USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 918 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 24 LYS NZ :NH3+ 143:sc=-0.00238 (180deg=-0.491) USER MOD Set 1.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 172:sc= 1.2 (180deg=-0.128) USER MOD Set 2.2: A 93 TYR OH : rot 3:sc= 0.157! USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0753 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 40:sc= 0.0943 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 27 TYR OH : rot -131:sc= 0.398 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -4.17 K(o=-4.2,f=-2.5) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 159:sc= -3.89! USER MOD Single : A 41 THR OG1 : rot 91:sc= 1.04 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc=-0.00319 X(o=-0.0032,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -111:sc= 1.04 (180deg=-0.0372) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 164:sc= -2.32! USER MOD Single : A 59 SER OG : rot -85:sc= 0.08 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 63 LYS NZ :NH3+ 179:sc=-0.000168 (180deg=-0.00375) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -152:sc= -0.912 (180deg=-2.31!) USER MOD Single : A 68 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.607) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -5.73! C(o=-5.7!,f=-10!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= -0.0834 (180deg=-0.103) USER MOD Single : A 98 MET CE :methyl 167:sc= 0 (180deg=-0.201) USER MOD Single : A 100 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.6) USER MOD Single : A 106 GLN : amide:sc= -11.1! C(o=-11!,f=-11!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.977 -6.700 -31.951 1.00 0.00 N ATOM 2 CA ALA A 1 -5.283 -5.949 -30.873 1.00 0.00 C ATOM 3 C ALA A 1 -5.402 -6.675 -29.537 1.00 0.00 C ATOM 4 O ALA A 1 -6.308 -7.484 -29.337 1.00 0.00 O ATOM 5 CB ALA A 1 -5.852 -4.543 -30.761 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.274 -7.085 -32.614 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.523 -7.481 -31.534 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.620 -6.061 -32.461 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.226 -5.883 -31.131 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.335 -4.003 -29.968 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.714 -4.018 -31.706 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.916 -4.598 -30.529 1.00 0.00 H new ATOM 13 N THR A 2 -4.482 -6.378 -28.624 1.00 0.00 N ATOM 14 CA THR A 2 -4.484 -7.001 -27.306 1.00 0.00 C ATOM 15 C THR A 2 -4.692 -5.960 -26.211 1.00 0.00 C ATOM 16 O THR A 2 -4.036 -4.919 -26.198 1.00 0.00 O ATOM 17 CB THR A 2 -3.170 -7.748 -27.071 1.00 0.00 C ATOM 18 OG1 THR A 2 -2.620 -8.193 -28.299 1.00 0.00 O ATOM 19 CG2 THR A 2 -3.320 -8.956 -26.171 1.00 0.00 C ATOM 0 H THR A 2 -3.726 -5.710 -28.773 1.00 0.00 H new ATOM 0 HA THR A 2 -5.311 -7.711 -27.269 1.00 0.00 H new ATOM 0 HB THR A 2 -2.513 -7.029 -26.581 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.779 -8.667 -28.128 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.351 -9.439 -26.046 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.696 -8.640 -25.198 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.021 -9.659 -26.620 1.00 0.00 H new ATOM 27 N SER A 3 -5.609 -6.250 -25.293 1.00 0.00 N ATOM 28 CA SER A 3 -5.903 -5.338 -24.193 1.00 0.00 C ATOM 29 C SER A 3 -4.745 -5.291 -23.201 1.00 0.00 C ATOM 30 O SER A 3 -4.533 -6.230 -22.434 1.00 0.00 O ATOM 31 CB SER A 3 -7.185 -5.767 -23.478 1.00 0.00 C ATOM 32 OG SER A 3 -8.318 -5.117 -24.027 1.00 0.00 O ATOM 0 H SER A 3 -6.160 -7.108 -25.289 1.00 0.00 H new ATOM 0 HA SER A 3 -6.043 -4.340 -24.608 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.307 -6.847 -23.560 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.108 -5.535 -22.416 1.00 0.00 H new ATOM 0 HG SER A 3 -9.125 -5.410 -23.554 1.00 0.00 H new ATOM 38 N THR A 4 -3.997 -4.193 -23.225 1.00 0.00 N ATOM 39 CA THR A 4 -2.858 -4.023 -22.328 1.00 0.00 C ATOM 40 C THR A 4 -3.187 -3.037 -21.211 1.00 0.00 C ATOM 41 O THR A 4 -3.410 -1.853 -21.462 1.00 0.00 O ATOM 42 CB THR A 4 -1.636 -3.539 -23.109 1.00 0.00 C ATOM 43 OG1 THR A 4 -1.988 -2.491 -23.993 1.00 0.00 O ATOM 44 CG2 THR A 4 -0.979 -4.630 -23.928 1.00 0.00 C ATOM 0 H THR A 4 -4.158 -3.407 -23.855 1.00 0.00 H new ATOM 0 HA THR A 4 -2.633 -4.990 -21.879 1.00 0.00 H new ATOM 0 HB THR A 4 -0.928 -3.197 -22.354 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.625 -1.891 -23.552 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.119 -4.220 -24.457 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.650 -5.432 -23.268 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.695 -5.024 -24.649 1.00 0.00 H new ATOM 52 N LYS A 5 -3.211 -3.534 -19.979 1.00 0.00 N ATOM 53 CA LYS A 5 -3.511 -2.696 -18.823 1.00 0.00 C ATOM 54 C LYS A 5 -2.302 -1.849 -18.439 1.00 0.00 C ATOM 55 O LYS A 5 -1.314 -2.362 -17.913 1.00 0.00 O ATOM 56 CB LYS A 5 -3.944 -3.563 -17.639 1.00 0.00 C ATOM 57 CG LYS A 5 -5.358 -3.280 -17.162 1.00 0.00 C ATOM 58 CD LYS A 5 -5.910 -4.431 -16.337 1.00 0.00 C ATOM 59 CE LYS A 5 -6.745 -3.930 -15.169 1.00 0.00 C ATOM 60 NZ LYS A 5 -7.759 -4.932 -14.742 1.00 0.00 N ATOM 0 H LYS A 5 -3.027 -4.512 -19.755 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.329 -2.026 -19.090 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.868 -4.613 -17.922 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.252 -3.405 -16.812 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.366 -2.367 -16.566 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.005 -3.105 -18.022 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.519 -5.075 -16.971 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.087 -5.039 -15.962 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.091 -3.695 -14.329 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.246 -3.004 -15.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.307 -4.553 -13.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.399 -5.138 -15.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.280 -5.807 -14.448 1.00 0.00 H new ATOM 74 N LYS A 6 -2.388 -0.549 -18.705 1.00 0.00 N ATOM 75 CA LYS A 6 -1.301 0.370 -18.387 1.00 0.00 C ATOM 76 C LYS A 6 -1.750 1.412 -17.369 1.00 0.00 C ATOM 77 O LYS A 6 -2.566 2.283 -17.675 1.00 0.00 O ATOM 78 CB LYS A 6 -0.803 1.062 -19.658 1.00 0.00 C ATOM 79 CG LYS A 6 0.525 1.778 -19.479 1.00 0.00 C ATOM 80 CD LYS A 6 1.676 0.793 -19.351 1.00 0.00 C ATOM 81 CE LYS A 6 2.208 0.380 -20.713 1.00 0.00 C ATOM 82 NZ LYS A 6 3.293 1.286 -21.184 1.00 0.00 N ATOM 0 H LYS A 6 -3.199 -0.109 -19.140 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.485 -0.207 -17.952 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.703 0.320 -20.450 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.553 1.781 -19.988 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.702 2.437 -20.329 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.483 2.408 -18.590 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.479 1.243 -18.767 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.342 -0.090 -18.806 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.585 -0.641 -20.661 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.393 0.382 -21.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.629 0.970 -22.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.927 2.257 -21.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.082 1.264 -20.507 1.00 0.00 H new ATOM 96 N LEU A 7 -1.213 1.319 -16.158 1.00 0.00 N ATOM 97 CA LEU A 7 -1.560 2.255 -15.094 1.00 0.00 C ATOM 98 C LEU A 7 -0.597 3.437 -15.076 1.00 0.00 C ATOM 99 O LEU A 7 0.554 3.321 -15.497 1.00 0.00 O ATOM 100 CB LEU A 7 -1.545 1.548 -13.737 1.00 0.00 C ATOM 101 CG LEU A 7 -0.165 1.090 -13.259 1.00 0.00 C ATOM 102 CD1 LEU A 7 0.450 2.126 -12.330 1.00 0.00 C ATOM 103 CD2 LEU A 7 -0.262 -0.259 -12.564 1.00 0.00 C ATOM 0 H LEU A 7 -0.536 0.606 -15.888 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.565 2.630 -15.288 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.967 2.220 -12.990 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.201 0.679 -13.790 1.00 0.00 H new ATOM 0 HG LEU A 7 0.482 0.983 -14.130 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.431 1.783 -12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.556 3.073 -12.860 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.196 2.266 -11.463 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.729 -0.569 -12.231 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.925 -0.178 -11.703 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.659 -0.999 -13.259 1.00 0.00 H new ATOM 115 N HIS A 8 -1.076 4.575 -14.583 1.00 0.00 N ATOM 116 CA HIS A 8 -0.258 5.781 -14.510 1.00 0.00 C ATOM 117 C HIS A 8 0.414 5.901 -13.145 1.00 0.00 C ATOM 118 O HIS A 8 -0.043 5.318 -12.163 1.00 0.00 O ATOM 119 CB HIS A 8 -1.114 7.019 -14.781 1.00 0.00 C ATOM 120 CG HIS A 8 -1.029 7.508 -16.194 1.00 0.00 C ATOM 121 ND1 HIS A 8 -2.108 7.520 -17.053 1.00 0.00 N ATOM 122 CD2 HIS A 8 0.015 8.005 -16.898 1.00 0.00 C ATOM 123 CE1 HIS A 8 -1.731 8.002 -18.224 1.00 0.00 C ATOM 124 NE2 HIS A 8 -0.448 8.304 -18.156 1.00 0.00 N ATOM 0 H HIS A 8 -2.026 4.687 -14.228 1.00 0.00 H new ATOM 0 HA HIS A 8 0.518 5.711 -15.272 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.154 6.790 -14.546 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.804 7.819 -14.109 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.024 8.141 -16.538 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.365 8.127 -19.089 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.109 8.696 -18.915 1.00 0.00 H new ATOM 133 N LYS A 9 1.501 6.665 -13.093 1.00 0.00 N ATOM 134 CA LYS A 9 2.236 6.864 -11.850 1.00 0.00 C ATOM 135 C LYS A 9 1.760 8.127 -11.139 1.00 0.00 C ATOM 136 O LYS A 9 1.821 9.224 -11.695 1.00 0.00 O ATOM 137 CB LYS A 9 3.738 6.952 -12.131 1.00 0.00 C ATOM 138 CG LYS A 9 4.567 5.963 -11.327 1.00 0.00 C ATOM 139 CD LYS A 9 4.942 6.527 -9.965 1.00 0.00 C ATOM 140 CE LYS A 9 4.163 5.851 -8.847 1.00 0.00 C ATOM 141 NZ LYS A 9 4.723 4.514 -8.511 1.00 0.00 N ATOM 0 H LYS A 9 1.892 7.156 -13.897 1.00 0.00 H new ATOM 0 HA LYS A 9 2.048 6.010 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.911 6.779 -13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.081 7.963 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.006 5.038 -11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.472 5.712 -11.880 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.011 6.394 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.748 7.599 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.178 6.484 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.120 5.743 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.254 4.145 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.563 3.861 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.744 4.600 -8.334 1.00 0.00 H new ATOM 155 N GLU A 10 1.287 7.967 -9.907 1.00 0.00 N ATOM 156 CA GLU A 10 0.800 9.097 -9.126 1.00 0.00 C ATOM 157 C GLU A 10 1.327 9.040 -7.692 1.00 0.00 C ATOM 158 O GLU A 10 0.975 8.138 -6.930 1.00 0.00 O ATOM 159 CB GLU A 10 -0.730 9.113 -9.116 1.00 0.00 C ATOM 160 CG GLU A 10 -1.340 9.623 -10.411 1.00 0.00 C ATOM 161 CD GLU A 10 -1.733 8.502 -11.352 1.00 0.00 C ATOM 162 OE1 GLU A 10 -0.999 7.493 -11.413 1.00 0.00 O ATOM 163 OE2 GLU A 10 -2.775 8.632 -12.028 1.00 0.00 O ATOM 0 H GLU A 10 1.231 7.067 -9.429 1.00 0.00 H new ATOM 0 HA GLU A 10 1.166 10.012 -9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.095 8.104 -8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.073 9.738 -8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.219 10.225 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.627 10.278 -10.911 1.00 0.00 H new ATOM 170 N PRO A 11 2.178 10.007 -7.299 1.00 0.00 N ATOM 171 CA PRO A 11 2.745 10.061 -5.954 1.00 0.00 C ATOM 172 C PRO A 11 1.805 10.727 -4.958 1.00 0.00 C ATOM 173 O PRO A 11 0.967 11.547 -5.332 1.00 0.00 O ATOM 174 CB PRO A 11 3.994 10.909 -6.148 1.00 0.00 C ATOM 175 CG PRO A 11 3.640 11.850 -7.250 1.00 0.00 C ATOM 176 CD PRO A 11 2.652 11.127 -8.135 1.00 0.00 C ATOM 0 HA PRO A 11 2.937 9.069 -5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.255 11.446 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.854 10.294 -6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.205 12.767 -6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.527 12.137 -7.814 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.831 11.779 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.123 10.770 -9.051 1.00 0.00 H new ATOM 184 N ALA A 12 1.954 10.371 -3.691 1.00 0.00 N ATOM 185 CA ALA A 12 1.124 10.934 -2.638 1.00 0.00 C ATOM 186 C ALA A 12 1.710 10.626 -1.268 1.00 0.00 C ATOM 187 O ALA A 12 2.474 9.676 -1.113 1.00 0.00 O ATOM 188 CB ALA A 12 -0.291 10.395 -2.743 1.00 0.00 C ATOM 0 H ALA A 12 2.644 9.693 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 12 1.097 12.017 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.903 10.823 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.712 10.664 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.275 9.310 -2.643 1.00 0.00 H new ATOM 194 N THR A 13 1.353 11.432 -0.273 1.00 0.00 N ATOM 195 CA THR A 13 1.861 11.225 1.075 1.00 0.00 C ATOM 196 C THR A 13 0.991 10.242 1.849 1.00 0.00 C ATOM 197 O THR A 13 -0.118 10.570 2.267 1.00 0.00 O ATOM 198 CB THR A 13 1.931 12.556 1.823 1.00 0.00 C ATOM 199 OG1 THR A 13 2.467 13.571 0.993 1.00 0.00 O ATOM 200 CG2 THR A 13 2.777 12.496 3.077 1.00 0.00 C ATOM 0 H THR A 13 0.721 12.226 -0.374 1.00 0.00 H new ATOM 0 HA THR A 13 2.863 10.803 0.994 1.00 0.00 H new ATOM 0 HB THR A 13 0.903 12.780 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.502 14.415 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.784 13.474 3.559 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.361 11.757 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.797 12.214 2.815 1.00 0.00 H new ATOM 208 N LEU A 14 1.522 9.042 2.053 1.00 0.00 N ATOM 209 CA LEU A 14 0.830 7.997 2.793 1.00 0.00 C ATOM 210 C LEU A 14 1.345 7.960 4.225 1.00 0.00 C ATOM 211 O LEU A 14 2.479 7.550 4.473 1.00 0.00 O ATOM 212 CB LEU A 14 1.046 6.640 2.113 1.00 0.00 C ATOM 213 CG LEU A 14 0.669 5.401 2.939 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.797 5.023 3.885 1.00 0.00 C ATOM 215 CD2 LEU A 14 -0.625 5.625 3.712 1.00 0.00 C ATOM 0 H LEU A 14 2.443 8.768 1.710 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.239 8.211 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.469 6.624 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.097 6.560 1.834 1.00 0.00 H new ATOM 0 HG LEU A 14 0.507 4.576 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.510 4.143 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.696 4.802 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.995 5.852 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.865 4.730 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.502 6.470 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.435 5.835 3.013 1.00 0.00 H new ATOM 227 N ILE A 15 0.525 8.410 5.163 1.00 0.00 N ATOM 228 CA ILE A 15 0.934 8.436 6.558 1.00 0.00 C ATOM 229 C ILE A 15 -0.045 7.705 7.478 1.00 0.00 C ATOM 230 O ILE A 15 0.266 7.455 8.639 1.00 0.00 O ATOM 231 CB ILE A 15 1.108 9.888 7.055 1.00 0.00 C ATOM 232 CG1 ILE A 15 -0.256 10.544 7.281 1.00 0.00 C ATOM 233 CG2 ILE A 15 1.930 10.697 6.062 1.00 0.00 C ATOM 234 CD1 ILE A 15 -0.844 10.242 8.644 1.00 0.00 C ATOM 0 H ILE A 15 -0.417 8.758 4.986 1.00 0.00 H new ATOM 0 HA ILE A 15 1.889 7.912 6.601 1.00 0.00 H new ATOM 0 HB ILE A 15 1.641 9.865 8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.156 11.623 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.948 10.204 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.042 11.717 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.914 10.242 5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.423 10.712 5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.811 10.736 8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.974 9.165 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.171 10.607 9.420 1.00 0.00 H new ATOM 246 N LYS A 16 -1.235 7.387 6.979 1.00 0.00 N ATOM 247 CA LYS A 16 -2.234 6.718 7.806 1.00 0.00 C ATOM 248 C LYS A 16 -2.523 5.297 7.334 1.00 0.00 C ATOM 249 O LYS A 16 -2.923 5.076 6.193 1.00 0.00 O ATOM 250 CB LYS A 16 -3.531 7.529 7.822 1.00 0.00 C ATOM 251 CG LYS A 16 -4.246 7.507 9.162 1.00 0.00 C ATOM 252 CD LYS A 16 -3.756 8.620 10.074 1.00 0.00 C ATOM 253 CE LYS A 16 -4.398 8.535 11.450 1.00 0.00 C ATOM 254 NZ LYS A 16 -3.765 7.485 12.294 1.00 0.00 N ATOM 0 H LYS A 16 -1.529 7.578 6.021 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.823 6.652 8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.307 8.562 7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.202 7.141 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.320 7.611 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.086 6.543 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.672 8.561 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.983 9.587 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.316 9.500 11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.461 8.322 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.231 7.459 13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.866 6.560 11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.756 7.702 12.419 1.00 0.00 H new ATOM 268 N ALA A 17 -2.337 4.340 8.238 1.00 0.00 N ATOM 269 CA ALA A 17 -2.598 2.936 7.938 1.00 0.00 C ATOM 270 C ALA A 17 -3.783 2.434 8.754 1.00 0.00 C ATOM 271 O ALA A 17 -3.663 2.188 9.954 1.00 0.00 O ATOM 272 CB ALA A 17 -1.366 2.093 8.218 1.00 0.00 C ATOM 0 H ALA A 17 -2.005 4.512 9.187 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.841 2.847 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.580 1.049 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.540 2.439 7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.094 2.185 9.269 1.00 0.00 H new ATOM 278 N ILE A 18 -4.932 2.301 8.102 1.00 0.00 N ATOM 279 CA ILE A 18 -6.146 1.850 8.773 1.00 0.00 C ATOM 280 C ILE A 18 -6.004 0.430 9.326 1.00 0.00 C ATOM 281 O ILE A 18 -5.745 0.248 10.516 1.00 0.00 O ATOM 282 CB ILE A 18 -7.367 1.923 7.832 1.00 0.00 C ATOM 283 CG1 ILE A 18 -7.526 3.342 7.283 1.00 0.00 C ATOM 284 CG2 ILE A 18 -8.632 1.489 8.560 1.00 0.00 C ATOM 285 CD1 ILE A 18 -8.336 3.409 6.007 1.00 0.00 C ATOM 0 H ILE A 18 -5.049 2.499 7.108 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.305 2.527 9.612 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.203 1.241 6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.003 3.964 8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.538 3.765 7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.482 1.547 7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.517 0.463 8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.804 2.145 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.408 4.445 5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.848 2.814 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.336 3.017 6.190 1.00 0.00 H new ATOM 297 N ASP A 19 -6.195 -0.575 8.472 1.00 0.00 N ATOM 298 CA ASP A 19 -6.104 -1.967 8.908 1.00 0.00 C ATOM 299 C ASP A 19 -4.987 -2.721 8.190 1.00 0.00 C ATOM 300 O ASP A 19 -5.162 -3.876 7.798 1.00 0.00 O ATOM 301 CB ASP A 19 -7.441 -2.677 8.677 1.00 0.00 C ATOM 302 CG ASP A 19 -8.457 -2.362 9.757 1.00 0.00 C ATOM 303 OD1 ASP A 19 -8.237 -2.770 10.917 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.473 -1.708 9.443 1.00 0.00 O ATOM 0 H ASP A 19 -6.412 -0.453 7.483 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.868 -1.961 9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.843 -2.383 7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.276 -3.754 8.640 1.00 0.00 H new ATOM 309 N GLY A 20 -3.836 -2.076 8.025 1.00 0.00 N ATOM 310 CA GLY A 20 -2.715 -2.722 7.362 1.00 0.00 C ATOM 311 C GLY A 20 -2.803 -2.661 5.847 1.00 0.00 C ATOM 312 O GLY A 20 -1.826 -2.318 5.181 1.00 0.00 O ATOM 0 H GLY A 20 -3.659 -1.121 8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.788 -2.249 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.667 -3.765 7.675 1.00 0.00 H new ATOM 316 N ASP A 21 -3.971 -2.988 5.299 1.00 0.00 N ATOM 317 CA ASP A 21 -4.170 -2.962 3.857 1.00 0.00 C ATOM 318 C ASP A 21 -4.809 -1.645 3.443 1.00 0.00 C ATOM 319 O ASP A 21 -4.425 -1.042 2.440 1.00 0.00 O ATOM 320 CB ASP A 21 -5.051 -4.134 3.417 1.00 0.00 C ATOM 321 CG ASP A 21 -4.522 -5.469 3.902 1.00 0.00 C ATOM 322 OD1 ASP A 21 -3.301 -5.573 4.144 1.00 0.00 O ATOM 323 OD2 ASP A 21 -5.329 -6.414 4.040 1.00 0.00 O ATOM 0 H ASP A 21 -4.792 -3.273 5.833 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.199 -3.055 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.062 -3.987 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.118 -4.146 2.329 1.00 0.00 H new ATOM 328 N THR A 22 -5.772 -1.192 4.237 1.00 0.00 N ATOM 329 CA THR A 22 -6.449 0.067 3.971 1.00 0.00 C ATOM 330 C THR A 22 -5.616 1.224 4.508 1.00 0.00 C ATOM 331 O THR A 22 -5.521 1.422 5.718 1.00 0.00 O ATOM 332 CB THR A 22 -7.838 0.074 4.612 1.00 0.00 C ATOM 333 OG1 THR A 22 -7.810 -0.567 5.876 1.00 0.00 O ATOM 334 CG2 THR A 22 -8.888 -0.619 3.771 1.00 0.00 C ATOM 0 H THR A 22 -6.100 -1.680 5.070 1.00 0.00 H new ATOM 0 HA THR A 22 -6.567 0.182 2.894 1.00 0.00 H new ATOM 0 HB THR A 22 -8.107 1.126 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.707 -0.551 6.271 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.849 -0.578 4.283 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.969 -0.119 2.806 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.603 -1.660 3.618 1.00 0.00 H new ATOM 342 N VAL A 23 -4.995 1.973 3.607 1.00 0.00 N ATOM 343 CA VAL A 23 -4.154 3.093 4.005 1.00 0.00 C ATOM 344 C VAL A 23 -4.638 4.404 3.400 1.00 0.00 C ATOM 345 O VAL A 23 -5.300 4.419 2.365 1.00 0.00 O ATOM 346 CB VAL A 23 -2.691 2.861 3.589 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.128 1.627 4.277 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.577 2.735 2.076 1.00 0.00 C ATOM 0 H VAL A 23 -5.057 1.826 2.600 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.218 3.161 5.091 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.104 3.724 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.093 1.480 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.170 1.762 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.717 0.754 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.535 2.571 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.178 1.892 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.936 3.651 1.607 1.00 0.00 H new ATOM 358 N LYS A 24 -4.294 5.504 4.056 1.00 0.00 N ATOM 359 CA LYS A 24 -4.681 6.827 3.587 1.00 0.00 C ATOM 360 C LYS A 24 -3.458 7.621 3.142 1.00 0.00 C ATOM 361 O LYS A 24 -2.499 7.773 3.898 1.00 0.00 O ATOM 362 CB LYS A 24 -5.427 7.586 4.694 1.00 0.00 C ATOM 363 CG LYS A 24 -4.711 8.844 5.176 1.00 0.00 C ATOM 364 CD LYS A 24 -5.511 9.567 6.249 1.00 0.00 C ATOM 365 CE LYS A 24 -5.033 10.999 6.431 1.00 0.00 C ATOM 366 NZ LYS A 24 -5.670 11.925 5.455 1.00 0.00 N ATOM 0 H LYS A 24 -3.746 5.506 4.917 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.345 6.706 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.416 7.861 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.575 6.917 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.731 8.577 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.544 9.514 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.567 9.566 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.423 9.030 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.257 11.330 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.950 11.038 6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.859 12.838 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.032 12.070 4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.565 11.515 5.120 1.00 0.00 H new ATOM 380 N LEU A 25 -3.505 8.149 1.927 1.00 0.00 N ATOM 381 CA LEU A 25 -2.403 8.950 1.414 1.00 0.00 C ATOM 382 C LEU A 25 -2.931 10.222 0.766 1.00 0.00 C ATOM 383 O LEU A 25 -3.978 10.203 0.124 1.00 0.00 O ATOM 384 CB LEU A 25 -1.549 8.148 0.415 1.00 0.00 C ATOM 385 CG LEU A 25 -2.247 7.626 -0.842 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.726 8.761 -1.737 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.305 6.716 -1.615 1.00 0.00 C ATOM 0 H LEU A 25 -4.288 8.038 1.283 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.764 9.224 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.716 8.777 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.123 7.295 0.944 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.125 7.063 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.216 8.347 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.432 9.384 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.873 9.365 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.808 6.347 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.415 7.275 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.017 5.873 -0.987 1.00 0.00 H new ATOM 399 N MET A 26 -2.203 11.321 0.929 1.00 0.00 N ATOM 400 CA MET A 26 -2.617 12.592 0.341 1.00 0.00 C ATOM 401 C MET A 26 -2.407 12.547 -1.167 1.00 0.00 C ATOM 402 O MET A 26 -1.293 12.726 -1.659 1.00 0.00 O ATOM 403 CB MET A 26 -1.820 13.748 0.951 1.00 0.00 C ATOM 404 CG MET A 26 -2.618 14.575 1.949 1.00 0.00 C ATOM 405 SD MET A 26 -1.733 14.844 3.497 1.00 0.00 S ATOM 406 CE MET A 26 -2.995 14.404 4.690 1.00 0.00 C ATOM 0 H MET A 26 -1.332 11.360 1.458 1.00 0.00 H new ATOM 0 HA MET A 26 -3.674 12.754 0.553 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.936 13.347 1.447 1.00 0.00 H new ATOM 0 HB3 MET A 26 -1.468 14.399 0.150 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.862 15.539 1.503 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.562 14.072 2.158 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.598 14.519 5.699 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.859 15.056 4.563 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.297 13.368 4.535 1.00 0.00 H new ATOM 416 N TYR A 27 -3.487 12.288 -1.892 1.00 0.00 N ATOM 417 CA TYR A 27 -3.436 12.190 -3.344 1.00 0.00 C ATOM 418 C TYR A 27 -3.764 13.528 -4.002 1.00 0.00 C ATOM 419 O TYR A 27 -4.918 13.955 -4.022 1.00 0.00 O ATOM 420 CB TYR A 27 -4.410 11.108 -3.813 1.00 0.00 C ATOM 421 CG TYR A 27 -4.481 10.949 -5.311 1.00 0.00 C ATOM 422 CD1 TYR A 27 -5.322 11.747 -6.071 1.00 0.00 C ATOM 423 CD2 TYR A 27 -3.713 9.992 -5.963 1.00 0.00 C ATOM 424 CE1 TYR A 27 -5.399 11.601 -7.440 1.00 0.00 C ATOM 425 CE2 TYR A 27 -3.780 9.839 -7.334 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.626 10.645 -8.069 1.00 0.00 C ATOM 427 OH TYR A 27 -4.699 10.496 -9.435 1.00 0.00 O ATOM 0 H TYR A 27 -4.415 12.141 -1.495 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.422 11.920 -3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.118 10.155 -3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.405 11.343 -3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.927 12.496 -5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.054 9.358 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.060 12.231 -8.017 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.174 9.094 -7.828 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.823 9.549 -9.655 1.00 0.00 H new ATOM 437 N LYS A 28 -2.736 14.183 -4.538 1.00 0.00 N ATOM 438 CA LYS A 28 -2.909 15.475 -5.198 1.00 0.00 C ATOM 439 C LYS A 28 -3.693 16.437 -4.310 1.00 0.00 C ATOM 440 O LYS A 28 -4.726 16.972 -4.714 1.00 0.00 O ATOM 441 CB LYS A 28 -3.625 15.297 -6.539 1.00 0.00 C ATOM 442 CG LYS A 28 -3.831 16.600 -7.296 1.00 0.00 C ATOM 443 CD LYS A 28 -3.502 16.448 -8.772 1.00 0.00 C ATOM 444 CE LYS A 28 -2.924 17.732 -9.348 1.00 0.00 C ATOM 445 NZ LYS A 28 -3.952 18.528 -10.071 1.00 0.00 N ATOM 0 H LYS A 28 -1.775 13.840 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.921 15.899 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.049 14.612 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.595 14.830 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.865 16.926 -7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.203 17.377 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.789 15.635 -8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.403 16.175 -9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.500 18.332 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.108 17.489 -10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.518 19.395 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.339 17.965 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.719 18.782 -9.416 1.00 0.00 H new ATOM 459 N GLY A 29 -3.200 16.641 -3.094 1.00 0.00 N ATOM 460 CA GLY A 29 -3.873 17.527 -2.163 1.00 0.00 C ATOM 461 C GLY A 29 -5.224 16.986 -1.731 1.00 0.00 C ATOM 462 O GLY A 29 -6.031 17.709 -1.148 1.00 0.00 O ATOM 0 H GLY A 29 -2.348 16.210 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.244 17.673 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.006 18.505 -2.626 1.00 0.00 H new ATOM 466 N GLN A 30 -5.470 15.711 -2.020 1.00 0.00 N ATOM 467 CA GLN A 30 -6.729 15.073 -1.660 1.00 0.00 C ATOM 468 C GLN A 30 -6.483 13.627 -1.217 1.00 0.00 C ATOM 469 O GLN A 30 -6.347 12.730 -2.048 1.00 0.00 O ATOM 470 CB GLN A 30 -7.696 15.146 -2.862 1.00 0.00 C ATOM 471 CG GLN A 30 -8.524 13.890 -3.123 1.00 0.00 C ATOM 472 CD GLN A 30 -7.991 13.072 -4.282 1.00 0.00 C ATOM 473 OE1 GLN A 30 -7.852 13.572 -5.398 1.00 0.00 O ATOM 474 NE2 GLN A 30 -7.692 11.804 -4.024 1.00 0.00 N ATOM 0 H GLN A 30 -4.812 15.100 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.184 15.596 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.378 15.982 -2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.117 15.370 -3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.537 13.274 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.556 14.175 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.823 11.430 -3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.332 11.204 -4.766 1.00 0.00 H new ATOM 483 N PRO A 31 -6.410 13.382 0.105 1.00 0.00 N ATOM 484 CA PRO A 31 -6.171 12.041 0.647 1.00 0.00 C ATOM 485 C PRO A 31 -7.330 11.081 0.396 1.00 0.00 C ATOM 486 O PRO A 31 -8.494 11.478 0.379 1.00 0.00 O ATOM 487 CB PRO A 31 -5.998 12.284 2.149 1.00 0.00 C ATOM 488 CG PRO A 31 -6.713 13.562 2.412 1.00 0.00 C ATOM 489 CD PRO A 31 -6.533 14.390 1.172 1.00 0.00 C ATOM 0 HA PRO A 31 -5.311 11.569 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.421 11.467 2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.945 12.357 2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.769 13.385 2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.301 14.069 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.382 15.052 1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.646 15.020 1.234 1.00 0.00 H new ATOM 497 N MET A 32 -6.992 9.810 0.199 1.00 0.00 N ATOM 498 CA MET A 32 -7.985 8.770 -0.054 1.00 0.00 C ATOM 499 C MET A 32 -7.546 7.452 0.575 1.00 0.00 C ATOM 500 O MET A 32 -6.371 7.262 0.880 1.00 0.00 O ATOM 501 CB MET A 32 -8.182 8.587 -1.560 1.00 0.00 C ATOM 502 CG MET A 32 -9.134 9.599 -2.177 1.00 0.00 C ATOM 503 SD MET A 32 -10.867 9.183 -1.906 1.00 0.00 S ATOM 504 CE MET A 32 -11.665 10.687 -2.459 1.00 0.00 C ATOM 0 H MET A 32 -6.029 9.473 0.210 1.00 0.00 H new ATOM 0 HA MET A 32 -8.930 9.076 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.214 8.662 -2.056 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.561 7.582 -1.749 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.932 10.584 -1.757 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.944 9.664 -3.248 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.745 10.586 -2.353 1.00 0.00 H new ATOM 0 HE2 MET A 32 -11.318 11.526 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 32 -11.418 10.866 -3.505 1.00 0.00 H new ATOM 514 N THR A 33 -8.495 6.542 0.762 1.00 0.00 N ATOM 515 CA THR A 33 -8.193 5.244 1.348 1.00 0.00 C ATOM 516 C THR A 33 -7.864 4.232 0.260 1.00 0.00 C ATOM 517 O THR A 33 -8.639 4.038 -0.676 1.00 0.00 O ATOM 518 CB THR A 33 -9.373 4.743 2.180 1.00 0.00 C ATOM 519 OG1 THR A 33 -10.583 4.860 1.456 1.00 0.00 O ATOM 520 CG2 THR A 33 -9.544 5.485 3.487 1.00 0.00 C ATOM 0 H THR A 33 -9.476 6.679 0.517 1.00 0.00 H new ATOM 0 HA THR A 33 -7.326 5.359 1.999 1.00 0.00 H new ATOM 0 HB THR A 33 -9.146 3.700 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.251 4.252 1.835 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.399 5.079 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.645 5.369 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.712 6.543 3.286 1.00 0.00 H new ATOM 528 N PHE A 34 -6.709 3.591 0.384 1.00 0.00 N ATOM 529 CA PHE A 34 -6.282 2.603 -0.594 1.00 0.00 C ATOM 530 C PHE A 34 -6.290 1.202 0.009 1.00 0.00 C ATOM 531 O PHE A 34 -5.662 0.950 1.036 1.00 0.00 O ATOM 532 CB PHE A 34 -4.891 2.944 -1.125 1.00 0.00 C ATOM 533 CG PHE A 34 -4.815 4.316 -1.721 1.00 0.00 C ATOM 534 CD1 PHE A 34 -5.011 5.436 -0.930 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.555 4.486 -3.071 1.00 0.00 C ATOM 536 CE1 PHE A 34 -4.947 6.699 -1.473 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.489 5.753 -3.619 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.685 6.860 -2.813 1.00 0.00 C ATOM 0 H PHE A 34 -6.053 3.738 1.151 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.988 2.621 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.168 2.866 -0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.605 2.210 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.216 5.317 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.403 3.622 -3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.103 7.564 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.285 5.878 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.632 7.852 -3.237 1.00 0.00 H new ATOM 548 N ARG A 35 -7.019 0.301 -0.638 1.00 0.00 N ATOM 549 CA ARG A 35 -7.137 -1.075 -0.176 1.00 0.00 C ATOM 550 C ARG A 35 -6.380 -2.033 -1.096 1.00 0.00 C ATOM 551 O ARG A 35 -6.890 -2.429 -2.143 1.00 0.00 O ATOM 552 CB ARG A 35 -8.617 -1.455 -0.118 1.00 0.00 C ATOM 553 CG ARG A 35 -8.877 -2.952 -0.007 1.00 0.00 C ATOM 554 CD ARG A 35 -9.538 -3.500 -1.263 1.00 0.00 C ATOM 555 NE ARG A 35 -9.502 -4.959 -1.309 1.00 0.00 N ATOM 556 CZ ARG A 35 -10.298 -5.743 -0.584 1.00 0.00 C ATOM 557 NH1 ARG A 35 -11.188 -5.213 0.246 1.00 0.00 N ATOM 558 NH2 ARG A 35 -10.204 -7.061 -0.690 1.00 0.00 N ATOM 0 H ARG A 35 -7.541 0.502 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.695 -1.154 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.075 -0.954 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.112 -1.078 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.936 -3.474 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.514 -3.148 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.573 -3.162 -1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.035 -3.097 -2.142 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.828 -5.404 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.265 -4.200 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.795 -5.819 0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.522 -7.474 -1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.813 -7.662 -0.135 1.00 0.00 H new ATOM 572 N LEU A 36 -5.167 -2.412 -0.692 1.00 0.00 N ATOM 573 CA LEU A 36 -4.348 -3.337 -1.478 1.00 0.00 C ATOM 574 C LEU A 36 -2.926 -3.411 -0.938 1.00 0.00 C ATOM 575 O LEU A 36 -2.419 -2.454 -0.354 1.00 0.00 O ATOM 576 CB LEU A 36 -4.315 -2.926 -2.955 1.00 0.00 C ATOM 577 CG LEU A 36 -4.719 -4.027 -3.941 1.00 0.00 C ATOM 578 CD1 LEU A 36 -6.138 -3.803 -4.442 1.00 0.00 C ATOM 579 CD2 LEU A 36 -3.743 -4.085 -5.108 1.00 0.00 C ATOM 0 H LEU A 36 -4.730 -2.094 0.173 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.806 -4.322 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.979 -2.073 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.308 -2.590 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.687 -4.983 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.406 -4.595 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.828 -3.815 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.198 -2.839 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.047 -4.873 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.742 -3.128 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.741 -4.296 -4.734 1.00 0.00 H new ATOM 591 N LEU A 37 -2.287 -4.557 -1.146 1.00 0.00 N ATOM 592 CA LEU A 37 -0.918 -4.771 -0.692 1.00 0.00 C ATOM 593 C LEU A 37 -0.434 -6.167 -1.082 1.00 0.00 C ATOM 594 O LEU A 37 0.259 -6.835 -0.316 1.00 0.00 O ATOM 595 CB LEU A 37 -0.824 -4.578 0.825 1.00 0.00 C ATOM 596 CG LEU A 37 -0.189 -3.255 1.267 1.00 0.00 C ATOM 597 CD1 LEU A 37 -1.175 -2.428 2.078 1.00 0.00 C ATOM 598 CD2 LEU A 37 1.077 -3.509 2.069 1.00 0.00 C ATOM 0 H LEU A 37 -2.698 -5.356 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.275 -4.037 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.826 -4.643 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.246 -5.401 1.247 1.00 0.00 H new ATOM 0 HG LEU A 37 0.077 -2.691 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.703 -1.493 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.054 -2.210 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.476 -2.987 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.512 -2.557 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.835 -4.097 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.793 -4.056 1.455 1.00 0.00 H new ATOM 610 N LEU A 38 -0.806 -6.595 -2.285 1.00 0.00 N ATOM 611 CA LEU A 38 -0.416 -7.906 -2.792 1.00 0.00 C ATOM 612 C LEU A 38 -1.012 -9.030 -1.935 1.00 0.00 C ATOM 613 O LEU A 38 -2.197 -9.339 -2.056 1.00 0.00 O ATOM 614 CB LEU A 38 1.111 -8.015 -2.863 1.00 0.00 C ATOM 615 CG LEU A 38 1.644 -9.374 -3.325 1.00 0.00 C ATOM 616 CD1 LEU A 38 1.834 -9.386 -4.834 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.950 -9.702 -2.618 1.00 0.00 C ATOM 0 H LEU A 38 -1.379 -6.050 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.815 -8.017 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.484 -7.247 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.522 -7.797 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 38 0.912 -10.139 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.213 -10.359 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.878 -9.196 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.547 -8.611 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.315 -10.671 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.690 -8.935 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.783 -9.735 -1.541 1.00 0.00 H new ATOM 629 N VAL A 39 -0.196 -9.640 -1.072 1.00 0.00 N ATOM 630 CA VAL A 39 -0.670 -10.722 -0.216 1.00 0.00 C ATOM 631 C VAL A 39 -0.036 -10.646 1.170 1.00 0.00 C ATOM 632 O VAL A 39 1.155 -10.364 1.306 1.00 0.00 O ATOM 633 CB VAL A 39 -0.371 -12.101 -0.837 1.00 0.00 C ATOM 634 CG1 VAL A 39 1.128 -12.301 -1.003 1.00 0.00 C ATOM 635 CG2 VAL A 39 -0.973 -13.212 0.011 1.00 0.00 C ATOM 0 H VAL A 39 0.789 -9.403 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.749 -10.603 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.830 -12.139 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.318 -13.280 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.528 -11.526 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.613 -12.240 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.751 -14.178 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.546 -13.176 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.053 -13.079 0.071 1.00 0.00 H new ATOM 645 N ASP A 40 -0.841 -10.902 2.197 1.00 0.00 N ATOM 646 CA ASP A 40 -0.358 -10.867 3.573 1.00 0.00 C ATOM 647 C ASP A 40 -0.906 -12.047 4.375 1.00 0.00 C ATOM 648 O ASP A 40 -1.639 -11.862 5.345 1.00 0.00 O ATOM 649 CB ASP A 40 -0.760 -9.549 4.241 1.00 0.00 C ATOM 650 CG ASP A 40 -0.030 -8.358 3.653 1.00 0.00 C ATOM 651 OD1 ASP A 40 1.171 -8.493 3.339 1.00 0.00 O ATOM 652 OD2 ASP A 40 -0.659 -7.289 3.507 1.00 0.00 O ATOM 0 H ASP A 40 -1.829 -11.136 2.102 1.00 0.00 H new ATOM 0 HA ASP A 40 0.729 -10.941 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.835 -9.403 4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.552 -9.608 5.309 1.00 0.00 H new ATOM 657 N THR A 41 -0.544 -13.259 3.963 1.00 0.00 N ATOM 658 CA THR A 41 -0.998 -14.468 4.642 1.00 0.00 C ATOM 659 C THR A 41 -0.221 -14.684 5.939 1.00 0.00 C ATOM 660 O THR A 41 0.974 -14.978 5.911 1.00 0.00 O ATOM 661 CB THR A 41 -0.828 -15.677 3.721 1.00 0.00 C ATOM 662 OG1 THR A 41 0.539 -15.879 3.408 1.00 0.00 O ATOM 663 CG2 THR A 41 -1.582 -15.541 2.415 1.00 0.00 C ATOM 0 H THR A 41 0.063 -13.429 3.161 1.00 0.00 H new ATOM 0 HA THR A 41 -2.053 -14.351 4.889 1.00 0.00 H new ATOM 0 HB THR A 41 -1.236 -16.524 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.940 -16.482 4.068 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.420 -16.431 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.647 -15.430 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.222 -14.664 1.877 1.00 0.00 H new ATOM 671 N PRO A 42 -0.884 -14.528 7.101 1.00 0.00 N ATOM 672 CA PRO A 42 -0.242 -14.693 8.407 1.00 0.00 C ATOM 673 C PRO A 42 0.110 -16.144 8.717 1.00 0.00 C ATOM 674 O PRO A 42 -0.771 -16.979 8.916 1.00 0.00 O ATOM 675 CB PRO A 42 -1.292 -14.181 9.409 1.00 0.00 C ATOM 676 CG PRO A 42 -2.334 -13.499 8.586 1.00 0.00 C ATOM 677 CD PRO A 42 -2.300 -14.162 7.241 1.00 0.00 C ATOM 0 HA PRO A 42 0.705 -14.154 8.447 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.721 -15.003 9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.846 -13.492 10.126 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.318 -13.597 9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.127 -12.432 8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.950 -15.036 7.203 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.625 -13.488 6.448 1.00 0.00 H new ATOM 685 N GLU A 43 1.408 -16.429 8.779 1.00 0.00 N ATOM 686 CA GLU A 43 1.895 -17.773 9.089 1.00 0.00 C ATOM 687 C GLU A 43 1.674 -18.753 7.937 1.00 0.00 C ATOM 688 O GLU A 43 2.596 -19.466 7.540 1.00 0.00 O ATOM 689 CB GLU A 43 1.219 -18.304 10.357 1.00 0.00 C ATOM 690 CG GLU A 43 2.157 -19.082 11.265 1.00 0.00 C ATOM 691 CD GLU A 43 2.102 -20.577 11.018 1.00 0.00 C ATOM 692 OE1 GLU A 43 0.982 -21.115 10.886 1.00 0.00 O ATOM 693 OE2 GLU A 43 3.177 -21.209 10.954 1.00 0.00 O ATOM 0 H GLU A 43 2.146 -15.744 8.618 1.00 0.00 H new ATOM 0 HA GLU A 43 2.970 -17.692 9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.800 -17.466 10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.386 -18.947 10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.177 -18.730 11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.901 -18.880 12.305 1.00 0.00 H new ATOM 700 N THR A 44 0.453 -18.802 7.412 1.00 0.00 N ATOM 701 CA THR A 44 0.136 -19.717 6.321 1.00 0.00 C ATOM 702 C THR A 44 0.475 -19.105 4.968 1.00 0.00 C ATOM 703 O THR A 44 0.462 -17.886 4.807 1.00 0.00 O ATOM 704 CB THR A 44 -1.344 -20.097 6.363 1.00 0.00 C ATOM 705 OG1 THR A 44 -1.866 -19.940 7.671 1.00 0.00 O ATOM 706 CG2 THR A 44 -1.607 -21.525 5.933 1.00 0.00 C ATOM 0 H THR A 44 -0.328 -18.223 7.722 1.00 0.00 H new ATOM 0 HA THR A 44 0.743 -20.613 6.451 1.00 0.00 H new ATOM 0 HB THR A 44 -1.835 -19.425 5.659 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.814 -20.187 7.676 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.676 -21.730 5.986 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.261 -21.666 4.909 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.074 -22.208 6.594 1.00 0.00 H new ATOM 714 N LYS A 45 0.770 -19.963 3.998 1.00 0.00 N ATOM 715 CA LYS A 45 1.101 -19.513 2.652 1.00 0.00 C ATOM 716 C LYS A 45 -0.105 -19.648 1.722 1.00 0.00 C ATOM 717 O LYS A 45 -0.035 -19.295 0.545 1.00 0.00 O ATOM 718 CB LYS A 45 2.284 -20.313 2.100 1.00 0.00 C ATOM 719 CG LYS A 45 3.417 -19.440 1.579 1.00 0.00 C ATOM 720 CD LYS A 45 4.772 -20.100 1.789 1.00 0.00 C ATOM 721 CE LYS A 45 5.752 -19.155 2.466 1.00 0.00 C ATOM 722 NZ LYS A 45 7.143 -19.688 2.441 1.00 0.00 N ATOM 0 H LYS A 45 0.787 -20.976 4.119 1.00 0.00 H new ATOM 0 HA LYS A 45 1.379 -18.460 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.669 -20.965 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.932 -20.957 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.268 -19.244 0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.398 -18.476 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.651 -20.997 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.176 -20.418 0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.725 -18.186 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.444 -18.991 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.781 -19.015 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.174 -20.601 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.446 -19.821 1.455 1.00 0.00 H new ATOM 736 N HIS A 46 -1.214 -20.154 2.260 1.00 0.00 N ATOM 737 CA HIS A 46 -2.434 -20.326 1.484 1.00 0.00 C ATOM 738 C HIS A 46 -3.054 -18.967 1.173 1.00 0.00 C ATOM 739 O HIS A 46 -2.607 -17.947 1.695 1.00 0.00 O ATOM 740 CB HIS A 46 -3.429 -21.197 2.256 1.00 0.00 C ATOM 741 CG HIS A 46 -3.126 -22.661 2.181 1.00 0.00 C ATOM 742 ND1 HIS A 46 -4.030 -23.637 2.544 1.00 0.00 N ATOM 743 CD2 HIS A 46 -2.009 -23.317 1.783 1.00 0.00 C ATOM 744 CE1 HIS A 46 -3.484 -24.828 2.373 1.00 0.00 C ATOM 745 NE2 HIS A 46 -2.259 -24.661 1.912 1.00 0.00 N ATOM 0 H HIS A 46 -1.289 -20.452 3.233 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.188 -20.822 0.545 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.435 -20.889 3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.432 -21.021 1.866 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.093 -22.867 1.430 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.959 -25.776 2.576 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.603 -25.410 1.688 1.00 0.00 H new ATOM 754 N PRO A 47 -4.085 -18.925 0.313 1.00 0.00 N ATOM 755 CA PRO A 47 -4.750 -17.672 -0.067 1.00 0.00 C ATOM 756 C PRO A 47 -5.522 -17.028 1.088 1.00 0.00 C ATOM 757 O PRO A 47 -6.670 -16.617 0.919 1.00 0.00 O ATOM 758 CB PRO A 47 -5.720 -18.094 -1.182 1.00 0.00 C ATOM 759 CG PRO A 47 -5.288 -19.461 -1.592 1.00 0.00 C ATOM 760 CD PRO A 47 -4.675 -20.083 -0.372 1.00 0.00 C ATOM 0 HA PRO A 47 -4.024 -16.919 -0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.750 -18.099 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.677 -17.401 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.135 -20.048 -1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.569 -19.414 -2.410 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.420 -20.584 0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.923 -20.828 -0.631 1.00 0.00 H new ATOM 768 N LYS A 48 -4.888 -16.930 2.255 1.00 0.00 N ATOM 769 CA LYS A 48 -5.523 -16.323 3.420 1.00 0.00 C ATOM 770 C LYS A 48 -4.623 -15.250 4.028 1.00 0.00 C ATOM 771 O LYS A 48 -3.732 -15.553 4.820 1.00 0.00 O ATOM 772 CB LYS A 48 -5.846 -17.393 4.466 1.00 0.00 C ATOM 773 CG LYS A 48 -7.332 -17.697 4.585 1.00 0.00 C ATOM 774 CD LYS A 48 -7.667 -19.080 4.049 1.00 0.00 C ATOM 775 CE LYS A 48 -8.252 -19.008 2.648 1.00 0.00 C ATOM 776 NZ LYS A 48 -9.083 -20.201 2.330 1.00 0.00 N ATOM 0 H LYS A 48 -3.938 -17.263 2.417 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.452 -15.853 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.315 -18.310 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.471 -17.066 5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.635 -17.628 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.902 -16.946 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.767 -19.695 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.377 -19.568 4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.859 -18.108 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.444 -18.925 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.463 -20.112 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.498 -21.059 2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.869 -20.267 3.007 1.00 0.00 H new ATOM 790 N LYS A 49 -4.869 -14.000 3.651 1.00 0.00 N ATOM 791 CA LYS A 49 -4.095 -12.870 4.147 1.00 0.00 C ATOM 792 C LYS A 49 -4.611 -12.407 5.504 1.00 0.00 C ATOM 793 O LYS A 49 -5.480 -13.041 6.102 1.00 0.00 O ATOM 794 CB LYS A 49 -4.145 -11.713 3.147 1.00 0.00 C ATOM 795 CG LYS A 49 -5.536 -11.125 2.964 1.00 0.00 C ATOM 796 CD LYS A 49 -5.492 -9.607 2.861 1.00 0.00 C ATOM 797 CE LYS A 49 -6.312 -9.102 1.685 1.00 0.00 C ATOM 798 NZ LYS A 49 -6.672 -7.665 1.833 1.00 0.00 N ATOM 0 H LYS A 49 -5.607 -13.743 2.996 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.062 -13.195 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.468 -10.926 3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.777 -12.062 2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.991 -11.539 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.168 -11.415 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.870 -9.168 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.458 -9.279 2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.748 -9.241 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.221 -9.696 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.696 -7.578 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.158 -7.260 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.414 -7.151 0.966 1.00 0.00 H new ATOM 812 N GLY A 50 -4.067 -11.295 5.984 1.00 0.00 N ATOM 813 CA GLY A 50 -4.479 -10.761 7.267 1.00 0.00 C ATOM 814 C GLY A 50 -3.377 -9.972 7.945 1.00 0.00 C ATOM 815 O GLY A 50 -2.865 -9.002 7.386 1.00 0.00 O ATOM 0 H GLY A 50 -3.347 -10.753 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.349 -10.119 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.788 -11.580 7.916 1.00 0.00 H new ATOM 819 N VAL A 51 -3.014 -10.389 9.152 1.00 0.00 N ATOM 820 CA VAL A 51 -1.965 -9.716 9.908 1.00 0.00 C ATOM 821 C VAL A 51 -0.824 -10.670 10.249 1.00 0.00 C ATOM 822 O VAL A 51 -0.804 -11.273 11.324 1.00 0.00 O ATOM 823 CB VAL A 51 -2.522 -9.098 11.208 1.00 0.00 C ATOM 824 CG1 VAL A 51 -3.146 -10.168 12.093 1.00 0.00 C ATOM 825 CG2 VAL A 51 -1.431 -8.344 11.958 1.00 0.00 C ATOM 0 H VAL A 51 -3.430 -11.189 9.628 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.579 -8.919 9.273 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.302 -8.386 10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.531 -9.708 13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.962 -10.653 11.557 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.392 -10.910 12.353 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.846 -7.917 12.871 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.624 -9.031 12.213 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.042 -7.545 11.327 1.00 0.00 H new ATOM 835 N GLU A 52 0.130 -10.802 9.332 1.00 0.00 N ATOM 836 CA GLU A 52 1.275 -11.681 9.547 1.00 0.00 C ATOM 837 C GLU A 52 2.034 -11.285 10.809 1.00 0.00 C ATOM 838 O GLU A 52 1.756 -10.247 11.411 1.00 0.00 O ATOM 839 CB GLU A 52 2.210 -11.642 8.338 1.00 0.00 C ATOM 840 CG GLU A 52 2.818 -12.992 7.995 1.00 0.00 C ATOM 841 CD GLU A 52 4.274 -12.889 7.590 1.00 0.00 C ATOM 842 OE1 GLU A 52 5.138 -12.818 8.489 1.00 0.00 O ATOM 843 OE2 GLU A 52 4.552 -12.881 6.373 1.00 0.00 O ATOM 0 H GLU A 52 0.133 -10.314 8.436 1.00 0.00 H new ATOM 0 HA GLU A 52 0.903 -12.698 9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.658 -11.272 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.012 -10.930 8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.730 -13.655 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.250 -13.446 7.183 1.00 0.00 H new ATOM 850 N LYS A 53 2.987 -12.121 11.211 1.00 0.00 N ATOM 851 CA LYS A 53 3.775 -11.855 12.410 1.00 0.00 C ATOM 852 C LYS A 53 4.864 -10.820 12.141 1.00 0.00 C ATOM 853 O LYS A 53 5.984 -11.164 11.765 1.00 0.00 O ATOM 854 CB LYS A 53 4.403 -13.151 12.926 1.00 0.00 C ATOM 855 CG LYS A 53 3.382 -14.208 13.316 1.00 0.00 C ATOM 856 CD LYS A 53 3.871 -15.056 14.480 1.00 0.00 C ATOM 857 CE LYS A 53 2.754 -15.338 15.472 1.00 0.00 C ATOM 858 NZ LYS A 53 2.906 -16.671 16.118 1.00 0.00 N ATOM 0 H LYS A 53 3.231 -12.985 10.726 1.00 0.00 H new ATOM 0 HA LYS A 53 3.104 -11.452 13.169 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.060 -13.558 12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.027 -12.924 13.790 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.443 -13.725 13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.176 -14.849 12.459 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.270 -15.997 14.103 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.688 -14.543 14.987 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.745 -14.563 16.238 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.793 -15.291 14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.124 -16.824 16.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.889 -17.414 15.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.811 -16.708 16.629 1.00 0.00 H new ATOM 872 N TYR A 54 4.526 -9.552 12.350 1.00 0.00 N ATOM 873 CA TYR A 54 5.472 -8.459 12.145 1.00 0.00 C ATOM 874 C TYR A 54 5.404 -7.461 13.296 1.00 0.00 C ATOM 875 O TYR A 54 6.415 -6.875 13.685 1.00 0.00 O ATOM 876 CB TYR A 54 5.177 -7.745 10.828 1.00 0.00 C ATOM 877 CG TYR A 54 3.781 -7.176 10.761 1.00 0.00 C ATOM 878 CD1 TYR A 54 3.465 -5.996 11.415 1.00 0.00 C ATOM 879 CD2 TYR A 54 2.780 -7.828 10.060 1.00 0.00 C ATOM 880 CE1 TYR A 54 2.186 -5.477 11.374 1.00 0.00 C ATOM 881 CE2 TYR A 54 1.497 -7.317 10.007 1.00 0.00 C ATOM 882 CZ TYR A 54 1.205 -6.142 10.668 1.00 0.00 C ATOM 883 OH TYR A 54 -0.074 -5.633 10.625 1.00 0.00 O ATOM 0 H TYR A 54 3.602 -9.254 12.662 1.00 0.00 H new ATOM 0 HA TYR A 54 6.476 -8.882 12.108 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.898 -6.939 10.689 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.318 -8.444 10.004 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.232 -5.473 11.966 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.006 -8.751 9.546 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.955 -4.557 11.891 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.728 -7.834 9.452 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.573 -6.063 9.899 1.00 0.00 H new ATOM 893 N GLY A 55 4.203 -7.270 13.837 1.00 0.00 N ATOM 894 CA GLY A 55 4.021 -6.343 14.937 1.00 0.00 C ATOM 895 C GLY A 55 3.611 -4.955 14.474 1.00 0.00 C ATOM 896 O GLY A 55 2.492 -4.763 14.000 1.00 0.00 O ATOM 0 H GLY A 55 3.352 -7.743 13.531 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.262 -6.734 15.614 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.949 -6.273 15.505 1.00 0.00 H new ATOM 900 N PRO A 56 4.500 -3.954 14.614 1.00 0.00 N ATOM 901 CA PRO A 56 4.217 -2.574 14.220 1.00 0.00 C ATOM 902 C PRO A 56 4.583 -2.260 12.768 1.00 0.00 C ATOM 903 O PRO A 56 4.365 -1.146 12.294 1.00 0.00 O ATOM 904 CB PRO A 56 5.119 -1.786 15.161 1.00 0.00 C ATOM 905 CG PRO A 56 6.309 -2.662 15.383 1.00 0.00 C ATOM 906 CD PRO A 56 5.851 -4.087 15.190 1.00 0.00 C ATOM 0 HA PRO A 56 3.153 -2.345 14.284 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.409 -0.831 14.722 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.612 -1.564 16.100 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.106 -2.415 14.682 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.711 -2.519 16.386 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.517 -4.633 14.522 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.830 -4.631 16.134 1.00 0.00 H new ATOM 914 N GLU A 57 5.166 -3.230 12.078 1.00 0.00 N ATOM 915 CA GLU A 57 5.595 -3.043 10.694 1.00 0.00 C ATOM 916 C GLU A 57 4.455 -2.634 9.751 1.00 0.00 C ATOM 917 O GLU A 57 4.708 -2.210 8.624 1.00 0.00 O ATOM 918 CB GLU A 57 6.258 -4.320 10.177 1.00 0.00 C ATOM 919 CG GLU A 57 7.636 -4.085 9.585 1.00 0.00 C ATOM 920 CD GLU A 57 8.746 -4.667 10.440 1.00 0.00 C ATOM 921 OE1 GLU A 57 8.510 -5.707 11.090 1.00 0.00 O ATOM 922 OE2 GLU A 57 9.849 -4.082 10.459 1.00 0.00 O ATOM 0 H GLU A 57 5.355 -4.159 12.454 1.00 0.00 H new ATOM 0 HA GLU A 57 6.308 -2.219 10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.339 -5.036 10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.618 -4.773 9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.680 -4.527 8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.798 -3.014 9.466 1.00 0.00 H new ATOM 929 N ALA A 58 3.208 -2.771 10.188 1.00 0.00 N ATOM 930 CA ALA A 58 2.076 -2.416 9.339 1.00 0.00 C ATOM 931 C ALA A 58 1.631 -0.971 9.526 1.00 0.00 C ATOM 932 O ALA A 58 1.718 -0.163 8.604 1.00 0.00 O ATOM 933 CB ALA A 58 0.910 -3.358 9.586 1.00 0.00 C ATOM 0 H ALA A 58 2.957 -3.121 11.113 1.00 0.00 H new ATOM 0 HA ALA A 58 2.413 -2.517 8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.074 -3.079 8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.214 -4.380 9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.604 -3.292 10.630 1.00 0.00 H new ATOM 939 N SER A 59 1.129 -0.657 10.715 1.00 0.00 N ATOM 940 CA SER A 59 0.640 0.686 11.008 1.00 0.00 C ATOM 941 C SER A 59 1.750 1.598 11.524 1.00 0.00 C ATOM 942 O SER A 59 1.648 2.821 11.424 1.00 0.00 O ATOM 943 CB SER A 59 -0.494 0.621 12.033 1.00 0.00 C ATOM 944 OG SER A 59 -1.690 0.145 11.440 1.00 0.00 O ATOM 0 H SER A 59 1.050 -1.314 11.492 1.00 0.00 H new ATOM 0 HA SER A 59 0.269 1.109 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.207 -0.033 12.856 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.663 1.611 12.456 1.00 0.00 H new ATOM 0 HG SER A 59 -2.166 0.891 11.019 1.00 0.00 H new ATOM 950 N ALA A 60 2.799 1.009 12.084 1.00 0.00 N ATOM 951 CA ALA A 60 3.907 1.793 12.617 1.00 0.00 C ATOM 952 C ALA A 60 4.968 2.068 11.557 1.00 0.00 C ATOM 953 O ALA A 60 5.430 3.200 11.419 1.00 0.00 O ATOM 954 CB ALA A 60 4.521 1.096 13.818 1.00 0.00 C ATOM 0 H ALA A 60 2.906 -0.001 12.181 1.00 0.00 H new ATOM 0 HA ALA A 60 3.506 2.755 12.935 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.346 1.695 14.203 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.766 0.977 14.595 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.892 0.116 13.519 1.00 0.00 H new ATOM 960 N PHE A 61 5.351 1.040 10.801 1.00 0.00 N ATOM 961 CA PHE A 61 6.355 1.217 9.759 1.00 0.00 C ATOM 962 C PHE A 61 5.832 2.163 8.692 1.00 0.00 C ATOM 963 O PHE A 61 6.497 3.125 8.312 1.00 0.00 O ATOM 964 CB PHE A 61 6.720 -0.127 9.134 1.00 0.00 C ATOM 965 CG PHE A 61 8.138 -0.540 9.387 1.00 0.00 C ATOM 966 CD1 PHE A 61 8.542 -0.948 10.649 1.00 0.00 C ATOM 967 CD2 PHE A 61 9.069 -0.518 8.363 1.00 0.00 C ATOM 968 CE1 PHE A 61 9.849 -1.329 10.881 1.00 0.00 C ATOM 969 CE2 PHE A 61 10.377 -0.897 8.589 1.00 0.00 C ATOM 970 CZ PHE A 61 10.767 -1.303 9.848 1.00 0.00 C ATOM 0 H PHE A 61 4.987 0.091 10.889 1.00 0.00 H new ATOM 0 HA PHE A 61 7.252 1.645 10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.052 -0.894 9.525 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.551 -0.076 8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.828 -0.968 11.459 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.769 -0.201 7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.153 -1.647 11.867 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.094 -0.876 7.781 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.790 -1.601 10.027 1.00 0.00 H new ATOM 980 N THR A 62 4.624 1.880 8.222 1.00 0.00 N ATOM 981 CA THR A 62 3.981 2.697 7.204 1.00 0.00 C ATOM 982 C THR A 62 4.027 4.181 7.584 1.00 0.00 C ATOM 983 O THR A 62 4.099 5.053 6.718 1.00 0.00 O ATOM 984 CB THR A 62 2.535 2.225 7.010 1.00 0.00 C ATOM 985 OG1 THR A 62 2.040 2.627 5.746 1.00 0.00 O ATOM 986 CG2 THR A 62 1.575 2.738 8.064 1.00 0.00 C ATOM 0 H THR A 62 4.067 1.084 8.533 1.00 0.00 H new ATOM 0 HA THR A 62 4.521 2.584 6.264 1.00 0.00 H new ATOM 0 HB THR A 62 2.582 1.139 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.117 2.315 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.573 2.361 7.858 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.897 2.395 9.047 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.563 3.828 8.046 1.00 0.00 H new ATOM 994 N LYS A 63 3.988 4.453 8.888 1.00 0.00 N ATOM 995 CA LYS A 63 4.029 5.817 9.398 1.00 0.00 C ATOM 996 C LYS A 63 5.463 6.332 9.477 1.00 0.00 C ATOM 997 O LYS A 63 5.741 7.481 9.139 1.00 0.00 O ATOM 998 CB LYS A 63 3.384 5.875 10.784 1.00 0.00 C ATOM 999 CG LYS A 63 1.920 6.269 10.756 1.00 0.00 C ATOM 1000 CD LYS A 63 1.505 6.961 12.044 1.00 0.00 C ATOM 1001 CE LYS A 63 0.159 7.651 11.898 1.00 0.00 C ATOM 1002 NZ LYS A 63 0.308 9.107 11.622 1.00 0.00 N ATOM 0 H LYS A 63 3.928 3.738 9.613 1.00 0.00 H new ATOM 0 HA LYS A 63 3.473 6.453 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.480 4.900 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.932 6.587 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.737 6.932 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.306 5.381 10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.454 6.230 12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.262 7.694 12.325 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.403 7.184 11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.421 7.512 12.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.632 9.538 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.807 9.561 12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.854 9.240 10.747 1.00 0.00 H new ATOM 1016 N LYS A 64 6.369 5.474 9.937 1.00 0.00 N ATOM 1017 CA LYS A 64 7.775 5.842 10.070 1.00 0.00 C ATOM 1018 C LYS A 64 8.451 5.944 8.707 1.00 0.00 C ATOM 1019 O LYS A 64 9.385 6.725 8.524 1.00 0.00 O ATOM 1020 CB LYS A 64 8.511 4.819 10.938 1.00 0.00 C ATOM 1021 CG LYS A 64 8.230 4.965 12.424 1.00 0.00 C ATOM 1022 CD LYS A 64 9.185 4.125 13.259 1.00 0.00 C ATOM 1023 CE LYS A 64 9.834 4.946 14.362 1.00 0.00 C ATOM 1024 NZ LYS A 64 11.200 5.404 13.983 1.00 0.00 N ATOM 0 H LYS A 64 6.155 4.519 10.224 1.00 0.00 H new ATOM 0 HA LYS A 64 7.820 6.820 10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.228 3.815 10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.583 4.916 10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.320 6.013 12.711 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.203 4.665 12.632 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.644 3.287 13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.957 3.704 12.616 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.210 5.811 14.586 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.891 4.350 15.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.608 5.960 14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.803 4.578 13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.144 5.994 13.128 1.00 0.00 H new ATOM 1038 N MET A 65 7.976 5.148 7.755 1.00 0.00 N ATOM 1039 CA MET A 65 8.540 5.146 6.411 1.00 0.00 C ATOM 1040 C MET A 65 8.235 6.452 5.685 1.00 0.00 C ATOM 1041 O MET A 65 9.087 6.995 4.982 1.00 0.00 O ATOM 1042 CB MET A 65 7.995 3.960 5.611 1.00 0.00 C ATOM 1043 CG MET A 65 9.069 3.183 4.868 1.00 0.00 C ATOM 1044 SD MET A 65 9.886 1.958 5.908 1.00 0.00 S ATOM 1045 CE MET A 65 11.112 2.972 6.729 1.00 0.00 C ATOM 0 H MET A 65 7.203 4.497 7.889 1.00 0.00 H new ATOM 0 HA MET A 65 9.622 5.051 6.499 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.473 3.285 6.289 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.259 4.324 4.894 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.622 2.684 4.009 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.813 3.879 4.481 1.00 0.00 H new ATOM 0 HE1 MET A 65 11.973 2.359 6.994 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.428 3.773 6.061 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.682 3.403 7.633 1.00 0.00 H new ATOM 1055 N VAL A 66 7.015 6.952 5.856 1.00 0.00 N ATOM 1056 CA VAL A 66 6.604 8.193 5.212 1.00 0.00 C ATOM 1057 C VAL A 66 7.059 9.407 6.016 1.00 0.00 C ATOM 1058 O VAL A 66 7.308 10.476 5.456 1.00 0.00 O ATOM 1059 CB VAL A 66 5.074 8.249 5.023 1.00 0.00 C ATOM 1060 CG1 VAL A 66 4.360 8.170 6.365 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.673 9.509 4.267 1.00 0.00 C ATOM 0 H VAL A 66 6.296 6.517 6.434 1.00 0.00 H new ATOM 0 HA VAL A 66 7.080 8.216 4.232 1.00 0.00 H new ATOM 0 HB VAL A 66 4.771 7.386 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.282 8.211 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.618 7.234 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.667 9.008 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.590 9.530 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.992 10.387 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.150 9.513 3.287 1.00 0.00 H new ATOM 1071 N GLU A 67 7.164 9.239 7.330 1.00 0.00 N ATOM 1072 CA GLU A 67 7.590 10.326 8.207 1.00 0.00 C ATOM 1073 C GLU A 67 9.105 10.526 8.157 1.00 0.00 C ATOM 1074 O GLU A 67 9.625 11.499 8.702 1.00 0.00 O ATOM 1075 CB GLU A 67 7.151 10.046 9.646 1.00 0.00 C ATOM 1076 CG GLU A 67 5.714 10.449 9.934 1.00 0.00 C ATOM 1077 CD GLU A 67 5.614 11.571 10.950 1.00 0.00 C ATOM 1078 OE1 GLU A 67 6.404 11.567 11.918 1.00 0.00 O ATOM 1079 OE2 GLU A 67 4.745 12.451 10.780 1.00 0.00 O ATOM 0 H GLU A 67 6.961 8.363 7.811 1.00 0.00 H new ATOM 0 HA GLU A 67 7.116 11.242 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.269 8.982 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.813 10.579 10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.235 10.761 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.164 9.582 10.301 1.00 0.00 H new ATOM 1086 N ASN A 68 9.811 9.602 7.506 1.00 0.00 N ATOM 1087 CA ASN A 68 11.264 9.690 7.399 1.00 0.00 C ATOM 1088 C ASN A 68 11.699 9.981 5.964 1.00 0.00 C ATOM 1089 O ASN A 68 12.750 10.580 5.735 1.00 0.00 O ATOM 1090 CB ASN A 68 11.910 8.390 7.883 1.00 0.00 C ATOM 1091 CG ASN A 68 11.632 8.117 9.348 1.00 0.00 C ATOM 1092 OD1 ASN A 68 11.187 9.000 10.082 1.00 0.00 O ATOM 1093 ND2 ASN A 68 11.893 6.889 9.780 1.00 0.00 N ATOM 0 H ASN A 68 9.401 8.788 7.047 1.00 0.00 H new ATOM 0 HA ASN A 68 11.595 10.515 8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.539 7.558 7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.987 8.441 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.725 6.645 10.756 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.261 6.189 9.136 1.00 0.00 H new ATOM 1100 N ALA A 69 10.888 9.553 5.002 1.00 0.00 N ATOM 1101 CA ALA A 69 11.197 9.768 3.594 1.00 0.00 C ATOM 1102 C ALA A 69 10.281 10.823 2.984 1.00 0.00 C ATOM 1103 O ALA A 69 9.091 10.879 3.292 1.00 0.00 O ATOM 1104 CB ALA A 69 11.085 8.462 2.824 1.00 0.00 C ATOM 0 H ALA A 69 10.014 9.056 5.172 1.00 0.00 H new ATOM 0 HA ALA A 69 12.222 10.132 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.318 8.638 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.786 7.736 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.070 8.075 2.910 1.00 0.00 H new ATOM 1110 N LYS A 70 10.843 11.656 2.114 1.00 0.00 N ATOM 1111 CA LYS A 70 10.076 12.706 1.457 1.00 0.00 C ATOM 1112 C LYS A 70 9.724 12.306 0.025 1.00 0.00 C ATOM 1113 O LYS A 70 9.506 13.162 -0.833 1.00 0.00 O ATOM 1114 CB LYS A 70 10.863 14.020 1.459 1.00 0.00 C ATOM 1115 CG LYS A 70 10.173 15.142 2.218 1.00 0.00 C ATOM 1116 CD LYS A 70 11.152 16.235 2.614 1.00 0.00 C ATOM 1117 CE LYS A 70 11.933 15.857 3.862 1.00 0.00 C ATOM 1118 NZ LYS A 70 12.476 17.055 4.561 1.00 0.00 N ATOM 0 H LYS A 70 11.827 11.623 1.848 1.00 0.00 H new ATOM 0 HA LYS A 70 9.149 12.849 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.845 13.845 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.027 14.337 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.382 15.568 1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.697 14.738 3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.844 16.420 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.610 17.164 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.286 15.303 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.753 15.193 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.002 16.755 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.114 17.571 3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.692 17.677 4.844 1.00 0.00 H new ATOM 1132 N LYS A 71 9.667 11.001 -0.222 1.00 0.00 N ATOM 1133 CA LYS A 71 9.338 10.487 -1.547 1.00 0.00 C ATOM 1134 C LYS A 71 8.418 9.279 -1.442 1.00 0.00 C ATOM 1135 O LYS A 71 8.870 8.160 -1.201 1.00 0.00 O ATOM 1136 CB LYS A 71 10.611 10.106 -2.302 1.00 0.00 C ATOM 1137 CG LYS A 71 11.594 9.299 -1.469 1.00 0.00 C ATOM 1138 CD LYS A 71 13.012 9.833 -1.601 1.00 0.00 C ATOM 1139 CE LYS A 71 13.420 10.642 -0.380 1.00 0.00 C ATOM 1140 NZ LYS A 71 13.089 12.087 -0.535 1.00 0.00 N ATOM 0 H LYS A 71 9.844 10.280 0.478 1.00 0.00 H new ATOM 0 HA LYS A 71 8.821 11.273 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.340 9.531 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.103 11.014 -2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.291 9.325 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.567 8.256 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.704 9.001 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.086 10.456 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.916 10.247 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.491 10.531 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.992 12.524 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.849 12.563 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.194 12.184 -1.056 1.00 0.00 H new ATOM 1154 N ILE A 72 7.126 9.512 -1.626 1.00 0.00 N ATOM 1155 CA ILE A 72 6.139 8.445 -1.553 1.00 0.00 C ATOM 1156 C ILE A 72 5.334 8.358 -2.845 1.00 0.00 C ATOM 1157 O ILE A 72 4.319 9.036 -3.003 1.00 0.00 O ATOM 1158 CB ILE A 72 5.180 8.652 -0.366 1.00 0.00 C ATOM 1159 CG1 ILE A 72 5.971 8.889 0.922 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.254 7.454 -0.213 1.00 0.00 C ATOM 1161 CD1 ILE A 72 6.062 10.348 1.316 1.00 0.00 C ATOM 0 H ILE A 72 6.737 10.433 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 72 6.683 7.512 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 72 4.569 9.533 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.504 8.330 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.978 8.491 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.583 7.618 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.668 7.329 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.847 6.556 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.636 10.441 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.556 10.909 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.059 10.746 1.472 1.00 0.00 H new ATOM 1173 N GLU A 73 5.796 7.520 -3.767 1.00 0.00 N ATOM 1174 CA GLU A 73 5.123 7.344 -5.044 1.00 0.00 C ATOM 1175 C GLU A 73 4.175 6.151 -4.995 1.00 0.00 C ATOM 1176 O GLU A 73 4.518 5.096 -4.461 1.00 0.00 O ATOM 1177 CB GLU A 73 6.144 7.163 -6.170 1.00 0.00 C ATOM 1178 CG GLU A 73 6.325 8.401 -7.032 1.00 0.00 C ATOM 1179 CD GLU A 73 7.458 8.256 -8.029 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.845 7.105 -8.325 1.00 0.00 O ATOM 1181 OE2 GLU A 73 7.956 9.292 -8.515 1.00 0.00 O ATOM 0 H GLU A 73 6.635 6.952 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 73 4.538 8.242 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.106 6.889 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.831 6.332 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.398 8.605 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.518 9.261 -6.391 1.00 0.00 H new ATOM 1188 N VAL A 74 2.982 6.325 -5.551 1.00 0.00 N ATOM 1189 CA VAL A 74 1.985 5.262 -5.564 1.00 0.00 C ATOM 1190 C VAL A 74 1.671 4.819 -6.987 1.00 0.00 C ATOM 1191 O VAL A 74 1.271 5.627 -7.826 1.00 0.00 O ATOM 1192 CB VAL A 74 0.680 5.709 -4.878 1.00 0.00 C ATOM 1193 CG1 VAL A 74 -0.284 4.540 -4.749 1.00 0.00 C ATOM 1194 CG2 VAL A 74 0.974 6.321 -3.518 1.00 0.00 C ATOM 0 H VAL A 74 2.682 7.191 -5.998 1.00 0.00 H new ATOM 0 HA VAL A 74 2.410 4.424 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 74 0.208 6.471 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.200 4.876 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.521 4.153 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.177 3.753 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.040 6.631 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.470 5.584 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.623 7.188 -3.642 1.00 0.00 H new ATOM 1204 N GLU A 75 1.849 3.531 -7.250 1.00 0.00 N ATOM 1205 CA GLU A 75 1.580 2.976 -8.572 1.00 0.00 C ATOM 1206 C GLU A 75 0.106 2.606 -8.713 1.00 0.00 C ATOM 1207 O GLU A 75 -0.230 1.467 -9.038 1.00 0.00 O ATOM 1208 CB GLU A 75 2.456 1.747 -8.819 1.00 0.00 C ATOM 1209 CG GLU A 75 2.841 1.559 -10.278 1.00 0.00 C ATOM 1210 CD GLU A 75 4.147 0.806 -10.442 1.00 0.00 C ATOM 1211 OE1 GLU A 75 5.217 1.442 -10.340 1.00 0.00 O ATOM 1212 OE2 GLU A 75 4.099 -0.421 -10.672 1.00 0.00 O ATOM 0 H GLU A 75 2.179 2.850 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 75 1.818 3.736 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.363 1.831 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.927 0.859 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.047 1.019 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.925 2.535 -10.757 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.771 3.572 -8.456 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.206 3.338 -8.547 1.00 0.00 C ATOM 1221 C PHE A 76 -2.747 3.754 -9.917 1.00 0.00 C ATOM 1222 O PHE A 76 -2.080 4.464 -10.668 1.00 0.00 O ATOM 1223 CB PHE A 76 -2.918 4.072 -7.393 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.780 5.245 -7.787 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.337 6.190 -8.701 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.034 5.403 -7.223 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.133 7.264 -9.047 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.832 6.476 -7.562 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.383 7.408 -8.476 1.00 0.00 C ATOM 0 H PHE A 76 -0.513 4.521 -8.184 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.405 2.271 -8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.540 3.353 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.162 4.422 -6.690 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.359 6.085 -9.147 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.392 4.677 -6.508 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.779 7.991 -9.763 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.808 6.587 -7.112 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.007 8.248 -8.744 1.00 0.00 H new ATOM 1239 N ASP A 77 -3.959 3.304 -10.234 1.00 0.00 N ATOM 1240 CA ASP A 77 -4.587 3.628 -11.512 1.00 0.00 C ATOM 1241 C ASP A 77 -5.593 4.762 -11.350 1.00 0.00 C ATOM 1242 O ASP A 77 -6.030 5.063 -10.240 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.279 2.393 -12.097 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.074 2.271 -13.595 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -5.449 3.213 -14.324 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -4.538 1.235 -14.038 1.00 0.00 O ATOM 0 H ASP A 77 -4.525 2.714 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.806 3.954 -12.199 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.895 1.498 -11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.346 2.442 -11.882 1.00 0.00 H new ATOM 1251 N LYS A 78 -5.952 5.391 -12.465 1.00 0.00 N ATOM 1252 CA LYS A 78 -6.907 6.493 -12.449 1.00 0.00 C ATOM 1253 C LYS A 78 -8.329 5.991 -12.690 1.00 0.00 C ATOM 1254 O LYS A 78 -9.161 6.702 -13.254 1.00 0.00 O ATOM 1255 CB LYS A 78 -6.531 7.535 -13.506 1.00 0.00 C ATOM 1256 CG LYS A 78 -6.186 8.896 -12.923 1.00 0.00 C ATOM 1257 CD LYS A 78 -5.759 9.874 -14.006 1.00 0.00 C ATOM 1258 CE LYS A 78 -4.250 10.057 -14.027 1.00 0.00 C ATOM 1259 NZ LYS A 78 -3.829 11.082 -15.023 1.00 0.00 N ATOM 0 H LYS A 78 -5.595 5.156 -13.391 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.872 6.956 -11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.680 7.168 -14.079 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.360 7.648 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.050 9.295 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.384 8.787 -12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.096 9.513 -14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.241 10.837 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.906 10.351 -13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.772 9.106 -14.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.794 11.177 -15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.135 10.789 -15.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.265 11.996 -14.786 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.601 4.764 -12.256 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.917 4.189 -12.429 1.00 0.00 C ATOM 1275 C GLY A 79 -10.069 2.907 -11.643 1.00 0.00 C ATOM 1276 O GLY A 79 -10.793 1.999 -12.049 1.00 0.00 O ATOM 0 H GLY A 79 -7.928 4.158 -11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.673 4.905 -12.108 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.093 3.992 -13.486 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.374 2.834 -10.511 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.424 1.657 -9.665 1.00 0.00 C ATOM 1282 C GLN A 80 -10.691 1.636 -8.835 1.00 0.00 C ATOM 1283 O GLN A 80 -11.004 2.583 -8.115 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.207 1.594 -8.747 1.00 0.00 C ATOM 1285 CG GLN A 80 -6.906 1.411 -9.496 1.00 0.00 C ATOM 1286 CD GLN A 80 -6.533 -0.047 -9.670 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -6.475 -0.805 -8.701 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -6.285 -0.454 -10.909 1.00 0.00 N ATOM 0 H GLN A 80 -8.771 3.579 -10.163 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.419 0.784 -10.318 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.155 2.511 -8.160 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.333 0.771 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.986 1.881 -10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -6.108 1.925 -8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.344 0.206 -11.684 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.035 -1.427 -11.086 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.406 0.536 -8.955 1.00 0.00 N ATOM 1298 CA ARG A 81 -12.661 0.336 -8.230 1.00 0.00 C ATOM 1299 C ARG A 81 -12.532 0.775 -6.772 1.00 0.00 C ATOM 1300 O ARG A 81 -11.693 0.263 -6.031 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.081 -1.133 -8.296 1.00 0.00 C ATOM 1302 CG ARG A 81 -13.598 -1.557 -9.662 1.00 0.00 C ATOM 1303 CD ARG A 81 -12.827 -2.750 -10.208 1.00 0.00 C ATOM 1304 NE ARG A 81 -13.510 -3.370 -11.341 1.00 0.00 N ATOM 1305 CZ ARG A 81 -14.651 -4.046 -11.239 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -15.241 -4.193 -10.059 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -15.205 -4.576 -12.320 1.00 0.00 N ATOM 0 H ARG A 81 -11.142 -0.247 -9.553 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.425 0.950 -8.706 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.229 -1.758 -8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.856 -1.315 -7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.656 -1.809 -9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.517 -0.722 -10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.832 -2.429 -10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.693 -3.488 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.087 -3.279 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.819 -3.786 -9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.116 -4.712 -9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.756 -4.465 -13.229 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.080 -5.095 -12.243 1.00 0.00 H new ATOM 1321 N THR A 82 -13.366 1.730 -6.373 1.00 0.00 N ATOM 1322 CA THR A 82 -13.347 2.247 -5.008 1.00 0.00 C ATOM 1323 C THR A 82 -14.489 1.657 -4.182 1.00 0.00 C ATOM 1324 O THR A 82 -15.370 0.985 -4.719 1.00 0.00 O ATOM 1325 CB THR A 82 -13.454 3.771 -5.021 1.00 0.00 C ATOM 1326 OG1 THR A 82 -14.728 4.180 -5.489 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.410 4.439 -5.890 1.00 0.00 C ATOM 0 H THR A 82 -14.065 2.163 -6.977 1.00 0.00 H new ATOM 0 HA THR A 82 -12.402 1.954 -4.550 1.00 0.00 H new ATOM 0 HB THR A 82 -13.294 4.080 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.778 5.159 -5.488 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.544 5.520 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.415 4.184 -5.525 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.518 4.095 -6.918 1.00 0.00 H new ATOM 1335 N ASP A 83 -14.473 1.916 -2.874 1.00 0.00 N ATOM 1336 CA ASP A 83 -15.516 1.407 -1.985 1.00 0.00 C ATOM 1337 C ASP A 83 -16.015 2.493 -1.026 1.00 0.00 C ATOM 1338 O ASP A 83 -17.036 3.132 -1.282 1.00 0.00 O ATOM 1339 CB ASP A 83 -15.006 0.198 -1.197 1.00 0.00 C ATOM 1340 CG ASP A 83 -14.636 -0.964 -2.097 1.00 0.00 C ATOM 1341 OD1 ASP A 83 -15.557 -1.623 -2.624 1.00 0.00 O ATOM 1342 OD2 ASP A 83 -13.426 -1.216 -2.275 1.00 0.00 O ATOM 0 H ASP A 83 -13.754 2.471 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.356 1.096 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.135 0.491 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.773 -0.122 -0.492 1.00 0.00 H new ATOM 1347 N LYS A 84 -15.300 2.695 0.082 1.00 0.00 N ATOM 1348 CA LYS A 84 -15.691 3.699 1.070 1.00 0.00 C ATOM 1349 C LYS A 84 -15.025 5.046 0.781 1.00 0.00 C ATOM 1350 O LYS A 84 -15.602 5.894 0.101 1.00 0.00 O ATOM 1351 CB LYS A 84 -15.339 3.220 2.483 1.00 0.00 C ATOM 1352 CG LYS A 84 -16.546 2.774 3.291 1.00 0.00 C ATOM 1353 CD LYS A 84 -16.956 1.351 2.946 1.00 0.00 C ATOM 1354 CE LYS A 84 -17.897 1.315 1.753 1.00 0.00 C ATOM 1355 NZ LYS A 84 -19.036 0.382 1.973 1.00 0.00 N ATOM 0 H LYS A 84 -14.452 2.179 0.316 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.770 3.837 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.633 2.392 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.833 4.025 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.317 2.839 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.380 3.449 3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.068 0.758 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.442 0.892 3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.280 2.317 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.345 1.011 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.655 0.386 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.672 -0.579 2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.578 0.687 2.806 1.00 0.00 H new ATOM 1369 N TYR A 85 -13.807 5.236 1.287 1.00 0.00 N ATOM 1370 CA TYR A 85 -13.076 6.480 1.062 1.00 0.00 C ATOM 1371 C TYR A 85 -12.160 6.346 -0.143 1.00 0.00 C ATOM 1372 O TYR A 85 -11.050 6.878 -0.157 1.00 0.00 O ATOM 1373 CB TYR A 85 -12.253 6.863 2.296 1.00 0.00 C ATOM 1374 CG TYR A 85 -12.998 7.747 3.271 1.00 0.00 C ATOM 1375 CD1 TYR A 85 -14.093 7.266 3.977 1.00 0.00 C ATOM 1376 CD2 TYR A 85 -12.606 9.063 3.484 1.00 0.00 C ATOM 1377 CE1 TYR A 85 -14.777 8.072 4.869 1.00 0.00 C ATOM 1378 CE2 TYR A 85 -13.284 9.873 4.374 1.00 0.00 C ATOM 1379 CZ TYR A 85 -14.368 9.374 5.063 1.00 0.00 C ATOM 1380 OH TYR A 85 -15.046 10.178 5.951 1.00 0.00 O ATOM 0 H TYR A 85 -13.309 4.548 1.852 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.806 7.267 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -11.939 5.954 2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.347 7.376 1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -14.416 6.246 3.827 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.758 9.459 2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.627 7.683 5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.966 10.893 4.529 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.631 11.065 5.972 1.00 0.00 H new ATOM 1390 N GLY A 86 -12.629 5.624 -1.151 1.00 0.00 N ATOM 1391 CA GLY A 86 -11.838 5.425 -2.343 1.00 0.00 C ATOM 1392 C GLY A 86 -11.336 4.001 -2.472 1.00 0.00 C ATOM 1393 O GLY A 86 -11.203 3.492 -3.582 1.00 0.00 O ATOM 0 H GLY A 86 -13.544 5.173 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.436 5.677 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.988 6.107 -2.330 1.00 0.00 H new ATOM 1397 N ARG A 87 -11.046 3.362 -1.332 1.00 0.00 N ATOM 1398 CA ARG A 87 -10.541 1.981 -1.316 1.00 0.00 C ATOM 1399 C ARG A 87 -9.785 1.666 -2.604 1.00 0.00 C ATOM 1400 O ARG A 87 -10.092 0.709 -3.315 1.00 0.00 O ATOM 1401 CB ARG A 87 -11.696 0.997 -1.110 1.00 0.00 C ATOM 1402 CG ARG A 87 -11.658 0.285 0.236 1.00 0.00 C ATOM 1403 CD ARG A 87 -11.351 1.248 1.375 1.00 0.00 C ATOM 1404 NE ARG A 87 -12.235 1.046 2.521 1.00 0.00 N ATOM 1405 CZ ARG A 87 -12.304 -0.086 3.218 1.00 0.00 C ATOM 1406 NH1 ARG A 87 -11.534 -1.121 2.902 1.00 0.00 N ATOM 1407 NH2 ARG A 87 -13.143 -0.183 4.241 1.00 0.00 N ATOM 0 H ARG A 87 -11.152 3.779 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.845 1.877 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.640 1.534 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.674 0.253 -1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -12.617 -0.200 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.903 -0.501 0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.315 1.118 1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.449 2.273 1.018 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.836 1.820 2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.883 -1.052 2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.594 -1.985 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.734 0.609 4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.197 -1.050 4.776 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.810 2.512 -2.898 1.00 0.00 N ATOM 1422 CA TRP A 88 -7.999 2.388 -4.101 1.00 0.00 C ATOM 1423 C TRP A 88 -6.829 1.439 -3.901 1.00 0.00 C ATOM 1424 O TRP A 88 -6.353 1.249 -2.790 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.454 3.762 -4.486 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.515 4.761 -4.823 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.294 5.455 -3.945 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -8.907 5.184 -6.130 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.157 6.277 -4.629 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.937 6.130 -5.973 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.489 4.851 -7.419 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.554 6.744 -7.060 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -9.100 5.462 -8.495 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -10.124 6.399 -8.312 1.00 0.00 C ATOM 0 H TRP A 88 -8.558 3.305 -2.309 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.635 1.986 -4.889 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.854 4.148 -3.662 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.788 3.651 -5.342 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.241 5.371 -2.870 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.848 6.896 -4.205 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.701 4.128 -7.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.344 7.467 -6.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.782 5.213 -9.497 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.583 6.858 -9.175 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.341 0.866 -4.987 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.195 -0.027 -4.893 1.00 0.00 C ATOM 1447 C LEU A 89 -3.925 0.805 -4.747 1.00 0.00 C ATOM 1448 O LEU A 89 -3.907 1.980 -5.111 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.113 -0.951 -6.118 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.163 -0.525 -7.249 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -4.353 0.943 -7.602 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -2.714 -0.803 -6.866 1.00 0.00 C ATOM 0 H LEU A 89 -6.710 0.998 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.308 -0.665 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.811 -1.941 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.115 -1.050 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.406 -1.116 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.668 1.216 -8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.380 1.109 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.148 1.558 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.057 -0.495 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.462 -0.244 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.585 -1.869 -6.680 1.00 0.00 H new ATOM 1464 N ALA A 90 -2.867 0.207 -4.215 1.00 0.00 N ATOM 1465 CA ALA A 90 -1.612 0.930 -4.039 1.00 0.00 C ATOM 1466 C ALA A 90 -0.589 0.111 -3.266 1.00 0.00 C ATOM 1467 O ALA A 90 -0.938 -0.791 -2.505 1.00 0.00 O ATOM 1468 CB ALA A 90 -1.857 2.256 -3.330 1.00 0.00 C ATOM 0 H ALA A 90 -2.850 -0.763 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.206 1.120 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.911 2.783 -3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.537 2.866 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.299 2.069 -2.351 1.00 0.00 H new ATOM 1474 N TYR A 91 0.676 0.453 -3.464 1.00 0.00 N ATOM 1475 CA TYR A 91 1.772 -0.222 -2.789 1.00 0.00 C ATOM 1476 C TYR A 91 2.441 0.739 -1.811 1.00 0.00 C ATOM 1477 O TYR A 91 2.779 0.368 -0.687 1.00 0.00 O ATOM 1478 CB TYR A 91 2.784 -0.737 -3.811 1.00 0.00 C ATOM 1479 CG TYR A 91 2.290 -1.923 -4.613 1.00 0.00 C ATOM 1480 CD1 TYR A 91 1.077 -1.876 -5.297 1.00 0.00 C ATOM 1481 CD2 TYR A 91 3.039 -3.090 -4.687 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.630 -2.962 -6.028 1.00 0.00 C ATOM 1483 CE2 TYR A 91 2.597 -4.178 -5.417 1.00 0.00 C ATOM 1484 CZ TYR A 91 1.394 -4.108 -6.085 1.00 0.00 C ATOM 1485 OH TYR A 91 0.951 -5.189 -6.812 1.00 0.00 O ATOM 0 H TYR A 91 0.969 1.201 -4.093 1.00 0.00 H new ATOM 0 HA TYR A 91 1.381 -1.075 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.040 0.072 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.701 -1.017 -3.292 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.477 -0.979 -5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.983 -3.149 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.313 -2.912 -6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.192 -5.078 -5.463 1.00 0.00 H new ATOM 0 HH TYR A 91 1.606 -5.915 -6.751 1.00 0.00 H new ATOM 1495 N ILE A 92 2.605 1.985 -2.250 1.00 0.00 N ATOM 1496 CA ILE A 92 3.208 3.027 -1.425 1.00 0.00 C ATOM 1497 C ILE A 92 4.618 2.659 -0.977 1.00 0.00 C ATOM 1498 O ILE A 92 4.823 1.650 -0.304 1.00 0.00 O ATOM 1499 CB ILE A 92 2.352 3.316 -0.176 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.867 3.370 -0.543 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.790 4.621 0.473 1.00 0.00 C ATOM 1502 CD1 ILE A 92 0.158 2.043 -0.384 1.00 0.00 C ATOM 0 H ILE A 92 2.326 2.298 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 92 3.259 3.918 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 92 2.498 2.507 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.373 4.114 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.768 3.705 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.177 4.813 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.837 4.547 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.670 5.439 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.890 2.155 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.627 1.300 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.226 1.716 0.654 1.00 0.00 H new ATOM 1514 N TYR A 93 5.586 3.495 -1.340 1.00 0.00 N ATOM 1515 CA TYR A 93 6.973 3.261 -0.957 1.00 0.00 C ATOM 1516 C TYR A 93 7.686 4.566 -0.629 1.00 0.00 C ATOM 1517 O TYR A 93 7.639 5.525 -1.399 1.00 0.00 O ATOM 1518 CB TYR A 93 7.732 2.527 -2.060 1.00 0.00 C ATOM 1519 CG TYR A 93 7.555 3.110 -3.440 1.00 0.00 C ATOM 1520 CD1 TYR A 93 8.238 4.259 -3.822 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.722 2.502 -4.368 1.00 0.00 C ATOM 1522 CE1 TYR A 93 8.091 4.784 -5.090 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.573 3.019 -5.639 1.00 0.00 C ATOM 1524 CZ TYR A 93 7.259 4.161 -5.995 1.00 0.00 C ATOM 1525 OH TYR A 93 7.116 4.676 -7.262 1.00 0.00 O ATOM 0 H TYR A 93 5.436 4.337 -1.896 1.00 0.00 H new ATOM 0 HA TYR A 93 6.957 2.638 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.794 2.527 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.408 1.486 -2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.893 4.748 -3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.181 1.609 -4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.626 5.679 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.923 2.532 -6.351 1.00 0.00 H new ATOM 0 HH TYR A 93 7.710 5.448 -7.370 1.00 0.00 H new ATOM 1535 N ALA A 94 8.356 4.588 0.517 1.00 0.00 N ATOM 1536 CA ALA A 94 9.094 5.767 0.951 1.00 0.00 C ATOM 1537 C ALA A 94 10.590 5.572 0.737 1.00 0.00 C ATOM 1538 O ALA A 94 11.175 4.606 1.225 1.00 0.00 O ATOM 1539 CB ALA A 94 8.798 6.065 2.415 1.00 0.00 C ATOM 0 H ALA A 94 8.403 3.801 1.164 1.00 0.00 H new ATOM 0 HA ALA A 94 8.772 6.618 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.356 6.948 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.731 6.247 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.096 5.214 3.027 1.00 0.00 H new ATOM 1545 N ASP A 95 11.204 6.490 -0.003 1.00 0.00 N ATOM 1546 CA ASP A 95 12.635 6.416 -0.292 1.00 0.00 C ATOM 1547 C ASP A 95 12.924 5.339 -1.332 1.00 0.00 C ATOM 1548 O ASP A 95 14.013 4.765 -1.361 1.00 0.00 O ATOM 1549 CB ASP A 95 13.431 6.135 0.986 1.00 0.00 C ATOM 1550 CG ASP A 95 14.867 6.612 0.890 1.00 0.00 C ATOM 1551 OD1 ASP A 95 15.077 7.819 0.649 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.782 5.778 1.055 1.00 0.00 O ATOM 0 H ASP A 95 10.733 7.296 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 95 12.945 7.380 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.944 6.625 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.420 5.064 1.190 1.00 0.00 H new ATOM 1557 N GLY A 96 11.943 5.071 -2.190 1.00 0.00 N ATOM 1558 CA GLY A 96 12.111 4.067 -3.224 1.00 0.00 C ATOM 1559 C GLY A 96 12.058 2.650 -2.684 1.00 0.00 C ATOM 1560 O GLY A 96 12.573 1.724 -3.310 1.00 0.00 O ATOM 0 H GLY A 96 11.034 5.533 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.332 4.193 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.066 4.224 -3.725 1.00 0.00 H new ATOM 1564 N LYS A 97 11.436 2.478 -1.522 1.00 0.00 N ATOM 1565 CA LYS A 97 11.320 1.160 -0.907 1.00 0.00 C ATOM 1566 C LYS A 97 9.920 0.939 -0.346 1.00 0.00 C ATOM 1567 O LYS A 97 9.499 1.624 0.587 1.00 0.00 O ATOM 1568 CB LYS A 97 12.360 1.000 0.205 1.00 0.00 C ATOM 1569 CG LYS A 97 12.400 2.169 1.175 1.00 0.00 C ATOM 1570 CD LYS A 97 13.276 1.864 2.380 1.00 0.00 C ATOM 1571 CE LYS A 97 12.444 1.466 3.587 1.00 0.00 C ATOM 1572 NZ LYS A 97 11.683 0.209 3.346 1.00 0.00 N ATOM 0 H LYS A 97 11.005 3.233 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 97 11.503 0.411 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.148 0.086 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.345 0.879 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.778 3.054 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.389 2.401 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.969 1.060 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.878 2.739 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.096 1.336 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.749 2.270 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.168 -0.056 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.006 0.356 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.343 -0.553 3.089 1.00 0.00 H new ATOM 1586 N MET A 98 9.204 -0.025 -0.915 1.00 0.00 N ATOM 1587 CA MET A 98 7.852 -0.340 -0.467 1.00 0.00 C ATOM 1588 C MET A 98 7.887 -1.036 0.891 1.00 0.00 C ATOM 1589 O MET A 98 8.617 -2.010 1.075 1.00 0.00 O ATOM 1590 CB MET A 98 7.144 -1.241 -1.482 1.00 0.00 C ATOM 1591 CG MET A 98 7.296 -0.787 -2.926 1.00 0.00 C ATOM 1592 SD MET A 98 6.998 -2.118 -4.107 1.00 0.00 S ATOM 1593 CE MET A 98 8.602 -2.239 -4.895 1.00 0.00 C ATOM 0 H MET A 98 9.537 -0.602 -1.687 1.00 0.00 H new ATOM 0 HA MET A 98 7.301 0.596 -0.376 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.535 -2.254 -1.388 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.083 -1.285 -1.236 1.00 0.00 H new ATOM 0 HG2 MET A 98 6.601 0.029 -3.121 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.301 -0.392 -3.075 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.652 -3.158 -5.479 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.750 -1.382 -5.553 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.382 -2.250 -4.133 1.00 0.00 H new ATOM 1603 N VAL A 99 7.095 -0.541 1.839 1.00 0.00 N ATOM 1604 CA VAL A 99 7.048 -1.139 3.172 1.00 0.00 C ATOM 1605 C VAL A 99 6.730 -2.626 3.081 1.00 0.00 C ATOM 1606 O VAL A 99 7.252 -3.432 3.852 1.00 0.00 O ATOM 1607 CB VAL A 99 6.013 -0.457 4.093 1.00 0.00 C ATOM 1608 CG1 VAL A 99 6.664 0.667 4.885 1.00 0.00 C ATOM 1609 CG2 VAL A 99 4.823 0.059 3.295 1.00 0.00 C ATOM 0 H VAL A 99 6.482 0.265 1.712 1.00 0.00 H new ATOM 0 HA VAL A 99 8.036 -0.993 3.610 1.00 0.00 H new ATOM 0 HB VAL A 99 5.642 -1.203 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.920 1.137 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.470 0.262 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.069 1.409 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.111 0.534 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.166 0.786 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.339 -0.773 2.784 1.00 0.00 H new ATOM 1619 N ASN A 100 5.881 -2.987 2.123 1.00 0.00 N ATOM 1620 CA ASN A 100 5.510 -4.382 1.924 1.00 0.00 C ATOM 1621 C ASN A 100 6.659 -5.140 1.271 1.00 0.00 C ATOM 1622 O ASN A 100 7.081 -6.189 1.753 1.00 0.00 O ATOM 1623 CB ASN A 100 4.253 -4.486 1.059 1.00 0.00 C ATOM 1624 CG ASN A 100 4.345 -3.651 -0.204 1.00 0.00 C ATOM 1625 OD1 ASN A 100 4.853 -4.107 -1.227 1.00 0.00 O ATOM 1626 ND2 ASN A 100 3.854 -2.419 -0.136 1.00 0.00 N ATOM 0 H ASN A 100 5.439 -2.335 1.475 1.00 0.00 H new ATOM 0 HA ASN A 100 5.298 -4.826 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.087 -5.529 0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.389 -4.165 1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.890 -1.810 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.441 -2.082 0.734 1.00 0.00 H new ATOM 1633 N GLU A 101 7.181 -4.584 0.183 1.00 0.00 N ATOM 1634 CA GLU A 101 8.298 -5.196 -0.524 1.00 0.00 C ATOM 1635 C GLU A 101 9.568 -5.157 0.326 1.00 0.00 C ATOM 1636 O GLU A 101 10.582 -5.757 -0.029 1.00 0.00 O ATOM 1637 CB GLU A 101 8.538 -4.484 -1.858 1.00 0.00 C ATOM 1638 CG GLU A 101 8.997 -5.413 -2.970 1.00 0.00 C ATOM 1639 CD GLU A 101 10.451 -5.200 -3.345 1.00 0.00 C ATOM 1640 OE1 GLU A 101 10.938 -4.059 -3.211 1.00 0.00 O ATOM 1641 OE2 GLU A 101 11.103 -6.177 -3.771 1.00 0.00 O ATOM 0 H GLU A 101 6.848 -3.712 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 101 8.045 -6.238 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.617 -3.989 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.287 -3.705 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.854 -6.447 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.372 -5.257 -3.850 1.00 0.00 H new ATOM 1648 N ALA A 102 9.507 -4.435 1.444 1.00 0.00 N ATOM 1649 CA ALA A 102 10.649 -4.303 2.336 1.00 0.00 C ATOM 1650 C ALA A 102 10.910 -5.578 3.138 1.00 0.00 C ATOM 1651 O ALA A 102 12.064 -5.919 3.394 1.00 0.00 O ATOM 1652 CB ALA A 102 10.441 -3.126 3.276 1.00 0.00 C ATOM 0 H ALA A 102 8.674 -3.932 1.751 1.00 0.00 H new ATOM 0 HA ALA A 102 11.528 -4.127 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.300 -3.034 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.333 -2.211 2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.540 -3.288 3.868 1.00 0.00 H new ATOM 1658 N LEU A 103 9.849 -6.276 3.551 1.00 0.00 N ATOM 1659 CA LEU A 103 10.033 -7.493 4.339 1.00 0.00 C ATOM 1660 C LEU A 103 8.905 -8.510 4.166 1.00 0.00 C ATOM 1661 O LEU A 103 9.167 -9.696 3.982 1.00 0.00 O ATOM 1662 CB LEU A 103 10.197 -7.149 5.822 1.00 0.00 C ATOM 1663 CG LEU A 103 9.019 -6.425 6.489 1.00 0.00 C ATOM 1664 CD1 LEU A 103 9.321 -6.192 7.961 1.00 0.00 C ATOM 1665 CD2 LEU A 103 8.721 -5.104 5.793 1.00 0.00 C ATOM 0 H LEU A 103 8.879 -6.027 3.359 1.00 0.00 H new ATOM 0 HA LEU A 103 10.940 -7.963 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.384 -8.073 6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.086 -6.528 5.932 1.00 0.00 H new ATOM 0 HG LEU A 103 8.134 -7.056 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.481 -5.678 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.480 -7.150 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.218 -5.581 8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.882 -4.614 6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.599 -4.460 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.468 -5.291 4.749 1.00 0.00 H new ATOM 1677 N VAL A 104 7.655 -8.062 4.248 1.00 0.00 N ATOM 1678 CA VAL A 104 6.507 -8.968 4.125 1.00 0.00 C ATOM 1679 C VAL A 104 6.713 -10.041 3.052 1.00 0.00 C ATOM 1680 O VAL A 104 6.135 -11.126 3.132 1.00 0.00 O ATOM 1681 CB VAL A 104 5.195 -8.198 3.857 1.00 0.00 C ATOM 1682 CG1 VAL A 104 5.065 -7.822 2.389 1.00 0.00 C ATOM 1683 CG2 VAL A 104 3.999 -9.017 4.315 1.00 0.00 C ATOM 0 H VAL A 104 7.408 -7.084 4.398 1.00 0.00 H new ATOM 0 HA VAL A 104 6.425 -9.473 5.087 1.00 0.00 H new ATOM 0 HB VAL A 104 5.222 -7.272 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.131 -7.281 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.904 -7.189 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.067 -8.726 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.082 -8.462 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.975 -9.961 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.082 -9.216 5.383 1.00 0.00 H new ATOM 1693 N ARG A 105 7.537 -9.738 2.058 1.00 0.00 N ATOM 1694 CA ARG A 105 7.816 -10.683 0.986 1.00 0.00 C ATOM 1695 C ARG A 105 8.415 -11.977 1.535 1.00 0.00 C ATOM 1696 O ARG A 105 8.014 -13.070 1.136 1.00 0.00 O ATOM 1697 CB ARG A 105 8.761 -10.055 -0.040 1.00 0.00 C ATOM 1698 CG ARG A 105 8.446 -8.598 -0.355 1.00 0.00 C ATOM 1699 CD ARG A 105 6.956 -8.371 -0.585 1.00 0.00 C ATOM 1700 NE ARG A 105 6.681 -7.828 -1.913 1.00 0.00 N ATOM 1701 CZ ARG A 105 5.506 -7.320 -2.275 1.00 0.00 C ATOM 1702 NH1 ARG A 105 4.496 -7.282 -1.414 1.00 0.00 N ATOM 1703 NH2 ARG A 105 5.338 -6.846 -3.502 1.00 0.00 N ATOM 0 H ARG A 105 8.024 -8.846 1.972 1.00 0.00 H new ATOM 0 HA ARG A 105 6.873 -10.928 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.783 -10.124 0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.717 -10.634 -0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.786 -7.968 0.467 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.000 -8.291 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.423 -9.314 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 105 6.573 -7.687 0.172 1.00 0.00 H new ATOM 0 HE ARG A 105 7.433 -7.839 -2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.618 -7.644 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 105 3.598 -6.891 -1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.110 -6.871 -4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.437 -6.457 -3.779 1.00 0.00 H new ATOM 1717 N GLN A 106 9.370 -11.853 2.457 1.00 0.00 N ATOM 1718 CA GLN A 106 10.000 -13.031 3.050 1.00 0.00 C ATOM 1719 C GLN A 106 9.275 -13.454 4.329 1.00 0.00 C ATOM 1720 O GLN A 106 9.389 -14.602 4.761 1.00 0.00 O ATOM 1721 CB GLN A 106 11.499 -12.786 3.308 1.00 0.00 C ATOM 1722 CG GLN A 106 11.836 -12.257 4.694 1.00 0.00 C ATOM 1723 CD GLN A 106 11.386 -10.832 4.890 1.00 0.00 C ATOM 1724 OE1 GLN A 106 11.826 -9.925 4.184 1.00 0.00 O ATOM 1725 NE2 GLN A 106 10.507 -10.627 5.857 1.00 0.00 N ATOM 0 H GLN A 106 9.720 -10.961 2.805 1.00 0.00 H new ATOM 0 HA GLN A 106 9.919 -13.852 2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 106 12.036 -13.721 3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 106 11.869 -12.078 2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.366 -12.890 5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.913 -12.320 4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.171 -11.411 6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.165 -9.684 6.044 1.00 0.00 H new ATOM 1734 N GLY A 107 8.516 -12.532 4.924 1.00 0.00 N ATOM 1735 CA GLY A 107 7.775 -12.858 6.135 1.00 0.00 C ATOM 1736 C GLY A 107 7.976 -11.855 7.255 1.00 0.00 C ATOM 1737 O GLY A 107 7.968 -12.219 8.430 1.00 0.00 O ATOM 0 H GLY A 107 8.402 -11.574 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.713 -12.917 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 107 8.079 -13.845 6.483 1.00 0.00 H new ATOM 1741 N LEU A 108 8.143 -10.589 6.885 1.00 0.00 N ATOM 1742 CA LEU A 108 8.336 -9.510 7.853 1.00 0.00 C ATOM 1743 C LEU A 108 9.309 -9.900 8.962 1.00 0.00 C ATOM 1744 O LEU A 108 8.937 -10.564 9.930 1.00 0.00 O ATOM 1745 CB LEU A 108 6.994 -9.096 8.456 1.00 0.00 C ATOM 1746 CG LEU A 108 5.947 -8.656 7.431 1.00 0.00 C ATOM 1747 CD1 LEU A 108 4.573 -9.207 7.778 1.00 0.00 C ATOM 1748 CD2 LEU A 108 5.910 -7.137 7.311 1.00 0.00 C ATOM 0 H LEU A 108 8.149 -10.281 5.912 1.00 0.00 H new ATOM 0 HA LEU A 108 8.771 -8.666 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.594 -9.932 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 108 7.162 -8.280 9.158 1.00 0.00 H new ATOM 0 HG LEU A 108 6.235 -9.066 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.850 -8.878 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.610 -10.296 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.272 -8.843 8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.158 -6.848 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.658 -6.702 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.887 -6.773 6.992 1.00 0.00 H new ATOM 1760 N ALA A 109 10.556 -9.465 8.817 1.00 0.00 N ATOM 1761 CA ALA A 109 11.588 -9.748 9.807 1.00 0.00 C ATOM 1762 C ALA A 109 11.187 -9.209 11.175 1.00 0.00 C ATOM 1763 O ALA A 109 10.459 -8.223 11.271 1.00 0.00 O ATOM 1764 CB ALA A 109 12.918 -9.152 9.372 1.00 0.00 C ATOM 0 H ALA A 109 10.877 -8.914 8.021 1.00 0.00 H new ATOM 0 HA ALA A 109 11.699 -10.830 9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 109 13.678 -9.372 10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 109 13.215 -9.584 8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 109 12.815 -8.072 9.266 1.00 0.00 H new ATOM 1770 N LYS A 110 11.661 -9.869 12.230 1.00 0.00 N ATOM 1771 CA LYS A 110 11.352 -9.462 13.601 1.00 0.00 C ATOM 1772 C LYS A 110 9.852 -9.248 13.789 1.00 0.00 C ATOM 1773 O LYS A 110 9.079 -9.657 12.897 1.00 0.00 O ATOM 1774 CB LYS A 110 12.119 -8.187 13.970 1.00 0.00 C ATOM 1775 CG LYS A 110 11.632 -6.937 13.250 1.00 0.00 C ATOM 1776 CD LYS A 110 11.987 -5.675 14.021 1.00 0.00 C ATOM 1777 CE LYS A 110 11.473 -4.428 13.318 1.00 0.00 C ATOM 1778 NZ LYS A 110 10.241 -3.896 13.962 1.00 0.00 N ATOM 1779 OXT LYS A 110 9.463 -8.675 14.829 1.00 0.00 O ATOM 0 H LYS A 110 12.262 -10.690 12.162 1.00 0.00 H new ATOM 0 HA LYS A 110 11.666 -10.267 14.266 1.00 0.00 H new ATOM 0 HB2 LYS A 110 12.041 -8.027 15.045 1.00 0.00 H new ATOM 0 HB3 LYS A 110 13.176 -8.334 13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.075 -6.893 12.255 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.552 -6.991 13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 110 11.563 -5.729 15.024 1.00 0.00 H new ATOM 0 HD3 LYS A 110 13.069 -5.610 14.135 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.247 -3.661 13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 110 11.266 -4.660 12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.923 -3.047 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.494 -4.618 13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.445 -3.651 14.952 1.00 0.00 H new TER 1793 LYS A 110