.24 H new ATOM 1198 N TYR A 82 -16.366 15.743 1.547 1.00 1.11 N ATOM 1199 CA TYR A 82 -16.027 17.158 1.448 1.00 61.32 C ATOM 1200 C TYR A 82 -16.509 17.742 0.124 1.00 73.15 C ATOM 1201 O TYR A 82 -16.794 18.935 0.025 1.00 31.40 O ATOM 1202 CB TYR A 82 -14.516 17.352 1.583 1.00 2.44 C ATOM 1203 CG TYR A 82 -13.878 16.443 2.609 1.00 63.42 C ATOM 1204 CD1 TYR A 82 -14.423 16.305 3.879 1.00 13.34 C ATOM 1205 CD2 TYR A 82 -12.729 15.721 2.308 1.00 52.32 C ATOM 1206 CE1 TYR A 82 -13.844 15.476 4.820 1.00 65.11 C ATOM 1207 CE2 TYR A 82 -12.144 14.888 3.241 1.00 5.44 C ATOM 1208 CZ TYR A 82 -12.704 14.769 4.496 1.00 52.21 C ATOM 1209 OH TYR A 82 -12.123 13.942 5.429 1.00 21.32 O ATOM 0 H TYR A 82 -15.942 15.156 0.828 1.00 1.11 H new ATOM 0 HA TYR A 82 -16.529 17.684 2.261 1.00 61.32 H new ATOM 0 HB2 TYR A 82 -14.048 17.178 0.614 1.00 2.44 H new ATOM 0 HB3 TYR A 82 -14.314 18.389 1.853 1.00 2.44 H new ATOM 0 HD1 TYR A 82 -15.316 16.856 4.135 1.00 13.34 H new ATOM 0 HD2 TYR A 82 -12.286 15.813 1.327 1.00 52.32 H new ATOM 0 HE1 TYR A 82 -14.281 15.382 5.803 1.00 65.11 H new ATOM 0 HE2 TYR A 82 -11.253 14.333 2.989 1.00 5.44 H new ATOM 0 HH TYR A 82 -12.660 13.128 5.524 1.00 21.32 H new ATOM 1219 N GLY A 83 -16.599 16.890 -0.894 1.00 10.42 N ATOM 1220 CA GLY A 83 -17.048 17.339 -2.199 1.00 64.21 C ATOM 1221 C GLY A 83 -16.296 18.563 -2.682 1.00 4.35 C ATOM 1222 O GLY A 83 -16.862 19.653 -2.767 1.00 63.40 O ATOM 0 H GLY A 83 -16.369 15.898 -0.838 1.00 10.42 H new ATOM 0 HA2 GLY A 83 -16.923 16.532 -2.920 1.00 64.21 H new ATOM 0 HA3 GLY A 83 -18.113 17.565 -2.155 1.00 64.21 H new ATOM 1226 N GLN A 84 -15.017 18.385 -2.996 1.00 24.42 N ATOM 1227 CA GLN A 84 -14.186 19.485 -3.470 1.00 1.34 C ATOM 1228 C GLN A 84 -14.281 20.683 -2.530 1.00 24.54 C ATOM 1229 O GLN A 84 -14.422 21.821 -2.973 1.00 55.42 O ATOM 1230 CB GLN A 84 -14.605 19.897 -4.882 1.00 65.52 C ATOM 1231 CG GLN A 84 -14.218 18.886 -5.950 1.00 31.32 C ATOM 1232 CD GLN A 84 -14.723 19.270 -7.327 1.00 22.51 C ATOM 1233 OE1 GLN A 84 -14.964 20.444 -7.607 1.00 45.13 O ATOM 1234 NE2 GLN A 84 -14.886 18.278 -8.195 1.00 43.44 N ATOM 0 H GLN A 84 -14.534 17.489 -2.931 1.00 24.42 H new ATOM 0 HA GLN A 84 -13.151 19.142 -3.491 1.00 1.34 H new ATOM 0 HB2 GLN A 84 -15.685 20.041 -4.904 1.00 65.52 H new ATOM 0 HB3 GLN A 84 -14.150 20.858 -5.121 1.00 65.52 H new ATOM 0 HG2 GLN A 84 -13.133 18.791 -5.979 1.00 31.32 H new ATOM 0 HG3 GLN A 84 -14.617 17.908 -5.681 1.00 31.32 H new ATOM 0 HE21 GLN A 84 -14.674 17.319 -7.919 1.00 43.44 H new ATOM 0 HE22 GLN A 84 -15.224 18.475 -9.137 1.00 43.44 H new ATOM 1243 N GLU A 85 -14.201 20.416 -1.230 1.00 34.24 N ATOM 1244 CA GLU A 85 -14.280 21.472 -0.228 1.00 4.34 C ATOM 1245 C GLU A 85 -13.690 21.007 1.101 1.00 73.12 C ATOM 1246 O GLU A 85 -14.422 20.661 2.029 1.00 1.41 O ATOM 1247 CB GLU A 85 -15.732 21.910 -0.028 1.00 51.23 C ATOM 1248 CG GLU A 85 -15.874 23.339 0.470 1.00 73.34 C ATOM 1249 CD GLU A 85 -16.282 24.302 -0.629 1.00 25.43 C ATOM 1250 OE1 GLU A 85 -17.431 24.789 -0.594 1.00 30.24 O ATOM 1251 OE2 GLU A 85 -15.452 24.568 -1.523 1.00 62.40 O ATOM 0 H GLU A 85 -14.082 19.478 -0.847 1.00 34.24 H new ATOM 0 HA GLU A 85 -13.699 22.321 -0.587 1.00 4.34 H new ATOM 0 HB2 GLU A 85 -16.267 21.809 -0.972 1.00 51.23 H new ATOM 0 HB3 GLU A 85 -16.211 21.237 0.683 1.00 51.23 H new ATOM 0 HG2 GLU A 85 -16.615 23.370 1.268 1.00 73.34 H new ATOM 0 HG3 GLU A 85 -14.928 23.665 0.901 1.00 73.34 H new ATOM 1258 N ILE A 86 -12.364 21.000 1.183 1.00 12.41 N ATOM 1259 CA ILE A 86 -11.677 20.578 2.397 1.00 3.20 C ATOM 1260 C ILE A 86 -10.448 21.442 2.662 1.00 70.25 C ATOM 1261 O ILE A 86 -9.758 21.859 1.731 1.00 21.13 O ATOM 1262 CB ILE A 86 -11.245 19.102 2.315 1.00 2.21 C ATOM 1263 CG1 ILE A 86 -10.491 18.697 3.584 1.00 54.42 C ATOM 1264 CG2 ILE A 86 -10.382 18.870 1.084 1.00 51.34 C ATOM 1265 CD1 ILE A 86 -10.027 17.258 3.578 1.00 72.24 C ATOM 0 H ILE A 86 -11.744 21.282 0.423 1.00 12.41 H new ATOM 0 HA ILE A 86 -12.385 20.696 3.217 1.00 3.20 H new ATOM 0 HB ILE A 86 -12.138 18.482 2.231 1.00 2.21 H new ATOM 0 HG12 ILE A 86 -9.626 19.349 3.706 1.00 54.42 H new ATOM 0 HG13 ILE A 86 -11.136 18.859 4.447 1.00 54.42 H new ATOM 0 HG21 ILE A 86 -10.085 17.822 1.040 1.00 51.34 H new ATOM 0 HG22 ILE A 86 -10.950 19.124 0.189 1.00 51.34 H new ATOM 0 HG23 ILE A 86 -9.492 19.497 1.140 1.00 51.34 H new ATOM 0 HD11 ILE A 86 -9.501 17.042 4.508 1.00 72.24 H new ATOM 0 HD12 ILE A 86 -10.890 16.598 3.487 1.00 72.24 H new ATOM 0 HD13 ILE A 86 -9.356 17.096 2.735 1.00 72.24 H new ATOM 1277 N ARG A 87 -10.180 21.705 3.936 1.00 22.03 N ATOM 1278 CA ARG A 87 -9.034 22.518 4.324 1.00 43.42 C ATOM 1279 C ARG A 87 -7.964 21.665 4.999 1.00 34.41 C ATOM 1280 O ARG A 87 -8.272 20.802 5.823 1.00 72.35 O ATOM 1281 CB ARG A 87 -9.473 23.642 5.264 1.00 13.12 C ATOM 1282 CG ARG A 87 -9.251 25.034 4.696 1.00 44.01 C ATOM 1283 CD ARG A 87 -7.769 25.353 4.567 1.00 33.23 C ATOM 1284 NE ARG A 87 -7.430 26.635 5.178 1.00 14.41 N ATOM 1285 CZ ARG A 87 -6.327 27.317 4.891 1.00 11.33 C ATOM 1286 NH1 ARG A 87 -5.461 26.842 4.007 1.00 30.11 N ATOM 1287 NH2 ARG A 87 -6.089 28.478 5.489 1.00 23.31 N ATOM 0 H ARG A 87 -10.741 21.367 4.718 1.00 22.03 H new ATOM 0 HA ARG A 87 -8.609 22.955 3.420 1.00 43.42 H new ATOM 0 HB2 ARG A 87 -10.531 23.518 5.495 1.00 13.12 H new ATOM 0 HB3 ARG A 87 -8.928 23.551 6.204 1.00 13.12 H new ATOM 0 HG2 ARG A 87 -9.727 25.109 3.718 1.00 44.01 H new ATOM 0 HG3 ARG A 87 -9.728 25.772 5.341 1.00 44.01 H new ATOM 0 HD2 ARG A 87 -7.186 24.562 5.038 1.00 33.23 H new ATOM 0 HD3 ARG A 87 -7.492 25.369 3.513 1.00 33.23 H new ATOM 0 HE ARG A 87 -8.076 27.028 5.863 1.00 14.41 H new ATOM 0 HH11 ARG A 87 -5.641 25.951 3.545 1.00 30.11 H new ATOM 0 HH12 ARG A 87 -4.615 27.368 3.789 1.00 30.11 H new ATOM 0 HH21 ARG A 87 -6.753 28.847 6.169 1.00 23.31 H new ATOM 0 HH22 ARG A 87 -5.242 29.001 5.268 1.00 23.31 H new ATOM 1301 N LEU A 88 -6.708 21.910 4.645 1.00 1.30 N ATOM 1302 CA LEU A 88 -5.592 21.164 5.216 1.00 31.12 C ATOM 1303 C LEU A 88 -5.084 21.834 6.489 1.00 62.50 C ATOM 1304 O LEU A 88 -4.710 23.007 6.478 1.00 72.20 O ATOM 1305 CB LEU A 88 -4.456 21.048 4.199 1.00 50.35 C ATOM 1306 CG LEU A 88 -4.184 19.646 3.653 1.00 51.15 C ATOM 1307 CD1 LEU A 88 -3.600 18.755 4.738 1.00 71.25 C ATOM 1308 CD2 LEU A 88 -5.459 19.037 3.088 1.00 34.03 C ATOM 0 H LEU A 88 -6.436 22.620 3.965 1.00 1.30 H new ATOM 0 HA LEU A 88 -5.947 20.165 5.470 1.00 31.12 H new ATOM 0 HB2 LEU A 88 -4.679 21.706 3.359 1.00 50.35 H new ATOM 0 HB3 LEU A 88 -3.542 21.420 4.662 1.00 50.35 H new ATOM 0 HG LEU A 88 -3.455 19.726 2.846 1.00 51.15 H new ATOM 0 HD11 LEU A 88 -3.413 17.761 4.331 1.00 71.25 H new ATOM 0 HD12 LEU A 88 -2.663 19.183 5.095 1.00 71.25 H new ATOM 0 HD13 LEU A 88 -4.305 18.681 5.566 1.00 71.25 H new ATOM 0 HD21 LEU A 88 -5.246 18.039 2.704 1.00 34.03 H new ATOM 0 HD22 LEU A 88 -6.210 18.970 3.875 1.00 34.03 H new ATOM 0 HD23 LEU A 88 -5.835 19.664 2.280 1.00 34.03 H new ATOM 1320 N ILE A 89 -5.071 21.080 7.583 1.00 22.21 N ATOM 1321 CA ILE A 89 -4.605 21.600 8.863 1.00 60.43 C ATOM 1322 C ILE A 89 -3.557 20.680 9.481 1.00 14.11 C ATOM 1323 O ILE A 89 -3.723 19.462 9.541 1.00 24.41 O ATOM 1324 CB ILE A 89 -5.769 21.775 9.856 1.00 24.14 C ATOM 1325 CG1 ILE A 89 -6.847 22.681 9.258 1.00 5.23 C ATOM 1326 CG2 ILE A 89 -5.260 22.345 11.172 1.00 31.42 C ATOM 1327 CD1 ILE A 89 -8.147 22.665 10.031 1.00 23.12 C ATOM 0 H ILE A 89 -5.378 20.108 7.609 1.00 22.21 H new ATOM 0 HA ILE A 89 -4.158 22.574 8.665 1.00 60.43 H new ATOM 0 HB ILE A 89 -6.211 20.798 10.052 1.00 24.14 H new ATOM 0 HG12 ILE A 89 -6.470 23.703 9.218 1.00 5.23 H new ATOM 0 HG13 ILE A 89 -7.041 22.372 8.231 1.00 5.23 H new ATOM 0 HG21 ILE A 89 -6.094 22.463 11.864 1.00 31.42 H new ATOM 0 HG22 ILE A 89 -4.525 21.665 11.603 1.00 31.42 H new ATOM 0 HG23 ILE A 89 -4.796 23.315 10.993 1.00 31.42 H new ATOM 0 HD11 ILE A 89 -8.865 23.330 9.550 1.00 23.12 H new ATOM 0 HD12 ILE A 89 -8.547 21.651 10.049 1.00 23.12 H new ATOM 0 HD13 ILE A 89 -7.968 23.003 11.052 1.00 23.12 H new ATOM 1339 N PRO A 90 -2.453 21.276 9.954 1.00 23.24 N ATOM 1340 CA PRO A 90 -1.357 20.529 10.579 1.00 2.34 C ATOM 1341 C PRO A 90 -1.747 19.955 11.937 1.00 60.42 C ATOM 1342 O PRO A 90 -1.375 20.493 12.980 1.00 42.15 O ATOM 1343 CB PRO A 90 -0.257 21.582 10.740 1.00 32.14 C ATOM 1344 CG PRO A 90 -0.983 22.882 10.801 1.00 62.44 C ATOM 1345 CD PRO A 90 -2.189 22.724 9.916 1.00 23.03 C ATOM 0 HA PRO A 90 -1.058 19.668 9.982 1.00 2.34 H new ATOM 0 HB2 PRO A 90 0.325 21.411 11.645 1.00 32.14 H new ATOM 0 HB3 PRO A 90 0.441 21.557 9.903 1.00 32.14 H new ATOM 0 HG2 PRO A 90 -1.277 23.117 11.824 1.00 62.44 H new ATOM 0 HG3 PRO A 90 -0.350 23.699 10.456 1.00 62.44 H new ATOM 0 HD2 PRO A 90 -3.038 23.297 10.288 1.00 23.03 H new ATOM 0 HD3 PRO A 90 -1.991 23.070 8.901 1.00 23.03 H new ATOM 1353 N ARG A 91 -2.498 18.858 11.916 1.00 11.44 N ATOM 1354 CA ARG A 91 -2.939 18.211 13.146 1.00 10.42 C ATOM 1355 C ARG A 91 -2.393 16.790 13.239 1.00 63.33 C ATOM 1356 O ARG A 91 -1.993 16.201 12.234 1.00 50.10 O ATOM 1357 CB ARG A 91 -4.467 18.188 13.215 1.00 31.55 C ATOM 1358 CG ARG A 91 -5.015 18.325 14.627 1.00 50.14 C ATOM 1359 CD ARG A 91 -6.422 17.759 14.735 1.00 13.13 C ATOM 1360 NE ARG A 91 -7.266 18.557 15.621 1.00 53.25 N ATOM 1361 CZ ARG A 91 -8.517 18.235 15.931 1.00 51.24 C ATOM 1362 NH1 ARG A 91 -9.066 17.137 15.430 1.00 30.12 N ATOM 1363 NH2 ARG A 91 -9.222 19.012 16.743 1.00 5.35 N ATOM 0 H ARG A 91 -2.813 18.399 11.061 1.00 11.44 H new ATOM 0 HA ARG A 91 -2.553 18.785 13.988 1.00 10.42 H new ATOM 0 HB2 ARG A 91 -4.862 18.997 12.601 1.00 31.55 H new ATOM 0 HB3 ARG A 91 -4.828 17.254 12.783 1.00 31.55 H new ATOM 0 HG2 ARG A 91 -4.358 17.806 15.325 1.00 50.14 H new ATOM 0 HG3 ARG A 91 -5.021 19.376 14.916 1.00 50.14 H new ATOM 0 HD2 ARG A 91 -6.874 17.718 13.744 1.00 13.13 H new ATOM 0 HD3 ARG A 91 -6.374 16.735 15.106 1.00 13.13 H new ATOM 0 HE ARG A 91 -6.873 19.408 16.024 1.00 53.25 H new ATOM 0 HH11 ARG A 91 -8.528 16.537 14.805 1.00 30.12 H new ATOM 0 HH12 ARG A 91 -10.027 16.892 15.670 1.00 30.12 H new ATOM 0 HH21 ARG A 91 -8.804 19.858 17.130 1.00 5.35 H new ATOM 0 HH22 ARG A 91 -10.182 18.764 16.980 1.00 5.35 H new ATOM 1377 N ASP A 92 -2.378 16.245 14.450 1.00 33.31 N ATOM 1378 CA ASP A 92 -1.882 14.892 14.674 1.00 4.01 C ATOM 1379 C ASP A 92 -0.398 14.795 14.334 1.00 62.33 C ATOM 1380 O ASP A 92 0.093 13.732 13.952 1.00 1.10 O ATOM 1381 CB ASP A 92 -2.677 13.889 13.837 1.00 64.22 C ATOM 1382 CG ASP A 92 -3.142 12.697 14.650 1.00 71.34 C ATOM 1383 OD1 ASP A 92 -2.613 11.586 14.431 1.00 12.44 O ATOM 1384 OD2 ASP A 92 -4.035 12.874 15.505 1.00 44.24 O ATOM 0 H ASP A 92 -2.704 16.719 15.292 1.00 33.31 H new ATOM 0 HA ASP A 92 -2.011 14.654 15.730 1.00 4.01 H new ATOM 0 HB2 ASP A 92 -3.543 14.389 13.402 1.00 64.22 H new ATOM 0 HB3 ASP A 92 -2.060 13.542 13.008 1.00 64.22 H new ATOM 1389 N ARG A 93 0.311 15.910 14.474 1.00 54.44 N ATOM 1390 CA ARG A 93 1.738 15.951 14.179 1.00 52.23 C ATOM 1391 C ARG A 93 2.446 16.976 15.060 1.00 51.33 C ATOM 1392 O ARG A 93 3.437 16.664 15.720 1.00 41.22 O ATOM 1393 CB ARG A 93 1.966 16.286 12.704 1.00 41.24 C ATOM 1394 CG ARG A 93 3.422 16.196 12.277 1.00 42.21 C ATOM 1395 CD ARG A 93 3.756 17.232 11.214 1.00 23.44 C ATOM 1396 NE ARG A 93 5.054 17.859 11.450 1.00 30.33 N ATOM 1397 CZ ARG A 93 5.523 18.870 10.729 1.00 43.34 C ATOM 1398 NH1 ARG A 93 4.805 19.367 9.731 1.00 32.10 N ATOM 1399 NH2 ARG A 93 6.714 19.388 11.005 1.00 73.35 N ATOM 0 H ARG A 93 -0.080 16.798 14.790 1.00 54.44 H new ATOM 0 HA ARG A 93 2.156 14.966 14.390 1.00 52.23 H new ATOM 0 HB2 ARG A 93 1.374 15.607 12.090 1.00 41.24 H new ATOM 0 HB3 ARG A 93 1.600 17.294 12.508 1.00 41.24 H new ATOM 0 HG2 ARG A 93 4.066 16.342 13.144 1.00 42.21 H new ATOM 0 HG3 ARG A 93 3.628 15.198 11.891 1.00 42.21 H new ATOM 0 HD2 ARG A 93 3.756 16.758 10.233 1.00 23.44 H new ATOM 0 HD3 ARG A 93 2.981 17.998 11.198 1.00 23.44 H new ATOM 0 HE ARG A 93 5.632 17.500 12.210 1.00 30.33 H new ATOM 0 HH11 ARG A 93 3.889 18.972 9.516 1.00 32.10 H new ATOM 0 HH12 ARG A 93 5.168 20.144 9.179 1.00 32.10 H new ATOM 0 HH21 ARG A 93 7.270 19.009 11.772 1.00 73.35 H new ATOM 0 HH22 ARG A 93 7.073 20.165 10.450 1.00 73.35 H new ATOM 1413 N VAL A 94 1.930 18.202 15.064 1.00 25.44 N ATOM 1414 CA VAL A 94 2.512 19.273 15.864 1.00 25.21 C ATOM 1415 C VAL A 94 2.280 19.036 17.352 1.00 11.21 C ATOM 1416 O VAL A 94 3.227 18.901 18.125 1.00 21.34 O ATOM 1417 CB VAL A 94 1.928 20.644 15.476 1.00 1.01 C ATOM 1418 CG1 VAL A 94 2.641 21.760 16.225 1.00 63.35 C ATOM 1419 CG2 VAL A 94 2.020 20.856 13.972 1.00 23.35 C ATOM 0 H VAL A 94 1.111 18.477 14.522 1.00 25.44 H new ATOM 0 HA VAL A 94 3.583 19.273 15.662 1.00 25.21 H new ATOM 0 HB VAL A 94 0.876 20.664 15.759 1.00 1.01 H new ATOM 0 HG11 VAL A 94 2.215 22.721 15.938 1.00 63.35 H new ATOM 0 HG12 VAL A 94 2.518 21.614 17.298 1.00 63.35 H new ATOM 0 HG13 VAL A 94 3.702 21.745 15.976 1.00 63.35 H new ATOM 0 HG21 VAL A 94 1.603 21.830 13.716 1.00 23.35 H new ATOM 0 HG22 VAL A 94 3.064 20.816 13.662 1.00 23.35 H new ATOM 0 HG23 VAL A 94 1.459 20.075 13.459 1.00 23.35 H new ATOM 1429 N GLY A 95 1.011 18.987 17.747 1.00 41.01 N ATOM 1430 CA GLY A 95 0.676 18.766 19.142 1.00 42.24 C ATOM 1431 C GLY A 95 1.176 17.430 19.653 1.00 32.42 C ATOM 1432 O GLY A 95 2.078 17.375 20.489 1.00 50.42 O ATOM 0 H GLY A 95 0.209 19.096 17.126 1.00 41.01 H new ATOM 0 HA2 GLY A 95 1.104 19.566 19.746 1.00 42.24 H new ATOM 0 HA3 GLY A 95 -0.406 18.817 19.265 1.00 42.24 H new TER 1436 GLY A 95