USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 776 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 67 TYR OH : rot 180:sc= 0.383 USER MOD Set 1.2: A 78 THR OG1 : rot 161:sc= 0.745 USER MOD Set 2.1: A 63 ASN :FLIP amide:sc= 1.13 F(o=-0.04,f=2) USER MOD Set 2.2: A 74 TYR OH : rot -15:sc= 0.835 USER MOD Set 3.1: A 1 GLY N :NH3+ -176:sc= 0.322 (180deg=0) USER MOD Set 3.2: A 96 THR OG1 : rot 76:sc= 1.5 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -124:sc= 0.776 (180deg=-1.45!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= -0.389 (180deg=-0.796) USER MOD Single : A 12 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 14 CYS SG : rot -150:sc= -0.0705 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -0.814 X(o=-0.81,f=-0.57) USER MOD Single : A 19 THR OG1 : rot -125:sc= 0.955 USER MOD Single : A 26 HIS : no HD1:sc= -0.445 X(o=-0.45,f=-0.58) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.105 K(o=0.11,f=-7.4!) USER MOD Single : A 33 HIS : no HE2:sc= 0.235 K(o=0.23,f=-1.2) USER MOD Single : A 39 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=-0.21) USER MOD Single : A 40 SER OG : rot 102:sc= 2.1 USER MOD Single : A 42 GLN : amide:sc= 0.744 K(o=0.74,f=-4.6!) USER MOD Single : A 46 TYR OH : rot 148:sc= 1.26 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -110:sc= 0.204 USER MOD Single : A 52 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.406! (180deg=-0.567) USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= 1.08 (180deg=-1.19) USER MOD Single : A 56 ASN : amide:sc= 0.629 K(o=0.63,f=-0.082) USER MOD Single : A 62 ASN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 64 MET CE :methyl 166:sc= -0.293 (180deg=-0.968) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 69 THR OG1 : rot 67:sc= 1.26 USER MOD Single : A 70 ASN : amide:sc= 0.0734 K(o=0.073,f=-4.9!) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 0.937 (180deg=0.758) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 1.03 (180deg=0.91) USER MOD Single : A 79 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.56) USER MOD Single : A 80 MET CE :methyl 166:sc= -0.0526 (180deg=-0.221) USER MOD Single : A 86 LYS NZ :NH3+ 143:sc= 1.23 (180deg=-0.526) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.75) USER MOD Single : A 97 TYR OH : rot 151:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= 1.56 (180deg=1.02) USER MOD Single : A 100 LYS NZ :NH3+ -151:sc= 0.303! (180deg=-0.397!) USER MOD Single : A 102 THR OG1 : rot -29:sc= -0.175 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.365 -8.888 0.383 1.00 0.00 N ATOM 85 CA GLY A 1 -14.075 -8.049 -0.585 1.00 0.00 C ATOM 86 C GLY A 1 -14.021 -8.672 -1.983 1.00 0.00 C ATOM 87 O GLY A 1 -14.091 -9.891 -2.123 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.471 -8.484 1.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.763 -9.849 0.368 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.356 -8.928 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.113 -7.927 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.630 -7.054 -0.607 1.00 0.00 H new ATOM 91 N SER A 2 -13.893 -7.864 -3.038 1.00 0.00 N ATOM 92 CA SER A 2 -13.674 -8.386 -4.400 1.00 0.00 C ATOM 93 C SER A 2 -12.566 -7.650 -5.136 1.00 0.00 C ATOM 94 O SER A 2 -12.518 -6.421 -5.124 1.00 0.00 O ATOM 95 CB SER A 2 -14.957 -8.316 -5.224 1.00 0.00 C ATOM 96 OG SER A 2 -14.705 -8.741 -6.554 1.00 0.00 O ATOM 0 H SER A 2 -13.936 -6.846 -2.981 1.00 0.00 H new ATOM 0 HA SER A 2 -13.368 -9.425 -4.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.724 -8.945 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.342 -7.296 -5.226 1.00 0.00 H new ATOM 0 HG SER A 2 -15.534 -8.694 -7.075 1.00 0.00 H new ATOM 102 N ALA A 3 -11.734 -8.389 -5.876 1.00 0.00 N ATOM 103 CA ALA A 3 -10.673 -7.806 -6.692 1.00 0.00 C ATOM 104 C ALA A 3 -11.191 -6.732 -7.666 1.00 0.00 C ATOM 105 O ALA A 3 -10.500 -5.747 -7.906 1.00 0.00 O ATOM 106 CB ALA A 3 -9.923 -8.927 -7.420 1.00 0.00 C ATOM 0 H ALA A 3 -11.780 -9.407 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.981 -7.284 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.129 -8.497 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.489 -9.609 -6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.617 -9.474 -8.059 1.00 0.00 H new ATOM 112 N LYS A 4 -12.427 -6.863 -8.180 1.00 0.00 N ATOM 113 CA LYS A 4 -13.040 -5.864 -9.076 1.00 0.00 C ATOM 114 C LYS A 4 -13.763 -4.704 -8.379 1.00 0.00 C ATOM 115 O LYS A 4 -14.030 -3.699 -9.029 1.00 0.00 O ATOM 116 CB LYS A 4 -13.931 -6.560 -10.126 1.00 0.00 C ATOM 117 CG LYS A 4 -13.811 -5.908 -11.517 1.00 0.00 C ATOM 118 CD LYS A 4 -12.489 -6.274 -12.221 1.00 0.00 C ATOM 119 CE LYS A 4 -12.259 -5.479 -13.516 1.00 0.00 C ATOM 120 NZ LYS A 4 -13.292 -5.753 -14.547 1.00 0.00 N ATOM 0 H LYS A 4 -13.029 -7.663 -7.987 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.206 -5.374 -9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.654 -7.612 -10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.970 -6.525 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.650 -6.223 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.879 -4.825 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.658 -6.094 -11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.489 -7.340 -12.450 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.253 -4.413 -13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.276 -5.724 -13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.090 -5.192 -15.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.282 -6.765 -14.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.229 -5.495 -14.177 1.00 0.00 H new ATOM 134 N LYS A 5 -14.026 -4.818 -7.075 1.00 0.00 N ATOM 135 CA LYS A 5 -14.494 -3.725 -6.196 1.00 0.00 C ATOM 136 C LYS A 5 -13.299 -2.913 -5.692 1.00 0.00 C ATOM 137 O LYS A 5 -13.247 -1.707 -5.899 1.00 0.00 O ATOM 138 CB LYS A 5 -15.347 -4.283 -5.038 1.00 0.00 C ATOM 139 CG LYS A 5 -16.727 -4.740 -5.547 1.00 0.00 C ATOM 140 CD LYS A 5 -17.559 -5.585 -4.565 1.00 0.00 C ATOM 141 CE LYS A 5 -18.170 -4.837 -3.374 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.243 -4.759 -2.222 1.00 0.00 N ATOM 0 H LYS A 5 -13.918 -5.702 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.135 -3.054 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.831 -5.122 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.472 -3.519 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.305 -3.856 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.583 -5.316 -6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.367 -6.060 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.925 -6.384 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.446 -3.829 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.088 -5.338 -3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.701 -5.163 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.377 -5.294 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.999 -3.765 -2.039 1.00 0.00 H new ATOM 156 N GLY A 6 -12.280 -3.590 -5.161 1.00 0.00 N ATOM 157 CA GLY A 6 -10.976 -2.993 -4.874 1.00 0.00 C ATOM 158 C GLY A 6 -10.310 -2.333 -6.086 1.00 0.00 C ATOM 159 O GLY A 6 -9.574 -1.370 -5.909 1.00 0.00 O ATOM 0 H GLY A 6 -12.338 -4.578 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.095 -2.248 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.313 -3.765 -4.484 1.00 0.00 H new ATOM 163 N ALA A 7 -10.582 -2.794 -7.311 1.00 0.00 N ATOM 164 CA ALA A 7 -10.044 -2.188 -8.530 1.00 0.00 C ATOM 165 C ALA A 7 -10.484 -0.724 -8.695 1.00 0.00 C ATOM 166 O ALA A 7 -9.637 0.152 -8.856 1.00 0.00 O ATOM 167 CB ALA A 7 -10.433 -3.024 -9.757 1.00 0.00 C ATOM 0 H ALA A 7 -11.183 -3.600 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.958 -2.180 -8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.026 -2.561 -10.656 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.030 -4.032 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.519 -3.073 -9.834 1.00 0.00 H new ATOM 173 N THR A 8 -11.790 -0.433 -8.669 1.00 0.00 N ATOM 174 CA THR A 8 -12.289 0.947 -8.820 1.00 0.00 C ATOM 175 C THR A 8 -11.830 1.848 -7.674 1.00 0.00 C ATOM 176 O THR A 8 -11.562 3.029 -7.902 1.00 0.00 O ATOM 177 CB THR A 8 -13.820 0.992 -8.926 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.393 0.240 -7.886 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.318 0.384 -10.237 1.00 0.00 C ATOM 0 H THR A 8 -12.523 -1.131 -8.545 1.00 0.00 H new ATOM 0 HA THR A 8 -11.863 1.323 -9.750 1.00 0.00 H new ATOM 0 HB THR A 8 -14.108 2.042 -8.873 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.370 0.274 -7.958 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.406 0.436 -10.272 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.901 0.939 -11.077 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.002 -0.657 -10.298 1.00 0.00 H new ATOM 187 N LEU A 9 -11.661 1.286 -6.472 1.00 0.00 N ATOM 188 CA LEU A 9 -11.148 1.977 -5.293 1.00 0.00 C ATOM 189 C LEU A 9 -9.674 2.315 -5.488 1.00 0.00 C ATOM 190 O LEU A 9 -9.317 3.479 -5.588 1.00 0.00 O ATOM 191 CB LEU A 9 -11.355 1.139 -4.023 1.00 0.00 C ATOM 192 CG LEU A 9 -12.814 1.149 -3.561 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.056 0.018 -2.561 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.189 2.471 -2.884 1.00 0.00 C ATOM 0 H LEU A 9 -11.886 0.308 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.707 2.904 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.041 0.112 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.720 1.525 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.430 1.018 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.097 0.034 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.837 -0.939 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.406 0.152 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.233 2.436 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.554 2.626 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.048 3.292 -3.586 1.00 0.00 H new ATOM 206 N PHE A 10 -8.807 1.316 -5.630 1.00 0.00 N ATOM 207 CA PHE A 10 -7.370 1.514 -5.850 1.00 0.00 C ATOM 208 C PHE A 10 -7.083 2.490 -6.999 1.00 0.00 C ATOM 209 O PHE A 10 -6.223 3.370 -6.878 1.00 0.00 O ATOM 210 CB PHE A 10 -6.689 0.166 -6.120 1.00 0.00 C ATOM 211 CG PHE A 10 -5.228 0.323 -6.497 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.865 0.506 -7.846 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.234 0.351 -5.503 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.525 0.742 -8.191 1.00 0.00 C ATOM 215 CE2 PHE A 10 -2.897 0.610 -5.849 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.540 0.816 -7.191 1.00 0.00 C ATOM 0 H PHE A 10 -9.081 0.334 -5.596 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.961 1.957 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.767 -0.462 -5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.215 -0.350 -6.923 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.620 0.465 -8.617 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.499 0.173 -4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.250 0.867 -9.228 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.141 0.651 -5.079 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.514 1.030 -7.454 1.00 0.00 H new ATOM 226 N LYS A 11 -7.810 2.357 -8.118 1.00 0.00 N ATOM 227 CA LYS A 11 -7.565 3.161 -9.331 1.00 0.00 C ATOM 228 C LYS A 11 -8.036 4.625 -9.208 1.00 0.00 C ATOM 229 O LYS A 11 -7.674 5.440 -10.049 1.00 0.00 O ATOM 230 CB LYS A 11 -8.109 2.400 -10.560 1.00 0.00 C ATOM 231 CG LYS A 11 -7.376 2.732 -11.877 1.00 0.00 C ATOM 232 CD LYS A 11 -7.387 1.543 -12.860 1.00 0.00 C ATOM 233 CE LYS A 11 -6.604 1.783 -14.166 1.00 0.00 C ATOM 234 NZ LYS A 11 -5.127 1.700 -14.008 1.00 0.00 N ATOM 0 H LYS A 11 -8.580 1.695 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.490 3.277 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.034 1.329 -10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.168 2.629 -10.677 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.848 3.595 -12.347 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.346 3.012 -11.658 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.971 0.669 -12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.421 1.305 -13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.922 1.051 -14.908 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.863 2.767 -14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.679 2.495 -14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.883 1.744 -12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.785 0.803 -14.408 1.00 0.00 H new ATOM 248 N THR A 12 -8.757 4.964 -8.129 1.00 0.00 N ATOM 249 CA THR A 12 -9.193 6.328 -7.758 1.00 0.00 C ATOM 250 C THR A 12 -8.736 6.806 -6.374 1.00 0.00 C ATOM 251 O THR A 12 -8.920 7.980 -6.064 1.00 0.00 O ATOM 252 CB THR A 12 -10.721 6.472 -7.866 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.373 5.586 -6.983 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.251 6.212 -9.278 1.00 0.00 C ATOM 0 H THR A 12 -9.069 4.264 -7.456 1.00 0.00 H new ATOM 0 HA THR A 12 -8.694 6.972 -8.482 1.00 0.00 H new ATOM 0 HB THR A 12 -10.935 7.508 -7.603 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.474 4.711 -7.413 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.335 6.329 -9.287 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.803 6.924 -9.972 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.993 5.198 -9.582 1.00 0.00 H new ATOM 262 N ARG A 13 -8.109 5.950 -5.554 1.00 0.00 N ATOM 263 CA ARG A 13 -7.667 6.260 -4.181 1.00 0.00 C ATOM 264 C ARG A 13 -6.152 6.160 -3.963 1.00 0.00 C ATOM 265 O ARG A 13 -5.630 6.825 -3.073 1.00 0.00 O ATOM 266 CB ARG A 13 -8.353 5.315 -3.173 1.00 0.00 C ATOM 267 CG ARG A 13 -9.893 5.269 -3.161 1.00 0.00 C ATOM 268 CD ARG A 13 -10.581 6.337 -2.301 1.00 0.00 C ATOM 269 NE ARG A 13 -11.920 5.858 -1.889 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.297 5.498 -0.671 1.00 0.00 C ATOM 271 NH1 ARG A 13 -11.700 5.902 0.412 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.276 4.662 -0.505 1.00 0.00 N ATOM 0 H ARG A 13 -7.888 4.994 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.952 7.300 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.990 4.305 -3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.019 5.593 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.250 5.368 -4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.207 4.287 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.975 6.555 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.673 7.266 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.628 5.799 -2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.898 6.529 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.034 5.592 1.324 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.761 4.277 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.560 4.390 0.436 1.00 0.00 H new ATOM 286 N CYS A 14 -5.449 5.322 -4.734 1.00 0.00 N ATOM 287 CA CYS A 14 -4.046 4.955 -4.489 1.00 0.00 C ATOM 288 C CYS A 14 -3.166 5.197 -5.718 1.00 0.00 C ATOM 289 O CYS A 14 -2.059 5.726 -5.588 1.00 0.00 O ATOM 290 CB CYS A 14 -3.942 3.476 -4.100 1.00 0.00 C ATOM 291 SG CYS A 14 -5.035 2.849 -2.786 1.00 0.00 S ATOM 0 H CYS A 14 -5.844 4.872 -5.560 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.692 5.588 -3.676 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.126 2.883 -4.996 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.913 3.284 -3.796 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.447 1.872 -2.162 1.00 0.00 H new ATOM 296 N LEU A 15 -3.658 4.868 -6.925 1.00 0.00 N ATOM 297 CA LEU A 15 -2.936 5.061 -8.191 1.00 0.00 C ATOM 298 C LEU A 15 -2.593 6.538 -8.490 1.00 0.00 C ATOM 299 O LEU A 15 -1.669 6.821 -9.244 1.00 0.00 O ATOM 300 CB LEU A 15 -3.719 4.394 -9.343 1.00 0.00 C ATOM 301 CG LEU A 15 -2.910 4.278 -10.654 1.00 0.00 C ATOM 302 CD1 LEU A 15 -1.808 3.219 -10.599 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.799 3.873 -11.828 1.00 0.00 C ATOM 0 H LEU A 15 -4.582 4.455 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.967 4.571 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.032 3.398 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.626 4.968 -9.535 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.477 5.270 -10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.281 3.192 -11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.105 3.466 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.251 2.243 -10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.196 3.801 -12.733 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.258 2.906 -11.620 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.578 4.622 -11.970 1.00 0.00 H new ATOM 315 N GLN A 16 -3.271 7.489 -7.837 1.00 0.00 N ATOM 316 CA GLN A 16 -2.894 8.909 -7.823 1.00 0.00 C ATOM 317 C GLN A 16 -1.460 9.181 -7.317 1.00 0.00 C ATOM 318 O GLN A 16 -0.904 10.238 -7.607 1.00 0.00 O ATOM 319 CB GLN A 16 -3.924 9.710 -7.007 1.00 0.00 C ATOM 320 CG GLN A 16 -4.039 9.272 -5.536 1.00 0.00 C ATOM 321 CD GLN A 16 -4.901 10.240 -4.735 1.00 0.00 C ATOM 322 OE1 GLN A 16 -6.117 10.191 -4.716 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.310 11.173 -4.028 1.00 0.00 N ATOM 0 H GLN A 16 -4.111 7.291 -7.294 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.897 9.240 -8.862 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.656 10.766 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.901 9.614 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.469 8.272 -5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.045 9.215 -5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.292 11.241 -4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.868 11.831 -3.483 1.00 0.00 H new ATOM 332 N CYS A 17 -0.855 8.241 -6.582 1.00 0.00 N ATOM 333 CA CYS A 17 0.503 8.344 -6.046 1.00 0.00 C ATOM 334 C CYS A 17 1.383 7.144 -6.397 1.00 0.00 C ATOM 335 O CYS A 17 2.553 7.329 -6.729 1.00 0.00 O ATOM 336 CB CYS A 17 0.459 8.487 -4.525 1.00 0.00 C ATOM 337 SG CYS A 17 -0.140 10.084 -3.892 1.00 0.00 S ATOM 0 H CYS A 17 -1.312 7.362 -6.338 1.00 0.00 H new ATOM 0 HA CYS A 17 0.945 9.227 -6.509 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.177 7.698 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.462 8.317 -4.135 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.128 10.068 -2.592 1.00 0.00 H new ATOM 342 N HIS A 18 0.848 5.923 -6.317 1.00 0.00 N ATOM 343 CA HIS A 18 1.567 4.672 -6.594 1.00 0.00 C ATOM 344 C HIS A 18 1.434 4.204 -8.045 1.00 0.00 C ATOM 345 O HIS A 18 0.616 4.702 -8.811 1.00 0.00 O ATOM 346 CB HIS A 18 1.016 3.583 -5.659 1.00 0.00 C ATOM 347 CG HIS A 18 1.584 3.701 -4.281 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.831 3.272 -3.890 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.983 4.304 -3.212 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.974 3.611 -2.601 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.875 4.243 -2.147 1.00 0.00 N ATOM 0 H HIS A 18 -0.125 5.771 -6.050 1.00 0.00 H new ATOM 0 HA HIS A 18 2.627 4.857 -6.422 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.070 3.658 -5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.251 2.600 -6.067 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.516 2.788 -4.470 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.002 4.746 -3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.852 3.405 -2.007 1.00 0.00 H new ATOM 359 N THR A 19 2.173 3.152 -8.386 1.00 0.00 N ATOM 360 CA THR A 19 1.805 2.200 -9.442 1.00 0.00 C ATOM 361 C THR A 19 1.677 0.793 -8.845 1.00 0.00 C ATOM 362 O THR A 19 1.925 0.592 -7.657 1.00 0.00 O ATOM 363 CB THR A 19 2.758 2.276 -10.639 1.00 0.00 C ATOM 364 OG1 THR A 19 4.092 2.087 -10.253 1.00 0.00 O ATOM 365 CG2 THR A 19 2.670 3.624 -11.355 1.00 0.00 C ATOM 0 H THR A 19 3.059 2.929 -7.932 1.00 0.00 H new ATOM 0 HA THR A 19 0.830 2.471 -9.846 1.00 0.00 H new ATOM 0 HB THR A 19 2.446 1.478 -11.313 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.633 2.841 -10.568 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.362 3.635 -12.197 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.654 3.777 -11.718 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.931 4.423 -10.661 1.00 0.00 H new ATOM 373 N VAL A 20 1.223 -0.176 -9.635 1.00 0.00 N ATOM 374 CA VAL A 20 1.105 -1.593 -9.237 1.00 0.00 C ATOM 375 C VAL A 20 1.213 -2.503 -10.460 1.00 0.00 C ATOM 376 O VAL A 20 1.768 -3.593 -10.392 1.00 0.00 O ATOM 377 CB VAL A 20 -0.192 -1.850 -8.436 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.473 -1.755 -9.272 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.165 -3.212 -7.739 1.00 0.00 C ATOM 0 H VAL A 20 0.918 -0.004 -10.593 1.00 0.00 H new ATOM 0 HA VAL A 20 1.935 -1.832 -8.572 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.217 -1.048 -7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.337 -1.948 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.554 -0.756 -9.701 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.440 -2.493 -10.074 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.093 -3.356 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.060 -4.000 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.678 -3.251 -7.049 1.00 0.00 H new ATOM 389 N GLU A 21 0.688 -2.048 -11.600 1.00 0.00 N ATOM 390 CA GLU A 21 0.691 -2.783 -12.862 1.00 0.00 C ATOM 391 C GLU A 21 2.113 -2.890 -13.440 1.00 0.00 C ATOM 392 O GLU A 21 3.020 -2.112 -13.117 1.00 0.00 O ATOM 393 CB GLU A 21 -0.276 -2.129 -13.860 1.00 0.00 C ATOM 394 CG GLU A 21 -1.678 -1.872 -13.261 1.00 0.00 C ATOM 395 CD GLU A 21 -2.573 -1.006 -14.152 1.00 0.00 C ATOM 396 OE1 GLU A 21 -2.573 -1.195 -15.384 1.00 0.00 O ATOM 397 OE2 GLU A 21 -3.282 -0.133 -13.589 1.00 0.00 O ATOM 0 H GLU A 21 0.238 -1.135 -11.670 1.00 0.00 H new ATOM 0 HA GLU A 21 0.345 -3.799 -12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.146 -1.184 -14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.373 -2.769 -14.737 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.170 -2.828 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.567 -1.388 -12.291 1.00 0.00 H new ATOM 440 N PRO A 25 6.004 3.094 -13.612 1.00 0.00 N ATOM 441 CA PRO A 25 7.211 3.640 -12.993 1.00 0.00 C ATOM 442 C PRO A 25 6.992 4.043 -11.526 1.00 0.00 C ATOM 443 O PRO A 25 5.863 4.126 -11.035 1.00 0.00 O ATOM 444 CB PRO A 25 7.587 4.845 -13.864 1.00 0.00 C ATOM 445 CG PRO A 25 6.236 5.331 -14.387 1.00 0.00 C ATOM 446 CD PRO A 25 5.469 4.026 -14.594 1.00 0.00 C ATOM 0 HA PRO A 25 8.007 2.897 -12.952 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.097 5.616 -13.286 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.256 4.562 -14.677 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.737 5.986 -13.673 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.339 5.892 -15.316 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.399 4.174 -14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.606 3.648 -15.607 1.00 0.00 H new ATOM 454 N HIS A 26 8.088 4.351 -10.832 1.00 0.00 N ATOM 455 CA HIS A 26 8.094 5.053 -9.545 1.00 0.00 C ATOM 456 C HIS A 26 7.447 6.445 -9.677 1.00 0.00 C ATOM 457 O HIS A 26 7.879 7.257 -10.496 1.00 0.00 O ATOM 458 CB HIS A 26 9.545 5.149 -9.032 1.00 0.00 C ATOM 459 CG HIS A 26 10.206 3.807 -8.785 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.561 2.592 -8.676 1.00 0.00 N ATOM 461 CD2 HIS A 26 11.527 3.594 -8.477 1.00 0.00 C ATOM 462 CE1 HIS A 26 10.472 1.668 -8.325 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.681 2.230 -8.213 1.00 0.00 N ATOM 0 H HIS A 26 9.025 4.113 -11.158 1.00 0.00 H new ATOM 0 HA HIS A 26 7.501 4.494 -8.821 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.139 5.706 -9.757 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.554 5.722 -8.105 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.304 4.343 -8.445 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.259 0.623 -8.158 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.552 1.753 -7.979 1.00 0.00 H new ATOM 471 N LYS A 27 6.393 6.709 -8.898 1.00 0.00 N ATOM 472 CA LYS A 27 5.680 7.990 -8.792 1.00 0.00 C ATOM 473 C LYS A 27 5.801 8.536 -7.358 1.00 0.00 C ATOM 474 O LYS A 27 6.842 8.345 -6.736 1.00 0.00 O ATOM 475 CB LYS A 27 4.256 7.763 -9.352 1.00 0.00 C ATOM 476 CG LYS A 27 4.186 7.975 -10.873 1.00 0.00 C ATOM 477 CD LYS A 27 4.200 9.473 -11.217 1.00 0.00 C ATOM 478 CE LYS A 27 4.124 9.700 -12.729 1.00 0.00 C ATOM 479 NZ LYS A 27 4.072 11.150 -13.037 1.00 0.00 N ATOM 0 H LYS A 27 5.991 5.996 -8.290 1.00 0.00 H new ATOM 0 HA LYS A 27 6.111 8.791 -9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.931 6.750 -9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.562 8.444 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.030 7.479 -11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.280 7.515 -11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.359 9.967 -10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.109 9.930 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.991 9.251 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.241 9.205 -13.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.021 11.284 -14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.232 11.570 -12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.927 11.614 -12.669 1.00 0.00 H new ATOM 493 N VAL A 28 4.792 9.231 -6.827 1.00 0.00 N ATOM 494 CA VAL A 28 4.753 9.754 -5.441 1.00 0.00 C ATOM 495 C VAL A 28 4.850 8.640 -4.379 1.00 0.00 C ATOM 496 O VAL A 28 5.273 8.899 -3.261 1.00 0.00 O ATOM 497 CB VAL A 28 3.497 10.618 -5.202 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.594 11.468 -3.929 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.221 11.585 -6.363 1.00 0.00 C ATOM 0 H VAL A 28 3.951 9.457 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 28 5.637 10.382 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 28 2.688 9.894 -5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.683 12.054 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.719 10.816 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.450 12.139 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.327 12.169 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.071 12.255 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.069 11.017 -7.281 1.00 0.00 H new ATOM 509 N GLY A 29 4.565 7.389 -4.760 1.00 0.00 N ATOM 510 CA GLY A 29 5.060 6.154 -4.151 1.00 0.00 C ATOM 511 C GLY A 29 5.514 5.119 -5.209 1.00 0.00 C ATOM 512 O GLY A 29 5.310 5.331 -6.414 1.00 0.00 O ATOM 0 H GLY A 29 3.946 7.204 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.896 6.386 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.277 5.717 -3.531 1.00 0.00 H new ATOM 516 N PRO A 30 6.139 3.998 -4.788 1.00 0.00 N ATOM 517 CA PRO A 30 6.702 2.989 -5.695 1.00 0.00 C ATOM 518 C PRO A 30 5.667 2.203 -6.532 1.00 0.00 C ATOM 519 O PRO A 30 4.451 2.394 -6.428 1.00 0.00 O ATOM 520 CB PRO A 30 7.559 2.073 -4.798 1.00 0.00 C ATOM 521 CG PRO A 30 6.962 2.239 -3.404 1.00 0.00 C ATOM 522 CD PRO A 30 6.507 3.694 -3.409 1.00 0.00 C ATOM 0 HA PRO A 30 7.289 3.480 -6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.512 1.036 -5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.609 2.367 -4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.131 1.555 -3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.697 2.047 -2.623 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.660 3.840 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.304 4.353 -3.064 1.00 0.00 H new ATOM 530 N ASN A 31 6.181 1.287 -7.363 1.00 0.00 N ATOM 531 CA ASN A 31 5.391 0.216 -7.971 1.00 0.00 C ATOM 532 C ASN A 31 5.143 -0.894 -6.935 1.00 0.00 C ATOM 533 O ASN A 31 6.052 -1.655 -6.608 1.00 0.00 O ATOM 534 CB ASN A 31 6.059 -0.341 -9.247 1.00 0.00 C ATOM 535 CG ASN A 31 5.073 -1.219 -10.015 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.243 -1.897 -9.441 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.099 -1.222 -11.324 1.00 0.00 N ATOM 0 H ASN A 31 7.165 1.271 -7.632 1.00 0.00 H new ATOM 0 HA ASN A 31 4.432 0.630 -8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.395 0.481 -9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.943 -0.920 -8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.430 -1.787 -11.846 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.789 -0.659 -11.822 1.00 0.00 H new ATOM 544 N LEU A 32 3.923 -0.953 -6.406 1.00 0.00 N ATOM 545 CA LEU A 32 3.513 -1.862 -5.341 1.00 0.00 C ATOM 546 C LEU A 32 3.560 -3.347 -5.723 1.00 0.00 C ATOM 547 O LEU A 32 3.785 -4.140 -4.819 1.00 0.00 O ATOM 548 CB LEU A 32 2.092 -1.490 -4.881 1.00 0.00 C ATOM 549 CG LEU A 32 1.993 -0.134 -4.165 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.528 0.249 -3.968 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.666 -0.169 -2.793 1.00 0.00 C ATOM 0 H LEU A 32 3.166 -0.346 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 32 4.237 -1.740 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.433 -1.478 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.724 -2.268 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 32 2.502 0.598 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.469 1.211 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.037 0.320 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.031 -0.511 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.575 0.808 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.183 -0.922 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.721 -0.418 -2.911 1.00 0.00 H new ATOM 563 N HIS A 33 3.374 -3.704 -7.007 1.00 0.00 N ATOM 564 CA HIS A 33 3.206 -5.067 -7.557 1.00 0.00 C ATOM 565 C HIS A 33 3.216 -6.164 -6.488 1.00 0.00 C ATOM 566 O HIS A 33 2.172 -6.446 -5.911 1.00 0.00 O ATOM 567 CB HIS A 33 4.182 -5.268 -8.735 1.00 0.00 C ATOM 568 CG HIS A 33 3.798 -6.364 -9.702 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.523 -6.695 -10.106 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.666 -7.107 -10.452 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.617 -7.642 -11.047 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.908 -7.922 -11.305 1.00 0.00 N ATOM 0 H HIS A 33 3.334 -2.999 -7.743 1.00 0.00 H new ATOM 0 HA HIS A 33 2.201 -5.167 -7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.262 -4.330 -9.285 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.171 -5.488 -8.334 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.658 -6.289 -9.750 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.744 -7.073 -10.397 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.775 -8.115 -11.531 1.00 0.00 H new ATOM 580 N GLY A 34 4.387 -6.709 -6.177 1.00 0.00 N ATOM 581 CA GLY A 34 4.589 -7.787 -5.204 1.00 0.00 C ATOM 582 C GLY A 34 5.142 -7.374 -3.839 1.00 0.00 C ATOM 583 O GLY A 34 6.062 -8.027 -3.350 1.00 0.00 O ATOM 0 H GLY A 34 5.258 -6.403 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.635 -8.290 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.268 -8.519 -5.641 1.00 0.00 H new ATOM 587 N ILE A 35 4.593 -6.337 -3.190 1.00 0.00 N ATOM 588 CA ILE A 35 4.965 -5.991 -1.806 1.00 0.00 C ATOM 589 C ILE A 35 4.759 -7.141 -0.808 1.00 0.00 C ATOM 590 O ILE A 35 5.529 -7.234 0.143 1.00 0.00 O ATOM 591 CB ILE A 35 4.297 -4.695 -1.268 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.820 -4.415 -1.635 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.140 -3.476 -1.675 1.00 0.00 C ATOM 594 CD1 ILE A 35 1.842 -5.571 -1.432 1.00 0.00 C ATOM 0 H ILE A 35 3.890 -5.722 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 35 6.035 -5.795 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 35 4.267 -4.873 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.475 -3.567 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.779 -4.112 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.671 -2.567 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.141 -3.569 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.206 -3.426 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.840 -5.255 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.148 -6.418 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.839 -5.865 -0.382 1.00 0.00 H new ATOM 606 N PHE A 36 3.758 -8.007 -1.002 1.00 0.00 N ATOM 607 CA PHE A 36 3.386 -9.080 -0.079 1.00 0.00 C ATOM 608 C PHE A 36 4.530 -10.079 0.136 1.00 0.00 C ATOM 609 O PHE A 36 4.972 -10.754 -0.789 1.00 0.00 O ATOM 610 CB PHE A 36 2.099 -9.774 -0.547 1.00 0.00 C ATOM 611 CG PHE A 36 0.848 -8.938 -0.335 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.444 -8.614 0.975 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.095 -8.474 -1.431 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.688 -7.810 1.190 1.00 0.00 C ATOM 615 CE2 PHE A 36 -1.047 -7.679 -1.212 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.435 -7.342 0.098 1.00 0.00 C ATOM 0 H PHE A 36 3.167 -7.978 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 36 3.188 -8.628 0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.190 -10.015 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.990 -10.718 -0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.007 -8.985 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.393 -8.727 -2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.983 -7.552 2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.627 -7.327 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.306 -6.725 0.263 1.00 0.00 H new ATOM 626 N GLY A 37 5.018 -10.143 1.372 1.00 0.00 N ATOM 627 CA GLY A 37 6.191 -10.915 1.789 1.00 0.00 C ATOM 628 C GLY A 37 7.500 -10.118 1.774 1.00 0.00 C ATOM 629 O GLY A 37 8.484 -10.544 2.380 1.00 0.00 O ATOM 0 H GLY A 37 4.589 -9.636 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.022 -11.298 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.296 -11.779 1.133 1.00 0.00 H new ATOM 633 N ARG A 38 7.543 -8.938 1.148 1.00 0.00 N ATOM 634 CA ARG A 38 8.671 -8.006 1.255 1.00 0.00 C ATOM 635 C ARG A 38 8.554 -7.169 2.527 1.00 0.00 C ATOM 636 O ARG A 38 7.592 -7.290 3.280 1.00 0.00 O ATOM 637 CB ARG A 38 8.743 -7.144 -0.024 1.00 0.00 C ATOM 638 CG ARG A 38 10.178 -6.846 -0.481 1.00 0.00 C ATOM 639 CD ARG A 38 10.826 -8.084 -1.121 1.00 0.00 C ATOM 640 NE ARG A 38 12.289 -7.926 -1.240 1.00 0.00 N ATOM 641 CZ ARG A 38 13.084 -8.344 -2.206 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.634 -8.983 -3.249 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.366 -8.124 -2.140 1.00 0.00 N ATOM 0 H ARG A 38 6.791 -8.600 0.548 1.00 0.00 H new ATOM 0 HA ARG A 38 9.607 -8.558 1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.213 -7.655 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.223 -6.202 0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.171 -6.025 -1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.774 -6.520 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.601 -8.965 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.395 -8.253 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 38 12.745 -7.428 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.636 -9.175 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.280 -9.291 -3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.758 -7.627 -1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.978 -8.448 -2.888 1.00 0.00 H new ATOM 657 N HIS A 39 9.564 -6.346 2.788 1.00 0.00 N ATOM 658 CA HIS A 39 9.645 -5.523 3.992 1.00 0.00 C ATOM 659 C HIS A 39 9.645 -4.030 3.648 1.00 0.00 C ATOM 660 O HIS A 39 10.261 -3.642 2.654 1.00 0.00 O ATOM 661 CB HIS A 39 10.868 -5.924 4.819 1.00 0.00 C ATOM 662 CG HIS A 39 10.732 -7.277 5.475 1.00 0.00 C ATOM 663 ND1 HIS A 39 10.688 -8.510 4.855 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.593 -7.489 6.816 1.00 0.00 C ATOM 665 CE1 HIS A 39 10.528 -9.442 5.808 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.465 -8.865 7.017 1.00 0.00 N ATOM 0 H HIS A 39 10.361 -6.229 2.162 1.00 0.00 H new ATOM 0 HA HIS A 39 8.757 -5.701 4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.747 -5.928 4.175 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.040 -5.171 5.588 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.584 -6.729 7.584 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.460 -10.505 5.627 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.346 -9.340 7.912 1.00 0.00 H new ATOM 674 N SER A 40 8.975 -3.207 4.464 1.00 0.00 N ATOM 675 CA SER A 40 8.819 -1.765 4.227 1.00 0.00 C ATOM 676 C SER A 40 10.157 -1.074 3.971 1.00 0.00 C ATOM 677 O SER A 40 11.074 -1.173 4.787 1.00 0.00 O ATOM 678 CB SER A 40 8.019 -1.064 5.338 1.00 0.00 C ATOM 679 OG SER A 40 8.724 -0.912 6.556 1.00 0.00 O ATOM 0 H SER A 40 8.520 -3.527 5.319 1.00 0.00 H new ATOM 0 HA SER A 40 8.230 -1.672 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.713 -0.080 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.108 -1.632 5.527 1.00 0.00 H new ATOM 0 HG SER A 40 9.053 0.008 6.631 1.00 0.00 H new ATOM 685 N GLY A 41 10.283 -0.443 2.807 1.00 0.00 N ATOM 686 CA GLY A 41 11.506 0.261 2.411 1.00 0.00 C ATOM 687 C GLY A 41 12.560 -0.577 1.675 1.00 0.00 C ATOM 688 O GLY A 41 13.737 -0.243 1.761 1.00 0.00 O ATOM 0 H GLY A 41 9.541 -0.403 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.228 1.099 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.965 0.681 3.306 1.00 0.00 H new ATOM 692 N GLN A 42 12.196 -1.659 0.972 1.00 0.00 N ATOM 693 CA GLN A 42 13.166 -2.519 0.255 1.00 0.00 C ATOM 694 C GLN A 42 13.329 -2.282 -1.260 1.00 0.00 C ATOM 695 O GLN A 42 14.209 -2.902 -1.862 1.00 0.00 O ATOM 696 CB GLN A 42 12.874 -4.004 0.534 1.00 0.00 C ATOM 697 CG GLN A 42 13.475 -4.439 1.879 1.00 0.00 C ATOM 698 CD GLN A 42 13.585 -5.950 2.026 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.226 -6.748 1.167 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.096 -6.417 3.139 1.00 0.00 N ATOM 0 H GLN A 42 11.228 -1.967 0.881 1.00 0.00 H new ATOM 0 HA GLN A 42 14.129 -2.218 0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.797 -4.172 0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.286 -4.616 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.465 -3.997 1.987 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.860 -4.045 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.402 -5.774 3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.188 -7.424 3.275 1.00 0.00 H new ATOM 741 N TYR A 46 14.170 3.420 -5.136 1.00 0.00 N ATOM 742 CA TYR A 46 13.178 4.381 -4.672 1.00 0.00 C ATOM 743 C TYR A 46 13.609 4.938 -3.307 1.00 0.00 C ATOM 744 O TYR A 46 13.592 4.239 -2.299 1.00 0.00 O ATOM 745 CB TYR A 46 11.788 3.716 -4.654 1.00 0.00 C ATOM 746 CG TYR A 46 10.650 4.704 -4.478 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.542 5.499 -3.321 1.00 0.00 C ATOM 748 CD2 TYR A 46 9.742 4.894 -5.533 1.00 0.00 C ATOM 749 CE1 TYR A 46 9.614 6.554 -3.291 1.00 0.00 C ATOM 750 CE2 TYR A 46 8.798 5.934 -5.500 1.00 0.00 C ATOM 751 CZ TYR A 46 8.763 6.788 -4.383 1.00 0.00 C ATOM 752 OH TYR A 46 7.915 7.838 -4.360 1.00 0.00 O ATOM 0 HA TYR A 46 13.109 5.231 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.643 3.168 -5.585 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.753 2.985 -3.846 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.167 5.300 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.770 4.229 -6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.555 7.190 -2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.110 6.076 -6.320 1.00 0.00 H new ATOM 0 HH TYR A 46 7.786 8.174 -5.271 1.00 0.00 H new ATOM 762 N SER A 47 13.992 6.214 -3.246 1.00 0.00 N ATOM 763 CA SER A 47 14.471 6.868 -2.015 1.00 0.00 C ATOM 764 C SER A 47 13.361 7.112 -0.967 1.00 0.00 C ATOM 765 O SER A 47 12.796 8.209 -0.882 1.00 0.00 O ATOM 766 CB SER A 47 15.207 8.164 -2.376 1.00 0.00 C ATOM 767 OG SER A 47 16.213 7.887 -3.342 1.00 0.00 O ATOM 0 H SER A 47 13.980 6.834 -4.056 1.00 0.00 H new ATOM 0 HA SER A 47 15.164 6.180 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.503 8.897 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.656 8.600 -1.484 1.00 0.00 H new ATOM 0 HG SER A 47 16.682 8.716 -3.573 1.00 0.00 H new ATOM 773 N TYR A 48 13.060 6.084 -0.159 1.00 0.00 N ATOM 774 CA TYR A 48 12.136 6.098 0.986 1.00 0.00 C ATOM 775 C TYR A 48 12.516 7.105 2.093 1.00 0.00 C ATOM 776 O TYR A 48 13.621 7.652 2.130 1.00 0.00 O ATOM 777 CB TYR A 48 12.079 4.691 1.610 1.00 0.00 C ATOM 778 CG TYR A 48 11.391 3.619 0.795 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.130 2.831 -0.104 1.00 0.00 C ATOM 780 CD2 TYR A 48 10.017 3.374 0.976 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.479 1.846 -0.865 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.375 2.352 0.247 1.00 0.00 C ATOM 783 CZ TYR A 48 10.107 1.577 -0.681 1.00 0.00 C ATOM 784 OH TYR A 48 9.534 0.545 -1.360 1.00 0.00 O ATOM 0 H TYR A 48 13.481 5.165 -0.296 1.00 0.00 H new ATOM 0 HA TYR A 48 11.170 6.410 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.100 4.365 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.573 4.765 2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.194 2.982 -0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.452 3.971 1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.037 1.287 -1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.323 2.161 0.398 1.00 0.00 H new ATOM 0 HH TYR A 48 8.584 0.487 -1.126 1.00 0.00 H new ATOM 794 N THR A 49 11.619 7.308 3.060 1.00 0.00 N ATOM 795 CA THR A 49 11.893 7.928 4.363 1.00 0.00 C ATOM 796 C THR A 49 12.641 6.989 5.298 1.00 0.00 C ATOM 797 O THR A 49 12.397 5.782 5.329 1.00 0.00 O ATOM 798 CB THR A 49 10.607 8.344 5.108 1.00 0.00 C ATOM 799 OG1 THR A 49 9.707 7.270 5.277 1.00 0.00 O ATOM 800 CG2 THR A 49 9.888 9.480 4.394 1.00 0.00 C ATOM 0 H THR A 49 10.642 7.035 2.955 1.00 0.00 H new ATOM 0 HA THR A 49 12.495 8.805 4.124 1.00 0.00 H new ATOM 0 HB THR A 49 10.934 8.680 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.921 7.410 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.987 9.746 4.948 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.546 10.347 4.334 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.615 9.162 3.388 1.00 0.00 H new ATOM 808 N ASP A 50 13.448 7.593 6.175 1.00 0.00 N ATOM 809 CA ASP A 50 14.006 6.966 7.377 1.00 0.00 C ATOM 810 C ASP A 50 12.960 6.137 8.143 1.00 0.00 C ATOM 811 O ASP A 50 13.217 4.980 8.467 1.00 0.00 O ATOM 812 CB ASP A 50 14.593 8.067 8.276 1.00 0.00 C ATOM 813 CG ASP A 50 14.960 7.513 9.651 1.00 0.00 C ATOM 814 OD1 ASP A 50 14.061 7.390 10.512 1.00 0.00 O ATOM 815 OD2 ASP A 50 16.116 7.093 9.849 1.00 0.00 O ATOM 0 H ASP A 50 13.741 8.564 6.064 1.00 0.00 H new ATOM 0 HA ASP A 50 14.788 6.269 7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.478 8.494 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.870 8.875 8.387 1.00 0.00 H new ATOM 820 N ALA A 51 11.781 6.715 8.399 1.00 0.00 N ATOM 821 CA ALA A 51 10.712 6.084 9.161 1.00 0.00 C ATOM 822 C ALA A 51 10.201 4.787 8.508 1.00 0.00 C ATOM 823 O ALA A 51 10.058 3.772 9.190 1.00 0.00 O ATOM 824 CB ALA A 51 9.589 7.109 9.343 1.00 0.00 C ATOM 0 H ALA A 51 11.545 7.652 8.074 1.00 0.00 H new ATOM 0 HA ALA A 51 11.101 5.779 10.133 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.775 6.660 9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.972 7.976 9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.220 7.421 8.366 1.00 0.00 H new ATOM 830 N ASN A 52 9.934 4.793 7.193 1.00 0.00 N ATOM 831 CA ASN A 52 9.450 3.595 6.493 1.00 0.00 C ATOM 832 C ASN A 52 10.514 2.483 6.480 1.00 0.00 C ATOM 833 O ASN A 52 10.180 1.302 6.588 1.00 0.00 O ATOM 834 CB ASN A 52 8.982 3.979 5.076 1.00 0.00 C ATOM 835 CG ASN A 52 8.143 2.890 4.423 1.00 0.00 C ATOM 836 OD1 ASN A 52 6.946 2.804 4.648 1.00 0.00 O ATOM 837 ND2 ASN A 52 8.727 2.061 3.591 1.00 0.00 N ATOM 0 H ASN A 52 10.045 5.612 6.595 1.00 0.00 H new ATOM 0 HA ASN A 52 8.595 3.187 7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.401 4.900 5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.852 4.185 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.181 1.336 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.728 2.141 3.410 1.00 0.00 H new ATOM 844 N ILE A 53 11.796 2.863 6.404 1.00 0.00 N ATOM 845 CA ILE A 53 12.955 1.958 6.441 1.00 0.00 C ATOM 846 C ILE A 53 13.222 1.404 7.838 1.00 0.00 C ATOM 847 O ILE A 53 13.134 0.199 8.027 1.00 0.00 O ATOM 848 CB ILE A 53 14.224 2.651 5.900 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.084 3.088 4.423 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.463 1.738 6.049 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.113 4.162 4.032 1.00 0.00 C ATOM 0 H ILE A 53 12.065 3.842 6.312 1.00 0.00 H new ATOM 0 HA ILE A 53 12.704 1.117 5.794 1.00 0.00 H new ATOM 0 HB ILE A 53 14.356 3.549 6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.206 2.219 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.078 3.473 4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.342 2.251 5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.617 1.502 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.305 0.816 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.974 4.435 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.975 5.043 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.120 3.770 4.174 1.00 0.00 H new ATOM 863 N LYS A 54 13.527 2.241 8.837 1.00 0.00 N ATOM 864 CA LYS A 54 13.856 1.809 10.213 1.00 0.00 C ATOM 865 C LYS A 54 12.716 1.063 10.926 1.00 0.00 C ATOM 866 O LYS A 54 12.903 0.582 12.043 1.00 0.00 O ATOM 867 CB LYS A 54 14.388 2.993 11.047 1.00 0.00 C ATOM 868 CG LYS A 54 15.831 3.374 10.649 1.00 0.00 C ATOM 869 CD LYS A 54 16.708 3.813 11.842 1.00 0.00 C ATOM 870 CE LYS A 54 16.738 5.316 12.154 1.00 0.00 C ATOM 871 NZ LYS A 54 15.396 5.924 12.294 1.00 0.00 N ATOM 0 H LYS A 54 13.554 3.254 8.717 1.00 0.00 H new ATOM 0 HA LYS A 54 14.652 1.070 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.734 3.855 10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.360 2.734 12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.300 2.521 10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.796 4.182 9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.362 3.287 12.732 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.730 3.483 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.297 5.475 13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.279 5.832 11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.477 6.834 12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.986 6.080 11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.781 5.286 12.838 1.00 0.00 H new ATOM 885 N LYS A 55 11.552 0.934 10.275 1.00 0.00 N ATOM 886 CA LYS A 55 10.429 0.095 10.735 1.00 0.00 C ATOM 887 C LYS A 55 10.392 -1.308 10.106 1.00 0.00 C ATOM 888 O LYS A 55 9.724 -2.159 10.692 1.00 0.00 O ATOM 889 CB LYS A 55 9.106 0.877 10.583 1.00 0.00 C ATOM 890 CG LYS A 55 8.027 0.483 11.616 1.00 0.00 C ATOM 891 CD LYS A 55 7.010 -0.565 11.130 1.00 0.00 C ATOM 892 CE LYS A 55 6.621 -1.535 12.252 1.00 0.00 C ATOM 893 NZ LYS A 55 7.681 -2.555 12.457 1.00 0.00 N ATOM 0 H LYS A 55 11.358 1.417 9.398 1.00 0.00 H new ATOM 0 HA LYS A 55 10.583 -0.115 11.793 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.312 1.943 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.712 0.715 9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.523 0.099 12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.486 1.381 11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.118 -0.062 10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.433 -1.124 10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.458 -0.982 13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.680 -2.026 12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.243 -3.490 12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.309 -2.574 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.233 -2.316 13.305 1.00 0.00 H new ATOM 907 N ASN A 56 11.071 -1.524 8.967 1.00 0.00 N ATOM 908 CA ASN A 56 11.084 -2.702 8.070 1.00 0.00 C ATOM 909 C ASN A 56 9.954 -3.709 8.354 1.00 0.00 C ATOM 910 O ASN A 56 10.169 -4.776 8.926 1.00 0.00 O ATOM 911 CB ASN A 56 12.473 -3.382 8.055 1.00 0.00 C ATOM 912 CG ASN A 56 13.585 -2.689 7.274 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.742 -2.736 7.650 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.329 -2.103 6.125 1.00 0.00 N ATOM 0 H ASN A 56 11.694 -0.800 8.609 1.00 0.00 H new ATOM 0 HA ASN A 56 10.884 -2.320 7.069 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.805 -3.493 9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.352 -4.386 7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.090 -1.704 5.575 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.370 -2.048 5.783 1.00 0.00 H new ATOM 921 N VAL A 57 8.724 -3.363 7.979 1.00 0.00 N ATOM 922 CA VAL A 57 7.540 -4.188 8.218 1.00 0.00 C ATOM 923 C VAL A 57 7.349 -5.209 7.127 1.00 0.00 C ATOM 924 O VAL A 57 7.253 -4.842 5.963 1.00 0.00 O ATOM 925 CB VAL A 57 6.281 -3.323 8.436 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.189 -3.322 7.366 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.662 -3.817 9.737 1.00 0.00 C ATOM 0 H VAL A 57 8.518 -2.490 7.494 1.00 0.00 H new ATOM 0 HA VAL A 57 7.705 -4.741 9.142 1.00 0.00 H new ATOM 0 HB VAL A 57 6.636 -2.293 8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.377 -2.664 7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.604 -2.967 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.806 -4.334 7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.761 -3.243 9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.406 -4.872 9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.376 -3.690 10.551 1.00 0.00 H new ATOM 937 N LEU A 58 7.275 -6.485 7.502 1.00 0.00 N ATOM 938 CA LEU A 58 6.812 -7.531 6.598 1.00 0.00 C ATOM 939 C LEU A 58 5.373 -7.209 6.163 1.00 0.00 C ATOM 940 O LEU A 58 4.449 -7.161 6.982 1.00 0.00 O ATOM 941 CB LEU A 58 6.975 -8.912 7.254 1.00 0.00 C ATOM 942 CG LEU A 58 7.084 -10.058 6.226 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.621 -11.315 6.918 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.733 -10.415 5.608 1.00 0.00 C ATOM 0 H LEU A 58 7.532 -6.818 8.431 1.00 0.00 H new ATOM 0 HA LEU A 58 7.419 -7.565 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.867 -8.907 7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.125 -9.099 7.910 1.00 0.00 H new ATOM 0 HG LEU A 58 7.752 -9.713 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.698 -12.125 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.606 -11.107 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.941 -11.608 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.864 -11.226 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.046 -10.731 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.324 -9.543 5.098 1.00 0.00 H new ATOM 956 N TRP A 59 5.216 -6.881 4.887 1.00 0.00 N ATOM 957 CA TRP A 59 3.938 -6.592 4.250 1.00 0.00 C ATOM 958 C TRP A 59 3.089 -7.857 4.121 1.00 0.00 C ATOM 959 O TRP A 59 3.373 -8.743 3.318 1.00 0.00 O ATOM 960 CB TRP A 59 4.166 -5.911 2.899 1.00 0.00 C ATOM 961 CG TRP A 59 4.698 -4.513 2.984 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.792 -4.039 2.344 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.179 -3.398 3.773 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.971 -2.709 2.668 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.047 -2.282 3.599 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.073 -3.220 4.633 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.862 -1.068 4.278 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.874 -2.016 5.324 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.772 -0.941 5.161 1.00 0.00 C ATOM 0 H TRP A 59 6.004 -6.806 4.244 1.00 0.00 H new ATOM 0 HA TRP A 59 3.378 -5.901 4.881 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.861 -6.515 2.316 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.223 -5.894 2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.426 -4.612 1.683 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.697 -2.115 2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.367 -4.027 4.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.544 -0.245 4.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.027 -1.911 5.986 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.624 -0.024 5.711 1.00 0.00 H new ATOM 980 N ASP A 60 2.038 -7.923 4.929 1.00 0.00 N ATOM 981 CA ASP A 60 1.102 -9.040 5.043 1.00 0.00 C ATOM 982 C ASP A 60 -0.340 -8.570 4.762 1.00 0.00 C ATOM 983 O ASP A 60 -0.653 -7.377 4.818 1.00 0.00 O ATOM 984 CB ASP A 60 1.293 -9.674 6.434 1.00 0.00 C ATOM 985 CG ASP A 60 0.054 -10.396 6.942 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.289 -11.440 6.354 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.638 -9.792 7.795 1.00 0.00 O ATOM 0 H ASP A 60 1.801 -7.156 5.559 1.00 0.00 H new ATOM 0 HA ASP A 60 1.301 -9.806 4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.124 -10.378 6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.569 -8.896 7.146 1.00 0.00 H new ATOM 992 N GLU A 61 -1.213 -9.534 4.464 1.00 0.00 N ATOM 993 CA GLU A 61 -2.639 -9.376 4.137 1.00 0.00 C ATOM 994 C GLU A 61 -3.479 -8.837 5.307 1.00 0.00 C ATOM 995 O GLU A 61 -4.623 -8.430 5.106 1.00 0.00 O ATOM 996 CB GLU A 61 -3.226 -10.697 3.591 1.00 0.00 C ATOM 997 CG GLU A 61 -2.709 -10.996 2.174 1.00 0.00 C ATOM 998 CD GLU A 61 -3.344 -12.235 1.514 1.00 0.00 C ATOM 999 OE1 GLU A 61 -4.562 -12.468 1.677 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -2.623 -12.896 0.724 1.00 0.00 O ATOM 0 H GLU A 61 -0.927 -10.513 4.442 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.692 -8.617 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.961 -11.518 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.314 -10.636 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.894 -10.127 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.629 -11.135 2.216 1.00 0.00 H new ATOM 1007 N ASN A 62 -2.942 -8.785 6.531 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.504 -8.064 7.670 1.00 0.00 C ATOM 1009 C ASN A 62 -2.595 -6.918 8.154 1.00 0.00 C ATOM 1010 O ASN A 62 -3.113 -5.838 8.430 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.846 -9.090 8.770 1.00 0.00 C ATOM 1012 CG ASN A 62 -5.244 -9.676 8.633 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -5.721 -9.870 7.426 1.00 0.00 O flip ATOM 1014 ND2 ASN A 62 -5.934 -9.942 9.611 1.00 0.00 N flip ATOM 0 H ASN A 62 -2.071 -9.263 6.760 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.421 -7.558 7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.116 -9.899 8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.754 -8.611 9.745 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.566 -9.792 10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.876 -10.313 9.485 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.273 -7.071 8.211 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.386 -6.000 8.669 1.00 0.00 C ATOM 1023 C ASN A 63 -0.272 -4.792 7.705 1.00 0.00 C ATOM 1024 O ASN A 63 0.004 -3.679 8.150 1.00 0.00 O ATOM 1025 CB ASN A 63 0.973 -6.609 9.012 1.00 0.00 C ATOM 1026 CG ASN A 63 1.804 -5.603 9.765 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.842 -5.105 9.150 1.00 0.00 O flip ATOM 1028 ND2 ASN A 63 1.530 -5.231 10.894 1.00 0.00 N flip ATOM 0 H ASN A 63 -0.790 -7.929 7.945 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.834 -5.560 9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.838 -7.508 9.614 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.488 -6.911 8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.719 -5.619 11.376 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.112 -4.532 11.356 1.00 0.00 H new ATOM 1035 N MET A 64 -0.563 -4.951 6.406 1.00 0.00 N ATOM 1036 CA MET A 64 -0.812 -3.788 5.542 1.00 0.00 C ATOM 1037 C MET A 64 -2.164 -3.104 5.845 1.00 0.00 C ATOM 1038 O MET A 64 -2.249 -1.888 5.725 1.00 0.00 O ATOM 1039 CB MET A 64 -0.735 -4.156 4.053 1.00 0.00 C ATOM 1040 CG MET A 64 -0.465 -2.915 3.188 1.00 0.00 C ATOM 1041 SD MET A 64 -1.277 -2.946 1.571 1.00 0.00 S ATOM 1042 CE MET A 64 -0.285 -4.227 0.776 1.00 0.00 C ATOM 0 H MET A 64 -0.631 -5.854 5.937 1.00 0.00 H new ATOM 0 HA MET A 64 -0.018 -3.076 5.767 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.056 -4.890 3.897 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.670 -4.623 3.742 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.795 -2.029 3.731 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.610 -2.816 3.040 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.784 -4.562 -0.133 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.696 -3.824 0.524 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.167 -5.070 1.456 1.00 0.00 H new ATOM 1052 N SER A 65 -3.201 -3.847 6.260 1.00 0.00 N ATOM 1053 CA SER A 65 -4.496 -3.276 6.673 1.00 0.00 C ATOM 1054 C SER A 65 -4.356 -2.297 7.844 1.00 0.00 C ATOM 1055 O SER A 65 -4.972 -1.235 7.822 1.00 0.00 O ATOM 1056 CB SER A 65 -5.509 -4.376 7.015 1.00 0.00 C ATOM 1057 OG SER A 65 -6.832 -3.885 6.869 1.00 0.00 O ATOM 0 H SER A 65 -3.167 -4.865 6.320 1.00 0.00 H new ATOM 0 HA SER A 65 -4.870 -2.713 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.358 -5.236 6.362 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.352 -4.721 8.037 1.00 0.00 H new ATOM 0 HG SER A 65 -7.471 -4.595 7.088 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.467 -2.572 8.802 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.044 -1.605 9.837 1.00 0.00 C ATOM 1065 C GLU A 66 -2.459 -0.313 9.219 1.00 0.00 C ATOM 1066 O GLU A 66 -2.976 0.782 9.461 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.085 -2.334 10.795 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.189 -1.467 11.687 1.00 0.00 C ATOM 1069 CD GLU A 66 -1.885 -0.676 12.802 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.054 -0.256 12.662 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -1.206 -0.409 13.822 1.00 0.00 O ATOM 0 H GLU A 66 -3.011 -3.481 8.888 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.902 -1.254 10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.680 -2.980 11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.442 -2.983 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.439 -2.112 12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.657 -0.761 11.050 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.449 -0.415 8.344 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.905 0.745 7.616 1.00 0.00 C ATOM 1080 C TYR A 67 -1.977 1.493 6.801 1.00 0.00 C ATOM 1081 O TYR A 67 -2.022 2.717 6.826 1.00 0.00 O ATOM 1082 CB TYR A 67 0.282 0.307 6.738 1.00 0.00 C ATOM 1083 CG TYR A 67 1.110 1.413 6.090 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.642 2.444 6.885 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.426 1.379 4.717 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.464 3.444 6.329 1.00 0.00 C ATOM 1087 CE2 TYR A 67 2.291 2.348 4.166 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.819 3.386 4.965 1.00 0.00 C ATOM 1089 OH TYR A 67 3.683 4.301 4.436 1.00 0.00 O ATOM 0 H TYR A 67 -0.987 -1.297 8.120 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.545 1.461 8.355 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.949 -0.302 7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.102 -0.337 5.947 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.416 2.470 7.941 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.005 0.610 4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.822 4.254 6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.553 2.295 3.120 1.00 0.00 H new ATOM 0 HH TYR A 67 3.817 4.112 3.484 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.904 0.794 6.133 1.00 0.00 N ATOM 1100 CA LEU A 68 -4.041 1.408 5.432 1.00 0.00 C ATOM 1101 C LEU A 68 -5.123 1.982 6.375 1.00 0.00 C ATOM 1102 O LEU A 68 -5.928 2.802 5.935 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.667 0.399 4.447 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.762 -0.102 3.301 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.613 -0.909 2.317 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.056 1.023 2.538 1.00 0.00 C ATOM 0 H LEU A 68 -2.886 -0.223 6.063 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.637 2.260 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.006 -0.467 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.552 0.858 4.006 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.982 -0.711 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.984 -1.269 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.059 -1.759 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.402 -0.275 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.438 0.595 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.800 1.686 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.426 1.589 3.225 1.00 0.00 H new ATOM 1118 N THR A 69 -5.159 1.587 7.652 1.00 0.00 N ATOM 1119 CA THR A 69 -6.026 2.173 8.692 1.00 0.00 C ATOM 1120 C THR A 69 -5.574 3.579 9.076 1.00 0.00 C ATOM 1121 O THR A 69 -6.349 4.529 8.957 1.00 0.00 O ATOM 1122 CB THR A 69 -6.130 1.294 9.940 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.590 0.019 9.587 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.127 1.828 10.974 1.00 0.00 C ATOM 0 H THR A 69 -4.572 0.831 8.005 1.00 0.00 H new ATOM 0 HA THR A 69 -7.021 2.234 8.250 1.00 0.00 H new ATOM 0 HB THR A 69 -5.129 1.280 10.372 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.916 -0.431 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.153 1.159 11.834 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.819 2.822 11.297 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.120 1.883 10.527 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.334 3.728 9.552 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.713 5.023 9.846 1.00 0.00 C ATOM 1134 C ASN A 70 -2.197 4.962 9.555 1.00 0.00 C ATOM 1135 O ASN A 70 -1.407 4.624 10.449 1.00 0.00 O ATOM 1136 CB ASN A 70 -4.033 5.458 11.290 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.614 6.899 11.573 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.624 7.419 11.076 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.348 7.594 12.412 1.00 0.00 N ATOM 0 H ASN A 70 -3.722 2.936 9.748 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.131 5.788 9.192 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.103 5.352 11.469 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.526 4.792 11.988 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.090 8.554 12.641 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.176 7.174 12.834 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.755 5.317 8.333 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.357 5.155 7.936 1.00 0.00 C ATOM 1148 C PRO A 71 0.566 6.070 8.738 1.00 0.00 C ATOM 1149 O PRO A 71 1.677 5.691 9.095 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.312 5.472 6.435 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.528 6.374 6.220 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.543 5.841 7.228 1.00 0.00 C ATOM 0 HA PRO A 71 -0.001 4.144 8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.614 5.976 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.374 4.566 5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.290 7.421 6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.903 6.308 5.199 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.214 6.631 7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.164 5.063 6.785 1.00 0.00 H new ATOM 1160 N LYS A 72 0.087 7.280 9.052 1.00 0.00 N ATOM 1161 CA LYS A 72 0.829 8.340 9.745 1.00 0.00 C ATOM 1162 C LYS A 72 1.089 8.039 11.225 1.00 0.00 C ATOM 1163 O LYS A 72 2.057 8.545 11.779 1.00 0.00 O ATOM 1164 CB LYS A 72 0.078 9.670 9.548 1.00 0.00 C ATOM 1165 CG LYS A 72 1.023 10.804 9.113 1.00 0.00 C ATOM 1166 CD LYS A 72 0.255 11.984 8.497 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.276 11.612 7.105 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.179 12.648 6.553 1.00 0.00 N ATOM 0 H LYS A 72 -0.867 7.558 8.821 1.00 0.00 H new ATOM 0 HA LYS A 72 1.823 8.406 9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.701 9.539 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.418 9.948 10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.593 11.152 9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.741 10.420 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.575 12.264 9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.909 12.853 8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.564 11.465 6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.808 10.663 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.656 12.277 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.890 12.905 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.625 13.490 6.297 1.00 0.00 H new ATOM 1182 N LYS A 73 0.242 7.209 11.846 1.00 0.00 N ATOM 1183 CA LYS A 73 0.458 6.575 13.159 1.00 0.00 C ATOM 1184 C LYS A 73 1.435 5.404 13.067 1.00 0.00 C ATOM 1185 O LYS A 73 2.329 5.297 13.896 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.911 6.148 13.728 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.877 5.219 14.958 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.231 3.767 14.587 1.00 0.00 C ATOM 1189 CE LYS A 73 -1.129 2.838 15.800 1.00 0.00 C ATOM 1190 NZ LYS A 73 -1.712 1.505 15.508 1.00 0.00 N ATOM 0 H LYS A 73 -0.653 6.947 11.432 1.00 0.00 H new ATOM 0 HA LYS A 73 0.919 7.291 13.839 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.467 7.047 13.993 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.470 5.649 12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.115 5.248 15.408 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.578 5.584 15.709 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.243 3.730 14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.561 3.417 13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.084 2.725 16.088 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.646 3.286 16.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.768 0.951 16.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.666 1.623 15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.111 1.006 14.821 1.00 0.00 H new ATOM 1204 N TYR A 74 1.227 4.484 12.126 1.00 0.00 N ATOM 1205 CA TYR A 74 1.983 3.225 12.057 1.00 0.00 C ATOM 1206 C TYR A 74 3.446 3.402 11.632 1.00 0.00 C ATOM 1207 O TYR A 74 4.339 2.718 12.132 1.00 0.00 O ATOM 1208 CB TYR A 74 1.270 2.280 11.092 1.00 0.00 C ATOM 1209 CG TYR A 74 1.742 0.845 11.208 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.596 0.164 12.434 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.324 0.189 10.110 1.00 0.00 C ATOM 1212 CE1 TYR A 74 2.023 -1.167 12.563 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.739 -1.151 10.230 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.588 -1.829 11.456 1.00 0.00 C ATOM 1215 OH TYR A 74 3.006 -3.113 11.596 1.00 0.00 O ATOM 0 H TYR A 74 0.530 4.586 11.388 1.00 0.00 H new ATOM 0 HA TYR A 74 2.015 2.812 13.065 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.197 2.320 11.280 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.427 2.627 10.071 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.153 0.670 13.279 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.453 0.713 9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.919 -1.681 13.507 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.173 -1.660 9.382 1.00 0.00 H new ATOM 0 HH TYR A 74 3.068 -3.335 12.549 1.00 0.00 H new ATOM 1225 N ILE A 75 3.675 4.367 10.744 1.00 0.00 N ATOM 1226 CA ILE A 75 4.990 4.883 10.372 1.00 0.00 C ATOM 1227 C ILE A 75 5.018 6.379 10.749 1.00 0.00 C ATOM 1228 O ILE A 75 4.675 7.226 9.914 1.00 0.00 O ATOM 1229 CB ILE A 75 5.301 4.616 8.880 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.092 3.153 8.417 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.740 5.056 8.560 1.00 0.00 C ATOM 1232 CD1 ILE A 75 6.047 2.120 9.017 1.00 0.00 C ATOM 0 H ILE A 75 2.917 4.830 10.243 1.00 0.00 H new ATOM 0 HA ILE A 75 5.783 4.367 10.913 1.00 0.00 H new ATOM 0 HB ILE A 75 4.573 5.207 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.071 2.858 8.658 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.186 3.119 7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.953 4.866 7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.849 6.121 8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.439 4.494 9.179 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.809 1.132 8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.073 2.378 8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.941 2.113 10.102 1.00 0.00 H new ATOM 1244 N PRO A 76 5.402 6.735 11.992 1.00 0.00 N ATOM 1245 CA PRO A 76 5.426 8.120 12.470 1.00 0.00 C ATOM 1246 C PRO A 76 6.586 8.917 11.847 1.00 0.00 C ATOM 1247 O PRO A 76 7.623 9.139 12.467 1.00 0.00 O ATOM 1248 CB PRO A 76 5.488 8.014 13.998 1.00 0.00 C ATOM 1249 CG PRO A 76 6.250 6.708 14.225 1.00 0.00 C ATOM 1250 CD PRO A 76 5.773 5.826 13.073 1.00 0.00 C ATOM 0 HA PRO A 76 4.543 8.684 12.168 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.006 8.865 14.440 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.492 7.982 14.440 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.329 6.860 14.196 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.016 6.267 15.194 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.560 5.142 12.754 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.923 5.215 13.377 1.00 0.00 H new ATOM 1258 N GLY A 77 6.407 9.323 10.588 1.00 0.00 N ATOM 1259 CA GLY A 77 7.417 9.983 9.751 1.00 0.00 C ATOM 1260 C GLY A 77 7.430 9.570 8.271 1.00 0.00 C ATOM 1261 O GLY A 77 8.318 10.001 7.542 1.00 0.00 O ATOM 0 H GLY A 77 5.519 9.197 10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.261 11.060 9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.401 9.781 10.174 1.00 0.00 H new ATOM 1265 N THR A 78 6.485 8.737 7.808 1.00 0.00 N ATOM 1266 CA THR A 78 6.324 8.383 6.381 1.00 0.00 C ATOM 1267 C THR A 78 6.025 9.597 5.491 1.00 0.00 C ATOM 1268 O THR A 78 5.314 10.514 5.899 1.00 0.00 O ATOM 1269 CB THR A 78 5.206 7.338 6.202 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.101 6.935 4.858 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.812 7.803 6.632 1.00 0.00 C ATOM 0 H THR A 78 5.803 8.284 8.416 1.00 0.00 H new ATOM 0 HA THR A 78 7.281 7.968 6.064 1.00 0.00 H new ATOM 0 HB THR A 78 5.510 6.522 6.857 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.618 6.083 4.809 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.094 7.000 6.468 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.827 8.067 7.690 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.522 8.674 6.045 1.00 0.00 H new ATOM 1279 N LYS A 79 6.455 9.553 4.221 1.00 0.00 N ATOM 1280 CA LYS A 79 6.089 10.498 3.144 1.00 0.00 C ATOM 1281 C LYS A 79 4.683 10.207 2.559 1.00 0.00 C ATOM 1282 O LYS A 79 4.160 11.006 1.785 1.00 0.00 O ATOM 1283 CB LYS A 79 7.255 10.513 2.121 1.00 0.00 C ATOM 1284 CG LYS A 79 7.102 11.346 0.831 1.00 0.00 C ATOM 1285 CD LYS A 79 8.073 10.958 -0.304 1.00 0.00 C ATOM 1286 CE LYS A 79 9.555 11.313 -0.106 1.00 0.00 C ATOM 1287 NZ LYS A 79 10.250 10.368 0.798 1.00 0.00 N ATOM 0 H LYS A 79 7.095 8.828 3.898 1.00 0.00 H new ATOM 0 HA LYS A 79 5.974 11.512 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.145 10.869 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.449 9.482 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.080 11.244 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.250 12.398 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.000 9.882 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.730 11.436 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.056 11.319 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.632 12.322 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.265 10.355 0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.118 10.671 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.855 9.414 0.673 1.00 0.00 H new ATOM 1301 N MET A 80 4.007 9.127 2.979 1.00 0.00 N ATOM 1302 CA MET A 80 2.603 8.842 2.666 1.00 0.00 C ATOM 1303 C MET A 80 1.655 9.897 3.281 1.00 0.00 C ATOM 1304 O MET A 80 1.077 9.711 4.354 1.00 0.00 O ATOM 1305 CB MET A 80 2.286 7.385 3.057 1.00 0.00 C ATOM 1306 CG MET A 80 0.876 6.961 2.639 1.00 0.00 C ATOM 1307 SD MET A 80 0.677 5.222 2.118 1.00 0.00 S ATOM 1308 CE MET A 80 -1.109 5.042 2.343 1.00 0.00 C ATOM 0 H MET A 80 4.436 8.409 3.562 1.00 0.00 H new ATOM 0 HA MET A 80 2.431 8.927 1.593 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.015 6.721 2.593 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.392 7.270 4.136 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.201 7.148 3.474 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.554 7.603 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.449 4.134 1.845 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.337 4.979 3.407 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.619 5.904 1.913 1.00 0.00 H new ATOM 1318 N ALA A 81 1.481 11.023 2.581 1.00 0.00 N ATOM 1319 CA ALA A 81 0.711 12.191 3.024 1.00 0.00 C ATOM 1320 C ALA A 81 -0.807 11.980 3.175 1.00 0.00 C ATOM 1321 O ALA A 81 -1.513 12.826 3.721 1.00 0.00 O ATOM 1322 CB ALA A 81 1.024 13.361 2.081 1.00 0.00 C ATOM 0 H ALA A 81 1.888 11.151 1.655 1.00 0.00 H new ATOM 0 HA ALA A 81 1.031 12.404 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.461 14.241 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.091 13.582 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.743 13.093 1.063 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.270 10.804 2.774 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.626 10.264 2.855 1.00 0.00 C ATOM 1330 C PHE A 82 -3.225 10.302 4.282 1.00 0.00 C ATOM 1331 O PHE A 82 -2.532 10.564 5.269 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.559 8.838 2.279 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.887 8.121 2.126 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.876 8.632 1.267 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.127 6.928 2.832 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.103 7.958 1.125 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.346 6.248 2.680 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.338 6.767 1.834 1.00 0.00 C ATOM 0 H PHE A 82 -0.640 10.131 2.337 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.310 10.887 2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.079 8.884 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.916 8.237 2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.694 9.543 0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.370 6.533 3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.865 8.356 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.520 5.326 3.214 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.281 6.252 1.728 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.533 10.054 4.393 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.285 10.062 5.657 1.00 0.00 C ATOM 1350 C GLY A 83 -5.434 8.676 6.287 1.00 0.00 C ATOM 1351 O GLY A 83 -5.002 8.460 7.414 1.00 0.00 O ATOM 0 H GLY A 83 -5.117 9.836 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.784 10.722 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.276 10.480 5.479 1.00 0.00 H new ATOM 1355 N GLY A 84 -6.033 7.740 5.548 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.355 6.377 5.983 1.00 0.00 C ATOM 1357 C GLY A 84 -7.741 5.942 5.493 1.00 0.00 C ATOM 1358 O GLY A 84 -8.660 6.757 5.369 1.00 0.00 O ATOM 0 H GLY A 84 -6.320 7.919 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.601 5.686 5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.320 6.324 7.071 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.932 4.648 5.238 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.212 4.044 4.861 1.00 0.00 C ATOM 1364 C LEU A 85 -10.022 3.722 6.130 1.00 0.00 C ATOM 1365 O LEU A 85 -10.033 2.598 6.639 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.971 2.812 3.967 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.403 3.079 2.554 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.353 1.773 1.757 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.249 4.069 1.748 1.00 0.00 C ATOM 0 H LEU A 85 -7.174 3.967 5.290 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.804 4.744 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.286 2.143 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.916 2.280 3.859 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.410 3.504 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.952 1.969 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.713 1.057 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.359 1.362 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.800 4.216 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.258 3.674 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.292 5.023 2.274 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.721 4.738 6.650 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.492 4.751 7.915 1.00 0.00 C ATOM 1383 C LYS A 86 -12.652 3.740 8.061 1.00 0.00 C ATOM 1384 O LYS A 86 -13.368 3.827 9.067 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.981 6.196 8.191 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.315 6.852 9.416 1.00 0.00 C ATOM 1387 CD LYS A 86 -11.540 6.176 10.785 1.00 0.00 C ATOM 1388 CE LYS A 86 -12.868 6.484 11.500 1.00 0.00 C ATOM 1389 NZ LYS A 86 -14.054 5.925 10.806 1.00 0.00 N ATOM 0 H LYS A 86 -10.771 5.637 6.171 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.785 4.402 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.788 6.810 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.061 6.183 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.241 6.897 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.670 7.880 9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.471 5.097 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.723 6.466 11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.828 6.085 12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.983 7.564 11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.744 5.594 11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.489 6.661 10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.761 5.127 10.207 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.876 2.832 7.108 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.839 1.719 7.160 1.00 0.00 C ATOM 1405 C LYS A 87 -13.093 0.424 6.835 1.00 0.00 C ATOM 1406 O LYS A 87 -12.337 0.397 5.872 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.961 1.923 6.124 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.933 3.084 6.396 1.00 0.00 C ATOM 1409 CD LYS A 87 -17.056 3.069 5.343 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.989 4.282 5.466 1.00 0.00 C ATOM 1411 NZ LYS A 87 -19.082 4.236 4.460 1.00 0.00 N ATOM 0 H LYS A 87 -12.363 2.851 6.227 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.285 1.674 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.502 2.082 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.538 1.001 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.356 2.992 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.400 4.034 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.616 3.052 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.638 2.154 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.417 4.312 6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.414 5.199 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.693 5.070 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.674 4.232 3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.646 3.373 4.599 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.325 -0.643 7.597 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.645 -1.922 7.338 1.00 0.00 C ATOM 1427 C GLU A 88 -12.971 -2.510 5.960 1.00 0.00 C ATOM 1428 O GLU A 88 -12.067 -2.800 5.197 1.00 0.00 O ATOM 1429 CB GLU A 88 -12.941 -2.927 8.452 1.00 0.00 C ATOM 1430 CG GLU A 88 -12.011 -4.147 8.339 1.00 0.00 C ATOM 1431 CD GLU A 88 -11.406 -4.511 9.694 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -12.143 -5.096 10.508 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -10.227 -4.133 9.908 1.00 0.00 O ATOM 0 H GLU A 88 -13.968 -0.655 8.389 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.576 -1.711 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.809 -2.451 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.981 -3.248 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.569 -4.997 7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.213 -3.934 7.627 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.248 -2.630 5.578 1.00 0.00 N ATOM 1441 CA LYS A 89 -14.645 -3.233 4.293 1.00 0.00 C ATOM 1442 C LYS A 89 -14.085 -2.514 3.058 1.00 0.00 C ATOM 1443 O LYS A 89 -13.853 -3.157 2.044 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.171 -3.359 4.228 1.00 0.00 C ATOM 1445 CG LYS A 89 -16.749 -4.042 5.482 1.00 0.00 C ATOM 1446 CD LYS A 89 -17.787 -5.142 5.202 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.087 -4.598 4.590 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.111 -5.665 4.415 1.00 0.00 N ATOM 0 H LYS A 89 -15.035 -2.314 6.146 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.194 -4.225 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.612 -2.368 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.450 -3.931 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.928 -4.475 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.209 -3.281 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.354 -5.879 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.019 -5.661 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.488 -3.812 5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.870 -4.142 3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.972 -5.255 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.739 -6.403 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.338 -6.083 5.340 1.00 0.00 H new ATOM 1462 N ASP A 90 -13.848 -1.211 3.191 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.132 -0.357 2.218 1.00 0.00 C ATOM 1464 C ASP A 90 -11.670 -0.822 2.059 1.00 0.00 C ATOM 1465 O ASP A 90 -11.226 -1.125 0.951 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.252 1.112 2.677 1.00 0.00 C ATOM 1467 CG ASP A 90 -12.969 2.201 1.629 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -12.528 1.908 0.506 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.225 3.392 1.944 1.00 0.00 O ATOM 0 H ASP A 90 -14.159 -0.690 4.011 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.581 -0.442 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.261 1.265 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.569 1.262 3.513 1.00 0.00 H new ATOM 1474 N ARG A 91 -10.947 -1.025 3.177 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.643 -1.719 3.173 1.00 0.00 C ATOM 1476 C ARG A 91 -9.735 -3.120 2.582 1.00 0.00 C ATOM 1477 O ARG A 91 -8.892 -3.460 1.764 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.016 -1.843 4.573 1.00 0.00 C ATOM 1479 CG ARG A 91 -8.671 -0.497 5.202 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.875 -0.673 6.495 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.612 -1.404 7.543 1.00 0.00 N ATOM 1482 CZ ARG A 91 -9.285 -0.855 8.536 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -9.651 0.396 8.520 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -9.655 -1.524 9.588 1.00 0.00 N ATOM 0 H ARG A 91 -11.246 -0.716 4.102 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.007 -1.089 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.707 -2.375 5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.111 -2.447 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.093 0.099 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.588 0.055 5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.950 -1.205 6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.594 0.309 6.876 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.600 -2.423 7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.418 0.985 7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.171 0.785 9.307 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.426 -2.515 9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.174 -1.058 10.332 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.686 -3.940 3.022 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.768 -5.347 2.634 1.00 0.00 C ATOM 1500 C ASN A 92 -10.974 -5.504 1.125 1.00 0.00 C ATOM 1501 O ASN A 92 -10.307 -6.338 0.513 1.00 0.00 O ATOM 1502 CB ASN A 92 -11.864 -6.073 3.427 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.658 -6.037 4.930 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -10.669 -5.560 5.458 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.607 -6.563 5.662 1.00 0.00 N ATOM 0 H ASN A 92 -11.425 -3.647 3.661 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.814 -5.813 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.829 -5.623 3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.908 -7.112 3.100 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.520 -6.575 6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.433 -6.961 5.216 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.833 -4.690 0.502 1.00 0.00 N ATOM 1513 CA ASP A 93 -11.900 -4.561 -0.960 1.00 0.00 C ATOM 1514 C ASP A 93 -10.545 -4.187 -1.571 1.00 0.00 C ATOM 1515 O ASP A 93 -10.067 -4.908 -2.449 1.00 0.00 O ATOM 1516 CB ASP A 93 -12.936 -3.513 -1.386 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.351 -4.053 -1.546 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.554 -5.185 -2.057 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.313 -3.298 -1.281 1.00 0.00 O ATOM 0 H ASP A 93 -12.503 -4.101 0.997 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.197 -5.541 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.948 -2.711 -0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.620 -3.071 -2.331 1.00 0.00 H new ATOM 1524 N LEU A 94 -9.925 -3.088 -1.111 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.621 -2.599 -1.582 1.00 0.00 C ATOM 1526 C LEU A 94 -7.559 -3.712 -1.560 1.00 0.00 C ATOM 1527 O LEU A 94 -6.901 -3.992 -2.563 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.201 -1.394 -0.707 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.397 -0.292 -1.409 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.168 -0.803 -2.149 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.286 0.501 -2.360 1.00 0.00 C ATOM 0 H LEU A 94 -10.329 -2.500 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.707 -2.279 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.101 -0.946 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.611 -1.768 0.130 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.031 0.358 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.652 0.034 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.497 -1.293 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.474 -1.516 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.696 1.277 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.699 -0.168 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.099 0.962 -1.799 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.441 -4.399 -0.425 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.603 -5.582 -0.212 1.00 0.00 C ATOM 1545 C ILE A 95 -6.975 -6.682 -1.202 1.00 0.00 C ATOM 1546 O ILE A 95 -6.072 -7.209 -1.834 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.678 -6.053 1.259 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -5.996 -5.001 2.165 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.000 -7.425 1.467 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.380 -5.128 3.641 1.00 0.00 C ATOM 0 H ILE A 95 -7.953 -4.133 0.416 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.562 -5.319 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.730 -6.162 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.914 -5.097 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.260 -4.004 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.078 -7.714 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.494 -8.173 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.949 -7.358 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.866 -4.360 4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.457 -5.003 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.091 -6.112 4.009 1.00 0.00 H new ATOM 1562 N THR A 96 -8.257 -7.013 -1.393 1.00 0.00 N ATOM 1563 CA THR A 96 -8.669 -8.049 -2.363 1.00 0.00 C ATOM 1564 C THR A 96 -8.263 -7.704 -3.801 1.00 0.00 C ATOM 1565 O THR A 96 -7.965 -8.606 -4.581 1.00 0.00 O ATOM 1566 CB THR A 96 -10.179 -8.345 -2.343 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.705 -8.433 -1.045 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.486 -9.712 -2.961 1.00 0.00 C ATOM 0 H THR A 96 -9.032 -6.581 -0.891 1.00 0.00 H new ATOM 0 HA THR A 96 -8.136 -8.942 -2.036 1.00 0.00 H new ATOM 0 HB THR A 96 -10.620 -7.516 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.792 -7.534 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.561 -9.891 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.143 -9.729 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.973 -10.490 -2.396 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.203 -6.420 -4.178 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.576 -6.019 -5.447 1.00 0.00 C ATOM 1578 C TYR A 97 -6.068 -6.224 -5.436 1.00 0.00 C ATOM 1579 O TYR A 97 -5.555 -6.919 -6.307 1.00 0.00 O ATOM 1580 CB TYR A 97 -7.907 -4.575 -5.812 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.085 -4.029 -6.968 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.347 -4.444 -8.288 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.001 -3.168 -6.712 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.556 -3.975 -9.356 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.191 -2.721 -7.772 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.465 -3.115 -9.098 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.657 -2.680 -10.104 1.00 0.00 O ATOM 0 H TYR A 97 -8.577 -5.646 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.997 -6.672 -6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.965 -4.508 -6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.750 -3.944 -4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.160 -5.127 -8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.791 -2.850 -5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.783 -4.272 -10.369 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.353 -2.071 -7.569 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.287 -1.803 -9.870 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.347 -5.639 -4.478 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.886 -5.695 -4.428 1.00 0.00 C ATOM 1599 C LEU A 98 -3.358 -7.143 -4.362 1.00 0.00 C ATOM 1600 O LEU A 98 -2.397 -7.490 -5.042 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.416 -4.810 -3.259 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.619 -3.581 -3.733 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.521 -2.561 -2.599 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.204 -3.949 -4.185 1.00 0.00 C ATOM 0 H LEU A 98 -5.763 -5.110 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.463 -5.303 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.283 -4.478 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.797 -5.402 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.152 -3.161 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.956 -1.693 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.522 -2.249 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.014 -3.013 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.681 -3.050 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.663 -4.403 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.259 -4.656 -5.012 1.00 0.00 H new ATOM 1616 N LYS A 99 -4.076 -8.018 -3.647 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.973 -9.487 -3.610 1.00 0.00 C ATOM 1618 C LYS A 99 -3.950 -10.133 -5.001 1.00 0.00 C ATOM 1619 O LYS A 99 -3.328 -11.169 -5.152 1.00 0.00 O ATOM 1620 CB LYS A 99 -5.174 -9.988 -2.776 1.00 0.00 C ATOM 1621 CG LYS A 99 -5.552 -11.480 -2.780 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.666 -12.373 -1.909 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.315 -12.652 -2.564 1.00 0.00 C ATOM 1624 NZ LYS A 99 -2.588 -13.724 -1.859 1.00 0.00 N ATOM 0 H LYS A 99 -4.811 -7.688 -3.022 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.022 -9.775 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.988 -9.705 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.051 -9.432 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.584 -11.579 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.514 -11.846 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.508 -11.895 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.178 -13.316 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.465 -12.936 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.714 -11.742 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.798 -14.054 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.218 -13.358 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.235 -14.516 -1.671 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.609 -9.545 -6.005 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.742 -10.034 -7.397 1.00 0.00 C ATOM 1640 C LYS A 100 -4.169 -9.086 -8.460 1.00 0.00 C ATOM 1641 O LYS A 100 -4.373 -9.253 -9.658 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.213 -10.372 -7.667 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.366 -11.728 -8.380 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.191 -12.932 -7.433 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.899 -14.225 -8.215 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.444 -14.419 -8.371 1.00 0.00 N ATOM 0 H LYS A 100 -5.097 -8.660 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.129 -10.931 -7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.760 -10.393 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.660 -9.588 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.351 -11.779 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.631 -11.795 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.376 -12.734 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.094 -13.062 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.331 -15.078 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.373 -14.178 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.256 -14.948 -9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.973 -13.493 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.076 -14.954 -7.558 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.466 -8.060 -7.994 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.624 -7.138 -8.770 1.00 0.00 C ATOM 1662 C ALA A 101 -1.146 -7.594 -8.860 1.00 0.00 C ATOM 1663 O ALA A 101 -0.339 -6.982 -9.567 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.744 -5.736 -8.164 1.00 0.00 C ATOM 0 H ALA A 101 -3.465 -7.830 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.984 -7.130 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.124 -5.041 -8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.783 -5.410 -8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.410 -5.758 -7.127 1.00 0.00 H new ATOM 1670 N THR A 102 -0.798 -8.672 -8.145 1.00 0.00 N ATOM 1671 CA THR A 102 0.534 -9.299 -8.070 1.00 0.00 C ATOM 1672 C THR A 102 0.583 -10.753 -8.581 1.00 0.00 C ATOM 1673 O THR A 102 1.666 -11.232 -8.916 1.00 0.00 O ATOM 1674 CB THR A 102 1.044 -9.288 -6.623 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.420 -9.594 -6.632 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.353 -10.249 -5.656 1.00 0.00 C ATOM 0 H THR A 102 -1.480 -9.162 -7.566 1.00 0.00 H new ATOM 0 HA THR A 102 1.166 -8.701 -8.727 1.00 0.00 H new ATOM 0 HB THR A 102 0.819 -8.288 -6.252 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.623 -10.165 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.798 -10.151 -4.666 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.709 -10.009 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.476 -11.273 -6.010 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.556 -11.459 -8.588 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.751 -12.904 -8.855 1.00 0.00 C ATOM 1686 C GLU A 103 -2.086 -13.169 -9.560 1.00 0.00 C ATOM 1687 O GLU A 103 -2.272 -14.278 -10.102 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.700 -13.739 -7.542 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.696 -13.294 -6.444 1.00 0.00 C ATOM 1690 CD GLU A 103 -2.269 -14.416 -5.551 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -3.243 -15.069 -6.006 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -1.842 -14.559 -4.376 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.012 -12.346 -9.381 1.00 0.00 O ATOM 0 H GLU A 103 -1.446 -11.001 -8.391 1.00 0.00 H new ATOM 0 HA GLU A 103 0.067 -13.211 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.894 -14.783 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.311 -13.689 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.198 -12.566 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.528 -12.779 -6.924 1.00 0.00 H new