USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=29 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= -0.225 K(o=-0.23,f=-1) USER MOD Set 1.2: A 74 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 40 SER OG : rot 105:sc= 1.23 USER MOD Set 2.2: A 52 ASN : amide:sc= 0.265 K(o=1.5,f=-6.4!) USER MOD Set 3.1: A 19 THR OG1 : rot -117:sc= 1.62 USER MOD Set 3.2: A 31 ASN : amide:sc= 2.4 K(o=4,f=-2.5!) USER MOD Set 4.1: A 1 GLY N :NH3+ -158:sc= 1.25 (180deg=0) USER MOD Set 4.2: A 96 THR OG1 : rot 78:sc= 2.23 USER MOD Single : A 2 SER OG : rot 170:sc= 0.189 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.13) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.013) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.405 USER MOD Single : A 14 CYS SG : rot 142:sc= -0.2 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.9!) USER MOD Single : A 26 HIS : no HD1:sc= -0.52 K(o=-0.52,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.08) USER MOD Single : A 33 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=-0.037) USER MOD Single : A 39 GLN : amide:sc= 0.0127 K(o=0.013,f=-0.61) USER MOD Single : A 46 TYR OH : rot 27:sc= 1.22 USER MOD Single : A 47 SER OG : rot 50:sc= 0.358 USER MOD Single : A 48 TYR OH : rot -70:sc= -0.399 USER MOD Single : A 49 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0.455 (180deg=0.455) USER MOD Single : A 56 ASN : amide:sc= -0.707 X(o=-0.71,f=-0.45) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 64 MET CE :methyl -176:sc= -0.367 (180deg=-0.403) USER MOD Single : A 65 SER OG : rot -160:sc= -1.37 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 82:sc= 1.19 USER MOD Single : A 70 ASN : amide:sc= 0.888 K(o=0.89,f=-0.051!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.638 USER MOD Single : A 79 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0142) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 0.758 (180deg=0.651) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=-0.00894 X(o=-0.0089,f=-0.24) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= 1.18 (180deg=1) USER MOD Single : A 100 LYS NZ :NH3+ 151:sc= 2.34 (180deg=1.97) USER MOD Single : A 102 SER OG : rot -72:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -3.073 3.145 -15.950 1.00 0.00 N ATOM 43 CA GLY A 1 -3.930 4.316 -16.024 1.00 0.00 C ATOM 44 C GLY A 1 -3.042 5.545 -16.209 1.00 0.00 C ATOM 45 O GLY A 1 -2.078 5.497 -16.973 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.622 2.297 -16.196 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.282 3.251 -16.617 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.701 3.048 -14.984 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.629 4.224 -16.855 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.525 4.410 -15.116 1.00 0.00 H new ATOM 46 N SER A 2 -3.326 6.636 -15.496 1.00 0.00 N ATOM 47 CA SER A 2 -2.469 7.813 -15.487 1.00 0.00 C ATOM 48 C SER A 2 -1.522 7.773 -14.286 1.00 0.00 C ATOM 49 O SER A 2 -1.798 7.138 -13.272 1.00 0.00 O ATOM 50 CB SER A 2 -3.324 9.084 -15.456 1.00 0.00 C ATOM 51 OG SER A 2 -2.500 10.237 -15.569 1.00 0.00 O ATOM 0 H SER A 2 -4.157 6.724 -14.911 1.00 0.00 H new ATOM 0 HA SER A 2 -1.868 7.819 -16.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.047 9.064 -16.272 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.893 9.125 -14.527 1.00 0.00 H new ATOM 0 HG SER A 2 -3.061 11.028 -15.710 1.00 0.00 H new ATOM 52 N ALA A 3 -0.405 8.495 -14.402 1.00 0.00 N ATOM 53 CA ALA A 3 0.420 8.855 -13.259 1.00 0.00 C ATOM 54 C ALA A 3 -0.307 9.897 -12.406 1.00 0.00 C ATOM 55 O ALA A 3 -0.177 9.907 -11.185 1.00 0.00 O ATOM 56 CB ALA A 3 1.758 9.414 -13.744 1.00 0.00 C ATOM 0 H ALA A 3 -0.052 8.844 -15.293 1.00 0.00 H new ATOM 0 HA ALA A 3 0.605 7.968 -12.653 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.373 9.682 -12.885 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.274 8.659 -14.338 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.582 10.299 -14.355 1.00 0.00 H new ATOM 57 N LYS A 4 -1.060 10.796 -13.050 1.00 0.00 N ATOM 58 CA LYS A 4 -1.909 11.741 -12.339 1.00 0.00 C ATOM 59 C LYS A 4 -3.182 10.997 -11.926 1.00 0.00 C ATOM 60 O LYS A 4 -3.339 9.831 -12.278 1.00 0.00 O ATOM 61 CB LYS A 4 -2.217 12.939 -13.251 1.00 0.00 C ATOM 62 CG LYS A 4 -0.934 13.699 -13.629 1.00 0.00 C ATOM 63 CD LYS A 4 -1.168 14.751 -14.722 1.00 0.00 C ATOM 64 CE LYS A 4 -2.124 15.869 -14.277 1.00 0.00 C ATOM 65 NZ LYS A 4 -2.243 16.936 -15.293 1.00 0.00 N ATOM 0 H LYS A 4 -1.094 10.884 -14.066 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.417 12.131 -11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.716 12.591 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.907 13.615 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.531 14.187 -12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.182 12.987 -13.971 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.212 15.189 -15.009 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.574 14.263 -15.608 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.109 15.446 -14.079 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.768 16.299 -13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.897 17.669 -14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.308 17.358 -15.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.608 16.532 -16.179 1.00 0.00 H new ATOM 66 N LYS A 5 -4.086 11.648 -11.181 1.00 0.00 N ATOM 67 CA LYS A 5 -5.432 11.177 -10.842 1.00 0.00 C ATOM 68 C LYS A 5 -5.362 10.124 -9.732 1.00 0.00 C ATOM 69 O LYS A 5 -5.934 10.292 -8.656 1.00 0.00 O ATOM 70 CB LYS A 5 -6.162 10.694 -12.108 1.00 0.00 C ATOM 71 CG LYS A 5 -7.644 10.364 -11.910 1.00 0.00 C ATOM 72 CD LYS A 5 -8.168 9.816 -13.245 1.00 0.00 C ATOM 73 CE LYS A 5 -9.533 9.131 -13.108 1.00 0.00 C ATOM 74 NZ LYS A 5 -9.696 8.071 -14.124 1.00 0.00 N ATOM 0 H LYS A 5 -3.886 12.564 -10.779 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.025 12.000 -10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.075 11.463 -12.876 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.654 9.807 -12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.772 9.629 -11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.200 11.253 -11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.246 10.633 -13.963 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.448 9.104 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.631 8.702 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.327 9.869 -13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.598 7.577 -13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.693 8.496 -15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.912 7.392 -14.046 1.00 0.00 H new ATOM 75 N GLY A 6 -4.577 9.077 -9.964 1.00 0.00 N ATOM 76 CA GLY A 6 -4.170 8.129 -8.942 1.00 0.00 C ATOM 77 C GLY A 6 -3.559 8.871 -7.749 1.00 0.00 C ATOM 78 O GLY A 6 -3.792 8.513 -6.596 1.00 0.00 O ATOM 0 H GLY A 6 -4.200 8.863 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.029 7.544 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.445 7.427 -9.354 1.00 0.00 H new ATOM 79 N ALA A 7 -2.822 9.949 -8.032 1.00 0.00 N ATOM 80 CA ALA A 7 -2.301 10.866 -7.030 1.00 0.00 C ATOM 81 C ALA A 7 -3.424 11.401 -6.143 1.00 0.00 C ATOM 82 O ALA A 7 -3.313 11.402 -4.917 1.00 0.00 O ATOM 83 CB ALA A 7 -1.577 12.020 -7.732 1.00 0.00 C ATOM 0 H ALA A 7 -2.569 10.209 -8.985 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.599 10.331 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.184 12.711 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.755 11.625 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.276 12.547 -8.382 1.00 0.00 H new ATOM 84 N THR A 8 -4.498 11.883 -6.766 1.00 0.00 N ATOM 85 CA THR A 8 -5.643 12.438 -6.076 1.00 0.00 C ATOM 86 C THR A 8 -6.281 11.354 -5.210 1.00 0.00 C ATOM 87 O THR A 8 -6.582 11.590 -4.043 1.00 0.00 O ATOM 88 CB THR A 8 -6.611 12.993 -7.128 1.00 0.00 C ATOM 89 OG1 THR A 8 -5.873 13.697 -8.111 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.651 13.924 -6.499 1.00 0.00 C ATOM 0 H THR A 8 -4.591 11.895 -7.782 1.00 0.00 H new ATOM 0 HA THR A 8 -5.355 13.253 -5.412 1.00 0.00 H new ATOM 0 HB THR A 8 -7.143 12.157 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.486 14.053 -8.788 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.320 14.299 -7.274 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.228 13.375 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.146 14.762 -6.019 1.00 0.00 H new ATOM 91 N LEU A 9 -6.448 10.154 -5.771 1.00 0.00 N ATOM 92 CA LEU A 9 -7.011 9.009 -5.082 1.00 0.00 C ATOM 93 C LEU A 9 -6.185 8.695 -3.834 1.00 0.00 C ATOM 94 O LEU A 9 -6.730 8.593 -2.739 1.00 0.00 O ATOM 95 CB LEU A 9 -7.066 7.823 -6.059 1.00 0.00 C ATOM 96 CG LEU A 9 -8.466 7.494 -6.602 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.388 6.944 -5.506 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.104 8.694 -7.310 1.00 0.00 C ATOM 0 H LEU A 9 -6.188 9.956 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.026 9.222 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.406 8.034 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.670 6.940 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.335 6.709 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.367 6.724 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.958 6.031 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.494 7.685 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.092 8.416 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.198 9.523 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.477 8.997 -8.148 1.00 0.00 H new ATOM 99 N PHE A 10 -4.863 8.577 -3.992 1.00 0.00 N ATOM 100 CA PHE A 10 -3.941 8.413 -2.875 1.00 0.00 C ATOM 101 C PHE A 10 -4.212 9.487 -1.822 1.00 0.00 C ATOM 102 O PHE A 10 -4.402 9.184 -0.642 1.00 0.00 O ATOM 103 CB PHE A 10 -2.491 8.476 -3.373 1.00 0.00 C ATOM 104 CG PHE A 10 -1.449 8.365 -2.276 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.062 9.502 -1.540 1.00 0.00 C ATOM 106 CD2 PHE A 10 -0.920 7.106 -1.939 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.232 9.365 -0.413 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.068 6.975 -0.830 1.00 0.00 C ATOM 109 CZ PHE A 10 0.243 8.097 -0.043 1.00 0.00 C ATOM 0 H PHE A 10 -4.405 8.593 -4.903 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.095 7.436 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.331 7.673 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.342 9.415 -3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.403 10.481 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.169 6.239 -2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.040 10.234 0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.349 6.010 -0.582 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.847 7.984 0.845 1.00 0.00 H new ATOM 110 N LYS A 11 -4.244 10.748 -2.266 1.00 0.00 N ATOM 111 CA LYS A 11 -4.478 11.871 -1.371 1.00 0.00 C ATOM 112 C LYS A 11 -5.810 11.745 -0.628 1.00 0.00 C ATOM 113 O LYS A 11 -5.873 12.083 0.551 1.00 0.00 O ATOM 114 CB LYS A 11 -4.335 13.211 -2.110 1.00 0.00 C ATOM 115 CG LYS A 11 -2.908 13.753 -1.938 1.00 0.00 C ATOM 116 CD LYS A 11 -2.672 15.002 -2.800 1.00 0.00 C ATOM 117 CE LYS A 11 -2.138 14.634 -4.191 1.00 0.00 C ATOM 118 NZ LYS A 11 -0.710 14.248 -4.162 1.00 0.00 N ATOM 0 H LYS A 11 -4.110 11.010 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.704 11.849 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.558 13.078 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.056 13.930 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.734 13.995 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.189 12.980 -2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.605 15.556 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.963 15.662 -2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.726 13.811 -4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.269 15.482 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.364 14.124 -5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.158 14.993 -3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.602 13.355 -3.640 1.00 0.00 H new ATOM 119 N THR A 12 -6.868 11.258 -1.282 1.00 0.00 N ATOM 120 CA THR A 12 -8.177 11.139 -0.657 1.00 0.00 C ATOM 121 C THR A 12 -8.385 9.773 0.008 1.00 0.00 C ATOM 122 O THR A 12 -9.509 9.475 0.412 1.00 0.00 O ATOM 123 CB THR A 12 -9.268 11.462 -1.688 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.141 10.630 -2.823 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.174 12.927 -2.129 1.00 0.00 C ATOM 0 H THR A 12 -6.837 10.939 -2.250 1.00 0.00 H new ATOM 0 HA THR A 12 -8.242 11.866 0.153 1.00 0.00 H new ATOM 0 HB THR A 12 -10.235 11.286 -1.217 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.405 10.953 -3.384 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.955 13.138 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.302 13.577 -1.263 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.198 13.110 -2.578 1.00 0.00 H new ATOM 126 N ARG A 13 -7.341 8.942 0.145 1.00 0.00 N ATOM 127 CA ARG A 13 -7.454 7.654 0.814 1.00 0.00 C ATOM 128 C ARG A 13 -6.195 7.342 1.615 1.00 0.00 C ATOM 129 O ARG A 13 -6.202 7.370 2.841 1.00 0.00 O ATOM 130 CB ARG A 13 -7.727 6.536 -0.205 1.00 0.00 C ATOM 131 CG ARG A 13 -9.143 6.620 -0.782 1.00 0.00 C ATOM 132 CD ARG A 13 -9.441 5.395 -1.655 1.00 0.00 C ATOM 133 NE ARG A 13 -10.837 4.948 -1.513 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.917 5.569 -2.012 1.00 0.00 C ATOM 135 NH1 ARG A 13 -11.771 6.690 -2.723 1.00 0.00 N ATOM 136 NH2 ARG A 13 -13.135 5.062 -1.785 1.00 0.00 N ATOM 0 H ARG A 13 -6.405 9.149 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.295 7.709 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.001 6.599 -1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.587 5.567 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.869 6.682 0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.248 7.530 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.241 5.636 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.769 4.581 -1.381 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.998 4.088 -0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.840 7.073 -2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.591 7.163 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.238 4.209 -1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.960 5.529 -2.161 1.00 0.00 H new ATOM 137 N CYS A 14 -5.118 6.986 0.922 1.00 0.00 N ATOM 138 CA CYS A 14 -3.971 6.330 1.533 1.00 0.00 C ATOM 139 C CYS A 14 -3.281 7.306 2.480 1.00 0.00 C ATOM 140 O CYS A 14 -2.913 6.942 3.598 1.00 0.00 O ATOM 141 CB CYS A 14 -3.020 5.831 0.475 1.00 0.00 C ATOM 142 SG CYS A 14 -3.804 4.970 -0.922 1.00 0.00 S ATOM 0 H CYS A 14 -5.017 7.145 -0.080 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.308 5.464 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.454 6.678 0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.303 5.156 0.942 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.188 5.281 -2.024 1.00 0.00 H new ATOM 143 N LEU A 15 -3.160 8.564 2.040 1.00 0.00 N ATOM 144 CA LEU A 15 -2.601 9.673 2.803 1.00 0.00 C ATOM 145 C LEU A 15 -3.120 9.720 4.241 1.00 0.00 C ATOM 146 O LEU A 15 -2.374 10.100 5.142 1.00 0.00 O ATOM 147 CB LEU A 15 -2.957 10.968 2.064 1.00 0.00 C ATOM 148 CG LEU A 15 -2.409 12.262 2.682 1.00 0.00 C ATOM 149 CD1 LEU A 15 -1.102 12.667 2.000 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.435 13.392 2.562 1.00 0.00 C ATOM 0 H LEU A 15 -3.462 8.842 1.106 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.521 9.543 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.590 10.893 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.043 11.046 2.008 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.213 12.080 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.727 13.586 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.365 11.874 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.281 12.830 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.029 14.301 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.659 13.570 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.349 13.111 3.085 1.00 0.00 H new ATOM 151 N GLN A 16 -4.386 9.353 4.466 1.00 0.00 N ATOM 152 CA GLN A 16 -4.974 9.232 5.794 1.00 0.00 C ATOM 153 C GLN A 16 -3.992 8.557 6.755 1.00 0.00 C ATOM 154 O GLN A 16 -3.721 9.069 7.842 1.00 0.00 O ATOM 155 CB GLN A 16 -6.270 8.421 5.659 1.00 0.00 C ATOM 156 CG GLN A 16 -7.106 8.315 6.940 1.00 0.00 C ATOM 157 CD GLN A 16 -8.342 7.442 6.719 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.741 7.172 5.590 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.969 6.979 7.795 1.00 0.00 N ATOM 0 H GLN A 16 -5.038 9.129 3.714 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.197 10.216 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.884 8.872 4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.018 7.415 5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.498 7.894 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.413 9.310 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.624 7.213 8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.795 6.390 7.690 1.00 0.00 H new ATOM 160 N CYS A 17 -3.447 7.415 6.331 1.00 0.00 N ATOM 161 CA CYS A 17 -2.726 6.484 7.184 1.00 0.00 C ATOM 162 C CYS A 17 -1.242 6.398 6.833 1.00 0.00 C ATOM 163 O CYS A 17 -0.428 6.137 7.718 1.00 0.00 O ATOM 164 CB CYS A 17 -3.358 5.128 7.048 1.00 0.00 C ATOM 165 SG CYS A 17 -5.009 5.104 7.816 1.00 0.00 S ATOM 0 H CYS A 17 -3.499 7.110 5.359 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.788 6.845 8.211 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.439 4.863 5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.723 4.377 7.517 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.533 3.922 7.682 1.00 0.00 H new ATOM 166 N HIS A 18 -0.903 6.579 5.555 1.00 0.00 N ATOM 167 CA HIS A 18 0.427 6.379 4.991 1.00 0.00 C ATOM 168 C HIS A 18 1.102 7.690 4.600 1.00 0.00 C ATOM 169 O HIS A 18 0.526 8.775 4.709 1.00 0.00 O ATOM 170 CB HIS A 18 0.294 5.498 3.746 1.00 0.00 C ATOM 171 CG HIS A 18 0.018 4.067 4.082 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.987 3.137 4.359 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.178 3.416 3.974 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.394 1.938 4.390 1.00 0.00 C ATOM 175 NE2 HIS A 18 -0.923 2.056 4.171 1.00 0.00 N ATOM 0 H HIS A 18 -1.581 6.883 4.856 1.00 0.00 H new ATOM 0 HA HIS A 18 1.048 5.909 5.753 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.510 5.882 3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.212 5.560 3.162 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.978 3.325 4.513 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.139 3.867 3.774 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.906 1.004 4.567 1.00 0.00 H new ATOM 176 N THR A 19 2.330 7.548 4.098 1.00 0.00 N ATOM 177 CA THR A 19 3.081 8.569 3.395 1.00 0.00 C ATOM 178 C THR A 19 3.778 7.942 2.176 1.00 0.00 C ATOM 179 O THR A 19 4.090 6.751 2.178 1.00 0.00 O ATOM 180 CB THR A 19 4.088 9.226 4.350 1.00 0.00 C ATOM 181 OG1 THR A 19 4.895 8.271 5.023 1.00 0.00 O ATOM 182 CG2 THR A 19 3.392 10.122 5.375 1.00 0.00 C ATOM 0 H THR A 19 2.846 6.672 4.179 1.00 0.00 H new ATOM 0 HA THR A 19 2.408 9.348 3.037 1.00 0.00 H new ATOM 0 HB THR A 19 4.736 9.841 3.726 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.730 8.325 5.988 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.137 10.569 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.845 10.910 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.697 9.526 5.966 1.00 0.00 H new ATOM 183 N VAL A 20 3.983 8.744 1.123 1.00 0.00 N ATOM 184 CA VAL A 20 4.722 8.403 -0.091 1.00 0.00 C ATOM 185 C VAL A 20 6.092 9.088 -0.087 1.00 0.00 C ATOM 186 O VAL A 20 7.075 8.518 -0.551 1.00 0.00 O ATOM 187 CB VAL A 20 3.870 8.803 -1.314 1.00 0.00 C ATOM 188 CG1 VAL A 20 4.652 9.423 -2.479 1.00 0.00 C ATOM 189 CG2 VAL A 20 3.112 7.574 -1.815 1.00 0.00 C ATOM 0 H VAL A 20 3.618 9.696 1.098 1.00 0.00 H new ATOM 0 HA VAL A 20 4.908 7.330 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 20 3.198 9.586 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.965 9.669 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.153 10.330 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.395 8.711 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.507 7.847 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.823 6.799 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.464 7.198 -1.023 1.00 0.00 H new ATOM 190 N GLU A 21 6.135 10.333 0.394 1.00 0.00 N ATOM 191 CA GLU A 21 7.319 11.175 0.403 1.00 0.00 C ATOM 192 C GLU A 21 8.531 10.456 1.011 1.00 0.00 C ATOM 193 O GLU A 21 8.403 9.671 1.957 1.00 0.00 O ATOM 194 CB GLU A 21 6.979 12.488 1.125 1.00 0.00 C ATOM 195 CG GLU A 21 6.522 12.239 2.569 1.00 0.00 C ATOM 196 CD GLU A 21 5.901 13.451 3.243 1.00 0.00 C ATOM 197 OE1 GLU A 21 6.031 14.557 2.677 1.00 0.00 O ATOM 198 OE2 GLU A 21 5.285 13.226 4.309 1.00 0.00 O ATOM 0 H GLU A 21 5.318 10.791 0.799 1.00 0.00 H new ATOM 0 HA GLU A 21 7.613 11.405 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.853 13.139 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.193 13.011 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.798 11.424 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.378 11.909 3.157 1.00 0.00 H new ATOM 216 N PRO A 25 6.817 9.919 7.693 1.00 0.00 N ATOM 217 CA PRO A 25 6.726 9.065 8.863 1.00 0.00 C ATOM 218 C PRO A 25 5.752 7.905 8.648 1.00 0.00 C ATOM 219 O PRO A 25 4.822 7.984 7.840 1.00 0.00 O ATOM 220 CB PRO A 25 6.277 9.981 10.008 1.00 0.00 C ATOM 221 CG PRO A 25 5.542 11.113 9.288 1.00 0.00 C ATOM 222 CD PRO A 25 6.342 11.259 7.995 1.00 0.00 C ATOM 0 HA PRO A 25 7.683 8.593 9.084 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.624 9.459 10.708 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.126 10.354 10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.500 10.861 9.094 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.543 12.033 9.872 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.721 11.649 7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.173 11.953 8.121 1.00 0.00 H new ATOM 223 N HIS A 26 5.968 6.840 9.426 1.00 0.00 N ATOM 224 CA HIS A 26 5.042 5.731 9.570 1.00 0.00 C ATOM 225 C HIS A 26 3.975 6.190 10.563 1.00 0.00 C ATOM 226 O HIS A 26 4.234 6.225 11.763 1.00 0.00 O ATOM 227 CB HIS A 26 5.782 4.478 10.072 1.00 0.00 C ATOM 228 CG HIS A 26 7.160 4.302 9.485 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.462 4.179 8.150 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.343 4.313 10.178 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.797 4.066 8.051 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.378 4.147 9.257 1.00 0.00 N ATOM 0 H HIS A 26 6.815 6.730 9.984 1.00 0.00 H new ATOM 0 HA HIS A 26 4.586 5.459 8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.865 4.528 11.158 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.184 3.597 9.838 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.454 4.429 11.246 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.332 3.928 7.123 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.376 4.097 9.460 1.00 0.00 H new ATOM 233 N LYS A 27 2.816 6.625 10.069 1.00 0.00 N ATOM 234 CA LYS A 27 1.753 7.140 10.907 1.00 0.00 C ATOM 235 C LYS A 27 0.919 5.956 11.407 1.00 0.00 C ATOM 236 O LYS A 27 1.368 5.201 12.266 1.00 0.00 O ATOM 237 CB LYS A 27 0.941 8.147 10.092 1.00 0.00 C ATOM 238 CG LYS A 27 1.738 9.381 9.662 1.00 0.00 C ATOM 239 CD LYS A 27 0.798 10.416 9.026 1.00 0.00 C ATOM 240 CE LYS A 27 -0.016 9.814 7.868 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.785 10.827 7.126 1.00 0.00 N ATOM 0 H LYS A 27 2.595 6.627 9.073 1.00 0.00 H new ATOM 0 HA LYS A 27 2.134 7.664 11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.551 7.651 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.082 8.468 10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.243 9.817 10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.512 9.095 8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.118 10.804 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.382 11.260 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.659 9.302 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.699 9.062 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.465 10.354 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.298 11.433 7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.136 11.410 6.560 1.00 0.00 H new ATOM 242 N VAL A 28 -0.284 5.756 10.859 1.00 0.00 N ATOM 243 CA VAL A 28 -1.044 4.547 11.128 1.00 0.00 C ATOM 244 C VAL A 28 -0.424 3.409 10.332 1.00 0.00 C ATOM 245 O VAL A 28 -0.256 2.323 10.880 1.00 0.00 O ATOM 246 CB VAL A 28 -2.532 4.740 10.807 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.303 3.418 10.847 1.00 0.00 C ATOM 248 CG2 VAL A 28 -3.164 5.658 11.849 1.00 0.00 C ATOM 0 H VAL A 28 -0.744 6.415 10.231 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.999 4.305 12.190 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.589 5.163 9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.352 3.601 10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.883 2.730 10.114 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.224 2.980 11.842 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.221 5.795 11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.062 5.211 12.838 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.662 6.625 11.834 1.00 0.00 H new ATOM 249 N GLY A 29 -0.100 3.653 9.059 1.00 0.00 N ATOM 250 CA GLY A 29 0.573 2.710 8.181 1.00 0.00 C ATOM 251 C GLY A 29 2.023 3.144 7.943 1.00 0.00 C ATOM 252 O GLY A 29 2.387 4.278 8.264 1.00 0.00 O ATOM 0 H GLY A 29 -0.308 4.542 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.553 1.714 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.044 2.648 7.230 1.00 0.00 H new ATOM 253 N PRO A 30 2.858 2.250 7.389 1.00 0.00 N ATOM 254 CA PRO A 30 4.244 2.533 7.036 1.00 0.00 C ATOM 255 C PRO A 30 4.346 3.524 5.866 1.00 0.00 C ATOM 256 O PRO A 30 3.339 4.027 5.371 1.00 0.00 O ATOM 257 CB PRO A 30 4.869 1.168 6.720 1.00 0.00 C ATOM 258 CG PRO A 30 3.679 0.319 6.277 1.00 0.00 C ATOM 259 CD PRO A 30 2.531 0.859 7.125 1.00 0.00 C ATOM 0 HA PRO A 30 4.778 3.025 7.849 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.621 1.244 5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.362 0.741 7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.479 0.430 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.851 -0.742 6.460 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.581 0.773 6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.432 0.297 8.054 1.00 0.00 H new ATOM 260 N ASN A 31 5.568 3.805 5.410 1.00 0.00 N ATOM 261 CA ASN A 31 5.809 4.666 4.255 1.00 0.00 C ATOM 262 C ASN A 31 5.897 3.784 3.009 1.00 0.00 C ATOM 263 O ASN A 31 6.428 2.678 3.093 1.00 0.00 O ATOM 264 CB ASN A 31 7.099 5.460 4.465 1.00 0.00 C ATOM 265 CG ASN A 31 7.408 6.363 3.274 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.984 5.909 2.290 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.039 7.636 3.345 1.00 0.00 N ATOM 0 H ASN A 31 6.420 3.439 5.834 1.00 0.00 H new ATOM 0 HA ASN A 31 4.996 5.381 4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.011 6.065 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.928 4.771 4.624 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.233 8.267 2.568 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.562 7.983 4.177 1.00 0.00 H new ATOM 268 N LEU A 32 5.351 4.243 1.879 1.00 0.00 N ATOM 269 CA LEU A 32 5.180 3.443 0.672 1.00 0.00 C ATOM 270 C LEU A 32 6.149 3.844 -0.449 1.00 0.00 C ATOM 271 O LEU A 32 5.956 3.444 -1.598 1.00 0.00 O ATOM 272 CB LEU A 32 3.708 3.538 0.236 1.00 0.00 C ATOM 273 CG LEU A 32 2.727 2.978 1.285 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.289 3.159 0.788 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.968 1.490 1.573 1.00 0.00 C ATOM 0 H LEU A 32 5.011 5.199 1.780 1.00 0.00 H new ATOM 0 HA LEU A 32 5.428 2.405 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.461 4.581 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.577 2.996 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 32 2.891 3.531 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.595 2.763 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.088 4.219 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.159 2.624 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.252 1.143 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.843 0.917 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.981 1.352 1.951 1.00 0.00 H new ATOM 276 N HIS A 33 7.213 4.595 -0.143 1.00 0.00 N ATOM 277 CA HIS A 33 8.293 4.807 -1.099 1.00 0.00 C ATOM 278 C HIS A 33 8.966 3.466 -1.418 1.00 0.00 C ATOM 279 O HIS A 33 9.026 2.591 -0.556 1.00 0.00 O ATOM 280 CB HIS A 33 9.317 5.783 -0.514 1.00 0.00 C ATOM 281 CG HIS A 33 10.470 6.047 -1.444 1.00 0.00 C ATOM 282 ND1 HIS A 33 11.734 5.518 -1.323 1.00 0.00 N ATOM 283 CD2 HIS A 33 10.436 6.797 -2.590 1.00 0.00 C ATOM 284 CE1 HIS A 33 12.458 5.966 -2.362 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.719 6.766 -3.144 1.00 0.00 N ATOM 0 H HIS A 33 7.344 5.061 0.755 1.00 0.00 H new ATOM 0 HA HIS A 33 7.887 5.230 -2.018 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.821 6.725 -0.281 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.698 5.382 0.425 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.578 7.316 -2.991 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.493 5.716 -2.543 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.032 7.257 -3.981 1.00 0.00 H new ATOM 286 N GLY A 34 9.488 3.303 -2.639 1.00 0.00 N ATOM 287 CA GLY A 34 10.247 2.121 -3.030 1.00 0.00 C ATOM 288 C GLY A 34 9.536 0.797 -2.720 1.00 0.00 C ATOM 289 O GLY A 34 10.189 -0.198 -2.412 1.00 0.00 O ATOM 0 H GLY A 34 9.392 3.994 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.453 2.170 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.210 2.134 -2.519 1.00 0.00 H new ATOM 290 N ILE A 35 8.202 0.773 -2.791 1.00 0.00 N ATOM 291 CA ILE A 35 7.423 -0.422 -2.489 1.00 0.00 C ATOM 292 C ILE A 35 7.441 -1.379 -3.689 1.00 0.00 C ATOM 293 O ILE A 35 7.812 -2.543 -3.549 1.00 0.00 O ATOM 294 CB ILE A 35 6.032 -0.009 -1.965 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.232 -1.172 -1.365 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.140 0.664 -3.004 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.630 -1.438 0.082 1.00 0.00 C ATOM 0 H ILE A 35 7.638 1.580 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 35 7.867 -1.001 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 35 6.284 0.713 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.167 -0.946 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.395 -2.071 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.183 0.921 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.624 1.571 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.975 -0.018 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.043 -2.268 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.690 -1.690 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.443 -0.547 0.681 1.00 0.00 H new ATOM 298 N PHE A 36 7.098 -0.876 -4.880 1.00 0.00 N ATOM 299 CA PHE A 36 7.049 -1.663 -6.110 1.00 0.00 C ATOM 300 C PHE A 36 8.420 -2.237 -6.456 1.00 0.00 C ATOM 301 O PHE A 36 9.200 -1.591 -7.151 1.00 0.00 O ATOM 302 CB PHE A 36 6.505 -0.826 -7.276 1.00 0.00 C ATOM 303 CG PHE A 36 5.000 -0.666 -7.242 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.421 0.251 -6.351 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.175 -1.545 -7.970 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.040 0.218 -6.113 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.778 -1.488 -7.817 1.00 0.00 C ATOM 308 CZ PHE A 36 2.213 -0.624 -6.866 1.00 0.00 C ATOM 0 H PHE A 36 6.844 0.103 -5.015 1.00 0.00 H new ATOM 0 HA PHE A 36 6.368 -2.497 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.970 0.160 -7.255 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.793 -1.294 -8.217 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.039 0.981 -5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.615 -2.263 -8.646 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.612 0.845 -5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.141 -2.108 -8.430 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.144 -0.609 -6.716 1.00 0.00 H new ATOM 309 N GLY A 37 8.691 -3.461 -5.999 1.00 0.00 N ATOM 310 CA GLY A 37 9.917 -4.185 -6.295 1.00 0.00 C ATOM 311 C GLY A 37 10.537 -4.797 -5.041 1.00 0.00 C ATOM 312 O GLY A 37 11.275 -5.776 -5.149 1.00 0.00 O ATOM 0 H GLY A 37 8.049 -3.982 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.707 -4.974 -7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.634 -3.509 -6.761 1.00 0.00 H new ATOM 313 N ARG A 38 10.261 -4.232 -3.860 1.00 0.00 N ATOM 314 CA ARG A 38 10.782 -4.742 -2.600 1.00 0.00 C ATOM 315 C ARG A 38 9.639 -5.425 -1.855 1.00 0.00 C ATOM 316 O ARG A 38 8.534 -4.897 -1.769 1.00 0.00 O ATOM 317 CB ARG A 38 11.434 -3.604 -1.806 1.00 0.00 C ATOM 318 CG ARG A 38 11.808 -3.947 -0.352 1.00 0.00 C ATOM 319 CD ARG A 38 12.813 -5.108 -0.215 1.00 0.00 C ATOM 320 NE ARG A 38 13.302 -5.293 1.167 1.00 0.00 N ATOM 321 CZ ARG A 38 12.637 -5.848 2.200 1.00 0.00 C ATOM 322 NH1 ARG A 38 11.382 -6.286 2.081 1.00 0.00 N ATOM 323 NH2 ARG A 38 13.196 -5.907 3.412 1.00 0.00 N ATOM 0 H ARG A 38 9.669 -3.408 -3.758 1.00 0.00 H new ATOM 0 HA ARG A 38 11.565 -5.483 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.335 -3.287 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.754 -2.752 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.228 -3.060 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.900 -4.201 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.341 -6.031 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.663 -4.925 -0.873 1.00 0.00 H new ATOM 0 HE ARG A 38 14.248 -4.964 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.896 -6.206 1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.908 -6.701 2.883 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.132 -5.531 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.686 -6.328 4.189 1.00 0.00 H new ATOM 324 N GLN A 39 9.928 -6.609 -1.311 1.00 0.00 N ATOM 325 CA GLN A 39 8.964 -7.452 -0.634 1.00 0.00 C ATOM 326 C GLN A 39 8.457 -6.723 0.599 1.00 0.00 C ATOM 327 O GLN A 39 9.025 -5.720 1.037 1.00 0.00 O ATOM 328 CB GLN A 39 9.625 -8.774 -0.234 1.00 0.00 C ATOM 329 CG GLN A 39 8.714 -9.981 0.046 1.00 0.00 C ATOM 330 CD GLN A 39 9.507 -11.287 0.058 1.00 0.00 C ATOM 331 OE1 GLN A 39 10.710 -11.292 0.287 1.00 0.00 O ATOM 332 NE2 GLN A 39 8.847 -12.413 -0.200 1.00 0.00 N ATOM 0 H GLN A 39 10.865 -7.010 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 39 8.127 -7.669 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.317 -9.055 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.222 -8.592 0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.215 -9.847 1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.934 -10.034 -0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.845 -12.385 -0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.343 -13.304 -0.210 1.00 0.00 H new ATOM 333 N SER A 40 7.428 -7.301 1.186 1.00 0.00 N ATOM 334 CA SER A 40 6.730 -6.748 2.320 1.00 0.00 C ATOM 335 C SER A 40 7.655 -6.774 3.528 1.00 0.00 C ATOM 336 O SER A 40 8.513 -7.654 3.643 1.00 0.00 O ATOM 337 CB SER A 40 5.384 -7.464 2.494 1.00 0.00 C ATOM 338 OG SER A 40 5.535 -8.764 3.010 1.00 0.00 O ATOM 0 H SER A 40 7.047 -8.194 0.875 1.00 0.00 H new ATOM 0 HA SER A 40 6.470 -5.700 2.174 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.749 -6.882 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.874 -7.514 1.532 1.00 0.00 H new ATOM 0 HG SER A 40 5.276 -8.773 3.955 1.00 0.00 H new ATOM 339 N GLY A 41 7.545 -5.754 4.377 1.00 0.00 N ATOM 340 CA GLY A 41 8.495 -5.582 5.458 1.00 0.00 C ATOM 341 C GLY A 41 9.835 -5.019 4.954 1.00 0.00 C ATOM 342 O GLY A 41 10.762 -5.777 4.649 1.00 0.00 O ATOM 0 H GLY A 41 6.813 -5.045 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.076 -4.910 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.665 -6.540 5.949 1.00 0.00 H new ATOM 370 N TYR A 46 9.052 0.543 12.934 1.00 0.00 N ATOM 371 CA TYR A 46 7.609 0.719 13.020 1.00 0.00 C ATOM 372 C TYR A 46 6.931 -0.597 13.449 1.00 0.00 C ATOM 373 O TYR A 46 7.526 -1.674 13.392 1.00 0.00 O ATOM 374 CB TYR A 46 7.098 1.323 11.700 1.00 0.00 C ATOM 375 CG TYR A 46 5.619 1.152 11.425 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.664 2.033 11.970 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.193 0.063 10.652 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.292 1.811 11.751 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.833 -0.144 10.423 1.00 0.00 C ATOM 380 CZ TYR A 46 2.880 0.686 11.019 1.00 0.00 C ATOM 381 OH TYR A 46 1.567 0.411 10.809 1.00 0.00 O ATOM 0 HA TYR A 46 7.341 1.431 13.801 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.328 2.388 11.697 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.655 0.874 10.878 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.986 2.880 12.557 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.920 -0.617 10.233 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.560 2.502 12.144 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.514 -0.951 9.781 1.00 0.00 H new ATOM 0 HH TYR A 46 1.051 1.244 10.833 1.00 0.00 H new ATOM 382 N SER A 47 5.687 -0.503 13.925 1.00 0.00 N ATOM 383 CA SER A 47 4.900 -1.591 14.479 1.00 0.00 C ATOM 384 C SER A 47 4.480 -2.593 13.395 1.00 0.00 C ATOM 385 O SER A 47 3.356 -2.561 12.900 1.00 0.00 O ATOM 386 CB SER A 47 3.706 -0.963 15.217 1.00 0.00 C ATOM 387 OG SER A 47 3.400 0.312 14.670 1.00 0.00 O ATOM 0 H SER A 47 5.182 0.383 13.932 1.00 0.00 H new ATOM 0 HA SER A 47 5.490 -2.176 15.184 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.837 -1.617 15.139 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.937 -0.865 16.278 1.00 0.00 H new ATOM 0 HG SER A 47 3.328 0.241 13.695 1.00 0.00 H new ATOM 388 N TYR A 48 5.398 -3.495 13.047 1.00 0.00 N ATOM 389 CA TYR A 48 5.213 -4.565 12.090 1.00 0.00 C ATOM 390 C TYR A 48 4.268 -5.646 12.637 1.00 0.00 C ATOM 391 O TYR A 48 3.844 -5.579 13.791 1.00 0.00 O ATOM 392 CB TYR A 48 6.609 -5.148 11.830 1.00 0.00 C ATOM 393 CG TYR A 48 7.419 -4.448 10.763 1.00 0.00 C ATOM 394 CD1 TYR A 48 7.240 -3.077 10.508 1.00 0.00 C ATOM 395 CD2 TYR A 48 8.265 -5.202 9.933 1.00 0.00 C ATOM 396 CE1 TYR A 48 7.718 -2.518 9.319 1.00 0.00 C ATOM 397 CE2 TYR A 48 8.790 -4.625 8.769 1.00 0.00 C ATOM 398 CZ TYR A 48 8.434 -3.312 8.421 1.00 0.00 C ATOM 399 OH TYR A 48 8.641 -2.842 7.163 1.00 0.00 O ATOM 0 H TYR A 48 6.335 -3.491 13.450 1.00 0.00 H new ATOM 0 HA TYR A 48 4.756 -4.193 11.173 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.173 -5.125 12.763 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.500 -6.196 11.549 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.733 -2.455 11.231 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.510 -6.222 10.191 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.534 -1.477 9.096 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.466 -5.188 8.142 1.00 0.00 H new ATOM 0 HH TYR A 48 7.793 -2.838 6.672 1.00 0.00 H new ATOM 400 N THR A 49 3.971 -6.669 11.822 1.00 0.00 N ATOM 401 CA THR A 49 3.160 -7.815 12.214 1.00 0.00 C ATOM 402 C THR A 49 3.845 -9.125 11.809 1.00 0.00 C ATOM 403 O THR A 49 4.423 -9.226 10.724 1.00 0.00 O ATOM 404 CB THR A 49 1.756 -7.718 11.594 1.00 0.00 C ATOM 405 OG1 THR A 49 1.798 -7.826 10.186 1.00 0.00 O ATOM 406 CG2 THR A 49 1.096 -6.387 11.924 1.00 0.00 C ATOM 0 H THR A 49 4.297 -6.717 10.857 1.00 0.00 H new ATOM 0 HA THR A 49 3.055 -7.809 13.299 1.00 0.00 H new ATOM 0 HB THR A 49 1.184 -8.544 12.017 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.889 -7.762 9.826 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.105 -6.350 11.471 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.005 -6.284 13.005 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.705 -5.572 11.532 1.00 0.00 H new ATOM 407 N ASP A 50 3.734 -10.149 12.670 1.00 0.00 N ATOM 408 CA ASP A 50 4.090 -11.522 12.322 1.00 0.00 C ATOM 409 C ASP A 50 3.370 -11.917 11.041 1.00 0.00 C ATOM 410 O ASP A 50 3.960 -12.480 10.129 1.00 0.00 O ATOM 411 CB ASP A 50 3.678 -12.481 13.437 1.00 0.00 C ATOM 412 CG ASP A 50 4.035 -13.923 13.071 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.231 -14.266 13.159 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.102 -14.664 12.693 1.00 0.00 O ATOM 0 H ASP A 50 3.394 -10.042 13.626 1.00 0.00 H new ATOM 0 HA ASP A 50 5.170 -11.580 12.184 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.176 -12.202 14.365 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.606 -12.401 13.614 1.00 0.00 H new ATOM 415 N ALA A 51 2.085 -11.574 10.984 1.00 0.00 N ATOM 416 CA ALA A 51 1.245 -11.759 9.813 1.00 0.00 C ATOM 417 C ALA A 51 1.936 -11.259 8.541 1.00 0.00 C ATOM 418 O ALA A 51 2.126 -12.043 7.611 1.00 0.00 O ATOM 419 CB ALA A 51 -0.106 -11.079 10.028 1.00 0.00 C ATOM 0 H ALA A 51 1.592 -11.151 11.770 1.00 0.00 H new ATOM 0 HA ALA A 51 1.073 -12.826 9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.730 -11.222 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.599 -11.516 10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.046 -10.013 10.196 1.00 0.00 H new ATOM 420 N ASN A 52 2.323 -9.976 8.477 1.00 0.00 N ATOM 421 CA ASN A 52 3.011 -9.458 7.296 1.00 0.00 C ATOM 422 C ASN A 52 4.283 -10.265 7.017 1.00 0.00 C ATOM 423 O ASN A 52 4.489 -10.694 5.888 1.00 0.00 O ATOM 424 CB ASN A 52 3.254 -7.950 7.439 1.00 0.00 C ATOM 425 CG ASN A 52 3.879 -7.277 6.210 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.650 -7.885 5.471 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.562 -6.007 5.971 1.00 0.00 N ATOM 0 H ASN A 52 2.172 -9.292 9.218 1.00 0.00 H new ATOM 0 HA ASN A 52 2.378 -9.582 6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.304 -7.463 7.658 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.904 -7.781 8.297 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.960 -5.525 5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.921 -5.516 6.593 1.00 0.00 H new ATOM 428 N ILE A 53 5.101 -10.540 8.037 1.00 0.00 N ATOM 429 CA ILE A 53 6.301 -11.366 7.869 1.00 0.00 C ATOM 430 C ILE A 53 5.958 -12.726 7.227 1.00 0.00 C ATOM 431 O ILE A 53 6.390 -13.032 6.119 1.00 0.00 O ATOM 432 CB ILE A 53 7.057 -11.497 9.208 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.576 -10.118 9.660 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.227 -12.480 9.071 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.174 -10.136 11.070 1.00 0.00 C ATOM 0 H ILE A 53 4.954 -10.203 8.988 1.00 0.00 H new ATOM 0 HA ILE A 53 6.978 -10.870 7.173 1.00 0.00 H new ATOM 0 HB ILE A 53 6.367 -11.881 9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.332 -9.772 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.757 -9.399 9.628 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.749 -12.560 10.025 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.847 -13.460 8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.918 -12.120 8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.522 -9.136 11.331 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.414 -10.453 11.784 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.013 -10.831 11.101 1.00 0.00 H new ATOM 436 N LYS A 54 5.161 -13.561 7.895 1.00 0.00 N ATOM 437 CA LYS A 54 4.756 -14.867 7.385 1.00 0.00 C ATOM 438 C LYS A 54 3.950 -14.777 6.084 1.00 0.00 C ATOM 439 O LYS A 54 3.735 -15.784 5.402 1.00 0.00 O ATOM 440 CB LYS A 54 3.979 -15.628 8.460 1.00 0.00 C ATOM 441 CG LYS A 54 4.939 -16.202 9.511 1.00 0.00 C ATOM 442 CD LYS A 54 4.195 -17.134 10.472 1.00 0.00 C ATOM 443 CE LYS A 54 5.201 -17.961 11.282 1.00 0.00 C ATOM 444 NZ LYS A 54 4.531 -18.790 12.302 1.00 0.00 N ATOM 0 H LYS A 54 4.776 -13.345 8.815 1.00 0.00 H new ATOM 0 HA LYS A 54 5.666 -15.415 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.262 -14.962 8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.407 -16.435 8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.743 -16.747 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.402 -15.389 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.566 -16.550 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.534 -17.796 9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.771 -18.602 10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.914 -17.294 11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.243 -19.335 12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.008 -18.177 12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.869 -19.444 11.838 1.00 0.00 H new ATOM 445 N LYS A 55 3.490 -13.587 5.716 1.00 0.00 N ATOM 446 CA LYS A 55 2.933 -13.300 4.411 1.00 0.00 C ATOM 447 C LYS A 55 3.823 -12.323 3.638 1.00 0.00 C ATOM 448 O LYS A 55 3.326 -11.400 3.002 1.00 0.00 O ATOM 449 CB LYS A 55 1.481 -12.870 4.593 1.00 0.00 C ATOM 450 CG LYS A 55 0.591 -13.133 3.373 1.00 0.00 C ATOM 451 CD LYS A 55 0.082 -14.582 3.226 1.00 0.00 C ATOM 452 CE LYS A 55 1.090 -15.619 2.688 1.00 0.00 C ATOM 453 NZ LYS A 55 1.730 -16.444 3.743 1.00 0.00 N ATOM 0 H LYS A 55 3.497 -12.778 6.337 1.00 0.00 H new ATOM 0 HA LYS A 55 2.916 -14.187 3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.064 -13.394 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.455 -11.805 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.270 -12.467 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.148 -12.868 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.267 -14.921 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.783 -14.573 2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.578 -16.278 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.866 -15.099 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.392 -17.115 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.248 -15.826 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.999 -16.969 4.264 1.00 0.00 H new ATOM 454 N ASN A 56 5.134 -12.596 3.670 1.00 0.00 N ATOM 455 CA ASN A 56 6.189 -11.935 2.902 1.00 0.00 C ATOM 456 C ASN A 56 5.821 -11.798 1.414 1.00 0.00 C ATOM 457 O ASN A 56 6.166 -12.645 0.589 1.00 0.00 O ATOM 458 CB ASN A 56 7.531 -12.677 3.067 1.00 0.00 C ATOM 459 CG ASN A 56 8.421 -12.199 4.217 1.00 0.00 C ATOM 460 OD1 ASN A 56 9.026 -13.014 4.907 1.00 0.00 O ATOM 461 ND2 ASN A 56 8.589 -10.890 4.404 1.00 0.00 N ATOM 0 H ASN A 56 5.506 -13.331 4.272 1.00 0.00 H new ATOM 0 HA ASN A 56 6.297 -10.927 3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.323 -13.737 3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.092 -12.585 2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.226 -10.556 5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.080 -10.223 3.824 1.00 0.00 H new ATOM 462 N VAL A 57 5.141 -10.712 1.060 1.00 0.00 N ATOM 463 CA VAL A 57 4.510 -10.480 -0.234 1.00 0.00 C ATOM 464 C VAL A 57 5.402 -9.570 -1.080 1.00 0.00 C ATOM 465 O VAL A 57 5.930 -8.587 -0.579 1.00 0.00 O ATOM 466 CB VAL A 57 3.108 -9.896 0.029 1.00 0.00 C ATOM 467 CG1 VAL A 57 2.649 -8.889 -1.024 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.086 -11.034 0.124 1.00 0.00 C ATOM 0 H VAL A 57 5.009 -9.930 1.701 1.00 0.00 H new ATOM 0 HA VAL A 57 4.390 -11.401 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 57 3.176 -9.351 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.654 -8.524 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.346 -8.052 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.619 -9.372 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.095 -10.619 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.075 -11.593 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.359 -11.701 0.942 1.00 0.00 H new ATOM 469 N LEU A 58 5.596 -9.903 -2.358 1.00 0.00 N ATOM 470 CA LEU A 58 6.576 -9.264 -3.239 1.00 0.00 C ATOM 471 C LEU A 58 6.228 -7.799 -3.564 1.00 0.00 C ATOM 472 O LEU A 58 7.096 -7.034 -3.971 1.00 0.00 O ATOM 473 CB LEU A 58 6.732 -10.179 -4.464 1.00 0.00 C ATOM 474 CG LEU A 58 7.893 -9.981 -5.453 1.00 0.00 C ATOM 475 CD1 LEU A 58 7.493 -9.119 -6.648 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.151 -9.438 -4.796 1.00 0.00 C ATOM 0 H LEU A 58 5.064 -10.641 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 58 7.542 -9.166 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.798 -11.202 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.808 -10.107 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 58 8.131 -10.979 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.346 -9.008 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.672 -9.596 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.176 -8.137 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.932 -9.321 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.936 -8.470 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.488 -10.132 -4.027 1.00 0.00 H new ATOM 477 N TRP A 59 4.970 -7.395 -3.367 1.00 0.00 N ATOM 478 CA TRP A 59 4.476 -6.065 -3.717 1.00 0.00 C ATOM 479 C TRP A 59 4.729 -5.738 -5.188 1.00 0.00 C ATOM 480 O TRP A 59 5.060 -4.610 -5.550 1.00 0.00 O ATOM 481 CB TRP A 59 4.979 -4.977 -2.752 1.00 0.00 C ATOM 482 CG TRP A 59 4.485 -5.042 -1.335 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.238 -4.808 -0.235 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.146 -5.351 -0.834 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.466 -4.971 0.898 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.203 -5.406 0.589 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.887 -5.611 -1.420 1.00 0.00 C ATOM 488 CZ2 TRP A 59 2.115 -5.794 1.380 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.783 -5.975 -0.634 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.903 -6.105 0.758 1.00 0.00 C ATOM 0 H TRP A 59 4.256 -7.995 -2.953 1.00 0.00 H new ATOM 0 HA TRP A 59 3.393 -6.079 -3.592 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.068 -5.018 -2.733 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.703 -4.006 -3.163 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.283 -4.535 -0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.794 -4.790 1.847 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.772 -5.528 -2.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.211 -5.852 2.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.171 -6.157 -1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.063 -6.444 1.346 1.00 0.00 H new ATOM 491 N ASP A 60 4.485 -6.726 -6.045 1.00 0.00 N ATOM 492 CA ASP A 60 4.234 -6.504 -7.454 1.00 0.00 C ATOM 493 C ASP A 60 2.814 -5.963 -7.639 1.00 0.00 C ATOM 494 O ASP A 60 1.997 -5.953 -6.718 1.00 0.00 O ATOM 495 CB ASP A 60 4.358 -7.839 -8.182 1.00 0.00 C ATOM 496 CG ASP A 60 3.302 -8.785 -7.640 1.00 0.00 C ATOM 497 OD1 ASP A 60 3.574 -9.337 -6.552 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.203 -8.819 -8.236 1.00 0.00 O ATOM 0 H ASP A 60 4.457 -7.709 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 60 4.950 -5.786 -7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.226 -7.699 -9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.353 -8.259 -8.036 1.00 0.00 H new ATOM 499 N GLU A 61 2.532 -5.559 -8.874 1.00 0.00 N ATOM 500 CA GLU A 61 1.270 -5.028 -9.341 1.00 0.00 C ATOM 501 C GLU A 61 0.086 -5.927 -8.964 1.00 0.00 C ATOM 502 O GLU A 61 -0.952 -5.432 -8.522 1.00 0.00 O ATOM 503 CB GLU A 61 1.423 -4.825 -10.862 1.00 0.00 C ATOM 504 CG GLU A 61 0.846 -3.513 -11.361 1.00 0.00 C ATOM 505 CD GLU A 61 1.366 -3.168 -12.754 1.00 0.00 C ATOM 506 OE1 GLU A 61 1.385 -4.070 -13.615 1.00 0.00 O ATOM 507 OE2 GLU A 61 1.825 -2.017 -12.926 1.00 0.00 O ATOM 0 H GLU A 61 3.229 -5.599 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 61 1.039 -4.078 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.481 -4.869 -11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.933 -5.649 -11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.242 -3.578 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.104 -2.713 -10.667 1.00 0.00 H new ATOM 508 N ASN A 62 0.216 -7.246 -9.137 1.00 0.00 N ATOM 509 CA ASN A 62 -0.901 -8.161 -8.969 1.00 0.00 C ATOM 510 C ASN A 62 -1.152 -8.404 -7.484 1.00 0.00 C ATOM 511 O ASN A 62 -2.272 -8.241 -7.002 1.00 0.00 O ATOM 512 CB ASN A 62 -0.641 -9.470 -9.719 1.00 0.00 C ATOM 513 CG ASN A 62 -1.851 -10.398 -9.683 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.985 -9.958 -9.531 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.626 -11.698 -9.844 1.00 0.00 N ATOM 0 H ASN A 62 1.093 -7.699 -9.395 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.799 -7.714 -9.396 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.384 -9.250 -10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.218 -9.976 -9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.407 -12.355 -9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.673 -12.039 -9.969 1.00 0.00 H new ATOM 516 N ASN A 63 -0.103 -8.754 -6.738 1.00 0.00 N ATOM 517 CA ASN A 63 -0.235 -8.965 -5.300 1.00 0.00 C ATOM 518 C ASN A 63 -0.762 -7.700 -4.633 1.00 0.00 C ATOM 519 O ASN A 63 -1.684 -7.770 -3.820 1.00 0.00 O ATOM 520 CB ASN A 63 1.087 -9.384 -4.658 1.00 0.00 C ATOM 521 CG ASN A 63 1.473 -10.827 -4.978 1.00 0.00 C ATOM 522 OD1 ASN A 63 1.033 -11.416 -5.959 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.235 -11.456 -4.083 1.00 0.00 N ATOM 0 H ASN A 63 0.839 -8.896 -7.104 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.944 -9.779 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.879 -8.717 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.014 -9.264 -3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.460 -12.443 -4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.593 -10.950 -3.273 1.00 0.00 H new ATOM 524 N MET A 64 -0.192 -6.540 -4.988 1.00 0.00 N ATOM 525 CA MET A 64 -0.676 -5.260 -4.499 1.00 0.00 C ATOM 526 C MET A 64 -2.152 -5.100 -4.846 1.00 0.00 C ATOM 527 O MET A 64 -2.947 -4.754 -3.978 1.00 0.00 O ATOM 528 CB MET A 64 0.148 -4.114 -5.106 1.00 0.00 C ATOM 529 CG MET A 64 -0.174 -2.763 -4.453 1.00 0.00 C ATOM 530 SD MET A 64 0.375 -2.573 -2.739 1.00 0.00 S ATOM 531 CE MET A 64 2.169 -2.515 -2.972 1.00 0.00 C ATOM 0 H MET A 64 0.609 -6.472 -5.616 1.00 0.00 H new ATOM 0 HA MET A 64 -0.564 -5.226 -3.415 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.210 -4.329 -4.988 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.048 -4.055 -6.177 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.280 -1.973 -5.051 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.253 -2.610 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.661 -2.471 -2.000 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.496 -3.408 -3.504 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.432 -1.630 -3.552 1.00 0.00 H new ATOM 532 N SER A 65 -2.523 -5.337 -6.108 1.00 0.00 N ATOM 533 CA SER A 65 -3.911 -5.258 -6.533 1.00 0.00 C ATOM 534 C SER A 65 -4.818 -6.085 -5.619 1.00 0.00 C ATOM 535 O SER A 65 -5.815 -5.565 -5.116 1.00 0.00 O ATOM 536 CB SER A 65 -4.035 -5.686 -8.001 1.00 0.00 C ATOM 537 OG SER A 65 -5.370 -5.548 -8.437 1.00 0.00 O ATOM 0 H SER A 65 -1.872 -5.586 -6.852 1.00 0.00 H new ATOM 0 HA SER A 65 -4.244 -4.223 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.377 -5.078 -8.622 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.713 -6.721 -8.114 1.00 0.00 H new ATOM 0 HG SER A 65 -5.513 -6.100 -9.234 1.00 0.00 H new ATOM 538 N GLU A 66 -4.491 -7.365 -5.419 1.00 0.00 N ATOM 539 CA GLU A 66 -5.310 -8.263 -4.622 1.00 0.00 C ATOM 540 C GLU A 66 -5.390 -7.719 -3.190 1.00 0.00 C ATOM 541 O GLU A 66 -6.471 -7.360 -2.722 1.00 0.00 O ATOM 542 CB GLU A 66 -4.734 -9.687 -4.715 1.00 0.00 C ATOM 543 CG GLU A 66 -5.822 -10.763 -4.860 1.00 0.00 C ATOM 544 CD GLU A 66 -6.791 -10.828 -3.688 1.00 0.00 C ATOM 545 OE1 GLU A 66 -6.422 -11.465 -2.681 1.00 0.00 O ATOM 546 OE2 GLU A 66 -7.900 -10.267 -3.827 1.00 0.00 O ATOM 0 H GLU A 66 -3.653 -7.800 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.332 -8.317 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.057 -9.745 -5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.142 -9.893 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.386 -10.574 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.343 -11.735 -4.976 1.00 0.00 H new ATOM 547 N TYR A 67 -4.231 -7.554 -2.538 1.00 0.00 N ATOM 548 CA TYR A 67 -4.124 -6.988 -1.197 1.00 0.00 C ATOM 549 C TYR A 67 -5.017 -5.765 -1.042 1.00 0.00 C ATOM 550 O TYR A 67 -5.840 -5.685 -0.135 1.00 0.00 O ATOM 551 CB TYR A 67 -2.678 -6.566 -0.913 1.00 0.00 C ATOM 552 CG TYR A 67 -2.490 -5.897 0.442 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.520 -6.673 1.612 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.360 -4.498 0.546 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.421 -6.069 2.875 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.301 -3.888 1.813 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.342 -4.674 2.980 1.00 0.00 C ATOM 558 OH TYR A 67 -2.534 -4.100 4.201 1.00 0.00 O ATOM 0 H TYR A 67 -3.330 -7.816 -2.939 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.440 -7.758 -0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.035 -7.445 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.348 -5.882 -1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.620 -7.746 1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.306 -3.893 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.406 -6.679 3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.224 -2.814 1.890 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.449 -3.127 4.122 1.00 0.00 H new ATOM 559 N LEU A 68 -4.847 -4.795 -1.935 1.00 0.00 N ATOM 560 CA LEU A 68 -5.498 -3.507 -1.840 1.00 0.00 C ATOM 561 C LEU A 68 -7.006 -3.610 -2.079 1.00 0.00 C ATOM 562 O LEU A 68 -7.741 -2.677 -1.762 1.00 0.00 O ATOM 563 CB LEU A 68 -4.801 -2.547 -2.805 1.00 0.00 C ATOM 564 CG LEU A 68 -5.061 -1.067 -2.514 1.00 0.00 C ATOM 565 CD1 LEU A 68 -4.465 -0.657 -1.160 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.403 -0.244 -3.624 1.00 0.00 C ATOM 0 H LEU A 68 -4.244 -4.889 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.404 -3.115 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.727 -2.730 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.128 -2.769 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.136 -0.891 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.665 0.399 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.918 -1.253 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.388 -0.826 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.574 0.817 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.331 -0.442 -3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.835 -0.520 -4.586 1.00 0.00 H new ATOM 567 N THR A 69 -7.484 -4.739 -2.609 1.00 0.00 N ATOM 568 CA THR A 69 -8.904 -5.036 -2.690 1.00 0.00 C ATOM 569 C THR A 69 -9.417 -5.612 -1.361 1.00 0.00 C ATOM 570 O THR A 69 -10.623 -5.569 -1.124 1.00 0.00 O ATOM 571 CB THR A 69 -9.165 -5.967 -3.887 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.567 -5.408 -5.041 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.659 -6.120 -4.186 1.00 0.00 C ATOM 0 H THR A 69 -6.888 -5.472 -2.994 1.00 0.00 H new ATOM 0 HA THR A 69 -9.465 -4.117 -2.859 1.00 0.00 H new ATOM 0 HB THR A 69 -8.750 -6.943 -3.635 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.613 -5.630 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.793 -6.786 -5.038 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.163 -6.539 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.086 -5.144 -4.417 1.00 0.00 H new ATOM 574 N ASN A 70 -8.547 -6.150 -0.492 1.00 0.00 N ATOM 575 CA ASN A 70 -8.965 -6.879 0.707 1.00 0.00 C ATOM 576 C ASN A 70 -7.806 -7.159 1.691 1.00 0.00 C ATOM 577 O ASN A 70 -7.439 -8.309 1.951 1.00 0.00 O ATOM 578 CB ASN A 70 -9.668 -8.180 0.273 1.00 0.00 C ATOM 579 CG ASN A 70 -8.834 -8.994 -0.725 1.00 0.00 C ATOM 580 OD1 ASN A 70 -7.635 -9.169 -0.559 1.00 0.00 O ATOM 581 ND2 ASN A 70 -9.462 -9.471 -1.794 1.00 0.00 N ATOM 0 H ASN A 70 -7.535 -6.090 -0.604 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.658 -6.248 1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.872 -8.790 1.153 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.631 -7.936 -0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.943 -9.996 -2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.463 -9.312 -1.911 1.00 0.00 H new ATOM 582 N PRO A 71 -7.252 -6.123 2.334 1.00 0.00 N ATOM 583 CA PRO A 71 -5.946 -6.214 2.969 1.00 0.00 C ATOM 584 C PRO A 71 -5.923 -7.259 4.078 1.00 0.00 C ATOM 585 O PRO A 71 -5.079 -8.152 4.094 1.00 0.00 O ATOM 586 CB PRO A 71 -5.626 -4.805 3.469 1.00 0.00 C ATOM 587 CG PRO A 71 -6.956 -4.054 3.464 1.00 0.00 C ATOM 588 CD PRO A 71 -7.822 -4.793 2.440 1.00 0.00 C ATOM 0 HA PRO A 71 -5.183 -6.552 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.196 -4.833 4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.897 -4.316 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.418 -4.062 4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.819 -3.009 3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.862 -4.837 2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.810 -4.284 1.476 1.00 0.00 H new ATOM 601 N LYS A 73 -7.844 -9.691 4.421 1.00 0.00 N ATOM 602 CA LYS A 73 -8.106 -11.020 3.897 1.00 0.00 C ATOM 603 C LYS A 73 -6.755 -11.600 3.480 1.00 0.00 C ATOM 604 O LYS A 73 -6.408 -12.717 3.854 1.00 0.00 O ATOM 605 CB LYS A 73 -9.071 -10.916 2.708 1.00 0.00 C ATOM 606 CG LYS A 73 -9.783 -12.228 2.358 1.00 0.00 C ATOM 607 CD LYS A 73 -11.038 -12.420 3.222 1.00 0.00 C ATOM 608 CE LYS A 73 -11.830 -13.649 2.753 1.00 0.00 C ATOM 609 NZ LYS A 73 -13.108 -13.797 3.481 1.00 0.00 N ATOM 0 HA LYS A 73 -8.575 -11.669 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.821 -10.157 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.517 -10.572 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.060 -12.226 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.103 -13.066 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.752 -12.541 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.666 -11.531 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.029 -13.565 1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.226 -14.545 2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.610 -14.639 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.918 -13.903 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.696 -12.954 3.325 1.00 0.00 H new ATOM 610 N TYR A 74 -5.996 -10.817 2.707 1.00 0.00 N ATOM 611 CA TYR A 74 -4.747 -11.258 2.107 1.00 0.00 C ATOM 612 C TYR A 74 -3.641 -11.437 3.155 1.00 0.00 C ATOM 613 O TYR A 74 -2.887 -12.408 3.091 1.00 0.00 O ATOM 614 CB TYR A 74 -4.359 -10.263 1.010 1.00 0.00 C ATOM 615 CG TYR A 74 -3.356 -10.783 -0.002 1.00 0.00 C ATOM 616 CD1 TYR A 74 -3.771 -11.735 -0.951 1.00 0.00 C ATOM 617 CD2 TYR A 74 -2.058 -10.245 -0.083 1.00 0.00 C ATOM 618 CE1 TYR A 74 -2.899 -12.142 -1.974 1.00 0.00 C ATOM 619 CE2 TYR A 74 -1.204 -10.617 -1.135 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.619 -11.578 -2.073 1.00 0.00 C ATOM 621 OH TYR A 74 -0.763 -12.021 -3.035 1.00 0.00 O ATOM 0 H TYR A 74 -6.239 -9.852 2.482 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.883 -12.243 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.262 -9.959 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.948 -9.369 1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.764 -12.155 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.718 -9.545 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.215 -12.891 -2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.228 -10.164 -1.223 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.275 -12.327 -3.813 1.00 0.00 H new ATOM 622 N ILE A 75 -3.541 -10.518 4.125 1.00 0.00 N ATOM 623 CA ILE A 75 -2.611 -10.612 5.254 1.00 0.00 C ATOM 624 C ILE A 75 -3.449 -10.753 6.533 1.00 0.00 C ATOM 625 O ILE A 75 -3.869 -9.746 7.103 1.00 0.00 O ATOM 626 CB ILE A 75 -1.627 -9.417 5.271 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.893 -9.382 3.916 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.628 -9.531 6.443 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.346 -8.488 3.862 1.00 0.00 C ATOM 0 H ILE A 75 -4.115 -9.675 4.146 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.969 -11.489 5.167 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.177 -8.488 5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.598 -10.399 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.594 -9.048 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.050 -8.677 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.174 -9.544 7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.054 -10.452 6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.786 -8.536 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.062 -7.459 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.074 -8.831 4.597 1.00 0.00 H new ATOM 630 N PRO A 76 -3.742 -11.986 6.986 1.00 0.00 N ATOM 631 CA PRO A 76 -4.735 -12.243 8.022 1.00 0.00 C ATOM 632 C PRO A 76 -4.184 -11.957 9.425 1.00 0.00 C ATOM 633 O PRO A 76 -4.074 -12.853 10.258 1.00 0.00 O ATOM 634 CB PRO A 76 -5.135 -13.711 7.825 1.00 0.00 C ATOM 635 CG PRO A 76 -3.842 -14.344 7.316 1.00 0.00 C ATOM 636 CD PRO A 76 -3.275 -13.244 6.418 1.00 0.00 C ATOM 0 HA PRO A 76 -5.599 -11.584 7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.471 -14.168 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.948 -13.817 7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.163 -14.594 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.030 -15.264 6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.186 -13.282 6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.621 -13.361 5.391 1.00 0.00 H new ATOM 637 N GLY A 77 -3.865 -10.692 9.701 1.00 0.00 N ATOM 638 CA GLY A 77 -3.459 -10.235 11.024 1.00 0.00 C ATOM 639 C GLY A 77 -2.820 -8.855 10.927 1.00 0.00 C ATOM 640 O GLY A 77 -1.749 -8.618 11.480 1.00 0.00 O ATOM 0 H GLY A 77 -3.883 -9.950 9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.324 -10.198 11.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.753 -10.941 11.461 1.00 0.00 H new ATOM 641 N THR A 78 -3.488 -7.954 10.204 1.00 0.00 N ATOM 642 CA THR A 78 -3.027 -6.600 9.946 1.00 0.00 C ATOM 643 C THR A 78 -3.835 -5.614 10.786 1.00 0.00 C ATOM 644 O THR A 78 -5.035 -5.794 10.998 1.00 0.00 O ATOM 645 CB THR A 78 -3.104 -6.284 8.441 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.841 -4.921 8.229 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.472 -6.536 7.816 1.00 0.00 C ATOM 0 H THR A 78 -4.389 -8.158 9.772 1.00 0.00 H new ATOM 0 HA THR A 78 -1.981 -6.506 10.237 1.00 0.00 H new ATOM 0 HB THR A 78 -2.373 -6.949 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.574 -4.780 7.296 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.439 -6.288 6.755 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.739 -7.586 7.935 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.218 -5.914 8.311 1.00 0.00 H new ATOM 648 N LYS A 79 -3.174 -4.542 11.230 1.00 0.00 N ATOM 649 CA LYS A 79 -3.814 -3.386 11.838 1.00 0.00 C ATOM 650 C LYS A 79 -4.545 -2.544 10.777 1.00 0.00 C ATOM 651 O LYS A 79 -5.286 -1.626 11.127 1.00 0.00 O ATOM 652 CB LYS A 79 -2.735 -2.589 12.593 1.00 0.00 C ATOM 653 CG LYS A 79 -3.249 -1.267 13.177 1.00 0.00 C ATOM 654 CD LYS A 79 -2.227 -0.691 14.168 1.00 0.00 C ATOM 655 CE LYS A 79 -2.546 0.758 14.569 1.00 0.00 C ATOM 656 NZ LYS A 79 -3.885 0.902 15.179 1.00 0.00 N ATOM 0 H LYS A 79 -2.159 -4.457 11.173 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.581 -3.697 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.338 -3.204 13.401 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.907 -2.380 11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.430 -0.553 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.202 -1.430 13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.202 -1.314 15.062 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.233 -0.731 13.723 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.792 1.110 15.273 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.483 1.396 13.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.040 1.895 15.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.611 0.609 14.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.947 0.303 16.027 1.00 0.00 H new ATOM 657 N ALA A 80 -4.320 -2.819 9.488 1.00 0.00 N ATOM 658 CA ALA A 80 -4.829 -2.022 8.383 1.00 0.00 C ATOM 659 C ALA A 80 -6.359 -2.044 8.304 1.00 0.00 C ATOM 660 O ALA A 80 -6.952 -2.796 7.532 1.00 0.00 O ATOM 661 CB ALA A 80 -4.184 -2.497 7.080 1.00 0.00 C ATOM 0 H ALA A 80 -3.767 -3.620 9.185 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.558 -0.980 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.563 -1.902 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.102 -2.381 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.427 -3.547 6.915 1.00 0.00 H new ATOM 662 N ALA A 81 -7.009 -1.181 9.087 1.00 0.00 N ATOM 663 CA ALA A 81 -8.442 -0.929 9.030 1.00 0.00 C ATOM 664 C ALA A 81 -8.816 -0.143 7.766 1.00 0.00 C ATOM 665 O ALA A 81 -9.387 0.941 7.853 1.00 0.00 O ATOM 666 CB ALA A 81 -8.876 -0.206 10.310 1.00 0.00 C ATOM 0 H ALA A 81 -6.535 -0.624 9.798 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.977 -1.877 8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.948 -0.014 10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.648 -0.829 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.341 0.740 10.393 1.00 0.00 H new ATOM 667 N PHE A 82 -8.501 -0.698 6.593 1.00 0.00 N ATOM 668 CA PHE A 82 -8.901 -0.185 5.291 1.00 0.00 C ATOM 669 C PHE A 82 -9.829 -1.220 4.658 1.00 0.00 C ATOM 670 O PHE A 82 -9.565 -2.418 4.742 1.00 0.00 O ATOM 671 CB PHE A 82 -7.663 0.080 4.423 1.00 0.00 C ATOM 672 CG PHE A 82 -7.967 0.446 2.978 1.00 0.00 C ATOM 673 CD1 PHE A 82 -8.923 1.435 2.675 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.345 -0.258 1.930 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.325 1.646 1.344 1.00 0.00 C ATOM 676 CE2 PHE A 82 -7.747 -0.047 0.600 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.749 0.892 0.307 1.00 0.00 C ATOM 0 H PHE A 82 -7.940 -1.547 6.527 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.426 0.765 5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.086 0.887 4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.032 -0.808 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.349 2.033 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.556 -0.963 2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.077 2.388 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.284 -0.608 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.076 1.034 -0.712 1.00 0.00 H new ATOM 678 N GLY A 83 -10.936 -0.761 4.068 1.00 0.00 N ATOM 679 CA GLY A 83 -11.959 -1.634 3.516 1.00 0.00 C ATOM 680 C GLY A 83 -11.439 -2.431 2.320 1.00 0.00 C ATOM 681 O GLY A 83 -11.591 -3.649 2.278 1.00 0.00 O ATOM 0 H GLY A 83 -11.143 0.232 3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.306 -2.321 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.819 -1.038 3.210 1.00 0.00 H new ATOM 682 N GLY A 84 -10.856 -1.732 1.341 1.00 0.00 N ATOM 683 CA GLY A 84 -10.439 -2.312 0.073 1.00 0.00 C ATOM 684 C GLY A 84 -10.955 -1.471 -1.098 1.00 0.00 C ATOM 685 O GLY A 84 -12.097 -1.007 -1.070 1.00 0.00 O ATOM 0 H GLY A 84 -10.660 -0.734 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.351 -2.371 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.817 -3.331 -0.009 1.00 0.00 H new ATOM 686 N LEU A 85 -10.148 -1.267 -2.146 1.00 0.00 N ATOM 687 CA LEU A 85 -10.579 -0.556 -3.351 1.00 0.00 C ATOM 688 C LEU A 85 -11.488 -1.438 -4.217 1.00 0.00 C ATOM 689 O LEU A 85 -11.138 -1.830 -5.328 1.00 0.00 O ATOM 690 CB LEU A 85 -9.376 -0.012 -4.147 1.00 0.00 C ATOM 691 CG LEU A 85 -8.840 1.363 -3.713 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.883 1.878 -4.794 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.952 2.410 -3.555 1.00 0.00 C ATOM 0 H LEU A 85 -9.181 -1.590 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.167 0.307 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.563 -0.735 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.659 0.047 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.351 1.228 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.494 2.853 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.056 1.178 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.418 1.970 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.516 3.360 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.469 2.539 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.662 2.075 -2.799 1.00 0.00 H new ATOM 694 N LYS A 86 -12.699 -1.695 -3.719 1.00 0.00 N ATOM 695 CA LYS A 86 -13.705 -2.511 -4.391 1.00 0.00 C ATOM 696 C LYS A 86 -14.048 -1.966 -5.789 1.00 0.00 C ATOM 697 O LYS A 86 -14.293 -2.740 -6.710 1.00 0.00 O ATOM 698 CB LYS A 86 -14.951 -2.618 -3.489 1.00 0.00 C ATOM 699 CG LYS A 86 -15.531 -4.039 -3.401 1.00 0.00 C ATOM 700 CD LYS A 86 -16.278 -4.451 -4.680 1.00 0.00 C ATOM 701 CE LYS A 86 -16.863 -5.868 -4.587 1.00 0.00 C ATOM 702 NZ LYS A 86 -15.818 -6.913 -4.635 1.00 0.00 N ATOM 0 H LYS A 86 -13.012 -1.333 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.301 -3.510 -4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.693 -2.278 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.720 -1.944 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.723 -4.746 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.212 -4.098 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.082 -3.741 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.596 -4.398 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.428 -5.965 -3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.566 -6.023 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.262 -7.851 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.295 -6.840 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.161 -6.784 -3.839 1.00 0.00 H new ATOM 703 N LYS A 87 -14.100 -0.637 -5.942 1.00 0.00 N ATOM 704 CA LYS A 87 -14.549 0.019 -7.164 1.00 0.00 C ATOM 705 C LYS A 87 -13.729 -0.376 -8.403 1.00 0.00 C ATOM 706 O LYS A 87 -14.279 -0.435 -9.502 1.00 0.00 O ATOM 707 CB LYS A 87 -14.527 1.538 -6.969 1.00 0.00 C ATOM 708 CG LYS A 87 -15.574 2.042 -5.970 1.00 0.00 C ATOM 709 CD LYS A 87 -15.494 3.563 -5.732 1.00 0.00 C ATOM 710 CE LYS A 87 -15.956 4.428 -6.920 1.00 0.00 C ATOM 711 NZ LYS A 87 -14.855 4.794 -7.834 1.00 0.00 N ATOM 0 H LYS A 87 -13.827 0.016 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.567 -0.320 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.536 1.838 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.692 2.022 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.569 1.789 -6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.442 1.523 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.100 3.813 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.464 3.825 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.720 3.888 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.422 5.337 -6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.238 5.317 -8.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.169 5.392 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.381 3.931 -8.170 1.00 0.00 H new ATOM 712 N GLU A 88 -12.415 -0.580 -8.252 1.00 0.00 N ATOM 713 CA GLU A 88 -11.489 -1.155 -9.232 1.00 0.00 C ATOM 714 C GLU A 88 -11.042 -0.143 -10.302 1.00 0.00 C ATOM 715 O GLU A 88 -9.878 -0.072 -10.715 1.00 0.00 O ATOM 716 CB GLU A 88 -12.105 -2.400 -9.888 1.00 0.00 C ATOM 717 CG GLU A 88 -10.978 -3.310 -10.384 1.00 0.00 C ATOM 718 CD GLU A 88 -11.268 -4.034 -11.686 1.00 0.00 C ATOM 719 OE1 GLU A 88 -12.414 -3.971 -12.175 1.00 0.00 O ATOM 720 OE2 GLU A 88 -10.267 -4.604 -12.172 1.00 0.00 O ATOM 0 H GLU A 88 -11.940 -0.331 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.592 -1.444 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.731 -2.932 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.748 -2.109 -10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.076 -2.711 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.763 -4.050 -9.614 1.00 0.00 H new ATOM 721 N LYS A 89 -12.007 0.644 -10.759 1.00 0.00 N ATOM 722 CA LYS A 89 -11.823 1.687 -11.758 1.00 0.00 C ATOM 723 C LYS A 89 -10.805 2.718 -11.262 1.00 0.00 C ATOM 724 O LYS A 89 -10.041 3.281 -12.038 1.00 0.00 O ATOM 725 CB LYS A 89 -13.176 2.303 -12.093 1.00 0.00 C ATOM 726 CG LYS A 89 -13.891 1.571 -13.245 1.00 0.00 C ATOM 727 CD LYS A 89 -14.145 0.078 -12.956 1.00 0.00 C ATOM 728 CE LYS A 89 -14.702 -0.692 -14.163 1.00 0.00 C ATOM 729 NZ LYS A 89 -16.035 -0.218 -14.586 1.00 0.00 N ATOM 0 H LYS A 89 -12.971 0.571 -10.433 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.416 1.267 -12.678 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.810 2.283 -11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.038 3.350 -12.363 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.844 2.063 -13.443 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.292 1.662 -14.151 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.212 -0.386 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.844 -0.009 -12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.008 -0.599 -14.998 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.761 -1.752 -13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.358 -0.774 -15.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.709 -0.331 -13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.978 0.786 -14.852 1.00 0.00 H new ATOM 730 N ASP A 90 -10.810 2.922 -9.953 1.00 0.00 N ATOM 731 CA ASP A 90 -9.876 3.706 -9.170 1.00 0.00 C ATOM 732 C ASP A 90 -8.543 2.977 -9.051 1.00 0.00 C ATOM 733 O ASP A 90 -7.505 3.510 -9.430 1.00 0.00 O ATOM 734 CB ASP A 90 -10.486 3.922 -7.770 1.00 0.00 C ATOM 735 CG ASP A 90 -11.968 4.277 -7.772 1.00 0.00 C ATOM 736 OD1 ASP A 90 -12.747 3.477 -8.344 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.383 5.296 -7.175 1.00 0.00 O ATOM 0 H ASP A 90 -11.531 2.506 -9.364 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.696 4.665 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.344 3.015 -7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.936 4.717 -7.267 1.00 0.00 H new ATOM 738 N ARG A 91 -8.595 1.764 -8.493 1.00 0.00 N ATOM 739 CA ARG A 91 -7.462 0.871 -8.246 1.00 0.00 C ATOM 740 C ARG A 91 -6.418 0.983 -9.342 1.00 0.00 C ATOM 741 O ARG A 91 -5.263 1.253 -9.051 1.00 0.00 O ATOM 742 CB ARG A 91 -7.948 -0.579 -8.117 1.00 0.00 C ATOM 743 CG ARG A 91 -6.869 -1.611 -7.793 1.00 0.00 C ATOM 744 CD ARG A 91 -7.438 -3.041 -7.789 1.00 0.00 C ATOM 745 NE ARG A 91 -7.952 -3.472 -9.111 1.00 0.00 N ATOM 746 CZ ARG A 91 -7.233 -3.719 -10.224 1.00 0.00 C ATOM 747 NH1 ARG A 91 -5.902 -3.699 -10.169 1.00 0.00 N ATOM 748 NH2 ARG A 91 -7.820 -3.999 -11.392 1.00 0.00 N ATOM 0 H ARG A 91 -9.478 1.357 -8.185 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.994 1.174 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.710 -0.620 -7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.431 -0.866 -9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.065 -1.540 -8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.433 -1.389 -6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.660 -3.733 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.243 -3.102 -7.057 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.962 -3.595 -9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.431 -3.497 -9.287 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.354 -3.885 -11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.837 -4.030 -11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.250 -4.182 -12.218 1.00 0.00 H new ATOM 749 N ASN A 92 -6.802 0.764 -10.595 1.00 0.00 N ATOM 750 CA ASN A 92 -5.824 0.821 -11.678 1.00 0.00 C ATOM 751 C ASN A 92 -5.100 2.174 -11.753 1.00 0.00 C ATOM 752 O ASN A 92 -3.869 2.198 -11.856 1.00 0.00 O ATOM 753 CB ASN A 92 -6.419 0.400 -13.024 1.00 0.00 C ATOM 754 CG ASN A 92 -7.496 1.348 -13.515 1.00 0.00 C ATOM 755 OD1 ASN A 92 -7.237 2.225 -14.331 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.717 1.189 -13.019 1.00 0.00 N ATOM 0 H ASN A 92 -7.757 0.551 -10.883 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.059 0.083 -11.435 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.623 0.346 -13.767 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.838 -0.602 -12.933 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.472 1.807 -13.316 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.900 0.449 -12.341 1.00 0.00 H new ATOM 757 N ASP A 93 -5.830 3.294 -11.661 1.00 0.00 N ATOM 758 CA ASP A 93 -5.197 4.615 -11.666 1.00 0.00 C ATOM 759 C ASP A 93 -4.299 4.758 -10.434 1.00 0.00 C ATOM 760 O ASP A 93 -3.126 5.115 -10.545 1.00 0.00 O ATOM 761 CB ASP A 93 -6.237 5.749 -11.733 1.00 0.00 C ATOM 762 CG ASP A 93 -6.477 6.307 -13.135 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.484 6.581 -13.843 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.666 6.534 -13.462 1.00 0.00 O ATOM 0 H ASP A 93 -6.847 3.310 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.585 4.700 -12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.183 5.381 -11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.912 6.562 -11.083 1.00 0.00 H new ATOM 765 N LEU A 94 -4.845 4.461 -9.250 1.00 0.00 N ATOM 766 CA LEU A 94 -4.110 4.534 -7.993 1.00 0.00 C ATOM 767 C LEU A 94 -2.798 3.750 -8.085 1.00 0.00 C ATOM 768 O LEU A 94 -1.730 4.308 -7.840 1.00 0.00 O ATOM 769 CB LEU A 94 -4.991 4.075 -6.817 1.00 0.00 C ATOM 770 CG LEU A 94 -4.216 4.028 -5.489 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.455 5.322 -5.171 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.109 3.760 -4.290 1.00 0.00 C ATOM 0 H LEU A 94 -5.814 4.162 -9.141 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.845 5.574 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.839 4.752 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.396 3.086 -7.034 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.515 3.208 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.933 5.213 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.731 5.522 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.159 6.151 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.504 3.739 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.856 4.549 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.608 2.799 -4.416 1.00 0.00 H new ATOM 773 N ILE A 95 -2.859 2.468 -8.451 1.00 0.00 N ATOM 774 CA ILE A 95 -1.680 1.640 -8.614 1.00 0.00 C ATOM 775 C ILE A 95 -0.703 2.308 -9.579 1.00 0.00 C ATOM 776 O ILE A 95 0.477 2.404 -9.259 1.00 0.00 O ATOM 777 CB ILE A 95 -2.054 0.223 -9.078 1.00 0.00 C ATOM 778 CG1 ILE A 95 -2.871 -0.523 -8.003 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.749 -0.531 -9.384 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.516 -1.775 -8.593 1.00 0.00 C ATOM 0 H ILE A 95 -3.735 1.981 -8.641 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.189 1.538 -7.646 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.680 0.281 -9.968 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.222 -0.799 -7.171 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.642 0.135 -7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.983 -1.542 -9.716 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.202 -0.008 -10.169 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.136 -0.577 -8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.088 -2.288 -7.820 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.181 -1.492 -9.409 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.740 -2.440 -8.972 1.00 0.00 H new ATOM 781 N THR A 96 -1.174 2.769 -10.743 1.00 0.00 N ATOM 782 CA THR A 96 -0.297 3.437 -11.697 1.00 0.00 C ATOM 783 C THR A 96 0.449 4.598 -11.035 1.00 0.00 C ATOM 784 O THR A 96 1.674 4.693 -11.143 1.00 0.00 O ATOM 785 CB THR A 96 -1.083 3.906 -12.926 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.733 2.794 -13.508 1.00 0.00 O ATOM 787 CG2 THR A 96 -0.126 4.530 -13.947 1.00 0.00 C ATOM 0 H THR A 96 -2.147 2.691 -11.040 1.00 0.00 H new ATOM 0 HA THR A 96 0.448 2.717 -12.035 1.00 0.00 H new ATOM 0 HB THR A 96 -1.820 4.651 -12.626 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.529 2.569 -12.983 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.690 4.862 -14.819 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.381 5.383 -13.496 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.613 3.789 -14.253 1.00 0.00 H new ATOM 788 N TYR A 97 -0.280 5.474 -10.337 1.00 0.00 N ATOM 789 CA TYR A 97 0.354 6.561 -9.614 1.00 0.00 C ATOM 790 C TYR A 97 1.395 6.003 -8.648 1.00 0.00 C ATOM 791 O TYR A 97 2.540 6.437 -8.678 1.00 0.00 O ATOM 792 CB TYR A 97 -0.677 7.407 -8.857 1.00 0.00 C ATOM 793 CG TYR A 97 -0.100 8.199 -7.694 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.696 9.335 -7.928 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.239 7.711 -6.381 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.235 10.054 -6.845 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.368 8.384 -5.308 1.00 0.00 C ATOM 798 CZ TYR A 97 1.059 9.584 -5.533 1.00 0.00 C ATOM 799 OH TYR A 97 1.495 10.328 -4.477 1.00 0.00 O ATOM 0 H TYR A 97 -1.297 5.446 -10.262 1.00 0.00 H new ATOM 0 HA TYR A 97 0.846 7.210 -10.338 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.146 8.099 -9.556 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.463 6.752 -8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.894 9.656 -8.940 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.815 6.816 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.784 10.967 -7.023 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.303 7.978 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 97 1.294 9.858 -3.641 1.00 0.00 H new ATOM 800 N LEU A 98 0.995 5.071 -7.780 1.00 0.00 N ATOM 801 CA LEU A 98 1.838 4.579 -6.695 1.00 0.00 C ATOM 802 C LEU A 98 3.137 3.999 -7.247 1.00 0.00 C ATOM 803 O LEU A 98 4.237 4.304 -6.786 1.00 0.00 O ATOM 804 CB LEU A 98 1.078 3.517 -5.878 1.00 0.00 C ATOM 805 CG LEU A 98 1.147 3.790 -4.362 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.261 4.006 -3.823 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.777 2.629 -3.597 1.00 0.00 C ATOM 0 H LEU A 98 0.073 4.636 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 98 2.088 5.414 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.035 3.495 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.496 2.532 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 98 1.766 4.676 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.215 4.199 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.716 4.859 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.861 3.115 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.804 2.866 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.185 1.727 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.792 2.463 -3.958 1.00 0.00 H new ATOM 808 N LYS A 99 2.977 3.161 -8.267 1.00 0.00 N ATOM 809 CA LYS A 99 4.048 2.570 -9.028 1.00 0.00 C ATOM 810 C LYS A 99 5.029 3.633 -9.502 1.00 0.00 C ATOM 811 O LYS A 99 6.232 3.440 -9.344 1.00 0.00 O ATOM 812 CB LYS A 99 3.438 1.758 -10.168 1.00 0.00 C ATOM 813 CG LYS A 99 4.513 1.134 -11.055 1.00 0.00 C ATOM 814 CD LYS A 99 3.900 -0.110 -11.708 1.00 0.00 C ATOM 815 CE LYS A 99 4.781 -0.715 -12.811 1.00 0.00 C ATOM 816 NZ LYS A 99 3.978 -1.035 -14.008 1.00 0.00 N ATOM 0 H LYS A 99 2.055 2.870 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 99 4.633 1.893 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.804 0.972 -9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.797 2.401 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.844 1.843 -11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.390 0.866 -10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.722 -0.864 -10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.930 0.151 -12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.573 -0.014 -13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.266 -1.618 -12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.508 -1.691 -14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.084 -1.479 -13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.776 -0.161 -14.534 1.00 0.00 H new ATOM 817 N LYS A 100 4.554 4.756 -10.049 1.00 0.00 N ATOM 818 CA LYS A 100 5.473 5.825 -10.380 1.00 0.00 C ATOM 819 C LYS A 100 6.064 6.362 -9.076 1.00 0.00 C ATOM 820 O LYS A 100 7.272 6.354 -8.911 1.00 0.00 O ATOM 821 CB LYS A 100 4.776 6.901 -11.234 1.00 0.00 C ATOM 822 CG LYS A 100 5.612 7.349 -12.456 1.00 0.00 C ATOM 823 CD LYS A 100 6.675 8.457 -12.247 1.00 0.00 C ATOM 824 CE LYS A 100 7.594 8.179 -11.053 1.00 0.00 C ATOM 825 NZ LYS A 100 8.865 8.926 -11.008 1.00 0.00 N ATOM 0 H LYS A 100 3.573 4.937 -10.262 1.00 0.00 H new ATOM 0 HA LYS A 100 6.294 5.460 -10.997 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.817 6.515 -11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.564 7.769 -10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.120 6.470 -12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.920 7.692 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.278 8.551 -13.150 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.173 9.413 -12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.040 8.395 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.825 7.114 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.156 9.057 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.599 8.393 -11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.738 9.855 -11.457 1.00 0.00 H new ATOM 826 N ALA A 101 5.224 6.819 -8.150 1.00 0.00 N ATOM 827 CA ALA A 101 5.598 7.510 -6.921 1.00 0.00 C ATOM 828 C ALA A 101 6.676 6.789 -6.105 1.00 0.00 C ATOM 829 O ALA A 101 7.388 7.424 -5.333 1.00 0.00 O ATOM 830 CB ALA A 101 4.344 7.735 -6.075 1.00 0.00 C ATOM 0 H ALA A 101 4.214 6.711 -8.242 1.00 0.00 H new ATOM 0 HA ALA A 101 6.043 8.462 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.614 8.251 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.631 8.341 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.891 6.774 -5.833 1.00 0.00 H new ATOM 831 N SER A 102 6.789 5.467 -6.256 1.00 0.00 N ATOM 832 CA SER A 102 7.872 4.704 -5.647 1.00 0.00 C ATOM 833 C SER A 102 9.275 5.200 -6.051 1.00 0.00 C ATOM 834 O SER A 102 10.213 4.998 -5.279 1.00 0.00 O ATOM 835 CB SER A 102 7.674 3.207 -5.913 1.00 0.00 C ATOM 836 OG SER A 102 7.886 2.850 -7.263 1.00 0.00 O ATOM 0 H SER A 102 6.136 4.903 -6.800 1.00 0.00 H new ATOM 0 HA SER A 102 7.824 4.870 -4.571 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.357 2.639 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.662 2.924 -5.623 1.00 0.00 H new ATOM 0 HG SER A 102 7.143 3.181 -7.809 1.00 0.00 H new ATOM 837 N GLU A 103 9.392 5.809 -7.239 1.00 0.00 N ATOM 838 CA GLU A 103 10.542 6.459 -7.850 1.00 0.00 C ATOM 839 C GLU A 103 10.392 7.985 -7.710 1.00 0.00 C ATOM 840 O GLU A 103 9.585 8.561 -8.483 1.00 0.00 O ATOM 841 CB GLU A 103 10.555 6.042 -9.335 1.00 0.00 C ATOM 842 CG GLU A 103 11.684 6.630 -10.191 1.00 0.00 C ATOM 843 CD GLU A 103 11.359 6.522 -11.677 1.00 0.00 C ATOM 844 OE1 GLU A 103 10.654 7.438 -12.163 1.00 0.00 O ATOM 845 OE2 GLU A 103 11.786 5.524 -12.292 1.00 0.00 O ATOM 846 OXT GLU A 103 11.108 8.566 -6.865 1.00 0.00 O ATOM 0 H GLU A 103 8.585 5.859 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 103 11.476 6.168 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.617 4.955 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.602 6.328 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.840 7.675 -9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.616 6.105 -9.980 1.00 0.00 H new