USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 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 63 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.85) USER MOD Set 1.2: A 74 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 THR OG1 : rot 170:sc= -0.31 USER MOD Set 3.1: A 40 SER OG : rot 100:sc= 1.33 USER MOD Set 3.2: A 52 ASN : amide:sc= -0.397 K(o=0.93,f=-7.8!) USER MOD Set 4.1: A 19 THR OG1 : rot -106:sc= 0.938 USER MOD Set 4.2: A 31 ASN : amide:sc= 2.4 K(o=3.3,f=-6.6!) USER MOD Set 5.1: A 1 GLY N :NH3+ -148:sc= 1.21 (180deg=-0.000215) USER MOD Set 5.2: A 96 THR OG1 : rot 61:sc= 2.24 USER MOD Single : A 2 SER OG : rot 71:sc= 1.15 USER MOD Single : A 4 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.689) USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= -0.0791 (180deg=-0.482) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00704 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -79:sc= 0.414 USER MOD Single : A 14 CYS SG : rot -170:sc= -0.926 USER MOD Single : A 16 GLN : amide:sc= 1.17 K(o=1.2,f=-0.76) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0398 USER MOD Single : A 18 HIS : no HE2:sc= 0.953 K(o=0.95,f=-4.2!) USER MOD Single : A 26 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-2.1) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 2.25 (180deg=1.08) USER MOD Single : A 33 HIS : no HE2:sc= 0.604 K(o=0.6,f=-2!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 46 TYR OH : rot 54:sc= 1.28 USER MOD Single : A 47 SER OG : rot 48:sc= 0.492 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 2.17 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc=-0.00607 (180deg=-0.152) USER MOD Single : A 55 LYS NZ :NH3+ -154:sc= -0.532 (180deg=-1.27) USER MOD Single : A 56 ASN : amide:sc= 0.293 K(o=0.29,f=-0.45) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl 176:sc= -0.0491 (180deg=-0.0792) USER MOD Single : A 65 SER OG : rot 180:sc= -0.649 USER MOD Single : A 69 THR OG1 : rot -54:sc= 1.78 USER MOD Single : A 70 ASN : amide:sc= -0.254 K(o=-0.25,f=-3.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 79 LYS NZ :NH3+ 129:sc= 1.25 (180deg=-0.431) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 0.366 (180deg=0.29) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.815 K(o=0.81,f=-6.4!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0084) USER MOD Single : A 102 SER OG : rot -140:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -2.359 3.405 -16.028 1.00 0.00 N ATOM 43 CA GLY A 1 -3.506 4.250 -16.303 1.00 0.00 C ATOM 44 C GLY A 1 -3.061 5.711 -16.350 1.00 0.00 C ATOM 45 O GLY A 1 -2.100 6.049 -17.041 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.483 2.487 -16.500 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.496 3.864 -16.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.274 3.258 -15.002 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.961 3.966 -17.252 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.265 4.114 -15.532 1.00 0.00 H new ATOM 46 N SER A 2 -3.752 6.590 -15.624 1.00 0.00 N ATOM 47 CA SER A 2 -3.690 8.025 -15.870 1.00 0.00 C ATOM 48 C SER A 2 -2.409 8.705 -15.371 1.00 0.00 C ATOM 49 O SER A 2 -2.092 9.796 -15.844 1.00 0.00 O ATOM 50 CB SER A 2 -4.929 8.687 -15.263 1.00 0.00 C ATOM 51 OG SER A 2 -6.099 8.007 -15.673 1.00 0.00 O ATOM 0 H SER A 2 -4.366 6.326 -14.854 1.00 0.00 H new ATOM 0 HA SER A 2 -3.669 8.157 -16.952 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.858 8.679 -14.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.980 9.731 -15.572 1.00 0.00 H new ATOM 0 HG SER A 2 -6.137 7.130 -15.238 1.00 0.00 H new ATOM 52 N ALA A 3 -1.700 8.116 -14.398 1.00 0.00 N ATOM 53 CA ALA A 3 -0.544 8.699 -13.703 1.00 0.00 C ATOM 54 C ALA A 3 -0.959 9.862 -12.806 1.00 0.00 C ATOM 55 O ALA A 3 -0.841 9.785 -11.583 1.00 0.00 O ATOM 56 CB ALA A 3 0.574 9.125 -14.662 1.00 0.00 C ATOM 0 H ALA A 3 -1.926 7.181 -14.060 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.138 7.907 -13.074 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.401 9.548 -14.092 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.925 8.257 -15.220 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.192 9.873 -15.357 1.00 0.00 H new ATOM 57 N LYS A 4 -1.491 10.927 -13.413 1.00 0.00 N ATOM 58 CA LYS A 4 -2.325 11.862 -12.679 1.00 0.00 C ATOM 59 C LYS A 4 -3.570 11.112 -12.184 1.00 0.00 C ATOM 60 O LYS A 4 -3.739 9.937 -12.499 1.00 0.00 O ATOM 61 CB LYS A 4 -2.661 13.090 -13.544 1.00 0.00 C ATOM 62 CG LYS A 4 -3.439 12.749 -14.828 1.00 0.00 C ATOM 63 CD LYS A 4 -3.895 13.969 -15.648 1.00 0.00 C ATOM 64 CE LYS A 4 -2.769 14.676 -16.423 1.00 0.00 C ATOM 65 NZ LYS A 4 -2.028 15.662 -15.608 1.00 0.00 N ATOM 0 H LYS A 4 -1.357 11.155 -14.398 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.795 12.252 -11.810 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.247 13.792 -12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.735 13.597 -13.815 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.813 12.118 -15.459 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.316 12.161 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.660 13.650 -16.355 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.363 14.688 -14.976 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.071 13.928 -16.799 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.195 15.179 -17.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.704 16.442 -16.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.652 16.038 -14.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.206 15.201 -15.169 1.00 0.00 H new ATOM 66 N LYS A 5 -4.444 11.770 -11.416 1.00 0.00 N ATOM 67 CA LYS A 5 -5.704 11.219 -10.902 1.00 0.00 C ATOM 68 C LYS A 5 -5.428 10.305 -9.706 1.00 0.00 C ATOM 69 O LYS A 5 -5.944 10.517 -8.607 1.00 0.00 O ATOM 70 CB LYS A 5 -6.477 10.483 -12.014 1.00 0.00 C ATOM 71 CG LYS A 5 -7.950 10.209 -11.706 1.00 0.00 C ATOM 72 CD LYS A 5 -8.826 11.451 -11.929 1.00 0.00 C ATOM 73 CE LYS A 5 -10.316 11.083 -11.990 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.629 10.192 -13.131 1.00 0.00 N ATOM 0 H LYS A 5 -4.289 12.735 -11.124 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.335 12.040 -10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.416 11.072 -12.929 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.980 9.533 -12.213 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.307 9.396 -12.338 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.048 9.877 -10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.659 12.165 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.533 11.943 -12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.605 10.594 -11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.910 11.994 -12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.640 10.266 -13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.064 10.474 -13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.403 9.209 -12.876 1.00 0.00 H new ATOM 75 N GLY A 6 -4.569 9.311 -9.917 1.00 0.00 N ATOM 76 CA GLY A 6 -4.128 8.377 -8.895 1.00 0.00 C ATOM 77 C GLY A 6 -3.561 9.116 -7.685 1.00 0.00 C ATOM 78 O GLY A 6 -3.785 8.713 -6.545 1.00 0.00 O ATOM 0 H GLY A 6 -4.151 9.132 -10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.965 7.751 -8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.369 7.712 -9.308 1.00 0.00 H new ATOM 79 N ALA A 7 -2.866 10.231 -7.932 1.00 0.00 N ATOM 80 CA ALA A 7 -2.388 11.129 -6.891 1.00 0.00 C ATOM 81 C ALA A 7 -3.545 11.579 -6.000 1.00 0.00 C ATOM 82 O ALA A 7 -3.464 11.491 -4.777 1.00 0.00 O ATOM 83 CB ALA A 7 -1.696 12.335 -7.531 1.00 0.00 C ATOM 0 H ALA A 7 -2.620 10.534 -8.874 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.668 10.600 -6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.339 13.006 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.852 11.994 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.404 12.865 -8.169 1.00 0.00 H new ATOM 84 N THR A 8 -4.627 12.060 -6.610 1.00 0.00 N ATOM 85 CA THR A 8 -5.787 12.548 -5.894 1.00 0.00 C ATOM 86 C THR A 8 -6.395 11.411 -5.073 1.00 0.00 C ATOM 87 O THR A 8 -6.708 11.589 -3.900 1.00 0.00 O ATOM 88 CB THR A 8 -6.775 13.121 -6.918 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.065 13.908 -7.857 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.851 13.974 -6.242 1.00 0.00 C ATOM 0 H THR A 8 -4.716 12.119 -7.624 1.00 0.00 H new ATOM 0 HA THR A 8 -5.518 13.340 -5.195 1.00 0.00 H new ATOM 0 HB THR A 8 -7.272 12.290 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.691 14.276 -8.515 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.534 14.364 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.407 13.362 -5.531 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.380 14.804 -5.716 1.00 0.00 H new ATOM 91 N LEU A 9 -6.526 10.230 -5.683 1.00 0.00 N ATOM 92 CA LEU A 9 -7.070 9.053 -5.032 1.00 0.00 C ATOM 93 C LEU A 9 -6.233 8.704 -3.798 1.00 0.00 C ATOM 94 O LEU A 9 -6.767 8.564 -2.699 1.00 0.00 O ATOM 95 CB LEU A 9 -7.109 7.899 -6.046 1.00 0.00 C ATOM 96 CG LEU A 9 -8.512 7.504 -6.535 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.377 6.936 -5.403 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.217 8.669 -7.238 1.00 0.00 C ATOM 0 H LEU A 9 -6.252 10.071 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.087 9.243 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.505 8.175 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.639 7.025 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.375 6.710 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.359 6.670 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.899 6.048 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.489 7.685 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.205 8.350 -7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.318 9.504 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.629 8.983 -8.101 1.00 0.00 H new ATOM 99 N PHE A 10 -4.912 8.599 -3.971 1.00 0.00 N ATOM 100 CA PHE A 10 -3.986 8.410 -2.863 1.00 0.00 C ATOM 101 C PHE A 10 -4.287 9.442 -1.775 1.00 0.00 C ATOM 102 O PHE A 10 -4.516 9.091 -0.616 1.00 0.00 O ATOM 103 CB PHE A 10 -2.532 8.512 -3.347 1.00 0.00 C ATOM 104 CG PHE A 10 -1.511 8.320 -2.243 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.179 7.020 -1.825 1.00 0.00 C ATOM 106 CD2 PHE A 10 -1.031 9.428 -1.519 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.445 6.828 -0.642 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.287 9.235 -0.342 1.00 0.00 C ATOM 109 CZ PHE A 10 -0.029 7.933 0.118 1.00 0.00 C ATOM 0 H PHE A 10 -4.460 8.643 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.117 7.412 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.362 7.764 -4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.378 9.488 -3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.488 6.168 -2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.235 10.429 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.200 5.828 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.086 10.087 0.208 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.488 7.782 1.054 1.00 0.00 H new ATOM 110 N LYS A 11 -4.328 10.716 -2.174 1.00 0.00 N ATOM 111 CA LYS A 11 -4.552 11.824 -1.261 1.00 0.00 C ATOM 112 C LYS A 11 -5.885 11.718 -0.511 1.00 0.00 C ATOM 113 O LYS A 11 -5.953 12.123 0.647 1.00 0.00 O ATOM 114 CB LYS A 11 -4.359 13.165 -1.980 1.00 0.00 C ATOM 115 CG LYS A 11 -2.864 13.392 -2.257 1.00 0.00 C ATOM 116 CD LYS A 11 -2.611 14.705 -3.005 1.00 0.00 C ATOM 117 CE LYS A 11 -1.096 14.907 -3.170 1.00 0.00 C ATOM 118 NZ LYS A 11 -0.764 16.190 -3.824 1.00 0.00 N ATOM 0 H LYS A 11 -4.205 11.002 -3.145 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.794 11.769 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.917 13.171 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.753 13.977 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.318 13.401 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.474 12.560 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.095 14.681 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.044 15.540 -2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.619 14.868 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.685 14.086 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.269 16.278 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.196 16.219 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.131 16.977 -3.251 1.00 0.00 H new ATOM 119 N THR A 12 -6.938 11.180 -1.131 1.00 0.00 N ATOM 120 CA THR A 12 -8.246 11.083 -0.493 1.00 0.00 C ATOM 121 C THR A 12 -8.484 9.744 0.217 1.00 0.00 C ATOM 122 O THR A 12 -9.476 9.637 0.939 1.00 0.00 O ATOM 123 CB THR A 12 -9.345 11.387 -1.521 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.211 10.539 -2.641 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.267 12.849 -1.977 1.00 0.00 C ATOM 0 H THR A 12 -6.906 10.804 -2.079 1.00 0.00 H new ATOM 0 HA THR A 12 -8.278 11.831 0.299 1.00 0.00 H new ATOM 0 HB THR A 12 -10.312 11.214 -1.048 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.498 10.876 -3.223 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.054 13.045 -2.705 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.397 13.506 -1.117 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.295 13.036 -2.433 1.00 0.00 H new ATOM 126 N ARG A 13 -7.634 8.722 0.030 1.00 0.00 N ATOM 127 CA ARG A 13 -7.895 7.379 0.563 1.00 0.00 C ATOM 128 C ARG A 13 -6.751 6.833 1.410 1.00 0.00 C ATOM 129 O ARG A 13 -6.999 6.231 2.454 1.00 0.00 O ATOM 130 CB ARG A 13 -8.238 6.404 -0.574 1.00 0.00 C ATOM 131 CG ARG A 13 -9.487 6.900 -1.322 1.00 0.00 C ATOM 132 CD ARG A 13 -10.227 5.752 -2.017 1.00 0.00 C ATOM 133 NE ARG A 13 -10.881 4.856 -1.045 1.00 0.00 N ATOM 134 CZ ARG A 13 -12.060 5.080 -0.439 1.00 0.00 C ATOM 135 NH1 ARG A 13 -12.711 6.229 -0.657 1.00 0.00 N ATOM 136 NH2 ARG A 13 -12.580 4.158 0.381 1.00 0.00 N ATOM 0 H ARG A 13 -6.759 8.802 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.753 7.474 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.397 6.324 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.416 5.407 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.159 7.394 -0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.196 7.645 -2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.975 6.160 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.524 5.180 -2.623 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.396 3.990 -0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.312 6.931 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.606 6.403 -0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.081 3.284 0.547 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.475 4.330 0.840 1.00 0.00 H new ATOM 137 N CYS A 14 -5.511 6.990 0.953 1.00 0.00 N ATOM 138 CA CYS A 14 -4.349 6.338 1.546 1.00 0.00 C ATOM 139 C CYS A 14 -3.626 7.319 2.472 1.00 0.00 C ATOM 140 O CYS A 14 -3.243 6.974 3.594 1.00 0.00 O ATOM 141 CB CYS A 14 -3.422 5.873 0.452 1.00 0.00 C ATOM 142 SG CYS A 14 -4.201 4.945 -0.907 1.00 0.00 S ATOM 0 H CYS A 14 -5.284 7.580 0.152 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.671 5.475 2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.922 6.745 0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.650 5.247 0.898 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.279 4.428 -1.664 1.00 0.00 H new ATOM 143 N LEU A 15 -3.455 8.555 1.987 1.00 0.00 N ATOM 144 CA LEU A 15 -2.680 9.618 2.622 1.00 0.00 C ATOM 145 C LEU A 15 -3.011 9.782 4.099 1.00 0.00 C ATOM 146 O LEU A 15 -2.126 10.071 4.898 1.00 0.00 O ATOM 147 CB LEU A 15 -2.915 10.929 1.865 1.00 0.00 C ATOM 148 CG LEU A 15 -2.379 12.183 2.581 1.00 0.00 C ATOM 149 CD1 LEU A 15 -1.810 13.182 1.570 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.470 12.908 3.383 1.00 0.00 C ATOM 0 H LEU A 15 -3.872 8.850 1.104 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.627 9.342 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.445 10.857 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.985 11.051 1.698 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.604 11.832 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.437 14.060 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.994 12.716 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.594 13.482 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.042 13.785 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.269 13.220 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.874 12.235 4.139 1.00 0.00 H new ATOM 151 N GLN A 16 -4.284 9.649 4.469 1.00 0.00 N ATOM 152 CA GLN A 16 -4.705 9.704 5.861 1.00 0.00 C ATOM 153 C GLN A 16 -3.756 8.889 6.755 1.00 0.00 C ATOM 154 O GLN A 16 -3.233 9.421 7.738 1.00 0.00 O ATOM 155 CB GLN A 16 -6.180 9.297 6.012 1.00 0.00 C ATOM 156 CG GLN A 16 -6.541 7.941 5.388 1.00 0.00 C ATOM 157 CD GLN A 16 -8.008 7.576 5.604 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.625 7.984 6.581 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.585 6.794 4.697 1.00 0.00 N ATOM 0 H GLN A 16 -5.049 9.500 3.810 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.640 10.736 6.204 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.428 9.270 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.803 10.067 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.329 7.967 4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.908 7.165 5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.051 6.467 3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.562 6.521 4.806 1.00 0.00 H new ATOM 160 N CYS A 17 -3.471 7.644 6.363 1.00 0.00 N ATOM 161 CA CYS A 17 -2.740 6.677 7.170 1.00 0.00 C ATOM 162 C CYS A 17 -1.268 6.577 6.763 1.00 0.00 C ATOM 163 O CYS A 17 -0.420 6.337 7.625 1.00 0.00 O ATOM 164 CB CYS A 17 -3.388 5.324 7.045 1.00 0.00 C ATOM 165 SG CYS A 17 -5.018 5.285 7.852 1.00 0.00 S ATOM 0 H CYS A 17 -3.751 7.277 5.453 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.774 7.021 8.204 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.497 5.068 5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.742 4.568 7.491 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.540 4.102 7.718 1.00 0.00 H new ATOM 166 N HIS A 18 -0.989 6.723 5.463 1.00 0.00 N ATOM 167 CA HIS A 18 0.321 6.525 4.840 1.00 0.00 C ATOM 168 C HIS A 18 0.985 7.829 4.396 1.00 0.00 C ATOM 169 O HIS A 18 0.435 8.918 4.545 1.00 0.00 O ATOM 170 CB HIS A 18 0.131 5.611 3.624 1.00 0.00 C ATOM 171 CG HIS A 18 -0.106 4.183 4.010 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.886 3.267 4.242 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.295 3.513 3.977 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.316 2.059 4.324 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.011 2.157 4.173 1.00 0.00 N ATOM 0 H HIS A 18 -1.703 6.995 4.788 1.00 0.00 H new ATOM 0 HA HIS A 18 0.982 6.082 5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.712 5.969 3.033 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.014 5.670 2.988 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.881 3.470 4.336 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.272 3.948 3.828 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.851 1.135 4.489 1.00 0.00 H new ATOM 176 N THR A 19 2.175 7.681 3.807 1.00 0.00 N ATOM 177 CA THR A 19 2.857 8.670 2.990 1.00 0.00 C ATOM 178 C THR A 19 3.552 7.957 1.817 1.00 0.00 C ATOM 179 O THR A 19 3.857 6.767 1.915 1.00 0.00 O ATOM 180 CB THR A 19 3.862 9.462 3.839 1.00 0.00 C ATOM 181 OG1 THR A 19 4.699 8.604 4.598 1.00 0.00 O ATOM 182 CG2 THR A 19 3.147 10.438 4.776 1.00 0.00 C ATOM 0 H THR A 19 2.712 6.818 3.897 1.00 0.00 H new ATOM 0 HA THR A 19 2.135 9.382 2.590 1.00 0.00 H new ATOM 0 HB THR A 19 4.484 10.026 3.144 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.425 8.628 5.539 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.885 10.984 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.558 11.142 4.188 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.488 9.884 5.445 1.00 0.00 H new ATOM 183 N VAL A 20 3.769 8.684 0.715 1.00 0.00 N ATOM 184 CA VAL A 20 4.481 8.257 -0.495 1.00 0.00 C ATOM 185 C VAL A 20 5.818 9.002 -0.647 1.00 0.00 C ATOM 186 O VAL A 20 6.715 8.550 -1.358 1.00 0.00 O ATOM 187 CB VAL A 20 3.540 8.465 -1.697 1.00 0.00 C ATOM 188 CG1 VAL A 20 4.226 8.795 -3.027 1.00 0.00 C ATOM 189 CG2 VAL A 20 2.682 7.212 -1.884 1.00 0.00 C ATOM 0 H VAL A 20 3.432 9.644 0.640 1.00 0.00 H new ATOM 0 HA VAL A 20 4.744 7.201 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 20 2.947 9.345 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.472 8.921 -3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.797 9.717 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.898 7.982 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.013 7.352 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.327 6.353 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.093 7.037 -0.984 1.00 0.00 H new ATOM 190 N GLU A 21 5.944 10.162 0.006 1.00 0.00 N ATOM 191 CA GLU A 21 7.123 11.009 -0.054 1.00 0.00 C ATOM 192 C GLU A 21 8.339 10.282 0.527 1.00 0.00 C ATOM 193 O GLU A 21 8.188 9.318 1.277 1.00 0.00 O ATOM 194 CB GLU A 21 6.819 12.301 0.712 1.00 0.00 C ATOM 195 CG GLU A 21 5.622 13.049 0.103 1.00 0.00 C ATOM 196 CD GLU A 21 5.178 14.182 1.014 1.00 0.00 C ATOM 197 OE1 GLU A 21 5.784 15.268 0.903 1.00 0.00 O ATOM 198 OE2 GLU A 21 4.250 13.923 1.810 1.00 0.00 O ATOM 0 H GLU A 21 5.208 10.540 0.603 1.00 0.00 H new ATOM 0 HA GLU A 21 7.366 11.250 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.610 12.066 1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.697 12.947 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.894 13.447 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.795 12.356 -0.054 1.00 0.00 H new ATOM 216 N PRO A 25 6.804 9.764 7.546 1.00 0.00 N ATOM 217 CA PRO A 25 6.346 9.205 8.806 1.00 0.00 C ATOM 218 C PRO A 25 5.480 7.961 8.574 1.00 0.00 C ATOM 219 O PRO A 25 4.501 8.006 7.825 1.00 0.00 O ATOM 220 CB PRO A 25 5.552 10.329 9.477 1.00 0.00 C ATOM 221 CG PRO A 25 5.046 11.168 8.299 1.00 0.00 C ATOM 222 CD PRO A 25 6.174 11.045 7.279 1.00 0.00 C ATOM 0 HA PRO A 25 7.174 8.873 9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.728 9.937 10.073 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.179 10.917 10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.104 10.785 7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.874 12.205 8.587 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.788 11.087 6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.888 11.862 7.383 1.00 0.00 H new ATOM 223 N HIS A 26 5.797 6.866 9.276 1.00 0.00 N ATOM 224 CA HIS A 26 4.981 5.653 9.305 1.00 0.00 C ATOM 225 C HIS A 26 3.797 5.887 10.254 1.00 0.00 C ATOM 226 O HIS A 26 3.689 5.225 11.282 1.00 0.00 O ATOM 227 CB HIS A 26 5.822 4.429 9.734 1.00 0.00 C ATOM 228 CG HIS A 26 7.113 4.239 8.970 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.365 3.283 8.011 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.276 4.936 9.164 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.634 3.446 7.597 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.232 4.433 8.279 1.00 0.00 N ATOM 0 H HIS A 26 6.640 6.800 9.847 1.00 0.00 H new ATOM 0 HA HIS A 26 4.603 5.436 8.306 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.056 4.522 10.795 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.214 3.532 9.619 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.427 5.734 9.876 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.107 2.862 6.821 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.195 4.753 8.173 1.00 0.00 H new ATOM 233 N LYS A 27 2.954 6.876 9.931 1.00 0.00 N ATOM 234 CA LYS A 27 1.917 7.420 10.799 1.00 0.00 C ATOM 235 C LYS A 27 1.027 6.325 11.394 1.00 0.00 C ATOM 236 O LYS A 27 1.149 5.987 12.569 1.00 0.00 O ATOM 237 CB LYS A 27 1.054 8.379 9.982 1.00 0.00 C ATOM 238 CG LYS A 27 1.705 9.714 9.630 1.00 0.00 C ATOM 239 CD LYS A 27 0.646 10.637 9.006 1.00 0.00 C ATOM 240 CE LYS A 27 0.096 10.069 7.685 1.00 0.00 C ATOM 241 NZ LYS A 27 -1.033 10.846 7.152 1.00 0.00 N ATOM 0 H LYS A 27 2.982 7.333 9.020 1.00 0.00 H new ATOM 0 HA LYS A 27 2.403 7.934 11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.765 7.881 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.137 8.577 10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.127 10.175 10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.528 9.559 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.174 10.777 9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.082 11.620 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.896 10.046 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.222 9.038 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.175 10.608 6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.895 10.618 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.828 11.862 7.241 1.00 0.00 H new ATOM 242 N VAL A 28 0.094 5.812 10.587 1.00 0.00 N ATOM 243 CA VAL A 28 -0.720 4.660 10.927 1.00 0.00 C ATOM 244 C VAL A 28 -0.230 3.502 10.077 1.00 0.00 C ATOM 245 O VAL A 28 0.006 2.430 10.621 1.00 0.00 O ATOM 246 CB VAL A 28 -2.212 4.956 10.715 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.070 3.696 10.868 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.691 5.959 11.761 1.00 0.00 C ATOM 0 H VAL A 28 -0.114 6.198 9.666 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.621 4.407 11.983 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.319 5.348 9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.119 3.949 10.710 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.761 2.954 10.132 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.942 3.288 11.871 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.750 6.167 11.608 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.543 5.544 12.758 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.122 6.884 11.665 1.00 0.00 H new ATOM 249 N GLY A 29 -0.071 3.714 8.767 1.00 0.00 N ATOM 250 CA GLY A 29 0.532 2.751 7.863 1.00 0.00 C ATOM 251 C GLY A 29 1.958 3.186 7.524 1.00 0.00 C ATOM 252 O GLY A 29 2.275 4.373 7.611 1.00 0.00 O ATOM 0 H GLY A 29 -0.365 4.575 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.542 1.763 8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.061 2.672 6.952 1.00 0.00 H new ATOM 253 N PRO A 30 2.839 2.246 7.151 1.00 0.00 N ATOM 254 CA PRO A 30 4.227 2.539 6.854 1.00 0.00 C ATOM 255 C PRO A 30 4.375 3.316 5.553 1.00 0.00 C ATOM 256 O PRO A 30 3.561 3.188 4.644 1.00 0.00 O ATOM 257 CB PRO A 30 4.939 1.189 6.771 1.00 0.00 C ATOM 258 CG PRO A 30 3.816 0.236 6.367 1.00 0.00 C ATOM 259 CD PRO A 30 2.589 0.822 7.064 1.00 0.00 C ATOM 0 HA PRO A 30 4.661 3.172 7.628 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.743 1.201 6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.384 0.908 7.725 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.686 0.203 5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.016 -0.784 6.695 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.680 0.617 6.498 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.454 0.386 8.054 1.00 0.00 H new ATOM 260 N ASN A 31 5.437 4.110 5.452 1.00 0.00 N ATOM 261 CA ASN A 31 5.717 4.871 4.244 1.00 0.00 C ATOM 262 C ASN A 31 5.883 3.945 3.033 1.00 0.00 C ATOM 263 O ASN A 31 6.582 2.932 3.111 1.00 0.00 O ATOM 264 CB ASN A 31 6.973 5.711 4.452 1.00 0.00 C ATOM 265 CG ASN A 31 7.328 6.436 3.163 1.00 0.00 C ATOM 266 OD1 ASN A 31 8.095 5.918 2.360 1.00 0.00 O ATOM 267 ND2 ASN A 31 6.744 7.604 2.923 1.00 0.00 N ATOM 0 H ASN A 31 6.120 4.242 6.198 1.00 0.00 H new ATOM 0 HA ASN A 31 4.872 5.529 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.810 6.432 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.801 5.073 4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.929 8.097 2.049 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.110 8.009 3.612 1.00 0.00 H new ATOM 268 N LEU A 32 5.241 4.296 1.916 1.00 0.00 N ATOM 269 CA LEU A 32 5.157 3.469 0.719 1.00 0.00 C ATOM 270 C LEU A 32 6.141 3.919 -0.367 1.00 0.00 C ATOM 271 O LEU A 32 6.062 3.453 -1.503 1.00 0.00 O ATOM 272 CB LEU A 32 3.706 3.492 0.208 1.00 0.00 C ATOM 273 CG LEU A 32 2.684 2.986 1.243 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.277 3.045 0.642 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.976 1.546 1.689 1.00 0.00 C ATOM 0 H LEU A 32 4.754 5.187 1.821 1.00 0.00 H new ATOM 0 HA LEU A 32 5.441 2.448 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.446 4.511 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.636 2.879 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 32 2.758 3.631 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.553 2.687 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.040 4.074 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.235 2.416 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.229 1.233 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.939 0.883 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.967 1.499 2.141 1.00 0.00 H new ATOM 276 N HIS A 33 7.096 4.795 -0.046 1.00 0.00 N ATOM 277 CA HIS A 33 8.108 5.188 -1.011 1.00 0.00 C ATOM 278 C HIS A 33 8.963 3.969 -1.359 1.00 0.00 C ATOM 279 O HIS A 33 9.334 3.202 -0.466 1.00 0.00 O ATOM 280 CB HIS A 33 8.967 6.313 -0.440 1.00 0.00 C ATOM 281 CG HIS A 33 9.769 7.005 -1.503 1.00 0.00 C ATOM 282 ND1 HIS A 33 9.276 7.916 -2.406 1.00 0.00 N ATOM 283 CD2 HIS A 33 11.102 6.836 -1.750 1.00 0.00 C ATOM 284 CE1 HIS A 33 10.304 8.297 -3.184 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.442 7.687 -2.802 1.00 0.00 N ATOM 0 H HIS A 33 7.184 5.239 0.868 1.00 0.00 H new ATOM 0 HA HIS A 33 7.632 5.558 -1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.327 7.039 0.061 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.640 5.907 0.315 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.312 8.242 -2.473 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.770 6.167 -1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.228 8.997 -4.003 1.00 0.00 H new ATOM 286 N GLY A 34 9.257 3.770 -2.645 1.00 0.00 N ATOM 287 CA GLY A 34 9.993 2.625 -3.158 1.00 0.00 C ATOM 288 C GLY A 34 9.336 1.278 -2.846 1.00 0.00 C ATOM 289 O GLY A 34 10.050 0.278 -2.755 1.00 0.00 O ATOM 0 H GLY A 34 8.979 4.424 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.097 2.726 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.999 2.634 -2.738 1.00 0.00 H new ATOM 290 N ILE A 35 8.020 1.235 -2.608 1.00 0.00 N ATOM 291 CA ILE A 35 7.341 -0.002 -2.231 1.00 0.00 C ATOM 292 C ILE A 35 7.460 -1.061 -3.330 1.00 0.00 C ATOM 293 O ILE A 35 7.698 -2.228 -3.025 1.00 0.00 O ATOM 294 CB ILE A 35 5.889 0.279 -1.798 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.126 -0.955 -1.295 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.029 0.854 -2.913 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.530 -1.329 0.121 1.00 0.00 C ATOM 0 H ILE A 35 7.406 2.047 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 35 7.842 -0.425 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 35 6.031 0.996 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.054 -0.758 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.316 -1.796 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.019 1.028 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.458 1.796 -3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.993 0.150 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.968 -2.207 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.597 -1.552 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.316 -0.497 0.792 1.00 0.00 H new ATOM 298 N PHE A 36 7.322 -0.670 -4.602 1.00 0.00 N ATOM 299 CA PHE A 36 7.341 -1.626 -5.704 1.00 0.00 C ATOM 300 C PHE A 36 8.773 -2.071 -5.992 1.00 0.00 C ATOM 301 O PHE A 36 9.365 -1.659 -6.988 1.00 0.00 O ATOM 302 CB PHE A 36 6.664 -1.043 -6.951 1.00 0.00 C ATOM 303 CG PHE A 36 5.163 -0.882 -6.816 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.632 0.262 -6.196 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.298 -1.929 -7.192 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.263 0.338 -5.919 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.911 -1.808 -6.992 1.00 0.00 C ATOM 308 CZ PHE A 36 2.391 -0.664 -6.364 1.00 0.00 C ATOM 0 H PHE A 36 7.196 0.301 -4.889 1.00 0.00 H new ATOM 0 HA PHE A 36 6.769 -2.507 -5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.105 -0.071 -7.171 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.875 -1.689 -7.803 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.282 1.084 -5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.701 -2.827 -7.635 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.875 1.175 -5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.247 -2.593 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.325 -0.558 -6.225 1.00 0.00 H new ATOM 309 N GLY A 37 9.323 -2.923 -5.127 1.00 0.00 N ATOM 310 CA GLY A 37 10.637 -3.506 -5.323 1.00 0.00 C ATOM 311 C GLY A 37 10.959 -4.490 -4.205 1.00 0.00 C ATOM 312 O GLY A 37 11.171 -5.674 -4.458 1.00 0.00 O ATOM 0 H GLY A 37 8.862 -3.225 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.675 -4.016 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.390 -2.718 -5.350 1.00 0.00 H new ATOM 313 N ARG A 38 11.024 -3.994 -2.967 1.00 0.00 N ATOM 314 CA ARG A 38 11.323 -4.826 -1.815 1.00 0.00 C ATOM 315 C ARG A 38 10.074 -5.573 -1.343 1.00 0.00 C ATOM 316 O ARG A 38 8.957 -5.091 -1.511 1.00 0.00 O ATOM 317 CB ARG A 38 11.985 -4.004 -0.699 1.00 0.00 C ATOM 318 CG ARG A 38 11.051 -3.150 0.174 1.00 0.00 C ATOM 319 CD ARG A 38 10.557 -1.871 -0.501 1.00 0.00 C ATOM 320 NE ARG A 38 9.838 -1.009 0.458 1.00 0.00 N ATOM 321 CZ ARG A 38 9.899 0.334 0.508 1.00 0.00 C ATOM 322 NH1 ARG A 38 10.730 1.000 -0.290 1.00 0.00 N ATOM 323 NH2 ARG A 38 9.095 1.035 1.313 1.00 0.00 N ATOM 0 H ARG A 38 10.871 -3.011 -2.743 1.00 0.00 H new ATOM 0 HA ARG A 38 12.047 -5.585 -2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.528 -4.689 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.723 -3.344 -1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.189 -3.752 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.574 -2.884 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.403 -1.327 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.898 -2.125 -1.331 1.00 0.00 H new ATOM 0 HE ARG A 38 9.242 -1.473 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.325 0.492 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.772 2.018 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.419 0.552 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.158 2.053 1.336 1.00 0.00 H new ATOM 324 N GLN A 39 10.278 -6.735 -0.718 1.00 0.00 N ATOM 325 CA GLN A 39 9.213 -7.539 -0.160 1.00 0.00 C ATOM 326 C GLN A 39 8.520 -6.816 1.006 1.00 0.00 C ATOM 327 O GLN A 39 9.030 -5.833 1.545 1.00 0.00 O ATOM 328 CB GLN A 39 9.817 -8.867 0.307 1.00 0.00 C ATOM 329 CG GLN A 39 10.379 -9.708 -0.848 1.00 0.00 C ATOM 330 CD GLN A 39 11.034 -10.998 -0.361 1.00 0.00 C ATOM 331 OE1 GLN A 39 10.838 -11.423 0.772 1.00 0.00 O ATOM 332 NE2 GLN A 39 11.826 -11.636 -1.219 1.00 0.00 N ATOM 0 H GLN A 39 11.205 -7.141 -0.589 1.00 0.00 H new ATOM 0 HA GLN A 39 8.451 -7.717 -0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.613 -8.666 1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.054 -9.443 0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.575 -9.951 -1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.110 -9.119 -1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.971 -11.260 -2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.288 -12.502 -0.940 1.00 0.00 H new ATOM 333 N SER A 40 7.355 -7.327 1.395 1.00 0.00 N ATOM 334 CA SER A 40 6.550 -6.845 2.499 1.00 0.00 C ATOM 335 C SER A 40 7.267 -7.098 3.827 1.00 0.00 C ATOM 336 O SER A 40 8.172 -7.930 3.893 1.00 0.00 O ATOM 337 CB SER A 40 5.179 -7.528 2.426 1.00 0.00 C ATOM 338 OG SER A 40 5.245 -8.886 2.814 1.00 0.00 O ATOM 0 H SER A 40 6.932 -8.126 0.923 1.00 0.00 H new ATOM 0 HA SER A 40 6.401 -5.767 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.476 -7.000 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.793 -7.459 1.409 1.00 0.00 H new ATOM 0 HG SER A 40 4.936 -8.977 3.740 1.00 0.00 H new ATOM 339 N GLY A 41 6.871 -6.390 4.888 1.00 0.00 N ATOM 340 CA GLY A 41 7.482 -6.599 6.195 1.00 0.00 C ATOM 341 C GLY A 41 8.971 -6.238 6.156 1.00 0.00 C ATOM 342 O GLY A 41 9.826 -7.048 6.503 1.00 0.00 O ATOM 0 H GLY A 41 6.141 -5.678 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.974 -5.990 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.362 -7.639 6.497 1.00 0.00 H new ATOM 370 N TYR A 46 9.343 0.202 12.332 1.00 0.00 N ATOM 371 CA TYR A 46 7.953 0.572 12.557 1.00 0.00 C ATOM 372 C TYR A 46 7.171 -0.623 13.131 1.00 0.00 C ATOM 373 O TYR A 46 7.528 -1.780 12.919 1.00 0.00 O ATOM 374 CB TYR A 46 7.379 1.108 11.239 1.00 0.00 C ATOM 375 CG TYR A 46 5.877 1.014 11.119 1.00 0.00 C ATOM 376 CD1 TYR A 46 5.037 1.961 11.738 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.319 -0.098 10.471 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.641 1.809 11.680 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.932 -0.201 10.355 1.00 0.00 C ATOM 380 CZ TYR A 46 3.093 0.703 11.012 1.00 0.00 C ATOM 381 OH TYR A 46 1.751 0.505 10.948 1.00 0.00 O ATOM 0 HA TYR A 46 7.869 1.364 13.302 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.674 2.151 11.128 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.831 0.560 10.412 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.466 2.805 12.258 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.958 -0.868 10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.995 2.538 12.146 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.503 -0.987 9.751 1.00 0.00 H new ATOM 0 HH TYR A 46 1.318 1.308 10.591 1.00 0.00 H new ATOM 382 N SER A 47 6.091 -0.342 13.868 1.00 0.00 N ATOM 383 CA SER A 47 5.261 -1.333 14.536 1.00 0.00 C ATOM 384 C SER A 47 4.515 -2.202 13.518 1.00 0.00 C ATOM 385 O SER A 47 3.414 -1.842 13.104 1.00 0.00 O ATOM 386 CB SER A 47 4.276 -0.579 15.434 1.00 0.00 C ATOM 387 OG SER A 47 3.650 0.431 14.667 1.00 0.00 O ATOM 0 H SER A 47 5.766 0.613 14.017 1.00 0.00 H new ATOM 0 HA SER A 47 5.881 -2.004 15.131 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.531 -1.264 15.838 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.798 -0.140 16.284 1.00 0.00 H new ATOM 0 HG SER A 47 3.337 0.051 13.819 1.00 0.00 H new ATOM 388 N TYR A 48 5.124 -3.325 13.136 1.00 0.00 N ATOM 389 CA TYR A 48 4.657 -4.261 12.126 1.00 0.00 C ATOM 390 C TYR A 48 3.950 -5.479 12.736 1.00 0.00 C ATOM 391 O TYR A 48 3.628 -5.479 13.925 1.00 0.00 O ATOM 392 CB TYR A 48 5.908 -4.719 11.371 1.00 0.00 C ATOM 393 CG TYR A 48 6.246 -3.989 10.101 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.269 -3.589 9.162 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.579 -4.088 9.707 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.656 -3.184 7.872 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.932 -3.824 8.390 1.00 0.00 C ATOM 398 CZ TYR A 48 7.001 -3.286 7.490 1.00 0.00 C ATOM 399 OH TYR A 48 7.391 -3.003 6.213 1.00 0.00 O ATOM 0 H TYR A 48 6.008 -3.618 13.551 1.00 0.00 H new ATOM 0 HA TYR A 48 3.926 -3.776 11.479 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.760 -4.636 12.046 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.792 -5.776 11.133 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.224 -3.594 9.435 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.336 -4.369 10.424 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.922 -2.797 7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.937 -4.036 8.055 1.00 0.00 H new ATOM 0 HH TYR A 48 8.360 -3.127 6.132 1.00 0.00 H new ATOM 400 N THR A 49 3.756 -6.537 11.934 1.00 0.00 N ATOM 401 CA THR A 49 3.257 -7.826 12.392 1.00 0.00 C ATOM 402 C THR A 49 4.153 -8.971 11.905 1.00 0.00 C ATOM 403 O THR A 49 4.699 -8.921 10.800 1.00 0.00 O ATOM 404 CB THR A 49 1.810 -8.043 11.924 1.00 0.00 C ATOM 405 OG1 THR A 49 1.735 -8.384 10.555 1.00 0.00 O ATOM 406 CG2 THR A 49 0.940 -6.808 12.135 1.00 0.00 C ATOM 0 H THR A 49 3.947 -6.512 10.932 1.00 0.00 H new ATOM 0 HA THR A 49 3.274 -7.823 13.482 1.00 0.00 H new ATOM 0 HB THR A 49 1.440 -8.867 12.535 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.798 -8.519 10.302 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.073 -7.013 11.788 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.917 -6.556 13.195 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.354 -5.971 11.572 1.00 0.00 H new ATOM 407 N ASP A 50 4.242 -10.035 12.715 1.00 0.00 N ATOM 408 CA ASP A 50 4.742 -11.336 12.282 1.00 0.00 C ATOM 409 C ASP A 50 4.042 -11.744 10.992 1.00 0.00 C ATOM 410 O ASP A 50 4.677 -12.077 10.001 1.00 0.00 O ATOM 411 CB ASP A 50 4.448 -12.385 13.355 1.00 0.00 C ATOM 412 CG ASP A 50 4.693 -13.792 12.816 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.875 -14.176 12.706 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.685 -14.445 12.474 1.00 0.00 O ATOM 0 H ASP A 50 3.965 -10.011 13.696 1.00 0.00 H new ATOM 0 HA ASP A 50 5.817 -11.268 12.118 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.080 -12.209 14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.414 -12.292 13.687 1.00 0.00 H new ATOM 415 N ALA A 51 2.713 -11.706 11.030 1.00 0.00 N ATOM 416 CA ALA A 51 1.861 -12.097 9.921 1.00 0.00 C ATOM 417 C ALA A 51 2.328 -11.482 8.598 1.00 0.00 C ATOM 418 O ALA A 51 2.491 -12.220 7.629 1.00 0.00 O ATOM 419 CB ALA A 51 0.410 -11.749 10.237 1.00 0.00 C ATOM 0 H ALA A 51 2.192 -11.396 11.850 1.00 0.00 H new ATOM 0 HA ALA A 51 1.933 -13.177 9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.225 -12.044 9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.096 -12.279 11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.320 -10.675 10.399 1.00 0.00 H new ATOM 420 N ASN A 52 2.568 -10.163 8.536 1.00 0.00 N ATOM 421 CA ASN A 52 3.100 -9.552 7.317 1.00 0.00 C ATOM 422 C ASN A 52 4.424 -10.217 6.923 1.00 0.00 C ATOM 423 O ASN A 52 4.548 -10.702 5.802 1.00 0.00 O ATOM 424 CB ASN A 52 3.217 -8.024 7.453 1.00 0.00 C ATOM 425 CG ASN A 52 3.695 -7.330 6.167 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.248 -7.960 5.269 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.479 -6.023 6.045 1.00 0.00 N ATOM 0 H ASN A 52 2.404 -9.512 9.304 1.00 0.00 H new ATOM 0 HA ASN A 52 2.395 -9.726 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.247 -7.617 7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.910 -7.791 8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.773 -5.534 5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.019 -5.510 6.797 1.00 0.00 H new ATOM 428 N ILE A 53 5.387 -10.298 7.846 1.00 0.00 N ATOM 429 CA ILE A 53 6.679 -10.934 7.589 1.00 0.00 C ATOM 430 C ILE A 53 6.482 -12.343 7.007 1.00 0.00 C ATOM 431 O ILE A 53 6.985 -12.653 5.930 1.00 0.00 O ATOM 432 CB ILE A 53 7.549 -10.930 8.865 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.867 -9.481 9.281 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.849 -11.715 8.636 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.541 -9.393 10.652 1.00 0.00 C ATOM 0 H ILE A 53 5.291 -9.925 8.790 1.00 0.00 H new ATOM 0 HA ILE A 53 7.219 -10.357 6.838 1.00 0.00 H new ATOM 0 HB ILE A 53 6.992 -11.415 9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.516 -9.027 8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.944 -8.901 9.297 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.448 -11.700 9.547 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.610 -12.746 8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.413 -11.256 7.824 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.741 -8.349 10.893 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.883 -9.820 11.409 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.479 -9.947 10.632 1.00 0.00 H new ATOM 436 N LYS A 54 5.733 -13.210 7.690 1.00 0.00 N ATOM 437 CA LYS A 54 5.466 -14.560 7.206 1.00 0.00 C ATOM 438 C LYS A 54 4.752 -14.522 5.852 1.00 0.00 C ATOM 439 O LYS A 54 5.007 -15.358 4.988 1.00 0.00 O ATOM 440 CB LYS A 54 4.667 -15.366 8.238 1.00 0.00 C ATOM 441 CG LYS A 54 5.414 -15.469 9.577 1.00 0.00 C ATOM 442 CD LYS A 54 4.776 -16.492 10.529 1.00 0.00 C ATOM 443 CE LYS A 54 4.999 -17.961 10.144 1.00 0.00 C ATOM 444 NZ LYS A 54 6.433 -18.318 10.143 1.00 0.00 N ATOM 0 H LYS A 54 5.298 -12.996 8.588 1.00 0.00 H new ATOM 0 HA LYS A 54 6.421 -15.065 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.697 -14.894 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.475 -16.366 7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.451 -15.748 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.429 -14.491 10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.173 -16.330 11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.704 -16.303 10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.465 -18.605 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.578 -18.145 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.533 -19.351 10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.901 -17.874 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.876 -17.980 11.021 1.00 0.00 H new ATOM 445 N LYS A 55 3.878 -13.536 5.637 1.00 0.00 N ATOM 446 CA LYS A 55 3.213 -13.286 4.368 1.00 0.00 C ATOM 447 C LYS A 55 4.100 -12.466 3.422 1.00 0.00 C ATOM 448 O LYS A 55 3.565 -11.781 2.559 1.00 0.00 O ATOM 449 CB LYS A 55 1.851 -12.628 4.643 1.00 0.00 C ATOM 450 CG LYS A 55 0.827 -12.681 3.497 1.00 0.00 C ATOM 451 CD LYS A 55 0.498 -14.065 2.915 1.00 0.00 C ATOM 452 CE LYS A 55 -0.078 -15.056 3.940 1.00 0.00 C ATOM 453 NZ LYS A 55 0.956 -15.674 4.798 1.00 0.00 N ATOM 0 H LYS A 55 3.610 -12.874 6.365 1.00 0.00 H new ATOM 0 HA LYS A 55 3.035 -14.228 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.410 -13.105 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.022 -11.583 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.102 -12.234 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.194 -12.052 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.217 -13.944 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.404 -14.491 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.801 -14.538 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.620 -15.841 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.620 -16.599 5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.831 -15.802 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.146 -15.056 5.613 1.00 0.00 H new ATOM 454 N ASN A 56 5.429 -12.570 3.561 1.00 0.00 N ATOM 455 CA ASN A 56 6.444 -12.094 2.621 1.00 0.00 C ATOM 456 C ASN A 56 5.935 -12.006 1.175 1.00 0.00 C ATOM 457 O ASN A 56 5.844 -13.008 0.470 1.00 0.00 O ATOM 458 CB ASN A 56 7.724 -12.948 2.716 1.00 0.00 C ATOM 459 CG ASN A 56 7.603 -14.376 2.176 1.00 0.00 C ATOM 460 OD1 ASN A 56 8.278 -14.736 1.218 1.00 0.00 O ATOM 461 ND2 ASN A 56 6.788 -15.233 2.791 1.00 0.00 N ATOM 0 H ASN A 56 5.844 -13.014 4.380 1.00 0.00 H new ATOM 0 HA ASN A 56 6.686 -11.073 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.521 -12.439 2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.031 -12.998 3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.722 -16.197 2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.230 -14.924 3.587 1.00 0.00 H new ATOM 462 N VAL A 57 5.578 -10.797 0.742 1.00 0.00 N ATOM 463 CA VAL A 57 4.969 -10.521 -0.549 1.00 0.00 C ATOM 464 C VAL A 57 5.830 -9.487 -1.266 1.00 0.00 C ATOM 465 O VAL A 57 6.131 -8.444 -0.702 1.00 0.00 O ATOM 466 CB VAL A 57 3.519 -10.053 -0.306 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.015 -9.026 -1.325 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.591 -11.273 -0.314 1.00 0.00 C ATOM 0 H VAL A 57 5.712 -9.956 1.304 1.00 0.00 H new ATOM 0 HA VAL A 57 4.920 -11.402 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 57 3.513 -9.552 0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.989 -8.748 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.648 -8.139 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.049 -9.459 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.564 -10.950 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.658 -11.774 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.891 -11.963 0.475 1.00 0.00 H new ATOM 469 N LEU A 58 6.222 -9.764 -2.511 1.00 0.00 N ATOM 470 CA LEU A 58 7.129 -8.931 -3.302 1.00 0.00 C ATOM 471 C LEU A 58 6.611 -7.496 -3.495 1.00 0.00 C ATOM 472 O LEU A 58 7.390 -6.594 -3.779 1.00 0.00 O ATOM 473 CB LEU A 58 7.375 -9.665 -4.630 1.00 0.00 C ATOM 474 CG LEU A 58 8.491 -9.199 -5.579 1.00 0.00 C ATOM 475 CD1 LEU A 58 8.057 -8.121 -6.580 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.732 -8.777 -4.805 1.00 0.00 C ATOM 0 H LEU A 58 5.909 -10.597 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 58 8.071 -8.797 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.571 -10.710 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.441 -9.637 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 58 8.740 -10.069 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.903 -7.849 -7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.249 -8.506 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.710 -7.241 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.504 -8.453 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.481 -7.955 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.102 -9.621 -4.222 1.00 0.00 H new ATOM 477 N TRP A 59 5.298 -7.290 -3.360 1.00 0.00 N ATOM 478 CA TRP A 59 4.619 -6.051 -3.708 1.00 0.00 C ATOM 479 C TRP A 59 4.789 -5.745 -5.194 1.00 0.00 C ATOM 480 O TRP A 59 5.136 -4.634 -5.593 1.00 0.00 O ATOM 481 CB TRP A 59 4.966 -4.887 -2.761 1.00 0.00 C ATOM 482 CG TRP A 59 4.438 -4.996 -1.357 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.145 -4.749 -0.229 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.106 -5.402 -0.906 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.345 -4.959 0.879 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.112 -5.450 0.519 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.895 -5.755 -1.544 1.00 0.00 C ATOM 488 CZ2 TRP A 59 2.015 -5.901 1.264 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.799 -6.236 -0.809 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.869 -6.339 0.590 1.00 0.00 C ATOM 0 H TRP A 59 4.666 -8.003 -2.995 1.00 0.00 H new ATOM 0 HA TRP A 59 3.550 -6.190 -3.549 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.051 -4.795 -2.713 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.587 -3.964 -3.199 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.178 -4.435 -0.199 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.632 -4.774 1.840 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.811 -5.653 -2.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.053 -5.911 2.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.104 -6.529 -1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.041 -6.755 1.144 1.00 0.00 H new ATOM 491 N ASP A 60 4.459 -6.747 -6.014 1.00 0.00 N ATOM 492 CA ASP A 60 4.126 -6.531 -7.408 1.00 0.00 C ATOM 493 C ASP A 60 2.692 -5.991 -7.489 1.00 0.00 C ATOM 494 O ASP A 60 1.949 -5.994 -6.506 1.00 0.00 O ATOM 495 CB ASP A 60 4.304 -7.831 -8.209 1.00 0.00 C ATOM 496 CG ASP A 60 2.972 -8.509 -8.485 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.383 -9.023 -7.512 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.508 -8.391 -9.639 1.00 0.00 O ATOM 0 H ASP A 60 4.418 -7.724 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 60 4.799 -5.797 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.803 -7.611 -9.153 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.952 -8.512 -7.657 1.00 0.00 H new ATOM 499 N GLU A 61 2.306 -5.551 -8.684 1.00 0.00 N ATOM 500 CA GLU A 61 0.993 -5.032 -8.995 1.00 0.00 C ATOM 501 C GLU A 61 -0.109 -6.065 -8.743 1.00 0.00 C ATOM 502 O GLU A 61 -1.130 -5.739 -8.147 1.00 0.00 O ATOM 503 CB GLU A 61 1.049 -4.565 -10.452 1.00 0.00 C ATOM 504 CG GLU A 61 0.058 -3.441 -10.707 1.00 0.00 C ATOM 505 CD GLU A 61 -1.362 -3.937 -10.954 1.00 0.00 C ATOM 506 OE1 GLU A 61 -1.499 -4.799 -11.848 1.00 0.00 O ATOM 507 OE2 GLU A 61 -2.280 -3.439 -10.267 1.00 0.00 O ATOM 0 H GLU A 61 2.931 -5.550 -9.490 1.00 0.00 H new ATOM 0 HA GLU A 61 0.736 -4.199 -8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.057 -4.225 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.831 -5.403 -11.114 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.056 -2.766 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.389 -2.862 -11.569 1.00 0.00 H new ATOM 508 N ASN A 62 0.084 -7.314 -9.169 1.00 0.00 N ATOM 509 CA ASN A 62 -0.916 -8.361 -9.011 1.00 0.00 C ATOM 510 C ASN A 62 -1.238 -8.584 -7.530 1.00 0.00 C ATOM 511 O ASN A 62 -2.400 -8.592 -7.123 1.00 0.00 O ATOM 512 CB ASN A 62 -0.424 -9.648 -9.675 1.00 0.00 C ATOM 513 CG ASN A 62 -1.555 -10.659 -9.806 1.00 0.00 C ATOM 514 OD1 ASN A 62 -1.754 -11.508 -8.946 1.00 0.00 O ATOM 515 ND2 ASN A 62 -2.310 -10.583 -10.900 1.00 0.00 N ATOM 0 H ASN A 62 0.938 -7.624 -9.632 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.839 -8.051 -9.501 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.018 -9.421 -10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.387 -10.078 -9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.076 -11.242 -11.038 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.122 -9.866 -11.600 1.00 0.00 H new ATOM 516 N ASN A 63 -0.199 -8.727 -6.709 1.00 0.00 N ATOM 517 CA ASN A 63 -0.354 -8.906 -5.273 1.00 0.00 C ATOM 518 C ASN A 63 -0.957 -7.650 -4.643 1.00 0.00 C ATOM 519 O ASN A 63 -1.905 -7.741 -3.860 1.00 0.00 O ATOM 520 CB ASN A 63 0.998 -9.255 -4.644 1.00 0.00 C ATOM 521 CG ASN A 63 1.504 -10.641 -5.051 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.798 -11.436 -5.661 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.730 -10.979 -4.658 1.00 0.00 N ATOM 0 H ASN A 63 0.771 -8.722 -7.023 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.040 -9.732 -5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.733 -8.505 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.911 -9.210 -3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.093 -11.910 -4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.306 -10.307 -4.151 1.00 0.00 H new ATOM 524 N MET A 64 -0.415 -6.474 -4.986 1.00 0.00 N ATOM 525 CA MET A 64 -0.912 -5.199 -4.484 1.00 0.00 C ATOM 526 C MET A 64 -2.404 -5.048 -4.783 1.00 0.00 C ATOM 527 O MET A 64 -3.161 -4.607 -3.926 1.00 0.00 O ATOM 528 CB MET A 64 -0.114 -4.035 -5.093 1.00 0.00 C ATOM 529 CG MET A 64 -0.390 -2.713 -4.365 1.00 0.00 C ATOM 530 SD MET A 64 0.259 -2.582 -2.678 1.00 0.00 S ATOM 531 CE MET A 64 2.045 -2.531 -2.977 1.00 0.00 C ATOM 0 H MET A 64 0.380 -6.386 -5.619 1.00 0.00 H new ATOM 0 HA MET A 64 -0.778 -5.177 -3.402 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.951 -4.261 -5.046 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.371 -3.930 -6.147 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.030 -1.900 -4.958 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.468 -2.559 -4.331 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.568 -2.380 -2.033 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.366 -3.472 -3.423 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.277 -1.710 -3.656 1.00 0.00 H new ATOM 532 N SER A 65 -2.817 -5.398 -6.000 1.00 0.00 N ATOM 533 CA SER A 65 -4.193 -5.359 -6.467 1.00 0.00 C ATOM 534 C SER A 65 -5.106 -6.115 -5.495 1.00 0.00 C ATOM 535 O SER A 65 -6.037 -5.518 -4.944 1.00 0.00 O ATOM 536 CB SER A 65 -4.236 -5.893 -7.910 1.00 0.00 C ATOM 537 OG SER A 65 -5.542 -6.230 -8.324 1.00 0.00 O ATOM 0 H SER A 65 -2.170 -5.730 -6.715 1.00 0.00 H new ATOM 0 HA SER A 65 -4.574 -4.338 -6.488 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.828 -5.140 -8.585 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.596 -6.772 -7.988 1.00 0.00 H new ATOM 0 HG SER A 65 -5.518 -6.562 -9.246 1.00 0.00 H new ATOM 538 N GLU A 66 -4.827 -7.405 -5.256 1.00 0.00 N ATOM 539 CA GLU A 66 -5.612 -8.209 -4.323 1.00 0.00 C ATOM 540 C GLU A 66 -5.603 -7.524 -2.955 1.00 0.00 C ATOM 541 O GLU A 66 -6.659 -7.163 -2.437 1.00 0.00 O ATOM 542 CB GLU A 66 -5.082 -9.655 -4.277 1.00 0.00 C ATOM 543 CG GLU A 66 -6.165 -10.724 -4.025 1.00 0.00 C ATOM 544 CD GLU A 66 -6.621 -10.897 -2.580 1.00 0.00 C ATOM 545 OE1 GLU A 66 -6.293 -10.043 -1.738 1.00 0.00 O ATOM 546 OE2 GLU A 66 -7.293 -11.922 -2.319 1.00 0.00 O ATOM 0 H GLU A 66 -4.060 -7.910 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.648 -8.279 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.583 -9.876 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.328 -9.728 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.037 -10.478 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.789 -11.683 -4.382 1.00 0.00 H new ATOM 547 N TYR A 67 -4.404 -7.269 -2.419 1.00 0.00 N ATOM 548 CA TYR A 67 -4.232 -6.640 -1.115 1.00 0.00 C ATOM 549 C TYR A 67 -5.112 -5.396 -0.951 1.00 0.00 C ATOM 550 O TYR A 67 -5.928 -5.342 -0.041 1.00 0.00 O ATOM 551 CB TYR A 67 -2.755 -6.317 -0.868 1.00 0.00 C ATOM 552 CG TYR A 67 -2.490 -5.702 0.495 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.512 -6.514 1.639 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.322 -4.312 0.637 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.413 -5.949 2.919 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.283 -3.740 1.921 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.346 -4.558 3.063 1.00 0.00 C ATOM 558 OH TYR A 67 -2.606 -4.024 4.288 1.00 0.00 O ATOM 0 H TYR A 67 -3.525 -7.496 -2.884 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.560 -7.354 -0.359 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.170 -7.232 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.407 -5.632 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.606 -7.585 1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.223 -3.686 -0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.389 -6.585 3.791 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.204 -2.668 2.030 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.523 -3.049 4.244 1.00 0.00 H new ATOM 559 N LEU A 68 -4.975 -4.398 -1.823 1.00 0.00 N ATOM 560 CA LEU A 68 -5.791 -3.188 -1.776 1.00 0.00 C ATOM 561 C LEU A 68 -7.278 -3.523 -1.834 1.00 0.00 C ATOM 562 O LEU A 68 -8.076 -2.914 -1.119 1.00 0.00 O ATOM 563 CB LEU A 68 -5.401 -2.223 -2.902 1.00 0.00 C ATOM 564 CG LEU A 68 -4.637 -0.987 -2.408 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.424 -1.332 -1.539 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.143 -0.199 -3.624 1.00 0.00 C ATOM 0 H LEU A 68 -4.294 -4.407 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.600 -2.692 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.787 -2.754 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.303 -1.900 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.328 -0.409 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.929 -0.413 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.752 -1.888 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.726 -1.941 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.598 0.683 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.483 -0.828 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.996 0.110 -4.229 1.00 0.00 H new ATOM 567 N THR A 69 -7.663 -4.468 -2.689 1.00 0.00 N ATOM 568 CA THR A 69 -9.041 -4.913 -2.763 1.00 0.00 C ATOM 569 C THR A 69 -9.490 -5.642 -1.477 1.00 0.00 C ATOM 570 O THR A 69 -10.671 -5.548 -1.139 1.00 0.00 O ATOM 571 CB THR A 69 -9.263 -5.667 -4.089 1.00 0.00 C ATOM 572 OG1 THR A 69 -9.088 -4.756 -5.171 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.674 -6.253 -4.198 1.00 0.00 C ATOM 0 H THR A 69 -7.033 -4.938 -3.340 1.00 0.00 H new ATOM 0 HA THR A 69 -9.716 -4.057 -2.793 1.00 0.00 H new ATOM 0 HB THR A 69 -8.544 -6.486 -4.122 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.668 -3.977 -5.040 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.779 -6.774 -5.150 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.841 -6.954 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.407 -5.449 -4.142 1.00 0.00 H new ATOM 574 N ASN A 70 -8.606 -6.316 -0.723 1.00 0.00 N ATOM 575 CA ASN A 70 -8.967 -6.947 0.555 1.00 0.00 C ATOM 576 C ASN A 70 -7.768 -7.230 1.493 1.00 0.00 C ATOM 577 O ASN A 70 -7.304 -8.370 1.597 1.00 0.00 O ATOM 578 CB ASN A 70 -9.803 -8.201 0.309 1.00 0.00 C ATOM 579 CG ASN A 70 -10.580 -8.612 1.557 1.00 0.00 C ATOM 580 OD1 ASN A 70 -10.212 -8.283 2.681 1.00 0.00 O ATOM 581 ND2 ASN A 70 -11.696 -9.313 1.369 1.00 0.00 N ATOM 0 H ASN A 70 -7.627 -6.438 -0.981 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.568 -6.216 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.499 -8.020 -0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.152 -9.018 -0.000 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.266 -9.588 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.981 -9.575 0.425 1.00 0.00 H new ATOM 582 N PRO A 71 -7.283 -6.219 2.235 1.00 0.00 N ATOM 583 CA PRO A 71 -5.980 -6.287 2.885 1.00 0.00 C ATOM 584 C PRO A 71 -5.944 -7.331 3.995 1.00 0.00 C ATOM 585 O PRO A 71 -5.074 -8.200 4.021 1.00 0.00 O ATOM 586 CB PRO A 71 -5.677 -4.872 3.392 1.00 0.00 C ATOM 587 CG PRO A 71 -7.003 -4.114 3.332 1.00 0.00 C ATOM 588 CD PRO A 71 -7.862 -4.888 2.330 1.00 0.00 C ATOM 0 HA PRO A 71 -5.211 -6.612 2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.287 -4.897 4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.922 -4.388 2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.479 -4.075 4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.853 -3.084 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.898 -4.938 2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.864 -4.395 1.358 1.00 0.00 H new ATOM 601 N LYS A 73 -7.595 -9.918 4.445 1.00 0.00 N ATOM 602 CA LYS A 73 -7.766 -11.288 3.991 1.00 0.00 C ATOM 603 C LYS A 73 -6.412 -11.774 3.499 1.00 0.00 C ATOM 604 O LYS A 73 -5.971 -12.873 3.824 1.00 0.00 O ATOM 605 CB LYS A 73 -8.805 -11.333 2.865 1.00 0.00 C ATOM 606 CG LYS A 73 -9.208 -12.775 2.522 1.00 0.00 C ATOM 607 CD LYS A 73 -10.182 -12.836 1.332 1.00 0.00 C ATOM 608 CE LYS A 73 -9.562 -12.423 -0.017 1.00 0.00 C ATOM 609 NZ LYS A 73 -8.463 -13.311 -0.448 1.00 0.00 N ATOM 0 HA LYS A 73 -8.123 -11.929 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.689 -10.769 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.401 -10.847 1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.315 -13.355 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.671 -13.239 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.568 -13.852 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.033 -12.188 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.339 -12.420 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.187 -11.402 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.088 -12.982 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.705 -13.296 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.821 -14.282 -0.551 1.00 0.00 H new ATOM 610 N TYR A 74 -5.776 -10.937 2.680 1.00 0.00 N ATOM 611 CA TYR A 74 -4.496 -11.253 2.078 1.00 0.00 C ATOM 612 C TYR A 74 -3.408 -11.368 3.153 1.00 0.00 C ATOM 613 O TYR A 74 -2.574 -12.273 3.096 1.00 0.00 O ATOM 614 CB TYR A 74 -4.179 -10.184 1.036 1.00 0.00 C ATOM 615 CG TYR A 74 -3.139 -10.595 0.017 1.00 0.00 C ATOM 616 CD1 TYR A 74 -3.491 -11.500 -1.001 1.00 0.00 C ATOM 617 CD2 TYR A 74 -1.838 -10.063 0.059 1.00 0.00 C ATOM 618 CE1 TYR A 74 -2.543 -11.882 -1.964 1.00 0.00 C ATOM 619 CE2 TYR A 74 -0.910 -10.405 -0.936 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.251 -11.338 -1.928 1.00 0.00 C ATOM 621 OH TYR A 74 -0.307 -11.792 -2.797 1.00 0.00 O ATOM 0 H TYR A 74 -6.141 -10.021 2.419 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.535 -12.222 1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.098 -9.920 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.834 -9.286 1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.493 -11.902 -1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.554 -9.392 0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.809 -12.594 -2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.069 -9.949 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.740 -12.088 -3.625 1.00 0.00 H new ATOM 622 N ILE A 75 -3.435 -10.472 4.148 1.00 0.00 N ATOM 623 CA ILE A 75 -2.558 -10.529 5.317 1.00 0.00 C ATOM 624 C ILE A 75 -3.436 -10.722 6.560 1.00 0.00 C ATOM 625 O ILE A 75 -3.897 -9.734 7.132 1.00 0.00 O ATOM 626 CB ILE A 75 -1.640 -9.287 5.411 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.862 -9.123 4.091 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.663 -9.438 6.595 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.261 -8.083 4.143 1.00 0.00 C ATOM 0 H ILE A 75 -4.076 -9.678 4.161 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.875 -11.374 5.232 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.249 -8.399 5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.435 -10.087 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.562 -8.845 3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.022 -8.558 6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.227 -9.536 7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.048 -10.326 6.449 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.755 -8.033 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.158 -7.107 4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.986 -8.368 4.905 1.00 0.00 H new ATOM 630 N PRO A 76 -3.674 -11.971 7.003 1.00 0.00 N ATOM 631 CA PRO A 76 -4.509 -12.264 8.160 1.00 0.00 C ATOM 632 C PRO A 76 -3.752 -11.928 9.449 1.00 0.00 C ATOM 633 O PRO A 76 -3.330 -12.811 10.191 1.00 0.00 O ATOM 634 CB PRO A 76 -4.859 -13.751 8.032 1.00 0.00 C ATOM 635 CG PRO A 76 -3.624 -14.332 7.349 1.00 0.00 C ATOM 636 CD PRO A 76 -3.195 -13.209 6.402 1.00 0.00 C ATOM 0 HA PRO A 76 -5.420 -11.667 8.200 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.037 -14.210 9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.760 -13.905 7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.842 -14.575 8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.856 -15.250 6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.112 -13.191 6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.622 -13.351 5.409 1.00 0.00 H new ATOM 637 N GLY A 77 -3.572 -10.631 9.696 1.00 0.00 N ATOM 638 CA GLY A 77 -2.808 -10.102 10.811 1.00 0.00 C ATOM 639 C GLY A 77 -2.188 -8.784 10.372 1.00 0.00 C ATOM 640 O GLY A 77 -0.982 -8.687 10.163 1.00 0.00 O ATOM 0 H GLY A 77 -3.969 -9.902 9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.452 -9.950 11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.033 -10.807 11.110 1.00 0.00 H new ATOM 641 N THR A 78 -3.028 -7.766 10.206 1.00 0.00 N ATOM 642 CA THR A 78 -2.613 -6.431 9.829 1.00 0.00 C ATOM 643 C THR A 78 -3.500 -5.462 10.599 1.00 0.00 C ATOM 644 O THR A 78 -4.701 -5.699 10.736 1.00 0.00 O ATOM 645 CB THR A 78 -2.699 -6.257 8.302 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.289 -4.958 7.948 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.108 -6.460 7.742 1.00 0.00 C ATOM 0 H THR A 78 -4.036 -7.855 10.334 1.00 0.00 H new ATOM 0 HA THR A 78 -1.571 -6.237 10.084 1.00 0.00 H new ATOM 0 HB THR A 78 -2.050 -7.023 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.190 -4.900 6.975 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.093 -6.322 6.661 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.450 -7.468 7.975 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.786 -5.734 8.191 1.00 0.00 H new ATOM 648 N LYS A 79 -2.913 -4.390 11.133 1.00 0.00 N ATOM 649 CA LYS A 79 -3.672 -3.322 11.765 1.00 0.00 C ATOM 650 C LYS A 79 -4.574 -2.632 10.739 1.00 0.00 C ATOM 651 O LYS A 79 -5.629 -2.087 11.079 1.00 0.00 O ATOM 652 CB LYS A 79 -2.687 -2.339 12.414 1.00 0.00 C ATOM 653 CG LYS A 79 -3.423 -1.172 13.076 1.00 0.00 C ATOM 654 CD LYS A 79 -3.690 0.086 12.229 1.00 0.00 C ATOM 655 CE LYS A 79 -4.925 0.828 12.760 1.00 0.00 C ATOM 656 NZ LYS A 79 -6.180 0.223 12.256 1.00 0.00 N ATOM 0 H LYS A 79 -1.904 -4.242 11.137 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.323 -3.727 12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.085 -2.861 13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.000 -1.957 11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.383 -1.543 13.435 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.850 -0.869 13.952 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.821 0.744 12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.845 -0.194 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.922 0.808 13.850 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.879 1.875 12.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.821 0.037 13.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.638 0.877 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.964 -0.671 11.770 1.00 0.00 H new ATOM 657 N ALA A 80 -4.081 -2.587 9.504 1.00 0.00 N ATOM 658 CA ALA A 80 -4.685 -1.992 8.326 1.00 0.00 C ATOM 659 C ALA A 80 -6.184 -2.291 8.222 1.00 0.00 C ATOM 660 O ALA A 80 -6.603 -3.447 8.267 1.00 0.00 O ATOM 661 CB ALA A 80 -3.947 -2.512 7.094 1.00 0.00 C ATOM 0 H ALA A 80 -3.174 -3.001 9.289 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.594 -0.908 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.386 -2.077 6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.895 -2.233 7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.033 -3.598 7.050 1.00 0.00 H new ATOM 662 N ALA A 81 -6.998 -1.238 8.091 1.00 0.00 N ATOM 663 CA ALA A 81 -8.448 -1.344 8.110 1.00 0.00 C ATOM 664 C ALA A 81 -9.062 -0.034 7.619 1.00 0.00 C ATOM 665 O ALA A 81 -9.244 0.878 8.421 1.00 0.00 O ATOM 666 CB ALA A 81 -8.915 -1.655 9.538 1.00 0.00 C ATOM 0 H ALA A 81 -6.659 -0.284 7.968 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.770 -2.149 7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.002 -1.735 9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.476 -2.597 9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.599 -0.854 10.207 1.00 0.00 H new ATOM 667 N PHE A 82 -9.357 0.071 6.317 1.00 0.00 N ATOM 668 CA PHE A 82 -9.949 1.278 5.737 1.00 0.00 C ATOM 669 C PHE A 82 -11.155 1.012 4.822 1.00 0.00 C ATOM 670 O PHE A 82 -11.871 1.953 4.489 1.00 0.00 O ATOM 671 CB PHE A 82 -8.866 2.089 5.017 1.00 0.00 C ATOM 672 CG PHE A 82 -8.509 1.594 3.628 1.00 0.00 C ATOM 673 CD1 PHE A 82 -9.252 2.052 2.524 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.468 0.666 3.431 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.007 1.533 1.245 1.00 0.00 C ATOM 676 CE2 PHE A 82 -7.210 0.164 2.142 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.007 0.569 1.056 1.00 0.00 C ATOM 0 H PHE A 82 -9.192 -0.675 5.641 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.353 1.858 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.198 3.124 4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.964 2.087 5.630 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.013 2.806 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.869 0.340 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.590 1.877 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.400 -0.533 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.849 0.138 0.078 1.00 0.00 H new ATOM 678 N GLY A 83 -11.379 -0.240 4.402 1.00 0.00 N ATOM 679 CA GLY A 83 -12.447 -0.596 3.472 1.00 0.00 C ATOM 680 C GLY A 83 -11.865 -0.841 2.079 1.00 0.00 C ATOM 681 O GLY A 83 -11.648 0.100 1.318 1.00 0.00 O ATOM 0 H GLY A 83 -10.818 -1.037 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.963 -1.490 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.187 0.204 3.431 1.00 0.00 H new ATOM 682 N GLY A 84 -11.599 -2.116 1.774 1.00 0.00 N ATOM 683 CA GLY A 84 -10.894 -2.560 0.579 1.00 0.00 C ATOM 684 C GLY A 84 -11.424 -1.951 -0.724 1.00 0.00 C ATOM 685 O GLY A 84 -12.630 -1.775 -0.908 1.00 0.00 O ATOM 0 H GLY A 84 -11.881 -2.889 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.838 -2.311 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.961 -3.646 0.513 1.00 0.00 H new ATOM 686 N LEU A 85 -10.506 -1.628 -1.637 1.00 0.00 N ATOM 687 CA LEU A 85 -10.800 -0.952 -2.891 1.00 0.00 C ATOM 688 C LEU A 85 -11.540 -1.864 -3.876 1.00 0.00 C ATOM 689 O LEU A 85 -10.927 -2.642 -4.612 1.00 0.00 O ATOM 690 CB LEU A 85 -9.510 -0.388 -3.498 1.00 0.00 C ATOM 691 CG LEU A 85 -8.956 0.854 -2.793 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.809 1.442 -3.617 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.985 1.954 -2.528 1.00 0.00 C ATOM 0 H LEU A 85 -9.515 -1.837 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.473 -0.121 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.748 -1.167 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.695 -0.143 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.619 0.508 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.416 2.326 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.017 0.700 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.176 1.720 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.501 2.792 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.408 2.293 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.781 1.563 -1.895 1.00 0.00 H new ATOM 694 N LYS A 86 -12.867 -1.713 -3.900 1.00 0.00 N ATOM 695 CA LYS A 86 -13.773 -2.342 -4.850 1.00 0.00 C ATOM 696 C LYS A 86 -13.628 -1.775 -6.266 1.00 0.00 C ATOM 697 O LYS A 86 -13.539 -2.543 -7.222 1.00 0.00 O ATOM 698 CB LYS A 86 -15.217 -2.170 -4.351 1.00 0.00 C ATOM 699 CG LYS A 86 -15.572 -3.212 -3.283 1.00 0.00 C ATOM 700 CD LYS A 86 -16.005 -4.522 -3.962 1.00 0.00 C ATOM 701 CE LYS A 86 -16.137 -5.659 -2.941 1.00 0.00 C ATOM 702 NZ LYS A 86 -16.584 -6.917 -3.577 1.00 0.00 N ATOM 0 H LYS A 86 -13.355 -1.122 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.516 -3.399 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.344 -1.169 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.906 -2.259 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.713 -3.392 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.375 -2.837 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.958 -4.374 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.277 -4.797 -4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.177 -5.821 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.847 -5.371 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.662 -7.662 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.512 -6.770 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.894 -7.205 -4.299 1.00 0.00 H new ATOM 703 N LYS A 87 -13.671 -0.447 -6.432 1.00 0.00 N ATOM 704 CA LYS A 87 -13.635 0.152 -7.756 1.00 0.00 C ATOM 705 C LYS A 87 -12.268 -0.069 -8.398 1.00 0.00 C ATOM 706 O LYS A 87 -11.308 0.660 -8.137 1.00 0.00 O ATOM 707 CB LYS A 87 -13.961 1.643 -7.706 1.00 0.00 C ATOM 708 CG LYS A 87 -15.445 1.943 -7.458 1.00 0.00 C ATOM 709 CD LYS A 87 -16.308 1.867 -8.732 1.00 0.00 C ATOM 710 CE LYS A 87 -16.476 3.219 -9.451 1.00 0.00 C ATOM 711 NZ LYS A 87 -15.250 3.706 -10.119 1.00 0.00 N ATOM 0 H LYS A 87 -13.730 0.223 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.398 -0.335 -8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.369 2.109 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.659 2.103 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.833 1.237 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.539 2.938 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.859 1.153 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.293 1.481 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.269 3.127 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.803 3.965 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.461 4.584 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.516 3.892 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.909 2.985 -10.787 1.00 0.00 H new ATOM 712 N GLU A 88 -12.199 -1.076 -9.265 1.00 0.00 N ATOM 713 CA GLU A 88 -10.951 -1.483 -9.868 1.00 0.00 C ATOM 714 C GLU A 88 -10.320 -0.376 -10.716 1.00 0.00 C ATOM 715 O GLU A 88 -9.099 -0.290 -10.802 1.00 0.00 O ATOM 716 CB GLU A 88 -11.148 -2.783 -10.663 1.00 0.00 C ATOM 717 CG GLU A 88 -9.825 -3.535 -10.577 1.00 0.00 C ATOM 718 CD GLU A 88 -9.805 -4.901 -11.232 1.00 0.00 C ATOM 719 OE1 GLU A 88 -10.653 -5.140 -12.115 1.00 0.00 O ATOM 720 OE2 GLU A 88 -8.893 -5.658 -10.822 1.00 0.00 O ATOM 0 H GLU A 88 -13.006 -1.624 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.240 -1.678 -9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.961 -3.376 -10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.409 -2.570 -11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.048 -2.921 -11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.562 -3.652 -9.526 1.00 0.00 H new ATOM 721 N LYS A 89 -11.130 0.482 -11.343 1.00 0.00 N ATOM 722 CA LYS A 89 -10.591 1.522 -12.213 1.00 0.00 C ATOM 723 C LYS A 89 -9.765 2.502 -11.376 1.00 0.00 C ATOM 724 O LYS A 89 -8.577 2.712 -11.622 1.00 0.00 O ATOM 725 CB LYS A 89 -11.710 2.192 -13.015 1.00 0.00 C ATOM 726 CG LYS A 89 -11.376 2.349 -14.507 1.00 0.00 C ATOM 727 CD LYS A 89 -11.511 1.005 -15.247 1.00 0.00 C ATOM 728 CE LYS A 89 -11.074 1.078 -16.718 1.00 0.00 C ATOM 729 NZ LYS A 89 -11.950 1.943 -17.536 1.00 0.00 N ATOM 0 H LYS A 89 -12.147 0.475 -11.264 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.921 1.086 -12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.623 1.605 -12.914 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.915 3.175 -12.590 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.043 3.085 -14.957 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.360 2.729 -14.618 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.912 0.253 -14.734 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.548 0.674 -15.199 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.052 1.452 -16.770 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.067 0.073 -17.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.608 1.954 -18.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.922 1.574 -17.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.938 2.910 -17.154 1.00 0.00 H new ATOM 730 N ASP A 90 -10.414 3.055 -10.354 1.00 0.00 N ATOM 731 CA ASP A 90 -9.851 3.928 -9.345 1.00 0.00 C ATOM 732 C ASP A 90 -8.590 3.306 -8.764 1.00 0.00 C ATOM 733 O ASP A 90 -7.526 3.922 -8.764 1.00 0.00 O ATOM 734 CB ASP A 90 -10.898 4.130 -8.243 1.00 0.00 C ATOM 735 CG ASP A 90 -12.226 4.670 -8.758 1.00 0.00 C ATOM 736 OD1 ASP A 90 -12.788 4.012 -9.666 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.717 5.677 -8.216 1.00 0.00 O ATOM 0 H ASP A 90 -11.410 2.890 -10.205 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.586 4.889 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.072 3.179 -7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.500 4.818 -7.497 1.00 0.00 H new ATOM 738 N ARG A 91 -8.725 2.069 -8.279 1.00 0.00 N ATOM 739 CA ARG A 91 -7.591 1.279 -7.811 1.00 0.00 C ATOM 740 C ARG A 91 -6.467 1.292 -8.836 1.00 0.00 C ATOM 741 O ARG A 91 -5.342 1.593 -8.479 1.00 0.00 O ATOM 742 CB ARG A 91 -8.000 -0.153 -7.478 1.00 0.00 C ATOM 743 CG ARG A 91 -7.006 -0.822 -6.524 1.00 0.00 C ATOM 744 CD ARG A 91 -7.156 -2.344 -6.551 1.00 0.00 C ATOM 745 NE ARG A 91 -6.767 -2.862 -7.867 1.00 0.00 N ATOM 746 CZ ARG A 91 -7.266 -3.952 -8.459 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.035 -4.816 -7.779 1.00 0.00 N ATOM 748 NH2 ARG A 91 -7.017 -4.133 -9.759 1.00 0.00 N ATOM 0 H ARG A 91 -9.623 1.591 -8.201 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.228 1.739 -6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.992 -0.152 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.069 -0.734 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.989 -0.549 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.167 -0.455 -5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.535 -2.793 -5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.188 -2.620 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.051 -2.344 -8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.247 -4.646 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.408 -5.643 -8.245 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.460 -3.449 -10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.384 -4.955 -10.239 1.00 0.00 H new ATOM 749 N ASN A 92 -6.727 0.970 -10.098 1.00 0.00 N ATOM 750 CA ASN A 92 -5.652 0.895 -11.080 1.00 0.00 C ATOM 751 C ASN A 92 -5.009 2.270 -11.304 1.00 0.00 C ATOM 752 O ASN A 92 -3.786 2.345 -11.423 1.00 0.00 O ATOM 753 CB ASN A 92 -6.104 0.233 -12.387 1.00 0.00 C ATOM 754 CG ASN A 92 -6.596 -1.210 -12.194 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.340 -1.865 -11.179 1.00 0.00 O ATOM 756 ND2 ASN A 92 -7.322 -1.728 -13.180 1.00 0.00 N ATOM 0 H ASN A 92 -7.657 0.760 -10.461 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.879 0.245 -10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.903 0.827 -12.830 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.275 0.236 -13.094 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.677 -2.681 -13.105 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.524 -1.172 -14.011 1.00 0.00 H new ATOM 757 N ASP A 93 -5.781 3.366 -11.331 1.00 0.00 N ATOM 758 CA ASP A 93 -5.198 4.713 -11.405 1.00 0.00 C ATOM 759 C ASP A 93 -4.298 4.965 -10.185 1.00 0.00 C ATOM 760 O ASP A 93 -3.155 5.404 -10.306 1.00 0.00 O ATOM 761 CB ASP A 93 -6.287 5.797 -11.512 1.00 0.00 C ATOM 762 CG ASP A 93 -6.550 6.363 -12.910 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.758 6.107 -13.846 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.540 7.118 -13.026 1.00 0.00 O ATOM 0 H ASP A 93 -6.800 3.347 -11.303 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.593 4.770 -12.310 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.220 5.383 -11.130 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.013 6.623 -10.855 1.00 0.00 H new ATOM 765 N LEU A 94 -4.811 4.679 -8.991 1.00 0.00 N ATOM 766 CA LEU A 94 -4.068 4.780 -7.741 1.00 0.00 C ATOM 767 C LEU A 94 -2.769 3.969 -7.818 1.00 0.00 C ATOM 768 O LEU A 94 -1.681 4.526 -7.680 1.00 0.00 O ATOM 769 CB LEU A 94 -5.016 4.379 -6.603 1.00 0.00 C ATOM 770 CG LEU A 94 -4.402 4.091 -5.230 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.341 5.087 -4.764 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.520 4.151 -4.200 1.00 0.00 C ATOM 0 H LEU A 94 -5.773 4.365 -8.865 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.736 5.799 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.749 5.176 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.561 3.490 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.915 3.121 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.971 4.792 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.515 5.097 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.779 6.083 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.113 3.949 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.973 5.143 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.277 3.404 -4.440 1.00 0.00 H new ATOM 773 N ILE A 95 -2.859 2.665 -8.075 1.00 0.00 N ATOM 774 CA ILE A 95 -1.720 1.784 -8.241 1.00 0.00 C ATOM 775 C ILE A 95 -0.766 2.309 -9.321 1.00 0.00 C ATOM 776 O ILE A 95 0.442 2.228 -9.127 1.00 0.00 O ATOM 777 CB ILE A 95 -2.203 0.345 -8.476 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.019 -0.176 -7.267 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.967 -0.537 -8.694 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.676 -1.520 -7.565 1.00 0.00 C ATOM 0 H ILE A 95 -3.754 2.186 -8.175 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.130 1.768 -7.325 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.857 0.317 -9.348 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.364 -0.276 -6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.785 0.553 -7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.280 -1.567 -8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.413 -0.179 -9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.328 -0.493 -7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.239 -1.851 -6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.352 -1.415 -8.414 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.908 -2.256 -7.802 1.00 0.00 H new ATOM 781 N THR A 96 -1.258 2.891 -10.422 1.00 0.00 N ATOM 782 CA THR A 96 -0.386 3.575 -11.374 1.00 0.00 C ATOM 783 C THR A 96 0.438 4.645 -10.663 1.00 0.00 C ATOM 784 O THR A 96 1.671 4.631 -10.721 1.00 0.00 O ATOM 785 CB THR A 96 -1.184 4.235 -12.516 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.953 3.308 -13.244 1.00 0.00 O ATOM 787 CG2 THR A 96 -0.229 4.938 -13.474 1.00 0.00 C ATOM 0 H THR A 96 -2.247 2.900 -10.671 1.00 0.00 H new ATOM 0 HA THR A 96 0.271 2.819 -11.805 1.00 0.00 H new ATOM 0 HB THR A 96 -1.866 4.949 -12.054 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.602 2.881 -12.647 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.798 5.403 -14.279 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.329 5.704 -12.935 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.466 4.211 -13.894 1.00 0.00 H new ATOM 788 N TYR A 97 -0.252 5.606 -10.040 1.00 0.00 N ATOM 789 CA TYR A 97 0.414 6.714 -9.378 1.00 0.00 C ATOM 790 C TYR A 97 1.450 6.178 -8.399 1.00 0.00 C ATOM 791 O TYR A 97 2.595 6.614 -8.423 1.00 0.00 O ATOM 792 CB TYR A 97 -0.603 7.621 -8.681 1.00 0.00 C ATOM 793 CG TYR A 97 0.036 8.621 -7.740 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.802 9.677 -8.266 1.00 0.00 C ATOM 795 CD2 TYR A 97 0.001 8.405 -6.349 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.515 10.528 -7.402 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.695 9.270 -5.486 1.00 0.00 C ATOM 798 CZ TYR A 97 1.462 10.323 -6.013 1.00 0.00 C ATOM 799 OH TYR A 97 2.128 11.161 -5.172 1.00 0.00 O ATOM 0 H TYR A 97 -1.270 5.632 -9.985 1.00 0.00 H new ATOM 0 HA TYR A 97 0.928 7.320 -10.124 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.178 8.158 -9.435 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.307 7.004 -8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.843 9.835 -9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.559 7.575 -5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.103 11.339 -7.806 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.639 9.125 -4.417 1.00 0.00 H new ATOM 0 HH TYR A 97 1.984 10.877 -4.245 1.00 0.00 H new ATOM 800 N LEU A 98 1.056 5.219 -7.561 1.00 0.00 N ATOM 801 CA LEU A 98 1.943 4.634 -6.574 1.00 0.00 C ATOM 802 C LEU A 98 3.140 3.961 -7.235 1.00 0.00 C ATOM 803 O LEU A 98 4.271 4.203 -6.833 1.00 0.00 O ATOM 804 CB LEU A 98 1.178 3.638 -5.694 1.00 0.00 C ATOM 805 CG LEU A 98 1.233 4.004 -4.200 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.173 4.228 -3.665 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.885 2.898 -3.380 1.00 0.00 C ATOM 0 H LEU A 98 0.113 4.831 -7.553 1.00 0.00 H new ATOM 0 HA LEU A 98 2.323 5.437 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.138 3.599 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.594 2.640 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 98 1.826 4.914 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.123 4.486 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.646 5.041 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.759 3.317 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.908 3.189 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.311 1.978 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.903 2.735 -3.733 1.00 0.00 H new ATOM 808 N LYS A 99 2.911 3.116 -8.242 1.00 0.00 N ATOM 809 CA LYS A 99 3.976 2.457 -8.973 1.00 0.00 C ATOM 810 C LYS A 99 4.999 3.478 -9.461 1.00 0.00 C ATOM 811 O LYS A 99 6.199 3.245 -9.340 1.00 0.00 O ATOM 812 CB LYS A 99 3.414 1.593 -10.115 1.00 0.00 C ATOM 813 CG LYS A 99 4.591 0.962 -10.873 1.00 0.00 C ATOM 814 CD LYS A 99 4.185 -0.196 -11.794 1.00 0.00 C ATOM 815 CE LYS A 99 5.434 -0.794 -12.470 1.00 0.00 C ATOM 816 NZ LYS A 99 5.113 -1.890 -13.410 1.00 0.00 N ATOM 0 H LYS A 99 1.976 2.874 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 99 4.495 1.777 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.760 0.817 -9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.812 2.202 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.082 1.732 -11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.324 0.600 -10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.669 -0.965 -11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.486 0.159 -12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.963 -0.006 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.112 -1.168 -11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.991 -2.252 -13.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.633 -2.657 -12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.489 -1.532 -14.161 1.00 0.00 H new ATOM 817 N LYS A 100 4.536 4.601 -10.011 1.00 0.00 N ATOM 818 CA LYS A 100 5.436 5.627 -10.498 1.00 0.00 C ATOM 819 C LYS A 100 6.149 6.280 -9.309 1.00 0.00 C ATOM 820 O LYS A 100 7.373 6.271 -9.235 1.00 0.00 O ATOM 821 CB LYS A 100 4.640 6.627 -11.354 1.00 0.00 C ATOM 822 CG LYS A 100 5.427 7.075 -12.591 1.00 0.00 C ATOM 823 CD LYS A 100 6.622 7.972 -12.223 1.00 0.00 C ATOM 824 CE LYS A 100 7.535 8.272 -13.419 1.00 0.00 C ATOM 825 NZ LYS A 100 6.827 8.937 -14.532 1.00 0.00 N ATOM 0 H LYS A 100 3.546 4.816 -10.127 1.00 0.00 H new ATOM 0 HA LYS A 100 6.211 5.203 -11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.701 6.170 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.385 7.498 -10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.785 6.198 -13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.763 7.615 -13.266 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.252 8.911 -11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.205 7.488 -11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.359 8.905 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.972 7.340 -13.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.503 9.160 -15.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.089 8.304 -14.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.389 9.816 -14.189 1.00 0.00 H new ATOM 826 N ALA A 101 5.362 6.821 -8.380 1.00 0.00 N ATOM 827 CA ALA A 101 5.803 7.581 -7.213 1.00 0.00 C ATOM 828 C ALA A 101 6.576 6.734 -6.192 1.00 0.00 C ATOM 829 O ALA A 101 7.107 7.257 -5.214 1.00 0.00 O ATOM 830 CB ALA A 101 4.572 8.218 -6.571 1.00 0.00 C ATOM 0 H ALA A 101 4.347 6.736 -8.424 1.00 0.00 H new ATOM 0 HA ALA A 101 6.507 8.344 -7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.874 8.792 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.088 8.879 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.874 7.437 -6.269 1.00 0.00 H new ATOM 831 N SER A 102 6.622 5.418 -6.408 1.00 0.00 N ATOM 832 CA SER A 102 7.583 4.519 -5.795 1.00 0.00 C ATOM 833 C SER A 102 8.984 5.116 -5.976 1.00 0.00 C ATOM 834 O SER A 102 9.766 5.117 -5.027 1.00 0.00 O ATOM 835 CB SER A 102 7.447 3.126 -6.442 1.00 0.00 C ATOM 836 OG SER A 102 7.954 2.079 -5.628 1.00 0.00 O ATOM 0 H SER A 102 5.971 4.942 -7.032 1.00 0.00 H new ATOM 0 HA SER A 102 7.401 4.402 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.396 2.934 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.974 3.123 -7.396 1.00 0.00 H new ATOM 0 HG SER A 102 8.428 1.429 -6.188 1.00 0.00 H new ATOM 837 N GLU A 103 9.263 5.623 -7.183 1.00 0.00 N ATOM 838 CA GLU A 103 10.453 6.381 -7.522 1.00 0.00 C ATOM 839 C GLU A 103 10.235 7.832 -7.068 1.00 0.00 C ATOM 840 O GLU A 103 11.131 8.383 -6.392 1.00 0.00 O ATOM 841 CB GLU A 103 10.654 6.298 -9.045 1.00 0.00 C ATOM 842 CG GLU A 103 12.111 6.468 -9.494 1.00 0.00 C ATOM 843 CD GLU A 103 12.893 5.162 -9.409 1.00 0.00 C ATOM 844 OE1 GLU A 103 12.565 4.261 -10.213 1.00 0.00 O ATOM 845 OE2 GLU A 103 13.807 5.086 -8.561 1.00 0.00 O ATOM 846 OXT GLU A 103 9.160 8.375 -7.415 1.00 0.00 O ATOM 0 H GLU A 103 8.633 5.506 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 103 11.342 5.987 -7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.286 5.334 -9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.046 7.065 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.133 6.837 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.596 7.221 -8.873 1.00 0.00 H new