USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 812 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-2.1) USER MOD Set 2.1: A 36 HIS : no HE2:sc= 0.022 K(o=0.85,f=-4.4!) USER MOD Set 2.2: A 87 TYR OH : rot -145:sc= 0.832 USER MOD Set 3.1: A 11 HIS : no HE2:sc= 0.196 K(o=1.5,f=-3.8) USER MOD Set 3.2: A 18 THR OG1 : rot 144:sc= 1.31 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0471 (180deg=-0.567) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 71:sc= 0.478 USER MOD Single : A 51 GLN : amide:sc= 0.432 X(o=0.43,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= 0.436 (180deg=0.236) USER MOD Single : A 56 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -66:sc= 1.33 USER MOD Single : A 93 THR OG1 : rot -27:sc= 0.91 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.486 K(o=0.49,f=-0.016) USER MOD Single : A 102 TYR OH : rot -109:sc= 0.325 USER MOD Single : A 108 SER OG : rot 94:sc= 0.0212 USER MOD Single : A 111 LYS NZ :NH3+ -133:sc= 1.19 (180deg=0.649) USER MOD Single : A 112 SER OG : rot 180:sc= -0.108 USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 2 17.629 -1.975 10.876 1.00 21.33 N ATOM 9 CA MET A 2 17.218 -1.492 9.563 1.00 75.52 C ATOM 10 C MET A 2 16.933 -2.715 8.691 1.00 41.55 C ATOM 11 O MET A 2 17.530 -3.783 8.882 1.00 54.44 O ATOM 12 CB MET A 2 18.181 -0.450 8.959 1.00 11.02 C ATOM 13 CG MET A 2 19.381 -1.073 8.261 1.00 71.44 C ATOM 14 SD MET A 2 21.022 -0.401 8.645 1.00 13.20 S ATOM 15 CE MET A 2 20.841 1.334 8.161 1.00 41.14 C ATOM 0 HA MET A 2 16.299 -0.911 9.642 1.00 75.52 H new ATOM 0 HB2 MET A 2 17.636 0.168 8.246 1.00 11.02 H new ATOM 0 HB3 MET A 2 18.533 0.211 9.751 1.00 11.02 H new ATOM 0 HG2 MET A 2 19.391 -2.137 8.496 1.00 71.44 H new ATOM 0 HG3 MET A 2 19.226 -0.986 7.186 1.00 71.44 H new ATOM 0 HE1 MET A 2 21.777 1.862 8.344 1.00 41.14 H new ATOM 0 HE2 MET A 2 20.593 1.392 7.101 1.00 41.14 H new ATOM 0 HE3 MET A 2 20.044 1.794 8.746 1.00 41.14 H new ATOM 25 N ARG A 3 16.040 -2.575 7.721 1.00 40.32 N ATOM 26 CA ARG A 3 15.667 -3.597 6.759 1.00 13.22 C ATOM 27 C ARG A 3 15.739 -2.907 5.403 1.00 32.32 C ATOM 28 O ARG A 3 14.820 -2.179 5.040 1.00 65.43 O ATOM 29 CB ARG A 3 14.261 -4.143 7.098 1.00 45.02 C ATOM 30 CG ARG A 3 14.075 -4.802 8.479 1.00 11.22 C ATOM 31 CD ARG A 3 14.644 -6.224 8.570 1.00 23.55 C ATOM 32 NE ARG A 3 16.102 -6.253 8.426 1.00 1.11 N ATOM 33 CZ ARG A 3 16.862 -7.333 8.238 1.00 44.14 C ATOM 34 NH1 ARG A 3 16.409 -8.563 8.455 1.00 2.42 N ATOM 35 NH2 ARG A 3 18.111 -7.156 7.840 1.00 41.13 N ATOM 0 H ARG A 3 15.532 -1.702 7.579 1.00 40.32 H new ATOM 0 HA ARG A 3 16.323 -4.468 6.768 1.00 13.22 H new ATOM 0 HB2 ARG A 3 13.551 -3.320 7.018 1.00 45.02 H new ATOM 0 HB3 ARG A 3 13.990 -4.873 6.336 1.00 45.02 H new ATOM 0 HG2 ARG A 3 14.554 -4.180 9.235 1.00 11.22 H new ATOM 0 HG3 ARG A 3 13.012 -4.831 8.717 1.00 11.22 H new ATOM 0 HD2 ARG A 3 14.368 -6.662 9.529 1.00 23.55 H new ATOM 0 HD3 ARG A 3 14.193 -6.843 7.795 1.00 23.55 H new ATOM 0 HE ARG A 3 16.585 -5.356 8.474 1.00 1.11 H new ATOM 0 HH11 ARG A 3 15.451 -8.705 8.776 1.00 2.42 H new ATOM 0 HH12 ARG A 3 17.019 -9.366 8.301 1.00 2.42 H new ATOM 0 HH21 ARG A 3 18.468 -6.213 7.685 1.00 41.13 H new ATOM 0 HH22 ARG A 3 18.717 -7.962 7.688 1.00 41.13 H new ATOM 49 N ILE A 4 16.850 -3.051 4.680 1.00 54.12 N ATOM 50 CA ILE A 4 17.031 -2.409 3.370 1.00 23.24 C ATOM 51 C ILE A 4 17.007 -3.510 2.305 1.00 12.33 C ATOM 52 O ILE A 4 17.739 -4.494 2.462 1.00 40.32 O ATOM 53 CB ILE A 4 18.304 -1.534 3.326 1.00 32.13 C ATOM 54 CG1 ILE A 4 18.186 -0.453 4.420 1.00 42.24 C ATOM 55 CG2 ILE A 4 18.501 -0.902 1.934 1.00 42.22 C ATOM 56 CD1 ILE A 4 19.317 0.577 4.427 1.00 20.23 C ATOM 0 H ILE A 4 17.648 -3.612 4.980 1.00 54.12 H new ATOM 0 HA ILE A 4 16.218 -1.710 3.171 1.00 23.24 H new ATOM 0 HB ILE A 4 19.182 -2.153 3.514 1.00 32.13 H new ATOM 0 HG12 ILE A 4 17.238 0.070 4.294 1.00 42.24 H new ATOM 0 HG13 ILE A 4 18.153 -0.943 5.393 1.00 42.24 H new ATOM 0 HG21 ILE A 4 19.405 -0.293 1.936 1.00 42.22 H new ATOM 0 HG22 ILE A 4 18.596 -1.690 1.187 1.00 42.22 H new ATOM 0 HG23 ILE A 4 17.642 -0.276 1.694 1.00 42.22 H new ATOM 0 HD11 ILE A 4 19.149 1.296 5.229 1.00 20.23 H new ATOM 0 HD12 ILE A 4 20.269 0.071 4.587 1.00 20.23 H new ATOM 0 HD13 ILE A 4 19.340 1.099 3.470 1.00 20.23 H new ATOM 68 N PRO A 5 16.178 -3.385 1.255 1.00 73.42 N ATOM 69 CA PRO A 5 15.915 -4.447 0.289 1.00 12.20 C ATOM 70 C PRO A 5 17.100 -4.753 -0.624 1.00 53.32 C ATOM 71 O PRO A 5 18.095 -4.027 -0.670 1.00 1.54 O ATOM 72 CB PRO A 5 14.697 -3.974 -0.509 1.00 62.23 C ATOM 73 CG PRO A 5 14.779 -2.460 -0.420 1.00 41.14 C ATOM 74 CD PRO A 5 15.321 -2.243 0.979 1.00 12.50 C ATOM 0 HA PRO A 5 15.734 -5.390 0.805 1.00 12.20 H new ATOM 0 HB2 PRO A 5 14.737 -4.318 -1.543 1.00 62.23 H new ATOM 0 HB3 PRO A 5 13.767 -4.351 -0.083 1.00 62.23 H new ATOM 0 HG2 PRO A 5 15.440 -2.044 -1.180 1.00 41.14 H new ATOM 0 HG3 PRO A 5 13.804 -1.992 -0.555 1.00 41.14 H new ATOM 0 HD2 PRO A 5 15.881 -1.310 1.041 1.00 12.50 H new ATOM 0 HD3 PRO A 5 14.511 -2.177 1.706 1.00 12.50 H new ATOM 82 N SER A 6 16.954 -5.830 -1.390 1.00 25.32 N ATOM 83 CA SER A 6 17.801 -6.224 -2.507 1.00 13.41 C ATOM 84 C SER A 6 16.937 -6.816 -3.623 1.00 20.50 C ATOM 85 O SER A 6 17.269 -6.635 -4.793 1.00 21.25 O ATOM 86 CB SER A 6 18.823 -7.242 -2.005 1.00 13.33 C ATOM 87 OG SER A 6 19.788 -7.598 -2.964 1.00 43.22 O ATOM 0 H SER A 6 16.193 -6.491 -1.236 1.00 25.32 H new ATOM 0 HA SER A 6 18.328 -5.360 -2.912 1.00 13.41 H new ATOM 0 HB2 SER A 6 19.328 -6.834 -1.129 1.00 13.33 H new ATOM 0 HB3 SER A 6 18.298 -8.140 -1.681 1.00 13.33 H new ATOM 0 HG SER A 6 20.409 -8.249 -2.577 1.00 43.22 H new ATOM 93 N ALA A 7 15.825 -7.483 -3.284 1.00 3.03 N ATOM 94 CA ALA A 7 14.765 -7.756 -4.234 1.00 12.10 C ATOM 95 C ALA A 7 13.880 -6.515 -4.271 1.00 63.13 C ATOM 96 O ALA A 7 13.345 -6.111 -3.234 1.00 5.41 O ATOM 97 CB ALA A 7 13.968 -8.996 -3.816 1.00 74.53 C ATOM 0 H ALA A 7 15.646 -7.842 -2.346 1.00 3.03 H new ATOM 0 HA ALA A 7 15.169 -7.967 -5.224 1.00 12.10 H new ATOM 0 HB1 ALA A 7 13.178 -9.183 -4.543 1.00 74.53 H new ATOM 0 HB2 ALA A 7 14.633 -9.859 -3.774 1.00 74.53 H new ATOM 0 HB3 ALA A 7 13.526 -8.830 -2.834 1.00 74.53 H new ATOM 103 N ILE A 8 13.755 -5.916 -5.449 1.00 5.11 N ATOM 104 CA ILE A 8 12.796 -4.877 -5.780 1.00 54.51 C ATOM 105 C ILE A 8 12.146 -5.329 -7.083 1.00 51.21 C ATOM 106 O ILE A 8 12.841 -5.518 -8.087 1.00 13.10 O ATOM 107 CB ILE A 8 13.472 -3.503 -5.980 1.00 51.03 C ATOM 108 CG1 ILE A 8 14.287 -2.984 -4.782 1.00 4.21 C ATOM 109 CG2 ILE A 8 12.406 -2.490 -6.440 1.00 22.40 C ATOM 110 CD1 ILE A 8 13.466 -2.554 -3.572 1.00 61.13 C ATOM 0 H ILE A 8 14.353 -6.157 -6.239 1.00 5.11 H new ATOM 0 HA ILE A 8 12.077 -4.746 -4.971 1.00 54.51 H new ATOM 0 HB ILE A 8 14.231 -3.636 -6.751 1.00 51.03 H new ATOM 0 HG12 ILE A 8 14.981 -3.765 -4.470 1.00 4.21 H new ATOM 0 HG13 ILE A 8 14.888 -2.137 -5.112 1.00 4.21 H new ATOM 0 HG21 ILE A 8 12.870 -1.514 -6.585 1.00 22.40 H new ATOM 0 HG22 ILE A 8 11.966 -2.826 -7.379 1.00 22.40 H new ATOM 0 HG23 ILE A 8 11.627 -2.412 -5.682 1.00 22.40 H new ATOM 0 HD11 ILE A 8 14.134 -2.205 -2.784 1.00 61.13 H new ATOM 0 HD12 ILE A 8 12.791 -1.748 -3.858 1.00 61.13 H new ATOM 0 HD13 ILE A 8 12.885 -3.401 -3.207 1.00 61.13 H new ATOM 122 N GLN A 9 10.834 -5.517 -7.077 1.00 35.31 N ATOM 123 CA GLN A 9 10.038 -5.756 -8.267 1.00 12.13 C ATOM 124 C GLN A 9 8.684 -5.114 -8.018 1.00 55.05 C ATOM 125 O GLN A 9 8.118 -5.330 -6.949 1.00 74.33 O ATOM 126 CB GLN A 9 9.864 -7.266 -8.476 1.00 5.40 C ATOM 127 CG GLN A 9 10.999 -7.910 -9.267 1.00 20.22 C ATOM 128 CD GLN A 9 10.786 -9.402 -9.499 1.00 74.35 C ATOM 129 OE1 GLN A 9 10.654 -9.834 -10.642 1.00 1.31 O ATOM 130 NE2 GLN A 9 10.758 -10.214 -8.459 1.00 23.52 N ATOM 0 H GLN A 9 10.281 -5.507 -6.220 1.00 35.31 H new ATOM 0 HA GLN A 9 10.516 -5.341 -9.154 1.00 12.13 H new ATOM 0 HB2 GLN A 9 9.789 -7.752 -7.503 1.00 5.40 H new ATOM 0 HB3 GLN A 9 8.923 -7.446 -8.996 1.00 5.40 H new ATOM 0 HG2 GLN A 9 11.096 -7.408 -10.229 1.00 20.22 H new ATOM 0 HG3 GLN A 9 11.938 -7.760 -8.734 1.00 20.22 H new ATOM 0 HE21 GLN A 9 10.869 -9.840 -7.517 1.00 23.52 H new ATOM 0 HE22 GLN A 9 10.625 -11.216 -8.598 1.00 23.52 H new ATOM 139 N LEU A 10 8.157 -4.362 -8.990 1.00 22.51 N ATOM 140 CA LEU A 10 6.803 -3.811 -8.942 1.00 42.51 C ATOM 141 C LEU A 10 5.812 -4.637 -9.776 1.00 42.33 C ATOM 142 O LEU A 10 4.627 -4.306 -9.785 1.00 72.51 O ATOM 143 CB LEU A 10 6.798 -2.326 -9.365 1.00 62.53 C ATOM 144 CG LEU A 10 6.742 -2.006 -10.875 1.00 2.20 C ATOM 145 CD1 LEU A 10 6.699 -0.488 -11.105 1.00 20.20 C ATOM 146 CD2 LEU A 10 7.942 -2.579 -11.633 1.00 23.12 C ATOM 0 H LEU A 10 8.665 -4.118 -9.840 1.00 22.51 H new ATOM 0 HA LEU A 10 6.465 -3.869 -7.907 1.00 42.51 H new ATOM 0 HB2 LEU A 10 5.943 -1.845 -8.889 1.00 62.53 H new ATOM 0 HB3 LEU A 10 7.694 -1.859 -8.957 1.00 62.53 H new ATOM 0 HG LEU A 10 5.834 -2.472 -11.256 1.00 2.20 H new ATOM 0 HD11 LEU A 10 6.660 -0.283 -12.175 1.00 20.20 H new ATOM 0 HD12 LEU A 10 5.814 -0.072 -10.623 1.00 20.20 H new ATOM 0 HD13 LEU A 10 7.592 -0.030 -10.680 1.00 20.20 H new ATOM 0 HD21 LEU A 10 7.858 -2.328 -12.690 1.00 23.12 H new ATOM 0 HD22 LEU A 10 8.862 -2.155 -11.231 1.00 23.12 H new ATOM 0 HD23 LEU A 10 7.961 -3.663 -11.518 1.00 23.12 H new ATOM 158 N HIS A 11 6.294 -5.673 -10.485 1.00 41.43 N ATOM 159 CA HIS A 11 5.515 -6.620 -11.284 1.00 61.35 C ATOM 160 C HIS A 11 4.458 -5.893 -12.114 1.00 14.12 C ATOM 161 O HIS A 11 3.272 -6.071 -11.858 1.00 71.44 O ATOM 162 CB HIS A 11 4.907 -7.737 -10.412 1.00 2.34 C ATOM 163 CG HIS A 11 5.906 -8.676 -9.790 1.00 61.21 C ATOM 164 ND1 HIS A 11 6.280 -9.884 -10.325 1.00 73.41 N ATOM 165 CD2 HIS A 11 6.592 -8.521 -8.616 1.00 2.40 C ATOM 166 CE1 HIS A 11 7.207 -10.426 -9.526 1.00 33.23 C ATOM 167 NE2 HIS A 11 7.455 -9.613 -8.491 1.00 2.12 N ATOM 0 H HIS A 11 7.293 -5.878 -10.514 1.00 41.43 H new ATOM 0 HA HIS A 11 6.195 -7.109 -11.982 1.00 61.35 H new ATOM 0 HB2 HIS A 11 4.320 -7.277 -9.617 1.00 2.34 H new ATOM 0 HB3 HIS A 11 4.216 -8.318 -11.023 1.00 2.34 H new ATOM 0 HD1 HIS A 11 5.915 -10.297 -11.183 1.00 73.41 H new ATOM 0 HD2 HIS A 11 6.486 -7.706 -7.916 1.00 2.40 H new ATOM 0 HE1 HIS A 11 7.685 -11.380 -9.692 1.00 33.23 H new ATOM 175 N LYS A 12 4.840 -5.018 -13.052 1.00 45.02 N ATOM 176 CA LYS A 12 3.873 -4.071 -13.619 1.00 42.02 C ATOM 177 C LYS A 12 2.674 -4.739 -14.301 1.00 35.24 C ATOM 178 O LYS A 12 1.614 -4.119 -14.364 1.00 64.45 O ATOM 179 CB LYS A 12 4.548 -3.091 -14.592 1.00 55.54 C ATOM 180 CG LYS A 12 4.774 -1.710 -13.968 1.00 22.51 C ATOM 181 CD LYS A 12 4.740 -0.563 -14.979 1.00 74.23 C ATOM 182 CE LYS A 12 5.970 -0.471 -15.889 1.00 23.24 C ATOM 183 NZ LYS A 12 6.061 -1.526 -16.921 1.00 14.05 N ATOM 0 H LYS A 12 5.786 -4.946 -13.427 1.00 45.02 H new ATOM 0 HA LYS A 12 3.482 -3.522 -12.763 1.00 42.02 H new ATOM 0 HB2 LYS A 12 5.505 -3.503 -14.912 1.00 55.54 H new ATOM 0 HB3 LYS A 12 3.931 -2.987 -15.485 1.00 55.54 H new ATOM 0 HG2 LYS A 12 4.012 -1.535 -13.209 1.00 22.51 H new ATOM 0 HG3 LYS A 12 5.738 -1.705 -13.459 1.00 22.51 H new ATOM 0 HD2 LYS A 12 3.852 -0.673 -15.602 1.00 74.23 H new ATOM 0 HD3 LYS A 12 4.635 0.377 -14.437 1.00 74.23 H new ATOM 0 HE2 LYS A 12 5.967 0.501 -16.383 1.00 23.24 H new ATOM 0 HE3 LYS A 12 6.866 -0.511 -15.270 1.00 23.24 H new ATOM 0 HZ1 LYS A 12 6.672 -1.201 -17.697 1.00 14.05 H new ATOM 0 HZ2 LYS A 12 6.464 -2.388 -16.501 1.00 14.05 H new ATOM 0 HZ3 LYS A 12 5.111 -1.732 -17.291 1.00 14.05 H new ATOM 197 N ALA A 13 2.795 -5.979 -14.784 1.00 12.25 N ATOM 198 CA ALA A 13 1.670 -6.658 -15.413 1.00 54.01 C ATOM 199 C ALA A 13 0.574 -7.004 -14.398 1.00 22.40 C ATOM 200 O ALA A 13 -0.598 -7.091 -14.759 1.00 71.44 O ATOM 201 CB ALA A 13 2.165 -7.910 -16.140 1.00 12.22 C ATOM 0 H ALA A 13 3.656 -6.525 -14.750 1.00 12.25 H new ATOM 0 HA ALA A 13 1.223 -5.979 -16.139 1.00 54.01 H new ATOM 0 HB1 ALA A 13 1.321 -8.416 -16.609 1.00 12.22 H new ATOM 0 HB2 ALA A 13 2.888 -7.625 -16.904 1.00 12.22 H new ATOM 0 HB3 ALA A 13 2.639 -8.583 -15.425 1.00 12.22 H new ATOM 207 N SER A 14 0.938 -7.209 -13.132 1.00 12.34 N ATOM 208 CA SER A 14 0.052 -7.656 -12.054 1.00 23.34 C ATOM 209 C SER A 14 -0.006 -6.650 -10.892 1.00 15.12 C ATOM 210 O SER A 14 -0.808 -6.794 -9.976 1.00 54.13 O ATOM 211 CB SER A 14 0.565 -9.018 -11.587 1.00 11.04 C ATOM 212 OG SER A 14 0.522 -9.961 -12.653 1.00 33.53 O ATOM 0 H SER A 14 1.897 -7.063 -12.816 1.00 12.34 H new ATOM 0 HA SER A 14 -0.971 -7.733 -12.423 1.00 23.34 H new ATOM 0 HB2 SER A 14 1.587 -8.922 -11.220 1.00 11.04 H new ATOM 0 HB3 SER A 14 -0.040 -9.375 -10.754 1.00 11.04 H new ATOM 0 HG SER A 14 0.855 -10.827 -12.337 1.00 33.53 H new ATOM 218 N LYS A 15 0.801 -5.592 -10.965 1.00 20.22 N ATOM 219 CA LYS A 15 1.019 -4.526 -10.000 1.00 22.40 C ATOM 220 C LYS A 15 1.179 -5.090 -8.591 1.00 71.31 C ATOM 221 O LYS A 15 0.337 -4.892 -7.715 1.00 63.24 O ATOM 222 CB LYS A 15 -0.027 -3.416 -10.168 1.00 52.11 C ATOM 223 CG LYS A 15 -0.181 -2.985 -11.633 1.00 54.04 C ATOM 224 CD LYS A 15 -1.377 -3.683 -12.297 1.00 62.31 C ATOM 225 CE LYS A 15 -1.822 -2.904 -13.523 1.00 20.33 C ATOM 226 NZ LYS A 15 -3.097 -3.420 -14.061 1.00 31.31 N ATOM 0 H LYS A 15 1.378 -5.450 -11.794 1.00 20.22 H new ATOM 0 HA LYS A 15 1.970 -4.030 -10.197 1.00 22.40 H new ATOM 0 HB2 LYS A 15 -0.988 -3.764 -9.790 1.00 52.11 H new ATOM 0 HB3 LYS A 15 0.259 -2.554 -9.565 1.00 52.11 H new ATOM 0 HG2 LYS A 15 -0.313 -1.904 -11.684 1.00 54.04 H new ATOM 0 HG3 LYS A 15 0.731 -3.221 -12.182 1.00 54.04 H new ATOM 0 HD2 LYS A 15 -1.103 -4.699 -12.582 1.00 62.31 H new ATOM 0 HD3 LYS A 15 -2.201 -3.762 -11.588 1.00 62.31 H new ATOM 0 HE2 LYS A 15 -1.935 -1.851 -13.265 1.00 20.33 H new ATOM 0 HE3 LYS A 15 -1.052 -2.963 -14.292 1.00 20.33 H new ATOM 0 HZ1 LYS A 15 -3.371 -2.865 -14.897 1.00 31.31 H new ATOM 0 HZ2 LYS A 15 -2.982 -4.418 -14.330 1.00 31.31 H new ATOM 0 HZ3 LYS A 15 -3.838 -3.341 -13.335 1.00 31.31 H new ATOM 240 N THR A 16 2.307 -5.763 -8.383 1.00 12.54 N ATOM 241 CA THR A 16 2.653 -6.453 -7.151 1.00 54.43 C ATOM 242 C THR A 16 4.040 -5.979 -6.727 1.00 55.01 C ATOM 243 O THR A 16 4.983 -6.072 -7.500 1.00 21.43 O ATOM 244 CB THR A 16 2.638 -7.969 -7.395 1.00 1.42 C ATOM 245 OG1 THR A 16 1.523 -8.361 -8.172 1.00 14.43 O ATOM 246 CG2 THR A 16 2.672 -8.739 -6.082 1.00 40.25 C ATOM 0 H THR A 16 3.031 -5.844 -9.097 1.00 12.54 H new ATOM 0 HA THR A 16 1.935 -6.234 -6.360 1.00 54.43 H new ATOM 0 HB THR A 16 3.539 -8.213 -7.958 1.00 1.42 H new ATOM 0 HG1 THR A 16 1.545 -9.331 -8.310 1.00 14.43 H new ATOM 0 HG21 THR A 16 2.660 -9.809 -6.288 1.00 40.25 H new ATOM 0 HG22 THR A 16 3.579 -8.484 -5.534 1.00 40.25 H new ATOM 0 HG23 THR A 16 1.801 -8.475 -5.483 1.00 40.25 H new ATOM 254 N LEU A 17 4.187 -5.384 -5.552 1.00 23.23 N ATOM 255 CA LEU A 17 5.480 -5.161 -4.928 1.00 42.24 C ATOM 256 C LEU A 17 6.008 -6.482 -4.357 1.00 55.45 C ATOM 257 O LEU A 17 5.408 -6.986 -3.413 1.00 42.41 O ATOM 258 CB LEU A 17 5.300 -4.140 -3.800 1.00 40.11 C ATOM 259 CG LEU A 17 6.564 -3.962 -2.942 1.00 40.45 C ATOM 260 CD1 LEU A 17 7.739 -3.512 -3.811 1.00 14.25 C ATOM 261 CD2 LEU A 17 6.318 -2.931 -1.838 1.00 43.03 C ATOM 0 H LEU A 17 3.402 -5.039 -5.000 1.00 23.23 H new ATOM 0 HA LEU A 17 6.195 -4.785 -5.660 1.00 42.24 H new ATOM 0 HB2 LEU A 17 5.021 -3.178 -4.230 1.00 40.11 H new ATOM 0 HB3 LEU A 17 4.475 -4.455 -3.161 1.00 40.11 H new ATOM 0 HG LEU A 17 6.805 -4.922 -2.486 1.00 40.45 H new ATOM 0 HD11 LEU A 17 8.626 -3.390 -3.189 1.00 14.25 H new ATOM 0 HD12 LEU A 17 7.933 -4.262 -4.577 1.00 14.25 H new ATOM 0 HD13 LEU A 17 7.497 -2.562 -4.287 1.00 14.25 H new ATOM 0 HD21 LEU A 17 7.222 -2.816 -1.239 1.00 43.03 H new ATOM 0 HD22 LEU A 17 6.056 -1.973 -2.287 1.00 43.03 H new ATOM 0 HD23 LEU A 17 5.501 -3.269 -1.200 1.00 43.03 H new ATOM 273 N THR A 18 7.135 -7.002 -4.843 1.00 35.33 N ATOM 274 CA THR A 18 7.836 -8.097 -4.167 1.00 43.11 C ATOM 275 C THR A 18 8.976 -7.490 -3.345 1.00 34.42 C ATOM 276 O THR A 18 9.655 -6.570 -3.814 1.00 73.43 O ATOM 277 CB THR A 18 8.312 -9.137 -5.192 1.00 55.15 C ATOM 278 OG1 THR A 18 7.200 -9.785 -5.772 1.00 74.35 O ATOM 279 CG2 THR A 18 9.245 -10.220 -4.647 1.00 0.04 C ATOM 0 H THR A 18 7.583 -6.684 -5.702 1.00 35.33 H new ATOM 0 HA THR A 18 7.174 -8.633 -3.487 1.00 43.11 H new ATOM 0 HB THR A 18 8.888 -8.559 -5.915 1.00 55.15 H new ATOM 0 HG1 THR A 18 7.382 -9.963 -6.718 1.00 74.35 H new ATOM 0 HG21 THR A 18 9.521 -10.901 -5.452 1.00 0.04 H new ATOM 0 HG22 THR A 18 10.144 -9.755 -4.241 1.00 0.04 H new ATOM 0 HG23 THR A 18 8.736 -10.776 -3.859 1.00 0.04 H new ATOM 287 N LEU A 19 9.179 -8.013 -2.132 1.00 72.12 N ATOM 288 CA LEU A 19 10.230 -7.653 -1.184 1.00 40.34 C ATOM 289 C LEU A 19 10.682 -8.925 -0.455 1.00 4.03 C ATOM 290 O LEU A 19 9.979 -9.936 -0.483 1.00 40.35 O ATOM 291 CB LEU A 19 9.679 -6.655 -0.145 1.00 60.13 C ATOM 292 CG LEU A 19 9.500 -5.193 -0.584 1.00 34.35 C ATOM 293 CD1 LEU A 19 8.879 -4.416 0.588 1.00 1.13 C ATOM 294 CD2 LEU A 19 10.830 -4.534 -0.963 1.00 40.13 C ATOM 0 H LEU A 19 8.572 -8.747 -1.765 1.00 72.12 H new ATOM 0 HA LEU A 19 11.064 -7.196 -1.717 1.00 40.34 H new ATOM 0 HB2 LEU A 19 8.711 -7.024 0.194 1.00 60.13 H new ATOM 0 HB3 LEU A 19 10.345 -6.667 0.718 1.00 60.13 H new ATOM 0 HG LEU A 19 8.860 -5.176 -1.466 1.00 34.35 H new ATOM 0 HD11 LEU A 19 8.742 -3.373 0.301 1.00 1.13 H new ATOM 0 HD12 LEU A 19 7.913 -4.853 0.843 1.00 1.13 H new ATOM 0 HD13 LEU A 19 9.541 -4.470 1.452 1.00 1.13 H new ATOM 0 HD21 LEU A 19 10.652 -3.502 -1.266 1.00 40.13 H new ATOM 0 HD22 LEU A 19 11.501 -4.549 -0.104 1.00 40.13 H new ATOM 0 HD23 LEU A 19 11.285 -5.081 -1.789 1.00 40.13 H new ATOM 306 N ARG A 20 11.815 -8.878 0.262 1.00 54.45 N ATOM 307 CA ARG A 20 12.304 -10.003 1.063 1.00 11.42 C ATOM 308 C ARG A 20 12.707 -9.584 2.480 1.00 31.31 C ATOM 309 O ARG A 20 13.801 -9.041 2.659 1.00 73.53 O ATOM 310 CB ARG A 20 13.439 -10.668 0.291 1.00 64.51 C ATOM 311 CG ARG A 20 13.893 -11.973 0.955 1.00 40.35 C ATOM 312 CD ARG A 20 14.997 -12.599 0.109 1.00 1.42 C ATOM 313 NE ARG A 20 16.198 -11.750 0.062 1.00 54.44 N ATOM 314 CZ ARG A 20 17.047 -11.660 -0.968 1.00 12.41 C ATOM 315 NH1 ARG A 20 16.967 -12.489 -2.003 1.00 24.32 N ATOM 316 NH2 ARG A 20 17.978 -10.713 -0.963 1.00 22.31 N ATOM 0 H ARG A 20 12.417 -8.055 0.301 1.00 54.45 H new ATOM 0 HA ARG A 20 11.501 -10.725 1.215 1.00 11.42 H new ATOM 0 HB2 ARG A 20 13.113 -10.874 -0.729 1.00 64.51 H new ATOM 0 HB3 ARG A 20 14.283 -9.982 0.224 1.00 64.51 H new ATOM 0 HG2 ARG A 20 14.257 -11.776 1.964 1.00 40.35 H new ATOM 0 HG3 ARG A 20 13.053 -12.661 1.048 1.00 40.35 H new ATOM 0 HD2 ARG A 20 15.258 -13.575 0.517 1.00 1.42 H new ATOM 0 HD3 ARG A 20 14.629 -12.765 -0.904 1.00 1.42 H new ATOM 0 HE ARG A 20 16.400 -11.182 0.885 1.00 54.44 H new ATOM 0 HH11 ARG A 20 16.248 -13.212 -2.023 1.00 24.32 H new ATOM 0 HH12 ARG A 20 17.625 -12.402 -2.778 1.00 24.32 H new ATOM 0 HH21 ARG A 20 18.041 -10.063 -0.179 1.00 22.31 H new ATOM 0 HH22 ARG A 20 18.631 -10.635 -1.743 1.00 22.31 H new ATOM 330 N TYR A 21 11.811 -9.735 3.459 1.00 41.33 N ATOM 331 CA TYR A 21 12.037 -9.388 4.854 1.00 61.21 C ATOM 332 C TYR A 21 13.046 -10.375 5.423 1.00 2.03 C ATOM 333 O TYR A 21 12.688 -11.498 5.772 1.00 23.20 O ATOM 334 CB TYR A 21 10.718 -9.419 5.646 1.00 4.30 C ATOM 335 CG TYR A 21 10.806 -8.798 7.034 1.00 72.43 C ATOM 336 CD1 TYR A 21 11.547 -9.423 8.057 1.00 71.22 C ATOM 337 CD2 TYR A 21 10.130 -7.596 7.314 1.00 1.24 C ATOM 338 CE1 TYR A 21 11.628 -8.850 9.335 1.00 31.43 C ATOM 339 CE2 TYR A 21 10.182 -7.028 8.601 1.00 44.41 C ATOM 340 CZ TYR A 21 10.920 -7.666 9.621 1.00 1.41 C ATOM 341 OH TYR A 21 10.913 -7.171 10.888 1.00 3.24 O ATOM 0 H TYR A 21 10.879 -10.115 3.291 1.00 41.33 H new ATOM 0 HA TYR A 21 12.428 -8.373 4.932 1.00 61.21 H new ATOM 0 HB2 TYR A 21 9.952 -8.895 5.074 1.00 4.30 H new ATOM 0 HB3 TYR A 21 10.391 -10.454 5.744 1.00 4.30 H new ATOM 0 HD1 TYR A 21 12.058 -10.353 7.855 1.00 71.22 H new ATOM 0 HD2 TYR A 21 9.566 -7.105 6.535 1.00 1.24 H new ATOM 0 HE1 TYR A 21 12.233 -9.316 10.099 1.00 31.43 H new ATOM 0 HE2 TYR A 21 9.658 -6.106 8.807 1.00 44.41 H new ATOM 0 HH TYR A 21 10.380 -6.349 10.915 1.00 3.24 H new ATOM 351 N GLY A 22 14.309 -9.966 5.523 1.00 2.02 N ATOM 352 CA GLY A 22 15.346 -10.860 5.993 1.00 22.33 C ATOM 353 C GLY A 22 15.503 -11.966 4.966 1.00 43.13 C ATOM 354 O GLY A 22 16.006 -11.708 3.868 1.00 1.03 O ATOM 0 H GLY A 22 14.630 -9.027 5.285 1.00 2.02 H new ATOM 0 HA2 GLY A 22 16.285 -10.322 6.122 1.00 22.33 H new ATOM 0 HA3 GLY A 22 15.081 -11.276 6.965 1.00 22.33 H new ATOM 358 N GLU A 23 15.055 -13.169 5.298 1.00 20.35 N ATOM 359 CA GLU A 23 15.070 -14.298 4.394 1.00 40.25 C ATOM 360 C GLU A 23 13.797 -14.359 3.554 1.00 11.24 C ATOM 361 O GLU A 23 13.822 -14.877 2.438 1.00 55.23 O ATOM 362 CB GLU A 23 15.176 -15.571 5.242 1.00 2.31 C ATOM 363 CG GLU A 23 16.497 -15.628 6.023 1.00 64.23 C ATOM 364 CD GLU A 23 17.718 -15.895 5.143 1.00 25.11 C ATOM 365 OE1 GLU A 23 17.592 -16.017 3.898 1.00 21.44 O ATOM 366 OE2 GLU A 23 18.849 -15.890 5.675 1.00 21.53 O ATOM 0 H GLU A 23 14.667 -13.385 6.216 1.00 20.35 H new ATOM 0 HA GLU A 23 15.914 -14.200 3.711 1.00 40.25 H new ATOM 0 HB2 GLU A 23 14.339 -15.614 5.939 1.00 2.31 H new ATOM 0 HB3 GLU A 23 15.098 -16.446 4.596 1.00 2.31 H new ATOM 0 HG2 GLU A 23 16.639 -14.684 6.550 1.00 64.23 H new ATOM 0 HG3 GLU A 23 16.428 -16.409 6.781 1.00 64.23 H new ATOM 373 N ASP A 24 12.687 -13.860 4.093 1.00 2.33 N ATOM 374 CA ASP A 24 11.352 -14.324 3.739 1.00 63.23 C ATOM 375 C ASP A 24 10.767 -13.415 2.673 1.00 22.11 C ATOM 376 O ASP A 24 10.764 -12.193 2.829 1.00 65.32 O ATOM 377 CB ASP A 24 10.459 -14.335 4.981 1.00 74.55 C ATOM 378 CG ASP A 24 10.825 -15.443 5.961 1.00 11.33 C ATOM 379 OD1 ASP A 24 11.017 -16.602 5.525 1.00 43.13 O ATOM 380 OD2 ASP A 24 10.921 -15.184 7.183 1.00 31.20 O ATOM 0 H ASP A 24 12.691 -13.117 4.792 1.00 2.33 H new ATOM 0 HA ASP A 24 11.411 -15.339 3.346 1.00 63.23 H new ATOM 0 HB2 ASP A 24 10.533 -13.371 5.485 1.00 74.55 H new ATOM 0 HB3 ASP A 24 9.420 -14.455 4.675 1.00 74.55 H new ATOM 385 N SER A 25 10.318 -13.993 1.562 1.00 43.32 N ATOM 386 CA SER A 25 9.963 -13.250 0.359 1.00 25.34 C ATOM 387 C SER A 25 8.448 -13.176 0.177 1.00 45.03 C ATOM 388 O SER A 25 7.787 -14.206 0.026 1.00 1.03 O ATOM 389 CB SER A 25 10.703 -13.795 -0.866 1.00 22.10 C ATOM 390 OG SER A 25 11.212 -15.116 -0.719 1.00 63.34 O ATOM 0 H SER A 25 10.190 -15.001 1.472 1.00 43.32 H new ATOM 0 HA SER A 25 10.297 -12.219 0.477 1.00 25.34 H new ATOM 0 HB2 SER A 25 10.026 -13.775 -1.720 1.00 22.10 H new ATOM 0 HB3 SER A 25 11.531 -13.126 -1.100 1.00 22.10 H new ATOM 0 HG SER A 25 11.666 -15.385 -1.545 1.00 63.34 H new ATOM 396 N TYR A 26 7.928 -11.950 0.201 1.00 64.23 N ATOM 397 CA TYR A 26 6.525 -11.576 0.184 1.00 14.41 C ATOM 398 C TYR A 26 6.229 -10.778 -1.083 1.00 44.33 C ATOM 399 O TYR A 26 7.122 -10.100 -1.600 1.00 20.10 O ATOM 400 CB TYR A 26 6.290 -10.694 1.422 1.00 41.31 C ATOM 401 CG TYR A 26 6.726 -11.303 2.745 1.00 12.35 C ATOM 402 CD1 TYR A 26 6.585 -12.681 2.990 1.00 32.50 C ATOM 403 CD2 TYR A 26 7.291 -10.480 3.736 1.00 54.05 C ATOM 404 CE1 TYR A 26 6.951 -13.223 4.231 1.00 24.22 C ATOM 405 CE2 TYR A 26 7.636 -11.007 4.991 1.00 23.24 C ATOM 406 CZ TYR A 26 7.451 -12.383 5.248 1.00 74.21 C ATOM 407 OH TYR A 26 7.757 -12.908 6.462 1.00 63.45 O ATOM 0 H TYR A 26 8.532 -11.129 0.236 1.00 64.23 H new ATOM 0 HA TYR A 26 5.877 -12.453 0.198 1.00 14.41 H new ATOM 0 HB2 TYR A 26 6.820 -9.752 1.282 1.00 41.31 H new ATOM 0 HB3 TYR A 26 5.228 -10.457 1.482 1.00 41.31 H new ATOM 0 HD1 TYR A 26 6.192 -13.326 2.218 1.00 32.50 H new ATOM 0 HD2 TYR A 26 7.461 -9.434 3.530 1.00 54.05 H new ATOM 0 HE1 TYR A 26 6.850 -14.284 4.408 1.00 24.22 H new ATOM 0 HE2 TYR A 26 8.041 -10.362 5.757 1.00 23.24 H new ATOM 0 HH TYR A 26 8.090 -12.199 7.051 1.00 63.45 H new ATOM 417 N ASP A 27 4.979 -10.802 -1.552 1.00 4.51 N ATOM 418 CA ASP A 27 4.554 -10.120 -2.771 1.00 0.05 C ATOM 419 C ASP A 27 3.168 -9.498 -2.592 1.00 73.12 C ATOM 420 O ASP A 27 2.133 -10.160 -2.650 1.00 40.32 O ATOM 421 CB ASP A 27 4.717 -11.014 -4.012 1.00 1.51 C ATOM 422 CG ASP A 27 3.733 -12.173 -4.147 1.00 13.42 C ATOM 423 OD1 ASP A 27 3.595 -12.953 -3.178 1.00 44.43 O ATOM 424 OD2 ASP A 27 3.257 -12.409 -5.287 1.00 34.41 O ATOM 0 H ASP A 27 4.224 -11.305 -1.086 1.00 4.51 H new ATOM 0 HA ASP A 27 5.221 -9.279 -2.961 1.00 0.05 H new ATOM 0 HB2 ASP A 27 4.630 -10.387 -4.899 1.00 1.51 H new ATOM 0 HB3 ASP A 27 5.728 -11.422 -4.009 1.00 1.51 H new ATOM 429 N LEU A 28 3.185 -8.203 -2.276 1.00 31.35 N ATOM 430 CA LEU A 28 2.081 -7.356 -1.857 1.00 24.42 C ATOM 431 C LEU A 28 1.454 -6.640 -3.058 1.00 32.13 C ATOM 432 O LEU A 28 2.181 -6.249 -3.965 1.00 41.01 O ATOM 433 CB LEU A 28 2.637 -6.281 -0.910 1.00 53.41 C ATOM 434 CG LEU A 28 3.202 -6.844 0.408 1.00 13.30 C ATOM 435 CD1 LEU A 28 4.691 -7.229 0.350 1.00 12.52 C ATOM 436 CD2 LEU A 28 3.021 -5.789 1.502 1.00 35.30 C ATOM 0 H LEU A 28 4.058 -7.676 -2.312 1.00 31.35 H new ATOM 0 HA LEU A 28 1.325 -7.975 -1.374 1.00 24.42 H new ATOM 0 HB2 LEU A 28 3.423 -5.728 -1.425 1.00 53.41 H new ATOM 0 HB3 LEU A 28 1.845 -5.568 -0.680 1.00 53.41 H new ATOM 0 HG LEU A 28 2.651 -7.762 0.612 1.00 13.30 H new ATOM 0 HD11 LEU A 28 5.005 -7.616 1.320 1.00 12.52 H new ATOM 0 HD12 LEU A 28 4.839 -7.995 -0.411 1.00 12.52 H new ATOM 0 HD13 LEU A 28 5.285 -6.350 0.101 1.00 12.52 H new ATOM 0 HD21 LEU A 28 3.416 -6.170 2.444 1.00 35.30 H new ATOM 0 HD22 LEU A 28 3.557 -4.881 1.225 1.00 35.30 H new ATOM 0 HD23 LEU A 28 1.961 -5.563 1.618 1.00 35.30 H new ATOM 448 N PRO A 29 0.142 -6.376 -3.084 1.00 72.13 N ATOM 449 CA PRO A 29 -0.498 -5.715 -4.218 1.00 72.51 C ATOM 450 C PRO A 29 -0.362 -4.191 -4.170 1.00 53.04 C ATOM 451 O PRO A 29 -0.234 -3.588 -3.099 1.00 21.40 O ATOM 452 CB PRO A 29 -1.967 -6.083 -4.102 1.00 22.20 C ATOM 453 CG PRO A 29 -2.172 -6.274 -2.609 1.00 34.12 C ATOM 454 CD PRO A 29 -0.829 -6.742 -2.073 1.00 73.34 C ATOM 0 HA PRO A 29 -0.033 -6.032 -5.152 1.00 72.51 H new ATOM 0 HB2 PRO A 29 -2.610 -5.296 -4.497 1.00 22.20 H new ATOM 0 HB3 PRO A 29 -2.197 -6.992 -4.658 1.00 22.20 H new ATOM 0 HG2 PRO A 29 -2.482 -5.344 -2.133 1.00 34.12 H new ATOM 0 HG3 PRO A 29 -2.952 -7.009 -2.411 1.00 34.12 H new ATOM 0 HD2 PRO A 29 -0.600 -6.267 -1.119 1.00 73.34 H new ATOM 0 HD3 PRO A 29 -0.829 -7.818 -1.901 1.00 73.34 H new ATOM 462 N ALA A 30 -0.492 -3.544 -5.332 1.00 0.45 N ATOM 463 CA ALA A 30 -0.462 -2.094 -5.435 1.00 41.53 C ATOM 464 C ALA A 30 -1.635 -1.445 -4.686 1.00 5.32 C ATOM 465 O ALA A 30 -1.412 -0.470 -3.966 1.00 73.52 O ATOM 466 CB ALA A 30 -0.422 -1.652 -6.906 1.00 0.24 C ATOM 0 H ALA A 30 -0.621 -4.018 -6.226 1.00 0.45 H new ATOM 0 HA ALA A 30 0.453 -1.748 -4.954 1.00 41.53 H new ATOM 0 HB1 ALA A 30 -0.400 -0.563 -6.958 1.00 0.24 H new ATOM 0 HB2 ALA A 30 0.471 -2.056 -7.383 1.00 0.24 H new ATOM 0 HB3 ALA A 30 -1.308 -2.022 -7.421 1.00 0.24 H new ATOM 472 N GLU A 31 -2.876 -1.936 -4.802 1.00 1.32 N ATOM 473 CA GLU A 31 -3.999 -1.232 -4.177 1.00 44.23 C ATOM 474 C GLU A 31 -3.899 -1.208 -2.656 1.00 34.40 C ATOM 475 O GLU A 31 -4.374 -0.238 -2.061 1.00 42.11 O ATOM 476 CB GLU A 31 -5.383 -1.724 -4.628 1.00 51.13 C ATOM 477 CG GLU A 31 -5.823 -3.045 -3.980 1.00 14.11 C ATOM 478 CD GLU A 31 -5.084 -4.269 -4.509 1.00 2.00 C ATOM 479 OE1 GLU A 31 -4.437 -4.175 -5.576 1.00 0.02 O ATOM 480 OE2 GLU A 31 -5.104 -5.293 -3.790 1.00 21.31 O ATOM 0 H GLU A 31 -3.122 -2.789 -5.305 1.00 1.32 H new ATOM 0 HA GLU A 31 -3.909 -0.208 -4.539 1.00 44.23 H new ATOM 0 HB2 GLU A 31 -6.122 -0.956 -4.399 1.00 51.13 H new ATOM 0 HB3 GLU A 31 -5.377 -1.848 -5.711 1.00 51.13 H new ATOM 0 HG2 GLU A 31 -5.671 -2.978 -2.903 1.00 14.11 H new ATOM 0 HG3 GLU A 31 -6.892 -3.180 -4.143 1.00 14.11 H new ATOM 487 N PHE A 32 -3.281 -2.221 -2.027 1.00 35.42 N ATOM 488 CA PHE A 32 -2.983 -2.148 -0.599 1.00 4.41 C ATOM 489 C PHE A 32 -2.057 -0.957 -0.331 1.00 4.41 C ATOM 490 O PHE A 32 -2.343 -0.092 0.498 1.00 0.30 O ATOM 491 CB PHE A 32 -2.346 -3.464 -0.134 1.00 74.41 C ATOM 492 CG PHE A 32 -1.664 -3.380 1.211 1.00 4.13 C ATOM 493 CD1 PHE A 32 -2.423 -3.189 2.378 1.00 24.12 C ATOM 494 CD2 PHE A 32 -0.260 -3.443 1.287 1.00 23.24 C ATOM 495 CE1 PHE A 32 -1.775 -3.046 3.614 1.00 51.05 C ATOM 496 CE2 PHE A 32 0.386 -3.290 2.524 1.00 14.40 C ATOM 497 CZ PHE A 32 -0.373 -3.084 3.686 1.00 75.55 C ATOM 0 H PHE A 32 -2.984 -3.085 -2.481 1.00 35.42 H new ATOM 0 HA PHE A 32 -3.904 -2.001 -0.035 1.00 4.41 H new ATOM 0 HB2 PHE A 32 -3.118 -4.233 -0.090 1.00 74.41 H new ATOM 0 HB3 PHE A 32 -1.618 -3.785 -0.879 1.00 74.41 H new ATOM 0 HD1 PHE A 32 -3.501 -3.152 2.324 1.00 24.12 H new ATOM 0 HD2 PHE A 32 0.321 -3.609 0.392 1.00 23.24 H new ATOM 0 HE1 PHE A 32 -2.356 -2.906 4.513 1.00 51.05 H new ATOM 0 HE2 PHE A 32 1.464 -3.331 2.581 1.00 14.40 H new ATOM 0 HZ PHE A 32 0.122 -2.954 4.637 1.00 75.55 H new ATOM 507 N LEU A 33 -0.941 -0.895 -1.056 1.00 54.23 N ATOM 508 CA LEU A 33 0.108 0.086 -0.817 1.00 21.54 C ATOM 509 C LEU A 33 -0.344 1.513 -1.113 1.00 12.02 C ATOM 510 O LEU A 33 0.209 2.443 -0.526 1.00 22.22 O ATOM 511 CB LEU A 33 1.346 -0.255 -1.652 1.00 31.24 C ATOM 512 CG LEU A 33 1.961 -1.624 -1.330 1.00 4.10 C ATOM 513 CD1 LEU A 33 3.008 -1.950 -2.389 1.00 11.45 C ATOM 514 CD2 LEU A 33 2.607 -1.675 0.061 1.00 74.54 C ATOM 0 H LEU A 33 -0.741 -1.529 -1.829 1.00 54.23 H new ATOM 0 HA LEU A 33 0.353 0.040 0.244 1.00 21.54 H new ATOM 0 HB2 LEU A 33 1.077 -0.229 -2.708 1.00 31.24 H new ATOM 0 HB3 LEU A 33 2.100 0.516 -1.496 1.00 31.24 H new ATOM 0 HG LEU A 33 1.156 -2.358 -1.332 1.00 4.10 H new ATOM 0 HD11 LEU A 33 3.454 -2.921 -2.173 1.00 11.45 H new ATOM 0 HD12 LEU A 33 2.536 -1.978 -3.371 1.00 11.45 H new ATOM 0 HD13 LEU A 33 3.784 -1.185 -2.381 1.00 11.45 H new ATOM 0 HD21 LEU A 33 3.025 -2.667 0.232 1.00 74.54 H new ATOM 0 HD22 LEU A 33 3.402 -0.932 0.120 1.00 74.54 H new ATOM 0 HD23 LEU A 33 1.854 -1.462 0.820 1.00 74.54 H new ATOM 526 N ARG A 34 -1.317 1.733 -2.006 1.00 55.05 N ATOM 527 CA ARG A 34 -1.843 3.083 -2.225 1.00 60.42 C ATOM 528 C ARG A 34 -2.607 3.570 -1.004 1.00 15.00 C ATOM 529 O ARG A 34 -2.450 4.721 -0.606 1.00 41.01 O ATOM 530 CB ARG A 34 -2.700 3.171 -3.502 1.00 32.53 C ATOM 531 CG ARG A 34 -3.313 4.569 -3.730 1.00 22.10 C ATOM 532 CD ARG A 34 -2.271 5.710 -3.815 1.00 31.41 C ATOM 533 NE ARG A 34 -2.919 7.027 -3.744 1.00 20.15 N ATOM 534 CZ ARG A 34 -2.505 8.104 -3.061 1.00 20.43 C ATOM 535 NH1 ARG A 34 -1.275 8.222 -2.564 1.00 71.13 N ATOM 536 NH2 ARG A 34 -3.377 9.081 -2.881 1.00 62.11 N ATOM 0 H ARG A 34 -1.748 1.007 -2.578 1.00 55.05 H new ATOM 0 HA ARG A 34 -0.991 3.745 -2.375 1.00 60.42 H new ATOM 0 HB2 ARG A 34 -2.086 2.906 -4.363 1.00 32.53 H new ATOM 0 HB3 ARG A 34 -3.502 2.435 -3.445 1.00 32.53 H new ATOM 0 HG2 ARG A 34 -3.894 4.553 -4.652 1.00 22.10 H new ATOM 0 HG3 ARG A 34 -4.008 4.786 -2.919 1.00 22.10 H new ATOM 0 HD2 ARG A 34 -1.552 5.611 -3.002 1.00 31.41 H new ATOM 0 HD3 ARG A 34 -1.712 5.627 -4.747 1.00 31.41 H new ATOM 0 HE ARG A 34 -3.783 7.134 -4.275 1.00 20.15 H new ATOM 0 HH11 ARG A 34 -0.597 7.471 -2.696 1.00 71.13 H new ATOM 0 HH12 ARG A 34 -1.011 9.063 -2.052 1.00 71.13 H new ATOM 0 HH21 ARG A 34 -4.322 8.997 -3.256 1.00 62.11 H new ATOM 0 HH22 ARG A 34 -3.105 9.919 -2.367 1.00 62.11 H new ATOM 550 N VAL A 35 -3.480 2.742 -0.439 1.00 34.23 N ATOM 551 CA VAL A 35 -4.325 3.181 0.667 1.00 62.32 C ATOM 552 C VAL A 35 -3.490 3.248 1.949 1.00 71.11 C ATOM 553 O VAL A 35 -3.616 4.221 2.688 1.00 23.15 O ATOM 554 CB VAL A 35 -5.620 2.353 0.718 1.00 33.42 C ATOM 555 CG1 VAL A 35 -6.344 2.545 -0.631 1.00 4.31 C ATOM 556 CG2 VAL A 35 -5.424 0.855 0.990 1.00 63.51 C ATOM 0 H VAL A 35 -3.621 1.773 -0.725 1.00 34.23 H new ATOM 0 HA VAL A 35 -4.686 4.199 0.523 1.00 62.32 H new ATOM 0 HB VAL A 35 -6.201 2.716 1.566 1.00 33.42 H new ATOM 0 HG11 VAL A 35 -7.270 1.970 -0.632 1.00 4.31 H new ATOM 0 HG12 VAL A 35 -6.572 3.601 -0.774 1.00 4.31 H new ATOM 0 HG13 VAL A 35 -5.702 2.199 -1.441 1.00 4.31 H new ATOM 0 HG21 VAL A 35 -6.394 0.358 1.007 1.00 63.51 H new ATOM 0 HG22 VAL A 35 -4.807 0.420 0.203 1.00 63.51 H new ATOM 0 HG23 VAL A 35 -4.931 0.721 1.953 1.00 63.51 H new ATOM 566 N HIS A 36 -2.545 2.322 2.164 1.00 4.03 N ATOM 567 CA HIS A 36 -1.595 2.347 3.283 1.00 51.45 C ATOM 568 C HIS A 36 -0.402 3.291 3.002 1.00 51.45 C ATOM 569 O HIS A 36 0.746 2.953 3.308 1.00 31.15 O ATOM 570 CB HIS A 36 -1.172 0.904 3.650 1.00 31.11 C ATOM 571 CG HIS A 36 -1.231 0.632 5.138 1.00 33.33 C ATOM 572 ND1 HIS A 36 -0.519 1.262 6.139 1.00 51.53 N ATOM 573 CD2 HIS A 36 -2.074 -0.257 5.748 1.00 20.25 C ATOM 574 CE1 HIS A 36 -0.938 0.768 7.318 1.00 31.43 C ATOM 575 NE2 HIS A 36 -1.895 -0.153 7.123 1.00 11.05 N ATOM 0 H HIS A 36 -2.418 1.517 1.550 1.00 4.03 H new ATOM 0 HA HIS A 36 -2.088 2.768 4.160 1.00 51.45 H new ATOM 0 HB2 HIS A 36 -1.820 0.198 3.131 1.00 31.11 H new ATOM 0 HB3 HIS A 36 -0.157 0.727 3.294 1.00 31.11 H new ATOM 0 HD1 HIS A 36 0.198 1.976 6.008 1.00 51.53 H new ATOM 0 HD2 HIS A 36 -2.760 -0.924 5.248 1.00 20.25 H new ATOM 0 HE1 HIS A 36 -0.559 1.069 8.283 1.00 31.43 H new ATOM 583 N SER A 37 -0.653 4.467 2.406 1.00 42.11 N ATOM 584 CA SER A 37 0.350 5.466 2.040 1.00 42.51 C ATOM 585 C SER A 37 0.284 6.684 2.971 1.00 41.53 C ATOM 586 O SER A 37 -0.412 7.649 2.650 1.00 52.34 O ATOM 587 CB SER A 37 0.223 5.870 0.574 1.00 72.12 C ATOM 588 OG SER A 37 1.348 6.646 0.191 1.00 1.53 O ATOM 0 H SER A 37 -1.600 4.755 2.158 1.00 42.11 H new ATOM 0 HA SER A 37 1.333 5.012 2.165 1.00 42.51 H new ATOM 0 HB2 SER A 37 0.152 4.981 -0.053 1.00 72.12 H new ATOM 0 HB3 SER A 37 -0.693 6.441 0.422 1.00 72.12 H new ATOM 0 HG SER A 37 2.142 6.073 0.151 1.00 1.53 H new ATOM 594 N PRO A 38 0.961 6.663 4.131 1.00 14.42 N ATOM 595 CA PRO A 38 1.146 7.818 4.992 1.00 34.32 C ATOM 596 C PRO A 38 2.077 8.803 4.283 1.00 12.13 C ATOM 597 O PRO A 38 3.301 8.636 4.301 1.00 2.01 O ATOM 598 CB PRO A 38 1.731 7.271 6.300 1.00 53.01 C ATOM 599 CG PRO A 38 2.440 5.993 5.899 1.00 62.15 C ATOM 600 CD PRO A 38 1.752 5.553 4.610 1.00 35.23 C ATOM 0 HA PRO A 38 0.226 8.360 5.209 1.00 34.32 H new ATOM 0 HB2 PRO A 38 2.422 7.982 6.753 1.00 53.01 H new ATOM 0 HB3 PRO A 38 0.948 7.076 7.033 1.00 53.01 H new ATOM 0 HG2 PRO A 38 3.505 6.164 5.740 1.00 62.15 H new ATOM 0 HG3 PRO A 38 2.352 5.232 6.674 1.00 62.15 H new ATOM 0 HD2 PRO A 38 2.490 5.260 3.864 1.00 35.23 H new ATOM 0 HD3 PRO A 38 1.120 4.684 4.792 1.00 35.23 H new ATOM 608 N SER A 39 1.503 9.811 3.625 1.00 13.04 N ATOM 609 CA SER A 39 2.249 10.892 3.017 1.00 74.25 C ATOM 610 C SER A 39 3.057 11.593 4.108 1.00 15.10 C ATOM 611 O SER A 39 2.654 11.630 5.274 1.00 41.44 O ATOM 612 CB SER A 39 1.280 11.844 2.312 1.00 65.23 C ATOM 613 OG SER A 39 0.438 11.121 1.427 1.00 55.54 O ATOM 0 H SER A 39 0.494 9.892 3.503 1.00 13.04 H new ATOM 0 HA SER A 39 2.942 10.518 2.264 1.00 74.25 H new ATOM 0 HB2 SER A 39 0.676 12.372 3.050 1.00 65.23 H new ATOM 0 HB3 SER A 39 1.839 12.599 1.759 1.00 65.23 H new ATOM 0 HG SER A 39 -0.178 11.740 0.983 1.00 55.54 H new ATOM 736 N VAL A 49 -7.880 9.148 7.066 1.00 0.32 N ATOM 737 CA VAL A 49 -9.048 9.234 6.199 1.00 52.32 C ATOM 738 C VAL A 49 -9.073 7.965 5.370 1.00 60.12 C ATOM 739 O VAL A 49 -8.025 7.467 4.944 1.00 32.13 O ATOM 740 CB VAL A 49 -8.985 10.505 5.335 1.00 42.54 C ATOM 741 CG1 VAL A 49 -10.131 10.582 4.319 1.00 14.14 C ATOM 742 CG2 VAL A 49 -9.006 11.761 6.219 1.00 4.51 C ATOM 0 HA VAL A 49 -9.971 9.312 6.773 1.00 52.32 H new ATOM 0 HB VAL A 49 -8.048 10.456 4.780 1.00 42.54 H new ATOM 0 HG11 VAL A 49 -10.039 11.498 3.735 1.00 14.14 H new ATOM 0 HG12 VAL A 49 -10.085 9.721 3.652 1.00 14.14 H new ATOM 0 HG13 VAL A 49 -11.085 10.582 4.846 1.00 14.14 H new ATOM 0 HG21 VAL A 49 -8.961 12.650 5.590 1.00 4.51 H new ATOM 0 HG22 VAL A 49 -9.925 11.778 6.805 1.00 4.51 H new ATOM 0 HG23 VAL A 49 -8.147 11.748 6.890 1.00 4.51 H new ATOM 752 N LEU A 50 -10.269 7.436 5.143 1.00 13.50 N ATOM 753 CA LEU A 50 -10.452 6.232 4.365 1.00 64.21 C ATOM 754 C LEU A 50 -10.242 6.543 2.892 1.00 1.53 C ATOM 755 O LEU A 50 -10.768 7.529 2.366 1.00 55.53 O ATOM 756 CB LEU A 50 -11.858 5.665 4.607 1.00 3.52 C ATOM 757 CG LEU A 50 -12.037 4.257 4.024 1.00 42.14 C ATOM 758 CD1 LEU A 50 -11.034 3.265 4.625 1.00 20.42 C ATOM 759 CD2 LEU A 50 -13.466 3.827 4.340 1.00 31.40 C ATOM 0 H LEU A 50 -11.138 7.836 5.497 1.00 13.50 H new ATOM 0 HA LEU A 50 -9.722 5.483 4.671 1.00 64.21 H new ATOM 0 HB2 LEU A 50 -12.055 5.638 5.679 1.00 3.52 H new ATOM 0 HB3 LEU A 50 -12.596 6.334 4.164 1.00 3.52 H new ATOM 0 HG LEU A 50 -11.855 4.269 2.949 1.00 42.14 H new ATOM 0 HD11 LEU A 50 -11.191 2.279 4.188 1.00 20.42 H new ATOM 0 HD12 LEU A 50 -10.019 3.599 4.411 1.00 20.42 H new ATOM 0 HD13 LEU A 50 -11.178 3.211 5.704 1.00 20.42 H new ATOM 0 HD21 LEU A 50 -13.641 2.827 3.943 1.00 31.40 H new ATOM 0 HD22 LEU A 50 -13.613 3.820 5.420 1.00 31.40 H new ATOM 0 HD23 LEU A 50 -14.166 4.526 3.883 1.00 31.40 H new ATOM 771 N GLN A 51 -9.472 5.700 2.215 1.00 31.14 N ATOM 772 CA GLN A 51 -9.111 5.869 0.827 1.00 24.24 C ATOM 773 C GLN A 51 -9.787 4.740 0.048 1.00 32.32 C ATOM 774 O GLN A 51 -9.457 3.560 0.207 1.00 52.43 O ATOM 775 CB GLN A 51 -7.579 5.936 0.746 1.00 32.13 C ATOM 776 CG GLN A 51 -6.979 7.097 1.581 1.00 55.01 C ATOM 777 CD GLN A 51 -7.263 8.520 1.083 1.00 61.34 C ATOM 778 OE1 GLN A 51 -6.379 9.222 0.595 1.00 20.13 O ATOM 779 NE2 GLN A 51 -8.469 9.034 1.271 1.00 20.11 N ATOM 0 H GLN A 51 -9.074 4.860 2.634 1.00 31.14 H new ATOM 0 HA GLN A 51 -9.460 6.796 0.371 1.00 24.24 H new ATOM 0 HB2 GLN A 51 -7.161 4.992 1.094 1.00 32.13 H new ATOM 0 HB3 GLN A 51 -7.280 6.053 -0.296 1.00 32.13 H new ATOM 0 HG2 GLN A 51 -7.354 7.012 2.601 1.00 55.01 H new ATOM 0 HG3 GLN A 51 -5.898 6.961 1.626 1.00 55.01 H new ATOM 0 HE21 GLN A 51 -9.210 8.461 1.675 1.00 20.11 H new ATOM 0 HE22 GLN A 51 -8.657 10.002 1.012 1.00 20.11 H new ATOM 788 N TYR A 52 -10.816 5.107 -0.715 1.00 31.32 N ATOM 789 CA TYR A 52 -11.730 4.244 -1.457 1.00 63.32 C ATOM 790 C TYR A 52 -11.785 4.702 -2.919 1.00 60.22 C ATOM 791 O TYR A 52 -11.186 5.716 -3.291 1.00 40.41 O ATOM 792 CB TYR A 52 -13.124 4.265 -0.811 1.00 11.44 C ATOM 793 CG TYR A 52 -13.726 5.647 -0.723 1.00 15.03 C ATOM 794 CD1 TYR A 52 -14.400 6.160 -1.844 1.00 33.32 C ATOM 795 CD2 TYR A 52 -13.596 6.429 0.438 1.00 4.02 C ATOM 796 CE1 TYR A 52 -14.902 7.463 -1.832 1.00 43.32 C ATOM 797 CE2 TYR A 52 -14.122 7.729 0.469 1.00 1.41 C ATOM 798 CZ TYR A 52 -14.758 8.263 -0.676 1.00 15.30 C ATOM 799 OH TYR A 52 -15.246 9.535 -0.662 1.00 73.33 O ATOM 0 H TYR A 52 -11.049 6.092 -0.839 1.00 31.32 H new ATOM 0 HA TYR A 52 -11.369 3.216 -1.429 1.00 63.32 H new ATOM 0 HB2 TYR A 52 -13.792 3.622 -1.385 1.00 11.44 H new ATOM 0 HB3 TYR A 52 -13.058 3.842 0.191 1.00 11.44 H new ATOM 0 HD1 TYR A 52 -14.531 5.543 -2.720 1.00 33.32 H new ATOM 0 HD2 TYR A 52 -13.092 6.029 1.305 1.00 4.02 H new ATOM 0 HE1 TYR A 52 -15.400 7.859 -2.705 1.00 43.32 H new ATOM 0 HE2 TYR A 52 -14.041 8.323 1.368 1.00 1.41 H new ATOM 0 HH TYR A 52 -15.064 9.946 0.209 1.00 73.33 H new ATOM 809 N GLY A 53 -12.516 3.960 -3.748 1.00 2.43 N ATOM 810 CA GLY A 53 -12.609 4.158 -5.194 1.00 31.33 C ATOM 811 C GLY A 53 -11.223 4.156 -5.843 1.00 15.04 C ATOM 812 O GLY A 53 -10.897 5.059 -6.610 1.00 63.34 O ATOM 0 H GLY A 53 -13.080 3.176 -3.420 1.00 2.43 H new ATOM 0 HA2 GLY A 53 -13.220 3.370 -5.633 1.00 31.33 H new ATOM 0 HA3 GLY A 53 -13.110 5.103 -5.403 1.00 31.33 H new ATOM 816 N LYS A 54 -10.373 3.210 -5.437 1.00 24.12 N ATOM 817 CA LYS A 54 -8.932 3.173 -5.715 1.00 53.31 C ATOM 818 C LYS A 54 -8.471 1.770 -6.122 1.00 44.14 C ATOM 819 O LYS A 54 -7.269 1.528 -6.205 1.00 13.50 O ATOM 820 CB LYS A 54 -8.152 3.704 -4.484 1.00 53.54 C ATOM 821 CG LYS A 54 -7.312 4.971 -4.739 1.00 24.41 C ATOM 822 CD LYS A 54 -8.155 6.233 -4.986 1.00 43.21 C ATOM 823 CE LYS A 54 -8.262 6.580 -6.468 1.00 12.02 C ATOM 824 NZ LYS A 54 -9.365 7.513 -6.745 1.00 40.33 N ATOM 0 H LYS A 54 -10.682 2.413 -4.881 1.00 24.12 H new ATOM 0 HA LYS A 54 -8.721 3.822 -6.565 1.00 53.31 H new ATOM 0 HB2 LYS A 54 -8.863 3.913 -3.685 1.00 53.54 H new ATOM 0 HB3 LYS A 54 -7.491 2.915 -4.124 1.00 53.54 H new ATOM 0 HG2 LYS A 54 -6.660 5.142 -3.882 1.00 24.41 H new ATOM 0 HG3 LYS A 54 -6.667 4.801 -5.601 1.00 24.41 H new ATOM 0 HD2 LYS A 54 -9.155 6.085 -4.577 1.00 43.21 H new ATOM 0 HD3 LYS A 54 -7.713 7.073 -4.450 1.00 43.21 H new ATOM 0 HE2 LYS A 54 -7.323 7.021 -6.804 1.00 12.02 H new ATOM 0 HE3 LYS A 54 -8.409 5.666 -7.043 1.00 12.02 H new ATOM 0 HZ1 LYS A 54 -9.195 7.991 -7.653 1.00 40.33 H new ATOM 0 HZ2 LYS A 54 -10.261 6.987 -6.793 1.00 40.33 H new ATOM 0 HZ3 LYS A 54 -9.420 8.221 -5.985 1.00 40.33 H new ATOM 838 N LEU A 55 -9.391 0.814 -6.285 1.00 0.14 N ATOM 839 CA LEU A 55 -9.070 -0.594 -6.499 1.00 14.00 C ATOM 840 C LEU A 55 -8.271 -0.830 -7.773 1.00 2.34 C ATOM 841 O LEU A 55 -7.313 -1.604 -7.767 1.00 31.32 O ATOM 842 CB LEU A 55 -10.397 -1.375 -6.503 1.00 14.45 C ATOM 843 CG LEU A 55 -10.365 -2.871 -6.171 1.00 74.43 C ATOM 844 CD1 LEU A 55 -10.104 -3.680 -7.417 1.00 62.23 C ATOM 845 CD2 LEU A 55 -9.366 -3.271 -5.081 1.00 45.32 C ATOM 0 H LEU A 55 -10.393 1.003 -6.271 1.00 0.14 H new ATOM 0 HA LEU A 55 -8.424 -0.945 -5.695 1.00 14.00 H new ATOM 0 HB2 LEU A 55 -11.068 -0.892 -5.793 1.00 14.45 H new ATOM 0 HB3 LEU A 55 -10.844 -1.264 -7.491 1.00 14.45 H new ATOM 0 HG LEU A 55 -11.352 -3.090 -5.765 1.00 74.43 H new ATOM 0 HD11 LEU A 55 -10.084 -4.740 -7.165 1.00 62.23 H new ATOM 0 HD12 LEU A 55 -10.895 -3.495 -8.144 1.00 62.23 H new ATOM 0 HD13 LEU A 55 -9.144 -3.391 -7.844 1.00 62.23 H new ATOM 0 HD21 LEU A 55 -9.418 -4.347 -4.917 1.00 45.32 H new ATOM 0 HD22 LEU A 55 -8.358 -2.999 -5.394 1.00 45.32 H new ATOM 0 HD23 LEU A 55 -9.611 -2.751 -4.155 1.00 45.32 H new ATOM 857 N ASN A 56 -8.658 -0.158 -8.856 1.00 20.24 N ATOM 858 CA ASN A 56 -8.122 -0.409 -10.187 1.00 1.30 C ATOM 859 C ASN A 56 -6.830 0.366 -10.441 1.00 31.21 C ATOM 860 O ASN A 56 -6.356 0.388 -11.577 1.00 15.20 O ATOM 861 CB ASN A 56 -9.191 -0.145 -11.260 1.00 75.54 C ATOM 862 CG ASN A 56 -10.304 -1.187 -11.223 1.00 33.13 C ATOM 863 OD1 ASN A 56 -10.082 -2.343 -10.857 1.00 1.35 O ATOM 864 ND2 ASN A 56 -11.514 -0.799 -11.574 1.00 2.01 N ATOM 0 H ASN A 56 -9.359 0.582 -8.831 1.00 20.24 H new ATOM 0 HA ASN A 56 -7.852 -1.463 -10.248 1.00 1.30 H new ATOM 0 HB2 ASN A 56 -9.617 0.847 -11.111 1.00 75.54 H new ATOM 0 HB3 ASN A 56 -8.725 -0.147 -12.245 1.00 75.54 H new ATOM 0 HD21 ASN A 56 -12.290 -1.461 -11.546 1.00 2.01 H new ATOM 0 HD22 ASN A 56 -11.674 0.163 -11.874 1.00 2.01 H new ATOM 871 N VAL A 57 -6.220 0.947 -9.405 1.00 12.32 N ATOM 872 CA VAL A 57 -4.869 1.487 -9.458 1.00 12.03 C ATOM 873 C VAL A 57 -3.894 0.467 -10.042 1.00 14.13 C ATOM 874 O VAL A 57 -4.127 -0.747 -10.035 1.00 4.40 O ATOM 875 CB VAL A 57 -4.472 1.968 -8.043 1.00 23.24 C ATOM 876 CG1 VAL A 57 -4.345 0.835 -7.017 1.00 74.43 C ATOM 877 CG2 VAL A 57 -3.162 2.773 -7.997 1.00 52.54 C ATOM 0 H VAL A 57 -6.663 1.055 -8.493 1.00 12.32 H new ATOM 0 HA VAL A 57 -4.830 2.345 -10.129 1.00 12.03 H new ATOM 0 HB VAL A 57 -5.307 2.616 -7.777 1.00 23.24 H new ATOM 0 HG11 VAL A 57 -4.064 1.250 -6.049 1.00 74.43 H new ATOM 0 HG12 VAL A 57 -5.300 0.317 -6.926 1.00 74.43 H new ATOM 0 HG13 VAL A 57 -3.580 0.131 -7.345 1.00 74.43 H new ATOM 0 HG21 VAL A 57 -2.955 3.073 -6.970 1.00 52.54 H new ATOM 0 HG22 VAL A 57 -2.343 2.156 -8.367 1.00 52.54 H new ATOM 0 HG23 VAL A 57 -3.259 3.661 -8.622 1.00 52.54 H new ATOM 887 N GLY A 58 -2.739 0.958 -10.476 1.00 13.30 N ATOM 888 CA GLY A 58 -1.570 0.128 -10.575 1.00 42.04 C ATOM 889 C GLY A 58 -0.324 0.916 -10.209 1.00 1.14 C ATOM 890 O GLY A 58 -0.348 2.145 -10.113 1.00 54.21 O ATOM 0 H GLY A 58 -2.599 1.927 -10.762 1.00 13.30 H new ATOM 0 HA2 GLY A 58 -1.671 -0.732 -9.913 1.00 42.04 H new ATOM 0 HA3 GLY A 58 -1.477 -0.260 -11.590 1.00 42.04 H new ATOM 894 N LEU A 59 0.773 0.199 -9.985 1.00 11.12 N ATOM 895 CA LEU A 59 2.093 0.780 -9.850 1.00 51.11 C ATOM 896 C LEU A 59 2.587 1.129 -11.247 1.00 42.03 C ATOM 897 O LEU A 59 2.449 0.325 -12.168 1.00 14.12 O ATOM 898 CB LEU A 59 3.033 -0.248 -9.193 1.00 41.13 C ATOM 899 CG LEU A 59 3.853 0.281 -8.009 1.00 13.10 C ATOM 900 CD1 LEU A 59 4.848 1.363 -8.422 1.00 33.53 C ATOM 901 CD2 LEU A 59 2.953 0.803 -6.894 1.00 41.35 C ATOM 0 H LEU A 59 0.763 -0.817 -9.892 1.00 11.12 H new ATOM 0 HA LEU A 59 2.068 1.674 -9.227 1.00 51.11 H new ATOM 0 HB2 LEU A 59 2.438 -1.095 -8.853 1.00 41.13 H new ATOM 0 HB3 LEU A 59 3.720 -0.625 -9.951 1.00 41.13 H new ATOM 0 HG LEU A 59 4.423 -0.569 -7.634 1.00 13.10 H new ATOM 0 HD11 LEU A 59 5.401 1.702 -7.546 1.00 33.53 H new ATOM 0 HD12 LEU A 59 5.544 0.956 -9.156 1.00 33.53 H new ATOM 0 HD13 LEU A 59 4.310 2.204 -8.859 1.00 33.53 H new ATOM 0 HD21 LEU A 59 3.568 1.170 -6.072 1.00 41.35 H new ATOM 0 HD22 LEU A 59 2.335 1.616 -7.276 1.00 41.35 H new ATOM 0 HD23 LEU A 59 2.312 -0.003 -6.536 1.00 41.35 H new ATOM 913 N VAL A 60 3.201 2.297 -11.387 1.00 2.33 N ATOM 914 CA VAL A 60 3.757 2.791 -12.642 1.00 54.14 C ATOM 915 C VAL A 60 5.274 2.882 -12.579 1.00 55.21 C ATOM 916 O VAL A 60 5.940 2.611 -13.579 1.00 0.01 O ATOM 917 CB VAL A 60 3.117 4.137 -13.041 1.00 41.43 C ATOM 918 CG1 VAL A 60 1.965 3.848 -13.998 1.00 3.14 C ATOM 919 CG2 VAL A 60 2.562 4.949 -11.865 1.00 32.50 C ATOM 0 H VAL A 60 3.330 2.945 -10.610 1.00 2.33 H new ATOM 0 HA VAL A 60 3.513 2.071 -13.423 1.00 54.14 H new ATOM 0 HB VAL A 60 3.909 4.737 -13.490 1.00 41.43 H new ATOM 0 HG11 VAL A 60 1.495 4.785 -14.295 1.00 3.14 H new ATOM 0 HG12 VAL A 60 2.346 3.337 -14.882 1.00 3.14 H new ATOM 0 HG13 VAL A 60 1.230 3.215 -13.501 1.00 3.14 H new ATOM 0 HG21 VAL A 60 2.131 5.879 -12.236 1.00 32.50 H new ATOM 0 HG22 VAL A 60 1.792 4.371 -11.355 1.00 32.50 H new ATOM 0 HG23 VAL A 60 3.368 5.176 -11.167 1.00 32.50 H new ATOM 929 N GLY A 61 5.834 3.189 -11.412 1.00 13.24 N ATOM 930 CA GLY A 61 7.276 3.323 -11.286 1.00 33.14 C ATOM 931 C GLY A 61 7.787 3.397 -9.856 1.00 32.11 C ATOM 932 O GLY A 61 7.017 3.596 -8.913 1.00 44.21 O ATOM 0 H GLY A 61 5.314 3.348 -10.549 1.00 13.24 H new ATOM 0 HA2 GLY A 61 7.750 2.477 -11.783 1.00 33.14 H new ATOM 0 HA3 GLY A 61 7.591 4.222 -11.816 1.00 33.14 H new ATOM 936 N VAL A 62 9.095 3.181 -9.705 1.00 23.31 N ATOM 937 CA VAL A 62 9.763 2.997 -8.427 1.00 71.42 C ATOM 938 C VAL A 62 11.264 3.210 -8.609 1.00 31.24 C ATOM 939 O VAL A 62 11.893 2.553 -9.443 1.00 35.20 O ATOM 940 CB VAL A 62 9.399 1.603 -7.884 1.00 73.44 C ATOM 941 CG1 VAL A 62 9.825 0.418 -8.772 1.00 75.21 C ATOM 942 CG2 VAL A 62 9.870 1.345 -6.461 1.00 33.24 C ATOM 0 H VAL A 62 9.734 3.129 -10.498 1.00 23.31 H new ATOM 0 HA VAL A 62 9.435 3.728 -7.688 1.00 71.42 H new ATOM 0 HB VAL A 62 8.310 1.647 -7.893 1.00 73.44 H new ATOM 0 HG11 VAL A 62 9.522 -0.517 -8.301 1.00 75.21 H new ATOM 0 HG12 VAL A 62 9.347 0.504 -9.748 1.00 75.21 H new ATOM 0 HG13 VAL A 62 10.908 0.428 -8.897 1.00 75.21 H new ATOM 0 HG21 VAL A 62 9.573 0.342 -6.156 1.00 33.24 H new ATOM 0 HG22 VAL A 62 10.956 1.432 -6.416 1.00 33.24 H new ATOM 0 HG23 VAL A 62 9.419 2.077 -5.790 1.00 33.24 H new ATOM 952 N GLU A 63 11.840 4.128 -7.834 1.00 0.12 N ATOM 953 CA GLU A 63 13.287 4.376 -7.766 1.00 35.14 C ATOM 954 C GLU A 63 13.680 4.863 -6.362 1.00 12.22 C ATOM 955 O GLU A 63 12.923 5.616 -5.748 1.00 23.42 O ATOM 956 CB GLU A 63 13.736 5.427 -8.797 1.00 53.23 C ATOM 957 CG GLU A 63 13.465 4.977 -10.236 1.00 40.32 C ATOM 958 CD GLU A 63 14.173 5.783 -11.322 1.00 51.15 C ATOM 959 OE1 GLU A 63 14.158 7.034 -11.316 1.00 13.02 O ATOM 960 OE2 GLU A 63 14.731 5.153 -12.251 1.00 12.13 O ATOM 0 H GLU A 63 11.302 4.738 -7.218 1.00 0.12 H new ATOM 0 HA GLU A 63 13.784 3.432 -7.990 1.00 35.14 H new ATOM 0 HB2 GLU A 63 13.215 6.366 -8.607 1.00 53.23 H new ATOM 0 HB3 GLU A 63 14.801 5.623 -8.674 1.00 53.23 H new ATOM 0 HG2 GLU A 63 13.760 3.932 -10.333 1.00 40.32 H new ATOM 0 HG3 GLU A 63 12.391 5.023 -10.416 1.00 40.32 H new ATOM 967 N PRO A 64 14.856 4.483 -5.835 1.00 2.42 N ATOM 968 CA PRO A 64 15.252 4.746 -4.454 1.00 12.43 C ATOM 969 C PRO A 64 15.448 6.250 -4.247 1.00 74.32 C ATOM 970 O PRO A 64 16.142 6.904 -5.024 1.00 45.43 O ATOM 971 CB PRO A 64 16.521 3.921 -4.223 1.00 31.20 C ATOM 972 CG PRO A 64 17.118 3.768 -5.621 1.00 34.30 C ATOM 973 CD PRO A 64 15.899 3.775 -6.550 1.00 3.33 C ATOM 0 HA PRO A 64 14.495 4.455 -3.726 1.00 12.43 H new ATOM 0 HB2 PRO A 64 17.210 4.428 -3.547 1.00 31.20 H new ATOM 0 HB3 PRO A 64 16.293 2.953 -3.778 1.00 31.20 H new ATOM 0 HG2 PRO A 64 17.802 4.584 -5.854 1.00 34.30 H new ATOM 0 HG3 PRO A 64 17.685 2.841 -5.713 1.00 34.30 H new ATOM 0 HD2 PRO A 64 16.130 4.270 -7.493 1.00 3.33 H new ATOM 0 HD3 PRO A 64 15.586 2.759 -6.791 1.00 3.33 H new ATOM 981 N ALA A 65 14.828 6.817 -3.210 1.00 1.40 N ATOM 982 CA ALA A 65 14.756 8.263 -3.005 1.00 22.25 C ATOM 983 C ALA A 65 15.974 8.789 -2.243 1.00 24.40 C ATOM 984 O ALA A 65 15.839 9.632 -1.351 1.00 42.44 O ATOM 985 CB ALA A 65 13.453 8.598 -2.269 1.00 24.11 C ATOM 0 H ALA A 65 14.358 6.279 -2.482 1.00 1.40 H new ATOM 0 HA ALA A 65 14.761 8.758 -3.976 1.00 22.25 H new ATOM 0 HB1 ALA A 65 13.391 9.675 -2.112 1.00 24.11 H new ATOM 0 HB2 ALA A 65 12.603 8.269 -2.866 1.00 24.11 H new ATOM 0 HB3 ALA A 65 13.438 8.089 -1.305 1.00 24.11 H new ATOM 991 N GLY A 66 17.144 8.209 -2.496 1.00 14.33 N ATOM 992 CA GLY A 66 18.349 8.410 -1.719 1.00 52.23 C ATOM 993 C GLY A 66 18.758 7.098 -1.074 1.00 44.23 C ATOM 994 O GLY A 66 19.099 6.147 -1.782 1.00 71.12 O ATOM 0 H GLY A 66 17.277 7.565 -3.276 1.00 14.33 H new ATOM 0 HA2 GLY A 66 19.150 8.779 -2.359 1.00 52.23 H new ATOM 0 HA3 GLY A 66 18.179 9.167 -0.953 1.00 52.23 H new ATOM 998 N GLN A 67 18.745 7.059 0.260 1.00 45.02 N ATOM 999 CA GLN A 67 19.363 6.002 1.060 1.00 13.44 C ATOM 1000 C GLN A 67 18.479 5.545 2.224 1.00 51.32 C ATOM 1001 O GLN A 67 18.936 4.783 3.074 1.00 20.10 O ATOM 1002 CB GLN A 67 20.713 6.487 1.619 1.00 60.13 C ATOM 1003 CG GLN A 67 21.627 7.115 0.562 1.00 24.22 C ATOM 1004 CD GLN A 67 23.106 7.000 0.926 1.00 61.41 C ATOM 1005 OE1 GLN A 67 23.493 7.048 2.095 1.00 60.21 O ATOM 1006 NE2 GLN A 67 23.967 6.821 -0.058 1.00 1.23 N ATOM 0 H GLN A 67 18.294 7.778 0.826 1.00 45.02 H new ATOM 0 HA GLN A 67 19.505 5.150 0.396 1.00 13.44 H new ATOM 0 HB2 GLN A 67 20.529 7.217 2.407 1.00 60.13 H new ATOM 0 HB3 GLN A 67 21.230 5.645 2.079 1.00 60.13 H new ATOM 0 HG2 GLN A 67 21.454 6.630 -0.398 1.00 24.22 H new ATOM 0 HG3 GLN A 67 21.367 8.166 0.439 1.00 24.22 H new ATOM 0 HE21 GLN A 67 23.638 6.782 -1.023 1.00 1.23 H new ATOM 0 HE22 GLN A 67 24.961 6.721 0.146 1.00 1.23 H new ATOM 1015 N TYR A 68 17.260 6.061 2.340 1.00 33.10 N ATOM 1016 CA TYR A 68 16.447 5.925 3.552 1.00 35.51 C ATOM 1017 C TYR A 68 14.963 5.720 3.258 1.00 23.44 C ATOM 1018 O TYR A 68 14.218 5.388 4.175 1.00 44.31 O ATOM 1019 CB TYR A 68 16.658 7.150 4.457 1.00 11.45 C ATOM 1020 CG TYR A 68 16.532 8.486 3.746 1.00 64.23 C ATOM 1021 CD1 TYR A 68 17.666 9.067 3.143 1.00 54.31 C ATOM 1022 CD2 TYR A 68 15.275 9.101 3.606 1.00 1.12 C ATOM 1023 CE1 TYR A 68 17.553 10.242 2.380 1.00 20.10 C ATOM 1024 CE2 TYR A 68 15.153 10.285 2.859 1.00 42.22 C ATOM 1025 CZ TYR A 68 16.289 10.867 2.249 1.00 72.14 C ATOM 1026 OH TYR A 68 16.128 11.995 1.507 1.00 45.01 O ATOM 0 H TYR A 68 16.803 6.588 1.596 1.00 33.10 H new ATOM 0 HA TYR A 68 16.781 5.024 4.066 1.00 35.51 H new ATOM 0 HB2 TYR A 68 15.932 7.115 5.270 1.00 11.45 H new ATOM 0 HB3 TYR A 68 17.647 7.085 4.910 1.00 11.45 H new ATOM 0 HD1 TYR A 68 18.633 8.604 3.269 1.00 54.31 H new ATOM 0 HD2 TYR A 68 14.404 8.664 4.072 1.00 1.12 H new ATOM 0 HE1 TYR A 68 18.422 10.664 1.898 1.00 20.10 H new ATOM 0 HE2 TYR A 68 14.186 10.754 2.750 1.00 42.22 H new ATOM 0 HH TYR A 68 15.189 12.274 1.536 1.00 45.01 H new ATOM 1036 N ALA A 69 14.520 5.922 2.019 1.00 40.31 N ATOM 1037 CA ALA A 69 13.152 5.765 1.565 1.00 5.02 C ATOM 1038 C ALA A 69 13.171 5.368 0.092 1.00 22.43 C ATOM 1039 O ALA A 69 14.158 5.595 -0.615 1.00 32.25 O ATOM 1040 CB ALA A 69 12.388 7.084 1.761 1.00 0.31 C ATOM 0 H ALA A 69 15.145 6.216 1.268 1.00 40.31 H new ATOM 0 HA ALA A 69 12.648 4.989 2.141 1.00 5.02 H new ATOM 0 HB1 ALA A 69 11.360 6.963 1.419 1.00 0.31 H new ATOM 0 HB2 ALA A 69 12.390 7.352 2.818 1.00 0.31 H new ATOM 0 HB3 ALA A 69 12.871 7.873 1.186 1.00 0.31 H new ATOM 1046 N LEU A 70 12.050 4.838 -0.394 1.00 72.33 N ATOM 1047 CA LEU A 70 11.912 4.388 -1.772 1.00 74.21 C ATOM 1048 C LEU A 70 10.794 5.188 -2.440 1.00 5.22 C ATOM 1049 O LEU A 70 9.655 5.120 -1.977 1.00 40.04 O ATOM 1050 CB LEU A 70 11.634 2.874 -1.807 1.00 11.43 C ATOM 1051 CG LEU A 70 12.268 2.188 -3.028 1.00 15.40 C ATOM 1052 CD1 LEU A 70 11.745 0.766 -3.177 1.00 24.10 C ATOM 1053 CD2 LEU A 70 11.955 2.911 -4.326 1.00 2.10 C ATOM 0 H LEU A 70 11.207 4.709 0.165 1.00 72.33 H new ATOM 0 HA LEU A 70 12.837 4.559 -2.323 1.00 74.21 H new ATOM 0 HB2 LEU A 70 12.019 2.416 -0.896 1.00 11.43 H new ATOM 0 HB3 LEU A 70 10.557 2.706 -1.818 1.00 11.43 H new ATOM 0 HG LEU A 70 13.343 2.201 -2.851 1.00 15.40 H new ATOM 0 HD11 LEU A 70 12.206 0.298 -4.047 1.00 24.10 H new ATOM 0 HD12 LEU A 70 11.991 0.192 -2.283 1.00 24.10 H new ATOM 0 HD13 LEU A 70 10.663 0.788 -3.308 1.00 24.10 H new ATOM 0 HD21 LEU A 70 12.426 2.386 -5.157 1.00 2.10 H new ATOM 0 HD22 LEU A 70 10.876 2.936 -4.477 1.00 2.10 H new ATOM 0 HD23 LEU A 70 12.338 3.930 -4.276 1.00 2.10 H new ATOM 1065 N LYS A 71 11.105 5.985 -3.467 1.00 62.12 N ATOM 1066 CA LYS A 71 10.129 6.784 -4.199 1.00 62.32 C ATOM 1067 C LYS A 71 9.207 5.832 -4.952 1.00 21.51 C ATOM 1068 O LYS A 71 9.697 4.993 -5.712 1.00 43.34 O ATOM 1069 CB LYS A 71 10.858 7.724 -5.178 1.00 31.11 C ATOM 1070 CG LYS A 71 10.103 9.025 -5.440 1.00 11.42 C ATOM 1071 CD LYS A 71 10.089 9.942 -4.214 1.00 72.34 C ATOM 1072 CE LYS A 71 9.840 11.381 -4.669 1.00 33.20 C ATOM 1073 NZ LYS A 71 9.938 12.352 -3.569 1.00 51.02 N ATOM 0 H LYS A 71 12.058 6.092 -3.815 1.00 62.12 H new ATOM 0 HA LYS A 71 9.543 7.397 -3.515 1.00 62.32 H new ATOM 0 HB2 LYS A 71 11.845 7.959 -4.779 1.00 31.11 H new ATOM 0 HB3 LYS A 71 11.012 7.204 -6.124 1.00 31.11 H new ATOM 0 HG2 LYS A 71 10.564 9.548 -6.278 1.00 11.42 H new ATOM 0 HG3 LYS A 71 9.078 8.796 -5.732 1.00 11.42 H new ATOM 0 HD2 LYS A 71 9.311 9.628 -3.518 1.00 72.34 H new ATOM 0 HD3 LYS A 71 11.038 9.874 -3.683 1.00 72.34 H new ATOM 0 HE2 LYS A 71 10.561 11.642 -5.443 1.00 33.20 H new ATOM 0 HE3 LYS A 71 8.850 11.448 -5.120 1.00 33.20 H new ATOM 0 HZ1 LYS A 71 9.761 13.309 -3.934 1.00 51.02 H new ATOM 0 HZ2 LYS A 71 9.232 12.123 -2.840 1.00 51.02 H new ATOM 0 HZ3 LYS A 71 10.891 12.311 -3.154 1.00 51.02 H new ATOM 1087 N LEU A 72 7.902 5.937 -4.722 1.00 31.22 N ATOM 1088 CA LEU A 72 6.897 5.040 -5.269 1.00 25.53 C ATOM 1089 C LEU A 72 5.842 5.859 -5.999 1.00 53.32 C ATOM 1090 O LEU A 72 5.273 6.775 -5.399 1.00 14.41 O ATOM 1091 CB LEU A 72 6.247 4.240 -4.130 1.00 11.03 C ATOM 1092 CG LEU A 72 6.874 2.855 -3.915 1.00 2.34 C ATOM 1093 CD1 LEU A 72 6.490 2.308 -2.538 1.00 3.31 C ATOM 1094 CD2 LEU A 72 6.361 1.897 -4.995 1.00 53.33 C ATOM 0 H LEU A 72 7.506 6.670 -4.133 1.00 31.22 H new ATOM 0 HA LEU A 72 7.363 4.345 -5.968 1.00 25.53 H new ATOM 0 HB2 LEU A 72 6.325 4.812 -3.205 1.00 11.03 H new ATOM 0 HB3 LEU A 72 5.185 4.120 -4.342 1.00 11.03 H new ATOM 0 HG LEU A 72 7.959 2.943 -3.975 1.00 2.34 H new ATOM 0 HD11 LEU A 72 6.941 1.326 -2.398 1.00 3.31 H new ATOM 0 HD12 LEU A 72 6.850 2.986 -1.764 1.00 3.31 H new ATOM 0 HD13 LEU A 72 5.405 2.222 -2.470 1.00 3.31 H new ATOM 0 HD21 LEU A 72 6.803 0.912 -4.847 1.00 53.33 H new ATOM 0 HD22 LEU A 72 5.276 1.821 -4.929 1.00 53.33 H new ATOM 0 HD23 LEU A 72 6.639 2.275 -5.979 1.00 53.33 H new ATOM 1106 N SER A 73 5.560 5.498 -7.253 1.00 52.13 N ATOM 1107 CA SER A 73 4.581 6.163 -8.097 1.00 20.32 C ATOM 1108 C SER A 73 3.343 5.279 -8.234 1.00 1.23 C ATOM 1109 O SER A 73 3.481 4.077 -8.459 1.00 51.13 O ATOM 1110 CB SER A 73 5.145 6.369 -9.502 1.00 72.55 C ATOM 1111 OG SER A 73 6.459 6.877 -9.589 1.00 51.31 O ATOM 0 H SER A 73 6.021 4.715 -7.715 1.00 52.13 H new ATOM 0 HA SER A 73 4.334 7.122 -7.641 1.00 20.32 H new ATOM 0 HB2 SER A 73 5.114 5.413 -10.025 1.00 72.55 H new ATOM 0 HB3 SER A 73 4.482 7.047 -10.039 1.00 72.55 H new ATOM 0 HG SER A 73 6.714 6.965 -10.531 1.00 51.31 H new ATOM 1117 N PHE A 74 2.140 5.842 -8.187 1.00 2.15 N ATOM 1118 CA PHE A 74 0.907 5.093 -8.360 1.00 60.24 C ATOM 1119 C PHE A 74 0.065 5.791 -9.413 1.00 63.23 C ATOM 1120 O PHE A 74 -0.133 7.005 -9.383 1.00 24.53 O ATOM 1121 CB PHE A 74 0.152 4.946 -7.037 1.00 3.15 C ATOM 1122 CG PHE A 74 0.793 3.990 -6.040 1.00 11.32 C ATOM 1123 CD1 PHE A 74 1.975 4.329 -5.348 1.00 63.24 C ATOM 1124 CD2 PHE A 74 0.197 2.738 -5.794 1.00 15.33 C ATOM 1125 CE1 PHE A 74 2.518 3.445 -4.405 1.00 71.45 C ATOM 1126 CE2 PHE A 74 0.758 1.857 -4.854 1.00 51.03 C ATOM 1127 CZ PHE A 74 1.919 2.209 -4.158 1.00 62.41 C ATOM 0 H PHE A 74 1.996 6.839 -8.026 1.00 2.15 H new ATOM 0 HA PHE A 74 1.136 4.081 -8.694 1.00 60.24 H new ATOM 0 HB2 PHE A 74 0.065 5.928 -6.573 1.00 3.15 H new ATOM 0 HB3 PHE A 74 -0.861 4.603 -7.249 1.00 3.15 H new ATOM 0 HD1 PHE A 74 2.463 5.272 -5.545 1.00 63.24 H new ATOM 0 HD2 PHE A 74 -0.696 2.453 -6.331 1.00 15.33 H new ATOM 0 HE1 PHE A 74 3.410 3.724 -3.864 1.00 71.45 H new ATOM 0 HE2 PHE A 74 0.290 0.902 -4.668 1.00 51.03 H new ATOM 0 HZ PHE A 74 2.348 1.530 -3.436 1.00 62.41 H new ATOM 1137 N ASP A 75 -0.453 4.993 -10.340 1.00 52.01 N ATOM 1138 CA ASP A 75 -1.224 5.458 -11.492 1.00 15.32 C ATOM 1139 C ASP A 75 -2.446 6.273 -11.078 1.00 22.42 C ATOM 1140 O ASP A 75 -2.811 7.256 -11.724 1.00 0.23 O ATOM 1141 CB ASP A 75 -1.677 4.249 -12.309 1.00 51.12 C ATOM 1142 CG ASP A 75 -2.606 4.654 -13.447 1.00 43.02 C ATOM 1143 OD1 ASP A 75 -2.150 5.407 -14.334 1.00 71.22 O ATOM 1144 OD2 ASP A 75 -3.761 4.171 -13.482 1.00 21.10 O ATOM 0 H ASP A 75 -0.347 3.979 -10.312 1.00 52.01 H new ATOM 0 HA ASP A 75 -0.580 6.108 -12.085 1.00 15.32 H new ATOM 0 HB2 ASP A 75 -0.805 3.737 -12.716 1.00 51.12 H new ATOM 0 HB3 ASP A 75 -2.187 3.540 -11.657 1.00 51.12 H new ATOM 1149 N ASP A 76 -3.038 5.882 -9.957 1.00 44.12 N ATOM 1150 CA ASP A 76 -4.266 6.442 -9.413 1.00 63.32 C ATOM 1151 C ASP A 76 -3.935 7.226 -8.136 1.00 71.52 C ATOM 1152 O ASP A 76 -4.683 7.211 -7.156 1.00 51.02 O ATOM 1153 CB ASP A 76 -5.275 5.305 -9.203 1.00 54.31 C ATOM 1154 CG ASP A 76 -6.715 5.784 -9.098 1.00 60.15 C ATOM 1155 OD1 ASP A 76 -6.968 7.005 -9.194 1.00 23.21 O ATOM 1156 OD2 ASP A 76 -7.615 4.934 -8.907 1.00 23.24 O ATOM 0 H ASP A 76 -2.658 5.133 -9.378 1.00 44.12 H new ATOM 0 HA ASP A 76 -4.730 7.151 -10.099 1.00 63.32 H new ATOM 0 HB2 ASP A 76 -5.194 4.601 -10.031 1.00 54.31 H new ATOM 0 HB3 ASP A 76 -5.014 4.761 -8.295 1.00 54.31 H new ATOM 1161 N GLY A 77 -2.742 7.830 -8.112 1.00 73.21 N ATOM 1162 CA GLY A 77 -2.133 8.489 -6.965 1.00 74.23 C ATOM 1163 C GLY A 77 -1.601 9.874 -7.322 1.00 2.00 C ATOM 1164 O GLY A 77 -2.054 10.490 -8.290 1.00 23.23 O ATOM 0 H GLY A 77 -2.148 7.871 -8.940 1.00 73.21 H new ATOM 0 HA2 GLY A 77 -2.868 8.577 -6.165 1.00 74.23 H new ATOM 0 HA3 GLY A 77 -1.318 7.874 -6.583 1.00 74.23 H new ATOM 1168 N HIS A 78 -0.707 10.410 -6.486 1.00 71.14 N ATOM 1169 CA HIS A 78 -0.168 11.756 -6.568 1.00 13.41 C ATOM 1170 C HIS A 78 1.349 11.809 -6.325 1.00 53.23 C ATOM 1171 O HIS A 78 1.904 12.892 -6.141 1.00 44.14 O ATOM 1172 CB HIS A 78 -0.925 12.620 -5.561 1.00 23.20 C ATOM 1173 CG HIS A 78 -0.798 12.205 -4.119 1.00 51.02 C ATOM 1174 ND1 HIS A 78 0.319 12.338 -3.328 1.00 4.51 N ATOM 1175 CD2 HIS A 78 -1.799 11.688 -3.348 1.00 42.31 C ATOM 1176 CE1 HIS A 78 0.008 11.870 -2.108 1.00 24.41 C ATOM 1177 NE2 HIS A 78 -1.271 11.450 -2.074 1.00 32.40 N ATOM 0 H HIS A 78 -0.326 9.886 -5.698 1.00 71.14 H new ATOM 0 HA HIS A 78 -0.307 12.135 -7.581 1.00 13.41 H new ATOM 0 HB2 HIS A 78 -0.575 13.648 -5.656 1.00 23.20 H new ATOM 0 HB3 HIS A 78 -1.981 12.617 -5.829 1.00 23.20 H new ATOM 0 HD2 HIS A 78 -2.814 11.497 -3.664 1.00 42.31 H new ATOM 0 HE1 HIS A 78 0.689 11.835 -1.271 1.00 24.41 H new ATOM 0 HE2 HIS A 78 -1.758 11.040 -1.277 1.00 32.40 H new ATOM 1185 N ASP A 79 2.004 10.650 -6.282 1.00 12.30 N ATOM 1186 CA ASP A 79 3.448 10.404 -6.302 1.00 71.21 C ATOM 1187 C ASP A 79 4.218 11.311 -5.337 1.00 22.11 C ATOM 1188 O ASP A 79 5.260 11.882 -5.674 1.00 73.43 O ATOM 1189 CB ASP A 79 3.981 10.436 -7.749 1.00 2.02 C ATOM 1190 CG ASP A 79 3.266 9.484 -8.707 1.00 53.11 C ATOM 1191 OD1 ASP A 79 2.526 8.591 -8.237 1.00 11.34 O ATOM 1192 OD2 ASP A 79 3.425 9.674 -9.940 1.00 65.43 O ATOM 0 H ASP A 79 1.487 9.772 -6.227 1.00 12.30 H new ATOM 0 HA ASP A 79 3.625 9.398 -5.922 1.00 71.21 H new ATOM 0 HB2 ASP A 79 3.893 11.452 -8.133 1.00 2.02 H new ATOM 0 HB3 ASP A 79 5.043 10.190 -7.738 1.00 2.02 H new ATOM 1197 N SER A 80 3.709 11.445 -4.108 1.00 40.21 N ATOM 1198 CA SER A 80 4.363 12.174 -3.034 1.00 13.24 C ATOM 1199 C SER A 80 4.138 11.449 -1.714 1.00 51.33 C ATOM 1200 O SER A 80 3.110 10.796 -1.498 1.00 52.53 O ATOM 1201 CB SER A 80 3.865 13.625 -2.985 1.00 23.30 C ATOM 1202 OG SER A 80 4.547 14.386 -2.003 1.00 44.21 O ATOM 0 H SER A 80 2.814 11.040 -3.834 1.00 40.21 H new ATOM 0 HA SER A 80 5.436 12.212 -3.220 1.00 13.24 H new ATOM 0 HB2 SER A 80 4.001 14.088 -3.962 1.00 23.30 H new ATOM 0 HB3 SER A 80 2.796 13.635 -2.774 1.00 23.30 H new ATOM 0 HG SER A 80 4.203 15.304 -2.004 1.00 44.21 H new ATOM 1208 N GLY A 81 5.124 11.600 -0.837 1.00 42.14 N ATOM 1209 CA GLY A 81 5.232 10.981 0.462 1.00 41.42 C ATOM 1210 C GLY A 81 6.522 10.181 0.518 1.00 71.52 C ATOM 1211 O GLY A 81 7.090 9.809 -0.516 1.00 42.32 O ATOM 0 H GLY A 81 5.922 12.203 -1.038 1.00 42.14 H new ATOM 0 HA2 GLY A 81 5.225 11.741 1.244 1.00 41.42 H new ATOM 0 HA3 GLY A 81 4.376 10.330 0.642 1.00 41.42 H new ATOM 1215 N LEU A 82 6.985 9.909 1.736 1.00 40.02 N ATOM 1216 CA LEU A 82 8.112 9.032 2.009 1.00 13.13 C ATOM 1217 C LEU A 82 7.521 7.723 2.500 1.00 74.33 C ATOM 1218 O LEU A 82 6.533 7.729 3.237 1.00 2.01 O ATOM 1219 CB LEU A 82 9.065 9.624 3.070 1.00 4.13 C ATOM 1220 CG LEU A 82 10.126 10.585 2.497 1.00 1.14 C ATOM 1221 CD1 LEU A 82 9.547 11.883 1.923 1.00 54.31 C ATOM 1222 CD2 LEU A 82 11.150 10.954 3.574 1.00 20.21 C ATOM 0 H LEU A 82 6.573 10.305 2.581 1.00 40.02 H new ATOM 0 HA LEU A 82 8.711 8.896 1.109 1.00 13.13 H new ATOM 0 HB2 LEU A 82 8.475 10.155 3.817 1.00 4.13 H new ATOM 0 HB3 LEU A 82 9.571 8.807 3.585 1.00 4.13 H new ATOM 0 HG LEU A 82 10.592 10.040 1.676 1.00 1.14 H new ATOM 0 HD11 LEU A 82 10.357 12.504 1.540 1.00 54.31 H new ATOM 0 HD12 LEU A 82 8.857 11.647 1.113 1.00 54.31 H new ATOM 0 HD13 LEU A 82 9.015 12.422 2.707 1.00 54.31 H new ATOM 0 HD21 LEU A 82 11.892 11.633 3.153 1.00 20.21 H new ATOM 0 HD22 LEU A 82 10.643 11.442 4.407 1.00 20.21 H new ATOM 0 HD23 LEU A 82 11.645 10.051 3.930 1.00 20.21 H new ATOM 1234 N PHE A 83 8.170 6.613 2.165 1.00 14.24 N ATOM 1235 CA PHE A 83 7.825 5.284 2.659 1.00 21.13 C ATOM 1236 C PHE A 83 8.850 4.731 3.655 1.00 21.44 C ATOM 1237 O PHE A 83 8.628 3.653 4.203 1.00 24.40 O ATOM 1238 CB PHE A 83 7.614 4.348 1.461 1.00 41.02 C ATOM 1239 CG PHE A 83 6.156 4.214 1.087 1.00 3.13 C ATOM 1240 CD1 PHE A 83 5.288 3.495 1.935 1.00 73.13 C ATOM 1241 CD2 PHE A 83 5.658 4.841 -0.070 1.00 21.24 C ATOM 1242 CE1 PHE A 83 3.917 3.426 1.637 1.00 55.32 C ATOM 1243 CE2 PHE A 83 4.291 4.746 -0.376 1.00 44.44 C ATOM 1244 CZ PHE A 83 3.427 4.056 0.487 1.00 64.43 C ATOM 0 H PHE A 83 8.967 6.612 1.529 1.00 14.24 H new ATOM 0 HA PHE A 83 6.897 5.356 3.226 1.00 21.13 H new ATOM 0 HB2 PHE A 83 8.173 4.726 0.605 1.00 41.02 H new ATOM 0 HB3 PHE A 83 8.018 3.364 1.696 1.00 41.02 H new ATOM 0 HD1 PHE A 83 5.677 2.998 2.812 1.00 73.13 H new ATOM 0 HD2 PHE A 83 6.323 5.392 -0.719 1.00 21.24 H new ATOM 0 HE1 PHE A 83 3.245 2.890 2.291 1.00 55.32 H new ATOM 0 HE2 PHE A 83 3.905 5.204 -1.275 1.00 44.44 H new ATOM 0 HZ PHE A 83 2.372 4.010 0.262 1.00 64.43 H new ATOM 1254 N THR A 84 9.939 5.465 3.910 1.00 3.15 N ATOM 1255 CA THR A 84 11.129 4.991 4.619 1.00 22.40 C ATOM 1256 C THR A 84 11.597 3.603 4.119 1.00 60.54 C ATOM 1257 O THR A 84 11.190 3.167 3.036 1.00 12.34 O ATOM 1258 CB THR A 84 10.976 5.119 6.158 1.00 3.14 C ATOM 1259 OG1 THR A 84 9.685 5.511 6.605 1.00 60.51 O ATOM 1260 CG2 THR A 84 11.972 6.153 6.693 1.00 24.30 C ATOM 0 H THR A 84 10.017 6.439 3.617 1.00 3.15 H new ATOM 0 HA THR A 84 11.955 5.656 4.369 1.00 22.40 H new ATOM 0 HB THR A 84 11.161 4.114 6.538 1.00 3.14 H new ATOM 0 HG1 THR A 84 9.680 5.564 7.584 1.00 60.51 H new ATOM 0 HG21 THR A 84 11.861 6.240 7.774 1.00 24.30 H new ATOM 0 HG22 THR A 84 12.988 5.836 6.457 1.00 24.30 H new ATOM 0 HG23 THR A 84 11.777 7.120 6.230 1.00 24.30 H new ATOM 1268 N TRP A 85 12.515 2.934 4.825 1.00 34.12 N ATOM 1269 CA TRP A 85 12.796 1.522 4.620 1.00 32.24 C ATOM 1270 C TRP A 85 12.068 0.653 5.637 1.00 13.52 C ATOM 1271 O TRP A 85 11.406 -0.313 5.253 1.00 25.22 O ATOM 1272 CB TRP A 85 14.303 1.263 4.691 1.00 0.21 C ATOM 1273 CG TRP A 85 15.100 1.750 3.527 1.00 32.24 C ATOM 1274 CD1 TRP A 85 16.280 2.396 3.615 1.00 0.10 C ATOM 1275 CD2 TRP A 85 14.854 1.536 2.105 1.00 5.52 C ATOM 1276 NE1 TRP A 85 16.768 2.623 2.339 1.00 21.10 N ATOM 1277 CE2 TRP A 85 15.923 2.121 1.369 1.00 42.32 C ATOM 1278 CE3 TRP A 85 13.862 0.867 1.360 1.00 63.11 C ATOM 1279 CZ2 TRP A 85 15.984 2.059 -0.035 1.00 1.30 C ATOM 1280 CZ3 TRP A 85 13.944 0.758 -0.035 1.00 33.44 C ATOM 1281 CH2 TRP A 85 15.001 1.347 -0.741 1.00 55.33 C ATOM 0 H TRP A 85 13.082 3.364 5.555 1.00 34.12 H new ATOM 0 HA TRP A 85 12.433 1.254 3.628 1.00 32.24 H new ATOM 0 HB2 TRP A 85 14.691 1.732 5.595 1.00 0.21 H new ATOM 0 HB3 TRP A 85 14.464 0.190 4.794 1.00 0.21 H new ATOM 0 HD1 TRP A 85 16.767 2.689 4.533 1.00 0.10 H new ATOM 0 HE1 TRP A 85 17.646 3.103 2.140 1.00 21.10 H new ATOM 0 HE3 TRP A 85 13.020 0.429 1.875 1.00 63.11 H new ATOM 0 HZ2 TRP A 85 16.782 2.556 -0.567 1.00 1.30 H new ATOM 0 HZ3 TRP A 85 13.182 0.213 -0.573 1.00 33.44 H new ATOM 0 HH2 TRP A 85 15.059 1.255 -1.815 1.00 55.33 H new ATOM 1292 N ASP A 86 12.212 0.943 6.927 1.00 2.41 N ATOM 1293 CA ASP A 86 11.759 0.019 7.971 1.00 13.31 C ATOM 1294 C ASP A 86 10.239 -0.093 7.999 1.00 15.12 C ATOM 1295 O ASP A 86 9.716 -1.172 8.275 1.00 0.31 O ATOM 1296 CB ASP A 86 12.370 0.409 9.329 1.00 14.15 C ATOM 1297 CG ASP A 86 13.306 -0.674 9.879 1.00 43.13 C ATOM 1298 OD1 ASP A 86 14.020 -1.311 9.073 1.00 55.32 O ATOM 1299 OD2 ASP A 86 13.394 -0.814 11.122 1.00 53.44 O ATOM 0 H ASP A 86 12.635 1.803 7.276 1.00 2.41 H new ATOM 0 HA ASP A 86 12.119 -0.983 7.738 1.00 13.31 H new ATOM 0 HB2 ASP A 86 12.922 1.343 9.222 1.00 14.15 H new ATOM 0 HB3 ASP A 86 11.570 0.592 10.046 1.00 14.15 H new ATOM 1304 N TYR A 87 9.525 0.969 7.618 1.00 51.12 N ATOM 1305 CA TYR A 87 8.081 0.940 7.416 1.00 21.34 C ATOM 1306 C TYR A 87 7.693 0.074 6.207 1.00 41.55 C ATOM 1307 O TYR A 87 6.729 -0.685 6.298 1.00 54.24 O ATOM 1308 CB TYR A 87 7.574 2.379 7.288 1.00 2.42 C ATOM 1309 CG TYR A 87 6.095 2.515 6.981 1.00 1.50 C ATOM 1310 CD1 TYR A 87 5.138 1.831 7.755 1.00 40.11 C ATOM 1311 CD2 TYR A 87 5.675 3.329 5.912 1.00 33.33 C ATOM 1312 CE1 TYR A 87 3.776 1.907 7.419 1.00 23.32 C ATOM 1313 CE2 TYR A 87 4.315 3.413 5.574 1.00 71.21 C ATOM 1314 CZ TYR A 87 3.360 2.670 6.305 1.00 34.31 C ATOM 1315 OH TYR A 87 2.049 2.667 5.926 1.00 13.05 O ATOM 0 H TYR A 87 9.942 1.883 7.440 1.00 51.12 H new ATOM 0 HA TYR A 87 7.603 0.474 8.277 1.00 21.34 H new ATOM 0 HB2 TYR A 87 7.786 2.907 8.218 1.00 2.42 H new ATOM 0 HB3 TYR A 87 8.140 2.879 6.502 1.00 2.42 H new ATOM 0 HD1 TYR A 87 5.451 1.247 8.608 1.00 40.11 H new ATOM 0 HD2 TYR A 87 6.404 3.893 5.348 1.00 33.33 H new ATOM 0 HE1 TYR A 87 3.045 1.380 8.014 1.00 23.32 H new ATOM 0 HE2 TYR A 87 3.999 4.044 4.757 1.00 71.21 H new ATOM 0 HH TYR A 87 1.991 2.723 4.949 1.00 13.05 H new ATOM 1325 N LEU A 88 8.443 0.119 5.093 1.00 1.32 N ATOM 1326 CA LEU A 88 8.157 -0.728 3.931 1.00 32.42 C ATOM 1327 C LEU A 88 8.184 -2.197 4.320 1.00 62.34 C ATOM 1328 O LEU A 88 7.259 -2.931 3.964 1.00 22.34 O ATOM 1329 CB LEU A 88 9.128 -0.511 2.755 1.00 13.22 C ATOM 1330 CG LEU A 88 8.797 0.701 1.881 1.00 53.34 C ATOM 1331 CD1 LEU A 88 9.910 0.919 0.851 1.00 4.21 C ATOM 1332 CD2 LEU A 88 7.461 0.533 1.134 1.00 61.42 C ATOM 0 H LEU A 88 9.249 0.733 4.976 1.00 1.32 H new ATOM 0 HA LEU A 88 7.162 -0.436 3.595 1.00 32.42 H new ATOM 0 HB2 LEU A 88 10.138 -0.395 3.149 1.00 13.22 H new ATOM 0 HB3 LEU A 88 9.130 -1.405 2.131 1.00 13.22 H new ATOM 0 HG LEU A 88 8.712 1.561 2.545 1.00 53.34 H new ATOM 0 HD11 LEU A 88 9.669 1.783 0.232 1.00 4.21 H new ATOM 0 HD12 LEU A 88 10.854 1.095 1.367 1.00 4.21 H new ATOM 0 HD13 LEU A 88 10.000 0.035 0.220 1.00 4.21 H new ATOM 0 HD21 LEU A 88 7.270 1.418 0.527 1.00 61.42 H new ATOM 0 HD22 LEU A 88 7.512 -0.345 0.489 1.00 61.42 H new ATOM 0 HD23 LEU A 88 6.654 0.406 1.856 1.00 61.42 H new ATOM 1344 N TYR A 89 9.236 -2.632 5.012 1.00 33.40 N ATOM 1345 CA TYR A 89 9.312 -4.013 5.467 1.00 12.14 C ATOM 1346 C TYR A 89 8.301 -4.334 6.547 1.00 22.40 C ATOM 1347 O TYR A 89 7.787 -5.448 6.545 1.00 32.43 O ATOM 1348 CB TYR A 89 10.730 -4.374 5.893 1.00 71.42 C ATOM 1349 CG TYR A 89 11.467 -5.005 4.737 1.00 62.11 C ATOM 1350 CD1 TYR A 89 10.966 -6.155 4.103 1.00 0.01 C ATOM 1351 CD2 TYR A 89 12.608 -4.382 4.229 1.00 45.14 C ATOM 1352 CE1 TYR A 89 11.602 -6.649 2.965 1.00 3.24 C ATOM 1353 CE2 TYR A 89 13.296 -4.905 3.126 1.00 34.24 C ATOM 1354 CZ TYR A 89 12.787 -6.053 2.497 1.00 0.52 C ATOM 1355 OH TYR A 89 13.466 -6.621 1.478 1.00 73.21 O ATOM 0 H TYR A 89 10.037 -2.054 5.266 1.00 33.40 H new ATOM 0 HA TYR A 89 9.048 -4.639 4.614 1.00 12.14 H new ATOM 0 HB2 TYR A 89 11.257 -3.481 6.228 1.00 71.42 H new ATOM 0 HB3 TYR A 89 10.701 -5.063 6.737 1.00 71.42 H new ATOM 0 HD1 TYR A 89 10.092 -6.654 4.496 1.00 0.01 H new ATOM 0 HD2 TYR A 89 12.968 -3.477 4.696 1.00 45.14 H new ATOM 0 HE1 TYR A 89 11.182 -7.494 2.440 1.00 3.24 H new ATOM 0 HE2 TYR A 89 14.199 -4.435 2.767 1.00 34.24 H new ATOM 0 HH TYR A 89 13.819 -7.489 1.764 1.00 73.21 H new ATOM 1365 N GLU A 90 7.974 -3.393 7.426 1.00 73.23 N ATOM 1366 CA GLU A 90 6.932 -3.610 8.412 1.00 2.20 C ATOM 1367 C GLU A 90 5.620 -3.962 7.695 1.00 14.41 C ATOM 1368 O GLU A 90 5.044 -5.016 7.962 1.00 20.21 O ATOM 1369 CB GLU A 90 6.847 -2.384 9.329 1.00 53.51 C ATOM 1370 CG GLU A 90 6.027 -2.747 10.568 1.00 75.45 C ATOM 1371 CD GLU A 90 5.985 -1.651 11.630 1.00 53.54 C ATOM 1372 OE1 GLU A 90 5.818 -0.456 11.296 1.00 12.04 O ATOM 1373 OE2 GLU A 90 5.971 -2.012 12.828 1.00 42.41 O ATOM 0 H GLU A 90 8.417 -2.475 7.473 1.00 73.23 H new ATOM 0 HA GLU A 90 7.158 -4.458 9.058 1.00 2.20 H new ATOM 0 HB2 GLU A 90 7.847 -2.061 9.620 1.00 53.51 H new ATOM 0 HB3 GLU A 90 6.384 -1.550 8.801 1.00 53.51 H new ATOM 0 HG2 GLU A 90 5.007 -2.980 10.261 1.00 75.45 H new ATOM 0 HG3 GLU A 90 6.441 -3.653 11.012 1.00 75.45 H new ATOM 1380 N LEU A 91 5.209 -3.161 6.701 1.00 23.34 N ATOM 1381 CA LEU A 91 4.059 -3.471 5.849 1.00 61.43 C ATOM 1382 C LEU A 91 4.223 -4.833 5.168 1.00 55.15 C ATOM 1383 O LEU A 91 3.252 -5.587 5.087 1.00 34.24 O ATOM 1384 CB LEU A 91 3.870 -2.410 4.750 1.00 54.23 C ATOM 1385 CG LEU A 91 3.487 -0.993 5.206 1.00 51.11 C ATOM 1386 CD1 LEU A 91 3.500 -0.081 3.969 1.00 31.22 C ATOM 1387 CD2 LEU A 91 2.107 -0.950 5.865 1.00 23.10 C ATOM 0 H LEU A 91 5.667 -2.280 6.468 1.00 23.34 H new ATOM 0 HA LEU A 91 3.187 -3.484 6.503 1.00 61.43 H new ATOM 0 HB2 LEU A 91 4.797 -2.344 4.180 1.00 54.23 H new ATOM 0 HB3 LEU A 91 3.100 -2.765 4.065 1.00 54.23 H new ATOM 0 HG LEU A 91 4.206 -0.658 5.954 1.00 51.11 H new ATOM 0 HD11 LEU A 91 3.231 0.934 4.262 1.00 31.22 H new ATOM 0 HD12 LEU A 91 4.497 -0.079 3.529 1.00 31.22 H new ATOM 0 HD13 LEU A 91 2.781 -0.450 3.238 1.00 31.22 H new ATOM 0 HD21 LEU A 91 1.881 0.072 6.170 1.00 23.10 H new ATOM 0 HD22 LEU A 91 1.354 -1.292 5.155 1.00 23.10 H new ATOM 0 HD23 LEU A 91 2.101 -1.600 6.740 1.00 23.10 H new ATOM 1399 N ALA A 92 5.428 -5.155 4.674 1.00 14.12 N ATOM 1400 CA ALA A 92 5.691 -6.379 3.919 1.00 12.03 C ATOM 1401 C ALA A 92 5.282 -7.632 4.695 1.00 65.41 C ATOM 1402 O ALA A 92 4.812 -8.581 4.073 1.00 43.01 O ATOM 1403 CB ALA A 92 7.150 -6.480 3.467 1.00 1.45 C ATOM 0 H ALA A 92 6.251 -4.565 4.791 1.00 14.12 H new ATOM 0 HA ALA A 92 5.070 -6.320 3.025 1.00 12.03 H new ATOM 0 HB1 ALA A 92 7.295 -7.406 2.910 1.00 1.45 H new ATOM 0 HB2 ALA A 92 7.393 -5.631 2.828 1.00 1.45 H new ATOM 0 HB3 ALA A 92 7.803 -6.475 4.340 1.00 1.45 H new ATOM 1409 N THR A 93 5.430 -7.635 6.023 1.00 54.03 N ATOM 1410 CA THR A 93 5.053 -8.759 6.882 1.00 3.33 C ATOM 1411 C THR A 93 3.695 -8.556 7.579 1.00 33.20 C ATOM 1412 O THR A 93 3.340 -9.372 8.430 1.00 15.10 O ATOM 1413 CB THR A 93 6.207 -9.100 7.846 1.00 31.23 C ATOM 1414 OG1 THR A 93 5.893 -10.230 8.636 1.00 51.44 O ATOM 1415 CG2 THR A 93 6.599 -7.965 8.780 1.00 71.43 C ATOM 0 H THR A 93 5.820 -6.846 6.538 1.00 54.03 H new ATOM 0 HA THR A 93 4.893 -9.632 6.250 1.00 3.33 H new ATOM 0 HB THR A 93 7.057 -9.300 7.193 1.00 31.23 H new ATOM 0 HG1 THR A 93 4.921 -10.296 8.741 1.00 51.44 H new ATOM 0 HG21 THR A 93 7.417 -8.289 9.423 1.00 71.43 H new ATOM 0 HG22 THR A 93 6.919 -7.104 8.193 1.00 71.43 H new ATOM 0 HG23 THR A 93 5.743 -7.687 9.394 1.00 71.43 H new ATOM 1423 N ARG A 94 2.938 -7.495 7.273 1.00 72.52 N ATOM 1424 CA ARG A 94 1.693 -7.156 7.979 1.00 3.02 C ATOM 1425 C ARG A 94 0.474 -7.090 7.067 1.00 5.23 C ATOM 1426 O ARG A 94 -0.646 -7.141 7.566 1.00 13.43 O ATOM 1427 CB ARG A 94 1.893 -5.843 8.749 1.00 20.32 C ATOM 1428 CG ARG A 94 2.828 -5.977 9.965 1.00 24.14 C ATOM 1429 CD ARG A 94 2.053 -6.194 11.267 1.00 55.14 C ATOM 1430 NE ARG A 94 1.418 -7.520 11.361 1.00 34.15 N ATOM 1431 CZ ARG A 94 0.881 -8.035 12.471 1.00 54.01 C ATOM 1432 NH1 ARG A 94 0.941 -7.375 13.617 1.00 55.53 N ATOM 1433 NH2 ARG A 94 0.310 -9.228 12.434 1.00 11.31 N ATOM 0 H ARG A 94 3.172 -6.843 6.524 1.00 72.52 H new ATOM 0 HA ARG A 94 1.479 -7.965 8.678 1.00 3.02 H new ATOM 0 HB2 ARG A 94 2.298 -5.092 8.071 1.00 20.32 H new ATOM 0 HB3 ARG A 94 0.923 -5.478 9.086 1.00 20.32 H new ATOM 0 HG2 ARG A 94 3.510 -6.812 9.807 1.00 24.14 H new ATOM 0 HG3 ARG A 94 3.439 -5.078 10.053 1.00 24.14 H new ATOM 0 HD2 ARG A 94 2.732 -6.065 12.110 1.00 55.14 H new ATOM 0 HD3 ARG A 94 1.285 -5.425 11.355 1.00 55.14 H new ATOM 0 HE ARG A 94 1.386 -8.088 10.514 1.00 34.15 H new ATOM 0 HH11 ARG A 94 1.400 -6.465 13.658 1.00 55.53 H new ATOM 0 HH12 ARG A 94 0.528 -7.776 14.459 1.00 55.53 H new ATOM 0 HH21 ARG A 94 0.280 -9.752 11.560 1.00 11.31 H new ATOM 0 HH22 ARG A 94 -0.101 -9.623 13.280 1.00 11.31 H new ATOM 1447 N LYS A 95 0.672 -6.997 5.751 1.00 2.40 N ATOM 1448 CA LYS A 95 -0.331 -6.603 4.764 1.00 0.42 C ATOM 1449 C LYS A 95 -1.679 -7.262 4.973 1.00 63.23 C ATOM 1450 O LYS A 95 -2.662 -6.541 5.016 1.00 3.33 O ATOM 1451 CB LYS A 95 0.259 -6.852 3.376 1.00 64.33 C ATOM 1452 CG LYS A 95 -0.696 -6.849 2.163 1.00 4.42 C ATOM 1453 CD LYS A 95 -1.209 -8.229 1.718 1.00 41.23 C ATOM 1454 CE LYS A 95 -0.065 -9.191 1.352 1.00 0.10 C ATOM 1455 NZ LYS A 95 -0.530 -10.571 1.133 1.00 55.03 N ATOM 0 H LYS A 95 1.576 -7.204 5.327 1.00 2.40 H new ATOM 0 HA LYS A 95 -0.554 -5.542 4.880 1.00 0.42 H new ATOM 0 HB2 LYS A 95 1.023 -6.095 3.199 1.00 64.33 H new ATOM 0 HB3 LYS A 95 0.765 -7.817 3.398 1.00 64.33 H new ATOM 0 HG2 LYS A 95 -1.555 -6.221 2.401 1.00 4.42 H new ATOM 0 HG3 LYS A 95 -0.184 -6.383 1.321 1.00 4.42 H new ATOM 0 HD2 LYS A 95 -1.806 -8.667 2.518 1.00 41.23 H new ATOM 0 HD3 LYS A 95 -1.868 -8.109 0.858 1.00 41.23 H new ATOM 0 HE2 LYS A 95 0.431 -8.832 0.450 1.00 0.10 H new ATOM 0 HE3 LYS A 95 0.678 -9.185 2.149 1.00 0.10 H new ATOM 0 HZ1 LYS A 95 0.280 -11.176 0.890 1.00 55.03 H new ATOM 0 HZ2 LYS A 95 -0.980 -10.927 2.000 1.00 55.03 H new ATOM 0 HZ3 LYS A 95 -1.219 -10.586 0.354 1.00 55.03 H new ATOM 1469 N ASP A 96 -1.741 -8.581 5.086 1.00 34.20 N ATOM 1470 CA ASP A 96 -3.000 -9.328 5.213 1.00 42.51 C ATOM 1471 C ASP A 96 -3.824 -8.860 6.416 1.00 32.20 C ATOM 1472 O ASP A 96 -5.030 -8.645 6.299 1.00 12.24 O ATOM 1473 CB ASP A 96 -2.679 -10.816 5.353 1.00 2.22 C ATOM 1474 CG ASP A 96 -3.860 -11.703 5.760 1.00 24.32 C ATOM 1475 OD1 ASP A 96 -4.952 -11.604 5.165 1.00 44.21 O ATOM 1476 OD2 ASP A 96 -3.630 -12.583 6.630 1.00 32.24 O ATOM 0 H ASP A 96 -0.913 -9.176 5.093 1.00 34.20 H new ATOM 0 HA ASP A 96 -3.598 -9.148 4.319 1.00 42.51 H new ATOM 0 HB2 ASP A 96 -2.285 -11.177 4.403 1.00 2.22 H new ATOM 0 HB3 ASP A 96 -1.886 -10.932 6.092 1.00 2.22 H new ATOM 1481 N GLN A 97 -3.185 -8.646 7.571 1.00 73.23 N ATOM 1482 CA GLN A 97 -3.900 -8.237 8.772 1.00 65.33 C ATOM 1483 C GLN A 97 -4.439 -6.817 8.589 1.00 15.10 C ATOM 1484 O GLN A 97 -5.590 -6.541 8.932 1.00 24.33 O ATOM 1485 CB GLN A 97 -2.971 -8.369 9.991 1.00 24.33 C ATOM 1486 CG GLN A 97 -3.596 -7.919 11.323 1.00 62.41 C ATOM 1487 CD GLN A 97 -4.842 -8.703 11.736 1.00 12.42 C ATOM 1488 OE1 GLN A 97 -4.784 -9.582 12.601 1.00 11.45 O ATOM 1489 NE2 GLN A 97 -5.999 -8.382 11.180 1.00 20.21 N ATOM 0 H GLN A 97 -2.178 -8.750 7.694 1.00 73.23 H new ATOM 0 HA GLN A 97 -4.758 -8.886 8.947 1.00 65.33 H new ATOM 0 HB2 GLN A 97 -2.660 -9.410 10.084 1.00 24.33 H new ATOM 0 HB3 GLN A 97 -2.070 -7.782 9.810 1.00 24.33 H new ATOM 0 HG2 GLN A 97 -2.847 -8.010 12.110 1.00 62.41 H new ATOM 0 HG3 GLN A 97 -3.855 -6.863 11.250 1.00 62.41 H new ATOM 0 HE21 GLN A 97 -6.037 -7.654 10.466 1.00 20.21 H new ATOM 0 HE22 GLN A 97 -6.853 -8.862 11.465 1.00 20.21 H new ATOM 1498 N LEU A 98 -3.618 -5.931 8.025 1.00 0.44 N ATOM 1499 CA LEU A 98 -3.962 -4.543 7.723 1.00 21.33 C ATOM 1500 C LEU A 98 -5.043 -4.475 6.644 1.00 71.25 C ATOM 1501 O LEU A 98 -5.848 -3.551 6.618 1.00 14.01 O ATOM 1502 CB LEU A 98 -2.717 -3.795 7.217 1.00 11.40 C ATOM 1503 CG LEU A 98 -1.469 -3.917 8.115 1.00 12.00 C ATOM 1504 CD1 LEU A 98 -0.237 -3.344 7.416 1.00 42.51 C ATOM 1505 CD2 LEU A 98 -1.651 -3.302 9.495 1.00 11.43 C ATOM 0 H LEU A 98 -2.663 -6.169 7.757 1.00 0.44 H new ATOM 0 HA LEU A 98 -4.335 -4.081 8.637 1.00 21.33 H new ATOM 0 HB2 LEU A 98 -2.468 -4.167 6.223 1.00 11.40 H new ATOM 0 HB3 LEU A 98 -2.966 -2.739 7.109 1.00 11.40 H new ATOM 0 HG LEU A 98 -1.317 -4.984 8.280 1.00 12.00 H new ATOM 0 HD11 LEU A 98 0.630 -3.441 8.069 1.00 42.51 H new ATOM 0 HD12 LEU A 98 -0.057 -3.890 6.490 1.00 42.51 H new ATOM 0 HD13 LEU A 98 -0.404 -2.291 7.189 1.00 42.51 H new ATOM 0 HD21 LEU A 98 -0.734 -3.424 10.072 1.00 11.43 H new ATOM 0 HD22 LEU A 98 -1.877 -2.240 9.393 1.00 11.43 H new ATOM 0 HD23 LEU A 98 -2.473 -3.800 10.010 1.00 11.43 H new ATOM 1517 N TRP A 99 -5.055 -5.438 5.726 1.00 60.11 N ATOM 1518 CA TRP A 99 -6.002 -5.545 4.637 1.00 2.40 C ATOM 1519 C TRP A 99 -7.362 -5.927 5.193 1.00 51.33 C ATOM 1520 O TRP A 99 -8.340 -5.235 4.922 1.00 1.22 O ATOM 1521 CB TRP A 99 -5.494 -6.571 3.618 1.00 25.33 C ATOM 1522 CG TRP A 99 -6.353 -6.724 2.414 1.00 12.43 C ATOM 1523 CD1 TRP A 99 -6.998 -7.845 2.025 1.00 61.31 C ATOM 1524 CD2 TRP A 99 -6.649 -5.713 1.417 1.00 71.25 C ATOM 1525 NE1 TRP A 99 -7.678 -7.595 0.851 1.00 55.52 N ATOM 1526 CE2 TRP A 99 -7.469 -6.303 0.412 1.00 40.34 C ATOM 1527 CE3 TRP A 99 -6.276 -4.361 1.262 1.00 44.44 C ATOM 1528 CZ2 TRP A 99 -7.871 -5.584 -0.723 1.00 62.32 C ATOM 1529 CZ3 TRP A 99 -6.650 -3.641 0.111 1.00 3.11 C ATOM 1530 CH2 TRP A 99 -7.431 -4.259 -0.880 1.00 31.41 C ATOM 0 H TRP A 99 -4.371 -6.195 5.728 1.00 60.11 H new ATOM 0 HA TRP A 99 -6.104 -4.588 4.124 1.00 2.40 H new ATOM 0 HB2 TRP A 99 -4.492 -6.282 3.299 1.00 25.33 H new ATOM 0 HB3 TRP A 99 -5.405 -7.539 4.110 1.00 25.33 H new ATOM 0 HD1 TRP A 99 -6.984 -8.789 2.550 1.00 61.31 H new ATOM 0 HE1 TRP A 99 -8.261 -8.278 0.368 1.00 55.52 H new ATOM 0 HE3 TRP A 99 -5.698 -3.874 2.033 1.00 44.44 H new ATOM 0 HZ2 TRP A 99 -8.509 -6.042 -1.465 1.00 62.32 H new ATOM 0 HZ3 TRP A 99 -6.337 -2.615 -0.010 1.00 3.11 H new ATOM 0 HH2 TRP A 99 -7.696 -3.710 -1.772 1.00 31.41 H new ATOM 1541 N ALA A 100 -7.417 -6.992 5.994 1.00 24.23 N ATOM 1542 CA ALA A 100 -8.622 -7.463 6.659 1.00 52.04 C ATOM 1543 C ALA A 100 -9.264 -6.343 7.491 1.00 14.10 C ATOM 1544 O ALA A 100 -10.488 -6.196 7.507 1.00 4.02 O ATOM 1545 CB ALA A 100 -8.232 -8.667 7.521 1.00 45.23 C ATOM 0 H ALA A 100 -6.598 -7.564 6.201 1.00 24.23 H new ATOM 0 HA ALA A 100 -9.373 -7.764 5.928 1.00 52.04 H new ATOM 0 HB1 ALA A 100 -9.114 -9.047 8.036 1.00 45.23 H new ATOM 0 HB2 ALA A 100 -7.817 -9.450 6.886 1.00 45.23 H new ATOM 0 HB3 ALA A 100 -7.486 -8.362 8.256 1.00 45.23 H new ATOM 1551 N ASP A 101 -8.427 -5.538 8.143 1.00 53.22 N ATOM 1552 CA ASP A 101 -8.790 -4.347 8.902 1.00 54.33 C ATOM 1553 C ASP A 101 -9.370 -3.269 7.965 1.00 21.53 C ATOM 1554 O ASP A 101 -10.510 -2.832 8.155 1.00 4.10 O ATOM 1555 CB ASP A 101 -7.520 -3.905 9.646 1.00 3.22 C ATOM 1556 CG ASP A 101 -7.667 -2.796 10.681 1.00 72.41 C ATOM 1557 OD1 ASP A 101 -8.702 -2.098 10.733 1.00 0.33 O ATOM 1558 OD2 ASP A 101 -6.687 -2.616 11.438 1.00 43.43 O ATOM 0 H ASP A 101 -7.422 -5.711 8.155 1.00 53.22 H new ATOM 0 HA ASP A 101 -9.579 -4.539 9.629 1.00 54.33 H new ATOM 0 HB2 ASP A 101 -7.100 -4.778 10.145 1.00 3.22 H new ATOM 0 HB3 ASP A 101 -6.790 -3.580 8.904 1.00 3.22 H new ATOM 1563 N TYR A 102 -8.649 -2.897 6.899 1.00 3.30 N ATOM 1564 CA TYR A 102 -9.101 -1.914 5.912 1.00 53.12 C ATOM 1565 C TYR A 102 -10.373 -2.344 5.174 1.00 20.11 C ATOM 1566 O TYR A 102 -11.093 -1.487 4.653 1.00 21.12 O ATOM 1567 CB TYR A 102 -8.001 -1.663 4.857 1.00 74.12 C ATOM 1568 CG TYR A 102 -7.140 -0.426 5.013 1.00 31.31 C ATOM 1569 CD1 TYR A 102 -7.701 0.798 5.426 1.00 20.33 C ATOM 1570 CD2 TYR A 102 -5.792 -0.468 4.608 1.00 0.50 C ATOM 1571 CE1 TYR A 102 -6.907 1.950 5.487 1.00 0.53 C ATOM 1572 CE2 TYR A 102 -5.009 0.701 4.633 1.00 62.55 C ATOM 1573 CZ TYR A 102 -5.553 1.910 5.109 1.00 65.34 C ATOM 1574 OH TYR A 102 -4.786 3.028 5.194 1.00 64.25 O ATOM 0 H TYR A 102 -7.724 -3.277 6.698 1.00 3.30 H new ATOM 0 HA TYR A 102 -9.320 -1.007 6.476 1.00 53.12 H new ATOM 0 HB2 TYR A 102 -7.342 -2.531 4.848 1.00 74.12 H new ATOM 0 HB3 TYR A 102 -8.480 -1.616 3.879 1.00 74.12 H new ATOM 0 HD1 TYR A 102 -8.745 0.848 5.696 1.00 20.33 H new ATOM 0 HD2 TYR A 102 -5.358 -1.400 4.277 1.00 0.50 H new ATOM 0 HE1 TYR A 102 -7.339 2.879 5.828 1.00 0.53 H new ATOM 0 HE2 TYR A 102 -3.987 0.671 4.286 1.00 62.55 H new ATOM 0 HH TYR A 102 -4.590 3.359 4.293 1.00 64.25 H new ATOM 1584 N LEU A 103 -10.631 -3.645 5.041 1.00 22.14 N ATOM 1585 CA LEU A 103 -11.849 -4.173 4.444 1.00 52.23 C ATOM 1586 C LEU A 103 -13.037 -3.754 5.293 1.00 14.12 C ATOM 1587 O LEU A 103 -14.002 -3.225 4.744 1.00 25.13 O ATOM 1588 CB LEU A 103 -11.776 -5.707 4.302 1.00 23.23 C ATOM 1589 CG LEU A 103 -11.293 -6.292 2.952 1.00 14.11 C ATOM 1590 CD1 LEU A 103 -10.602 -5.303 2.005 1.00 12.04 C ATOM 1591 CD2 LEU A 103 -10.354 -7.481 3.156 1.00 74.51 C ATOM 0 H LEU A 103 -9.985 -4.371 5.352 1.00 22.14 H new ATOM 0 HA LEU A 103 -11.966 -3.765 3.440 1.00 52.23 H new ATOM 0 HB2 LEU A 103 -11.116 -6.083 5.084 1.00 23.23 H new ATOM 0 HB3 LEU A 103 -12.769 -6.108 4.503 1.00 23.23 H new ATOM 0 HG LEU A 103 -12.224 -6.595 2.473 1.00 14.11 H new ATOM 0 HD11 LEU A 103 -10.306 -5.820 1.092 1.00 12.04 H new ATOM 0 HD12 LEU A 103 -11.290 -4.495 1.758 1.00 12.04 H new ATOM 0 HD13 LEU A 103 -9.718 -4.891 2.491 1.00 12.04 H new ATOM 0 HD21 LEU A 103 -10.036 -7.864 2.186 1.00 74.51 H new ATOM 0 HD22 LEU A 103 -9.480 -7.161 3.724 1.00 74.51 H new ATOM 0 HD23 LEU A 103 -10.875 -8.266 3.704 1.00 74.51 H new ATOM 1603 N ALA A 104 -12.981 -3.964 6.608 1.00 43.34 N ATOM 1604 CA ALA A 104 -14.090 -3.637 7.492 1.00 34.23 C ATOM 1605 C ALA A 104 -14.407 -2.142 7.486 1.00 54.33 C ATOM 1606 O ALA A 104 -15.574 -1.774 7.593 1.00 54.53 O ATOM 1607 CB ALA A 104 -13.762 -4.098 8.904 1.00 71.12 C ATOM 0 H ALA A 104 -12.171 -4.362 7.083 1.00 43.34 H new ATOM 0 HA ALA A 104 -14.977 -4.156 7.127 1.00 34.23 H new ATOM 0 HB1 ALA A 104 -14.591 -3.854 9.568 1.00 71.12 H new ATOM 0 HB2 ALA A 104 -13.600 -5.176 8.906 1.00 71.12 H new ATOM 0 HB3 ALA A 104 -12.859 -3.595 9.251 1.00 71.12 H new ATOM 1613 N GLU A 105 -13.392 -1.295 7.316 1.00 51.35 N ATOM 1614 CA GLU A 105 -13.569 0.142 7.165 1.00 11.03 C ATOM 1615 C GLU A 105 -14.398 0.430 5.910 1.00 1.31 C ATOM 1616 O GLU A 105 -15.462 1.043 5.986 1.00 11.42 O ATOM 1617 CB GLU A 105 -12.198 0.818 7.115 1.00 62.42 C ATOM 1618 CG GLU A 105 -11.629 0.998 8.525 1.00 61.11 C ATOM 1619 CD GLU A 105 -11.966 2.377 9.094 1.00 74.13 C ATOM 1620 OE1 GLU A 105 -13.169 2.637 9.331 1.00 20.13 O ATOM 1621 OE2 GLU A 105 -11.018 3.161 9.339 1.00 1.44 O ATOM 0 H GLU A 105 -12.417 -1.593 7.279 1.00 51.35 H new ATOM 0 HA GLU A 105 -14.112 0.549 8.018 1.00 11.03 H new ATOM 0 HB2 GLU A 105 -11.513 0.218 6.516 1.00 62.42 H new ATOM 0 HB3 GLU A 105 -12.284 1.788 6.626 1.00 62.42 H new ATOM 0 HG2 GLU A 105 -12.029 0.225 9.181 1.00 61.11 H new ATOM 0 HG3 GLU A 105 -10.547 0.868 8.501 1.00 61.11 H new ATOM 1628 N LEU A 106 -13.944 -0.054 4.748 1.00 64.12 N ATOM 1629 CA LEU A 106 -14.649 0.115 3.475 1.00 42.41 C ATOM 1630 C LEU A 106 -16.069 -0.453 3.531 1.00 5.25 C ATOM 1631 O LEU A 106 -16.989 0.167 2.999 1.00 51.24 O ATOM 1632 CB LEU A 106 -13.829 -0.521 2.317 1.00 55.04 C ATOM 1633 CG LEU A 106 -13.287 0.454 1.243 1.00 51.12 C ATOM 1634 CD1 LEU A 106 -14.322 1.502 0.892 1.00 74.11 C ATOM 1635 CD2 LEU A 106 -11.990 1.143 1.663 1.00 4.33 C ATOM 0 H LEU A 106 -13.072 -0.577 4.666 1.00 64.12 H new ATOM 0 HA LEU A 106 -14.745 1.184 3.283 1.00 42.41 H new ATOM 0 HB2 LEU A 106 -12.984 -1.057 2.750 1.00 55.04 H new ATOM 0 HB3 LEU A 106 -14.456 -1.262 1.821 1.00 55.04 H new ATOM 0 HG LEU A 106 -13.068 -0.157 0.367 1.00 51.12 H new ATOM 0 HD11 LEU A 106 -13.917 2.174 0.136 1.00 74.11 H new ATOM 0 HD12 LEU A 106 -15.216 1.015 0.503 1.00 74.11 H new ATOM 0 HD13 LEU A 106 -14.579 2.072 1.784 1.00 74.11 H new ATOM 0 HD21 LEU A 106 -11.660 1.813 0.869 1.00 4.33 H new ATOM 0 HD22 LEU A 106 -12.161 1.716 2.574 1.00 4.33 H new ATOM 0 HD23 LEU A 106 -11.222 0.392 1.846 1.00 4.33 H new ATOM 1647 N ALA A 107 -16.252 -1.585 4.211 1.00 2.00 N ATOM 1648 CA ALA A 107 -17.521 -2.285 4.333 1.00 35.12 C ATOM 1649 C ALA A 107 -18.596 -1.391 4.939 1.00 13.03 C ATOM 1650 O ALA A 107 -19.761 -1.446 4.533 1.00 65.11 O ATOM 1651 CB ALA A 107 -17.342 -3.488 5.259 1.00 51.02 C ATOM 0 H ALA A 107 -15.493 -2.052 4.707 1.00 2.00 H new ATOM 0 HA ALA A 107 -17.830 -2.590 3.333 1.00 35.12 H new ATOM 0 HB1 ALA A 107 -18.290 -4.018 5.355 1.00 51.02 H new ATOM 0 HB2 ALA A 107 -16.592 -4.160 4.842 1.00 51.02 H new ATOM 0 HB3 ALA A 107 -17.017 -3.146 6.241 1.00 51.02 H new ATOM 1657 N SER A 108 -18.209 -0.616 5.947 1.00 3.41 N ATOM 1658 CA SER A 108 -19.120 0.059 6.848 1.00 63.13 C ATOM 1659 C SER A 108 -19.156 1.567 6.590 1.00 0.55 C ATOM 1660 O SER A 108 -20.169 2.209 6.886 1.00 3.33 O ATOM 1661 CB SER A 108 -18.663 -0.270 8.264 1.00 2.34 C ATOM 1662 OG SER A 108 -18.660 -1.667 8.496 1.00 14.15 O ATOM 0 H SER A 108 -17.227 -0.439 6.160 1.00 3.41 H new ATOM 0 HA SER A 108 -20.143 -0.284 6.692 1.00 63.13 H new ATOM 0 HB2 SER A 108 -17.662 0.129 8.426 1.00 2.34 H new ATOM 0 HB3 SER A 108 -19.321 0.218 8.983 1.00 2.34 H new ATOM 0 HG SER A 108 -17.765 -2.026 8.321 1.00 14.15 H new ATOM 1668 N ALA A 109 -18.118 2.136 5.965 1.00 3.31 N ATOM 1669 CA ALA A 109 -18.108 3.540 5.560 1.00 74.31 C ATOM 1670 C ALA A 109 -19.096 3.838 4.425 1.00 12.33 C ATOM 1671 O ALA A 109 -19.221 4.995 4.014 1.00 61.13 O ATOM 1672 CB ALA A 109 -16.690 3.965 5.160 1.00 23.52 C ATOM 0 H ALA A 109 -17.263 1.633 5.727 1.00 3.31 H new ATOM 0 HA ALA A 109 -18.434 4.123 6.422 1.00 74.31 H new ATOM 0 HB1 ALA A 109 -16.695 5.013 4.860 1.00 23.52 H new ATOM 0 HB2 ALA A 109 -16.018 3.834 6.008 1.00 23.52 H new ATOM 0 HB3 ALA A 109 -16.347 3.351 4.327 1.00 23.52 H new ATOM 1678 N GLY A 110 -19.762 2.816 3.877 1.00 44.25 N ATOM 1679 CA GLY A 110 -20.638 2.959 2.726 1.00 23.14 C ATOM 1680 C GLY A 110 -19.873 3.549 1.551 1.00 41.04 C ATOM 1681 O GLY A 110 -20.342 4.510 0.938 1.00 21.10 O ATOM 0 H GLY A 110 -19.703 1.860 4.229 1.00 44.25 H new ATOM 0 HA2 GLY A 110 -21.049 1.988 2.450 1.00 23.14 H new ATOM 0 HA3 GLY A 110 -21.481 3.602 2.980 1.00 23.14 H new ATOM 1685 N LYS A 111 -18.657 3.047 1.301 1.00 33.32 N ATOM 1686 CA LYS A 111 -17.888 3.319 0.092 1.00 71.13 C ATOM 1687 C LYS A 111 -17.432 1.967 -0.429 1.00 12.02 C ATOM 1688 O LYS A 111 -17.721 0.942 0.202 1.00 45.42 O ATOM 1689 CB LYS A 111 -16.654 4.192 0.361 1.00 44.54 C ATOM 1690 CG LYS A 111 -16.839 5.338 1.350 1.00 23.22 C ATOM 1691 CD LYS A 111 -17.655 6.457 0.715 1.00 20.50 C ATOM 1692 CE LYS A 111 -18.173 7.357 1.824 1.00 3.43 C ATOM 1693 NZ LYS A 111 -19.585 7.081 2.145 1.00 55.04 N ATOM 0 H LYS A 111 -18.175 2.427 1.952 1.00 33.32 H new ATOM 0 HA LYS A 111 -18.508 3.865 -0.619 1.00 71.13 H new ATOM 0 HB2 LYS A 111 -15.854 3.549 0.728 1.00 44.54 H new ATOM 0 HB3 LYS A 111 -16.317 4.610 -0.588 1.00 44.54 H new ATOM 0 HG2 LYS A 111 -17.342 4.976 2.247 1.00 23.22 H new ATOM 0 HG3 LYS A 111 -15.867 5.719 1.661 1.00 23.22 H new ATOM 0 HD2 LYS A 111 -17.040 7.027 0.019 1.00 20.50 H new ATOM 0 HD3 LYS A 111 -18.485 6.044 0.142 1.00 20.50 H new ATOM 0 HE2 LYS A 111 -17.564 7.218 2.718 1.00 3.43 H new ATOM 0 HE3 LYS A 111 -18.066 8.400 1.524 1.00 3.43 H new ATOM 0 HZ1 LYS A 111 -20.110 7.977 2.200 1.00 55.04 H new ATOM 0 HZ2 LYS A 111 -19.999 6.482 1.403 1.00 55.04 H new ATOM 0 HZ3 LYS A 111 -19.643 6.589 3.059 1.00 55.04 H new ATOM 1707 N SER A 112 -16.641 1.951 -1.497 1.00 63.31 N ATOM 1708 CA SER A 112 -16.021 0.725 -1.950 1.00 41.42 C ATOM 1709 C SER A 112 -14.670 0.965 -2.572 1.00 63.24 C ATOM 1710 O SER A 112 -14.380 2.056 -3.048 1.00 31.21 O ATOM 1711 CB SER A 112 -16.947 0.026 -2.937 1.00 32.43 C ATOM 1712 OG SER A 112 -18.271 -0.075 -2.440 1.00 2.20 O ATOM 0 H SER A 112 -16.419 2.773 -2.059 1.00 63.31 H new ATOM 0 HA SER A 112 -15.859 0.088 -1.081 1.00 41.42 H new ATOM 0 HB2 SER A 112 -16.954 0.574 -3.879 1.00 32.43 H new ATOM 0 HB3 SER A 112 -16.563 -0.971 -3.151 1.00 32.43 H new ATOM 0 HG SER A 112 -18.835 -0.527 -3.101 1.00 2.20 H new ATOM 1718 N ARG A 113 -13.837 -0.074 -2.545 1.00 52.33 N ATOM 1719 CA ARG A 113 -12.603 -0.167 -3.301 1.00 63.13 C ATOM 1720 C ARG A 113 -12.929 0.137 -4.743 1.00 32.52 C ATOM 1721 O ARG A 113 -12.273 0.988 -5.348 1.00 1.11 O ATOM 1722 CB ARG A 113 -12.025 -1.592 -3.175 1.00 75.42 C ATOM 1723 CG ARG A 113 -11.599 -1.888 -1.738 1.00 13.41 C ATOM 1724 CD ARG A 113 -10.206 -2.497 -1.626 1.00 12.51 C ATOM 1725 NE ARG A 113 -9.976 -2.837 -0.222 1.00 14.24 N ATOM 1726 CZ ARG A 113 -9.695 -1.944 0.733 1.00 34.42 C ATOM 1727 NH1 ARG A 113 -9.008 -0.841 0.451 1.00 43.32 N ATOM 1728 NH2 ARG A 113 -10.142 -2.143 1.964 1.00 0.25 N ATOM 0 H ARG A 113 -14.015 -0.900 -1.974 1.00 52.33 H new ATOM 0 HA ARG A 113 -11.862 0.538 -2.924 1.00 63.13 H new ATOM 0 HB2 ARG A 113 -12.771 -2.320 -3.494 1.00 75.42 H new ATOM 0 HB3 ARG A 113 -11.169 -1.701 -3.841 1.00 75.42 H new ATOM 0 HG2 ARG A 113 -11.629 -0.963 -1.161 1.00 13.41 H new ATOM 0 HG3 ARG A 113 -12.321 -2.569 -1.287 1.00 13.41 H new ATOM 0 HD2 ARG A 113 -10.127 -3.386 -2.252 1.00 12.51 H new ATOM 0 HD3 ARG A 113 -9.452 -1.792 -1.976 1.00 12.51 H new ATOM 0 HE ARG A 113 -10.034 -3.819 0.046 1.00 14.24 H new ATOM 0 HH11 ARG A 113 -8.689 -0.669 -0.502 1.00 43.32 H new ATOM 0 HH12 ARG A 113 -8.800 -0.167 1.188 1.00 43.32 H new ATOM 0 HH21 ARG A 113 -10.696 -2.972 2.178 1.00 0.25 H new ATOM 0 HH22 ARG A 113 -9.932 -1.467 2.698 1.00 0.25 H new ATOM 1742 N ASP A 114 -13.881 -0.626 -5.274 1.00 14.33 N ATOM 1743 CA ASP A 114 -14.249 -0.559 -6.681 1.00 32.42 C ATOM 1744 C ASP A 114 -14.813 0.838 -6.922 1.00 60.44 C ATOM 1745 O ASP A 114 -15.507 1.369 -6.050 1.00 3.43 O ATOM 1746 CB ASP A 114 -15.331 -1.584 -7.036 1.00 73.44 C ATOM 1747 CG ASP A 114 -14.867 -2.759 -7.889 1.00 35.43 C ATOM 1748 OD1 ASP A 114 -14.226 -3.669 -7.326 1.00 32.10 O ATOM 1749 OD2 ASP A 114 -15.223 -2.805 -9.091 1.00 4.44 O ATOM 0 H ASP A 114 -14.418 -1.308 -4.738 1.00 14.33 H new ATOM 0 HA ASP A 114 -13.374 -0.772 -7.294 1.00 32.42 H new ATOM 0 HB2 ASP A 114 -15.755 -1.974 -6.111 1.00 73.44 H new ATOM 0 HB3 ASP A 114 -16.135 -1.070 -7.563 1.00 73.44 H new ATOM 1754 N PRO A 115 -14.579 1.421 -8.102 1.00 71.12 N ATOM 1755 CA PRO A 115 -15.085 2.743 -8.414 1.00 13.35 C ATOM 1756 C PRO A 115 -16.597 2.724 -8.603 1.00 12.01 C ATOM 1757 O PRO A 115 -17.241 3.758 -8.421 1.00 40.31 O ATOM 1758 CB PRO A 115 -14.347 3.158 -9.688 1.00 44.43 C ATOM 1759 CG PRO A 115 -14.105 1.817 -10.384 1.00 4.41 C ATOM 1760 CD PRO A 115 -13.858 0.853 -9.228 1.00 23.34 C ATOM 0 HA PRO A 115 -14.910 3.454 -7.607 1.00 13.35 H new ATOM 0 HB2 PRO A 115 -14.945 3.831 -10.302 1.00 44.43 H new ATOM 0 HB3 PRO A 115 -13.413 3.674 -9.466 1.00 44.43 H new ATOM 0 HG2 PRO A 115 -14.965 1.514 -10.982 1.00 4.41 H new ATOM 0 HG3 PRO A 115 -13.249 1.863 -11.057 1.00 4.41 H new ATOM 0 HD2 PRO A 115 -14.221 -0.147 -9.464 1.00 23.34 H new ATOM 0 HD3 PRO A 115 -12.794 0.763 -9.010 1.00 23.34 H new