USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 803 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 THR OG1 : rot -55:sc= 1.2 USER MOD Set 1.2: A 93 LYS NZ :NH3+ -166:sc= 0.189 (180deg=0) USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 47 HIS : no HD1:sc= -0.127 X(o=-1.2,f=-1.2) USER MOD Set 2.3: A 69 MET CE :methyl -106:sc= -1.1 (180deg=-2.01) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -141:sc= -0.663 (180deg=-2.67!) USER MOD Single : A 12 THR OG1 : rot 69:sc= 1.05 USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0636 (180deg=-0.426) USER MOD Single : A 20 GLN : amide:sc= 0.128 X(o=0.13,f=-0.3) USER MOD Single : A 21 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.0053) USER MOD Single : A 23 ASN : amide:sc= -0.033 K(o=-0.033,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0.606 (180deg=0.524) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0.479 (180deg=0.446) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 36 MET CE :methyl 165:sc= -3.09! (180deg=-3.41!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.192 K(o=0.19,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ -139:sc= 1.05 (180deg=0.223) USER MOD Single : A 48 THR OG1 : rot 67:sc= 0.149 USER MOD Single : A 49 MET CE :methyl 173:sc= -0.888 (180deg=-1) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= 0.535 (180deg=0.321) USER MOD Single : A 53 THR OG1 : rot -80:sc= -2.83! USER MOD Single : A 55 THR OG1 : rot -6:sc= 1.19 USER MOD Single : A 56 MET CE :methyl -150:sc= 0 (180deg=-0.00362) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 70 ASN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -116:sc= -1.95 (180deg=-4.58!) USER MOD Single : A 77 ASN : amide:sc= -2.16! X(o=-2.2!,f=-1.8) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 144:sc= -0.392 (180deg=-1.92) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc=-0.00645 (180deg=-0.0601) USER MOD Single : A 96 MET CE :methyl -175:sc= 0 (180deg=-0.00488) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.541 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -11.364 -0.445 15.902 1.00 75.11 N ATOM 110 CA ILE A 8 -9.923 -0.781 15.737 1.00 4.33 C ATOM 111 C ILE A 8 -9.733 -2.245 15.253 1.00 2.13 C ATOM 112 O ILE A 8 -8.911 -2.515 14.375 1.00 3.23 O ATOM 113 CB ILE A 8 -9.133 -0.544 17.084 1.00 40.32 C ATOM 114 CG1 ILE A 8 -9.309 0.937 17.571 1.00 10.50 C ATOM 115 CG2 ILE A 8 -7.627 -0.911 16.953 1.00 42.12 C ATOM 116 CD1 ILE A 8 -8.793 2.000 16.608 1.00 63.53 C ATOM 0 HA ILE A 8 -9.518 -0.117 14.973 1.00 4.33 H new ATOM 0 HB ILE A 8 -9.558 -1.211 17.833 1.00 40.32 H new ATOM 0 HG12 ILE A 8 -10.368 1.119 17.755 1.00 10.50 H new ATOM 0 HG13 ILE A 8 -8.795 1.053 18.525 1.00 10.50 H new ATOM 0 HG21 ILE A 8 -7.125 -0.732 17.904 1.00 42.12 H new ATOM 0 HG22 ILE A 8 -7.531 -1.963 16.685 1.00 42.12 H new ATOM 0 HG23 ILE A 8 -7.169 -0.296 16.179 1.00 42.12 H new ATOM 0 HD11 ILE A 8 -8.960 2.989 17.034 1.00 63.53 H new ATOM 0 HD12 ILE A 8 -7.726 1.852 16.441 1.00 63.53 H new ATOM 0 HD13 ILE A 8 -9.323 1.920 15.659 1.00 63.53 H new ATOM 128 N LYS A 9 -10.536 -3.156 15.826 1.00 44.04 N ATOM 129 CA LYS A 9 -10.593 -4.587 15.432 1.00 55.13 C ATOM 130 C LYS A 9 -10.850 -4.760 13.909 1.00 12.02 C ATOM 131 O LYS A 9 -10.110 -5.473 13.217 1.00 2.42 O ATOM 132 CB LYS A 9 -11.729 -5.270 16.239 1.00 10.43 C ATOM 133 CG LYS A 9 -11.995 -6.747 15.901 1.00 43.13 C ATOM 134 CD LYS A 9 -13.254 -7.265 16.620 1.00 44.31 C ATOM 135 CE LYS A 9 -13.515 -8.749 16.366 1.00 60.20 C ATOM 136 NZ LYS A 9 -14.794 -9.203 16.971 1.00 1.03 N ATOM 0 H LYS A 9 -11.175 -2.924 16.586 1.00 44.04 H new ATOM 0 HA LYS A 9 -9.630 -5.049 15.650 1.00 55.13 H new ATOM 0 HB2 LYS A 9 -11.490 -5.197 17.300 1.00 10.43 H new ATOM 0 HB3 LYS A 9 -12.650 -4.709 16.080 1.00 10.43 H new ATOM 0 HG2 LYS A 9 -12.116 -6.860 14.824 1.00 43.13 H new ATOM 0 HG3 LYS A 9 -11.134 -7.350 16.190 1.00 43.13 H new ATOM 0 HD2 LYS A 9 -13.149 -7.098 17.692 1.00 44.31 H new ATOM 0 HD3 LYS A 9 -14.118 -6.688 16.291 1.00 44.31 H new ATOM 0 HE2 LYS A 9 -13.537 -8.934 15.292 1.00 60.20 H new ATOM 0 HE3 LYS A 9 -12.693 -9.336 16.774 1.00 60.20 H new ATOM 0 HZ1 LYS A 9 -14.931 -10.215 16.774 1.00 1.03 H new ATOM 0 HZ2 LYS A 9 -14.765 -9.051 17.999 1.00 1.03 H new ATOM 0 HZ3 LYS A 9 -15.583 -8.661 16.563 1.00 1.03 H new ATOM 150 N LYS A 10 -11.898 -4.069 13.411 1.00 73.52 N ATOM 151 CA LYS A 10 -12.299 -4.099 11.982 1.00 43.22 C ATOM 152 C LYS A 10 -11.177 -3.552 11.070 1.00 73.25 C ATOM 153 O LYS A 10 -10.763 -4.206 10.122 1.00 32.50 O ATOM 154 CB LYS A 10 -13.585 -3.257 11.777 1.00 61.24 C ATOM 155 CG LYS A 10 -14.819 -3.774 12.539 1.00 14.51 C ATOM 156 CD LYS A 10 -16.060 -2.843 12.429 1.00 20.03 C ATOM 157 CE LYS A 10 -16.694 -2.783 11.016 1.00 10.21 C ATOM 158 NZ LYS A 10 -15.864 -2.055 10.015 1.00 42.35 N ATOM 0 H LYS A 10 -12.493 -3.473 13.987 1.00 73.52 H new ATOM 0 HA LYS A 10 -12.488 -5.137 11.710 1.00 43.22 H new ATOM 0 HB2 LYS A 10 -13.385 -2.232 12.088 1.00 61.24 H new ATOM 0 HB3 LYS A 10 -13.818 -3.227 10.713 1.00 61.24 H new ATOM 0 HG2 LYS A 10 -15.082 -4.761 12.159 1.00 14.51 H new ATOM 0 HG3 LYS A 10 -14.560 -3.896 13.591 1.00 14.51 H new ATOM 0 HD2 LYS A 10 -16.816 -3.180 13.139 1.00 20.03 H new ATOM 0 HD3 LYS A 10 -15.770 -1.835 12.727 1.00 20.03 H new ATOM 0 HE2 LYS A 10 -16.866 -3.799 10.662 1.00 10.21 H new ATOM 0 HE3 LYS A 10 -17.669 -2.301 11.086 1.00 10.21 H new ATOM 0 HZ1 LYS A 10 -16.481 -1.490 9.398 1.00 42.35 H new ATOM 0 HZ2 LYS A 10 -15.198 -1.427 10.508 1.00 42.35 H new ATOM 0 HZ3 LYS A 10 -15.333 -2.740 9.440 1.00 42.35 H new ATOM 172 N VAL A 11 -10.685 -2.353 11.423 1.00 73.01 N ATOM 173 CA VAL A 11 -9.641 -1.617 10.671 1.00 53.22 C ATOM 174 C VAL A 11 -8.330 -2.439 10.515 1.00 44.30 C ATOM 175 O VAL A 11 -7.668 -2.383 9.463 1.00 1.33 O ATOM 176 CB VAL A 11 -9.363 -0.238 11.381 1.00 51.04 C ATOM 177 CG1 VAL A 11 -8.175 0.518 10.758 1.00 13.02 C ATOM 178 CG2 VAL A 11 -10.633 0.646 11.364 1.00 3.13 C ATOM 0 H VAL A 11 -11.004 -1.854 12.254 1.00 73.01 H new ATOM 0 HA VAL A 11 -10.012 -1.440 9.661 1.00 53.22 H new ATOM 0 HB VAL A 11 -9.094 -0.461 12.413 1.00 51.04 H new ATOM 0 HG11 VAL A 11 -8.027 1.461 11.285 1.00 13.02 H new ATOM 0 HG12 VAL A 11 -7.274 -0.089 10.841 1.00 13.02 H new ATOM 0 HG13 VAL A 11 -8.382 0.718 9.707 1.00 13.02 H new ATOM 0 HG21 VAL A 11 -10.423 1.594 11.859 1.00 3.13 H new ATOM 0 HG22 VAL A 11 -10.932 0.833 10.333 1.00 3.13 H new ATOM 0 HG23 VAL A 11 -11.440 0.134 11.889 1.00 3.13 H new ATOM 188 N THR A 12 -7.989 -3.212 11.563 1.00 72.21 N ATOM 189 CA THR A 12 -6.807 -4.105 11.558 1.00 0.34 C ATOM 190 C THR A 12 -6.911 -5.150 10.427 1.00 2.33 C ATOM 191 O THR A 12 -6.000 -5.280 9.619 1.00 71.04 O ATOM 192 CB THR A 12 -6.630 -4.840 12.934 1.00 63.11 C ATOM 193 OG1 THR A 12 -6.476 -3.872 13.980 1.00 32.34 O ATOM 194 CG2 THR A 12 -5.416 -5.797 12.949 1.00 14.22 C ATOM 0 H THR A 12 -8.519 -3.238 12.434 1.00 72.21 H new ATOM 0 HA THR A 12 -5.934 -3.475 11.387 1.00 0.34 H new ATOM 0 HB THR A 12 -7.525 -5.442 13.091 1.00 63.11 H new ATOM 0 HG1 THR A 12 -7.324 -3.399 14.115 1.00 32.34 H new ATOM 0 HG21 THR A 12 -5.343 -6.277 13.925 1.00 14.22 H new ATOM 0 HG22 THR A 12 -5.543 -6.558 12.179 1.00 14.22 H new ATOM 0 HG23 THR A 12 -4.505 -5.232 12.754 1.00 14.22 H new ATOM 202 N ASP A 13 -8.042 -5.866 10.364 1.00 22.40 N ATOM 203 CA ASP A 13 -8.265 -6.938 9.367 1.00 43.14 C ATOM 204 C ASP A 13 -8.586 -6.406 7.947 1.00 11.55 C ATOM 205 O ASP A 13 -8.240 -7.054 6.951 1.00 30.21 O ATOM 206 CB ASP A 13 -9.352 -7.900 9.877 1.00 73.30 C ATOM 207 CG ASP A 13 -8.869 -8.676 11.112 1.00 22.15 C ATOM 208 OD1 ASP A 13 -7.981 -9.547 10.958 1.00 13.25 O ATOM 209 OD2 ASP A 13 -9.331 -8.396 12.238 1.00 3.02 O ATOM 0 H ASP A 13 -8.829 -5.724 10.997 1.00 22.40 H new ATOM 0 HA ASP A 13 -7.326 -7.482 9.258 1.00 43.14 H new ATOM 0 HB2 ASP A 13 -10.252 -7.338 10.126 1.00 73.30 H new ATOM 0 HB3 ASP A 13 -9.622 -8.600 9.087 1.00 73.30 H new ATOM 214 N GLU A 14 -9.237 -5.234 7.866 1.00 34.22 N ATOM 215 CA GLU A 14 -9.473 -4.521 6.585 1.00 3.21 C ATOM 216 C GLU A 14 -8.137 -4.125 5.914 1.00 32.15 C ATOM 217 O GLU A 14 -8.045 -4.049 4.689 1.00 73.10 O ATOM 218 CB GLU A 14 -10.344 -3.261 6.823 1.00 64.03 C ATOM 219 CG GLU A 14 -11.823 -3.544 7.166 1.00 71.10 C ATOM 220 CD GLU A 14 -12.630 -2.270 7.477 1.00 31.10 C ATOM 221 OE1 GLU A 14 -12.543 -1.295 6.696 1.00 51.42 O ATOM 222 OE2 GLU A 14 -13.370 -2.239 8.482 1.00 51.24 O ATOM 0 H GLU A 14 -9.616 -4.750 8.680 1.00 34.22 H new ATOM 0 HA GLU A 14 -10.003 -5.198 5.915 1.00 3.21 H new ATOM 0 HB2 GLU A 14 -9.903 -2.681 7.634 1.00 64.03 H new ATOM 0 HB3 GLU A 14 -10.307 -2.638 5.929 1.00 64.03 H new ATOM 0 HG2 GLU A 14 -12.289 -4.066 6.330 1.00 71.10 H new ATOM 0 HG3 GLU A 14 -11.868 -4.213 8.025 1.00 71.10 H new ATOM 229 N LEU A 15 -7.110 -3.884 6.751 1.00 42.42 N ATOM 230 CA LEU A 15 -5.727 -3.622 6.303 1.00 13.15 C ATOM 231 C LEU A 15 -5.131 -4.861 5.573 1.00 11.33 C ATOM 232 O LEU A 15 -4.444 -4.704 4.565 1.00 41.13 O ATOM 233 CB LEU A 15 -4.878 -3.170 7.534 1.00 13.02 C ATOM 234 CG LEU A 15 -3.338 -2.903 7.329 1.00 65.44 C ATOM 235 CD1 LEU A 15 -2.817 -1.832 8.320 1.00 75.00 C ATOM 236 CD2 LEU A 15 -2.503 -4.203 7.482 1.00 14.30 C ATOM 0 H LEU A 15 -7.217 -3.865 7.765 1.00 42.42 H new ATOM 0 HA LEU A 15 -5.715 -2.816 5.569 1.00 13.15 H new ATOM 0 HB2 LEU A 15 -5.324 -2.256 7.926 1.00 13.02 H new ATOM 0 HB3 LEU A 15 -4.982 -3.932 8.306 1.00 13.02 H new ATOM 0 HG LEU A 15 -3.217 -2.533 6.311 1.00 65.44 H new ATOM 0 HD11 LEU A 15 -1.752 -1.670 8.154 1.00 75.00 H new ATOM 0 HD12 LEU A 15 -3.355 -0.897 8.162 1.00 75.00 H new ATOM 0 HD13 LEU A 15 -2.977 -2.174 9.343 1.00 75.00 H new ATOM 0 HD21 LEU A 15 -1.447 -3.977 7.334 1.00 14.30 H new ATOM 0 HD22 LEU A 15 -2.649 -4.614 8.481 1.00 14.30 H new ATOM 0 HD23 LEU A 15 -2.826 -4.932 6.739 1.00 14.30 H new ATOM 248 N LYS A 16 -5.398 -6.087 6.092 1.00 4.13 N ATOM 249 CA LYS A 16 -4.930 -7.360 5.443 1.00 64.31 C ATOM 250 C LYS A 16 -5.599 -7.559 4.058 1.00 51.22 C ATOM 251 O LYS A 16 -4.939 -7.942 3.084 1.00 2.22 O ATOM 252 CB LYS A 16 -5.212 -8.623 6.322 1.00 20.34 C ATOM 253 CG LYS A 16 -4.315 -8.830 7.569 1.00 41.32 C ATOM 254 CD LYS A 16 -4.457 -7.712 8.625 1.00 3.13 C ATOM 255 CE LYS A 16 -4.102 -8.168 10.050 1.00 33.01 C ATOM 256 NZ LYS A 16 -4.978 -9.295 10.493 1.00 73.21 N ATOM 0 H LYS A 16 -5.930 -6.231 6.950 1.00 4.13 H new ATOM 0 HA LYS A 16 -3.851 -7.256 5.326 1.00 64.31 H new ATOM 0 HB2 LYS A 16 -6.249 -8.579 6.655 1.00 20.34 H new ATOM 0 HB3 LYS A 16 -5.118 -9.504 5.688 1.00 20.34 H new ATOM 0 HG2 LYS A 16 -4.562 -9.787 8.029 1.00 41.32 H new ATOM 0 HG3 LYS A 16 -3.274 -8.889 7.252 1.00 41.32 H new ATOM 0 HD2 LYS A 16 -3.813 -6.877 8.348 1.00 3.13 H new ATOM 0 HD3 LYS A 16 -5.482 -7.341 8.615 1.00 3.13 H new ATOM 0 HE2 LYS A 16 -3.058 -8.480 10.085 1.00 33.01 H new ATOM 0 HE3 LYS A 16 -4.207 -7.330 10.739 1.00 33.01 H new ATOM 0 HZ1 LYS A 16 -4.923 -9.392 11.527 1.00 73.21 H new ATOM 0 HZ2 LYS A 16 -5.961 -9.100 10.215 1.00 73.21 H new ATOM 0 HZ3 LYS A 16 -4.660 -10.178 10.046 1.00 73.21 H new ATOM 270 N GLU A 17 -6.922 -7.302 4.006 1.00 34.24 N ATOM 271 CA GLU A 17 -7.724 -7.331 2.755 1.00 43.22 C ATOM 272 C GLU A 17 -7.203 -6.317 1.735 1.00 42.41 C ATOM 273 O GLU A 17 -7.184 -6.572 0.534 1.00 62.23 O ATOM 274 CB GLU A 17 -9.202 -7.018 3.074 1.00 74.14 C ATOM 275 CG GLU A 17 -9.866 -8.023 4.031 1.00 62.21 C ATOM 276 CD GLU A 17 -11.312 -7.645 4.368 1.00 54.34 C ATOM 277 OE1 GLU A 17 -12.189 -7.776 3.486 1.00 32.13 O ATOM 278 OE2 GLU A 17 -11.581 -7.208 5.501 1.00 43.14 O ATOM 0 H GLU A 17 -7.472 -7.067 4.832 1.00 34.24 H new ATOM 0 HA GLU A 17 -7.637 -8.329 2.325 1.00 43.22 H new ATOM 0 HB2 GLU A 17 -9.265 -6.021 3.511 1.00 74.14 H new ATOM 0 HB3 GLU A 17 -9.766 -6.994 2.142 1.00 74.14 H new ATOM 0 HG2 GLU A 17 -9.849 -9.015 3.580 1.00 62.21 H new ATOM 0 HG3 GLU A 17 -9.285 -8.081 4.952 1.00 62.21 H new ATOM 285 N LEU A 18 -6.773 -5.174 2.248 1.00 42.23 N ATOM 286 CA LEU A 18 -6.283 -4.067 1.430 1.00 0.43 C ATOM 287 C LEU A 18 -4.913 -4.421 0.810 1.00 13.51 C ATOM 288 O LEU A 18 -4.664 -4.141 -0.361 1.00 54.53 O ATOM 289 CB LEU A 18 -6.218 -2.779 2.306 1.00 0.54 C ATOM 290 CG LEU A 18 -6.526 -1.435 1.579 1.00 40.10 C ATOM 291 CD1 LEU A 18 -7.765 -1.574 0.673 1.00 25.04 C ATOM 292 CD2 LEU A 18 -6.710 -0.286 2.601 1.00 31.51 C ATOM 0 H LEU A 18 -6.753 -4.984 3.250 1.00 42.23 H new ATOM 0 HA LEU A 18 -6.966 -3.882 0.601 1.00 0.43 H new ATOM 0 HB2 LEU A 18 -6.921 -2.891 3.132 1.00 0.54 H new ATOM 0 HB3 LEU A 18 -5.222 -2.712 2.743 1.00 0.54 H new ATOM 0 HG LEU A 18 -5.674 -1.188 0.946 1.00 40.10 H new ATOM 0 HD11 LEU A 18 -7.961 -0.624 0.176 1.00 25.04 H new ATOM 0 HD12 LEU A 18 -7.583 -2.345 -0.076 1.00 25.04 H new ATOM 0 HD13 LEU A 18 -8.628 -1.852 1.277 1.00 25.04 H new ATOM 0 HD21 LEU A 18 -6.924 0.642 2.071 1.00 31.51 H new ATOM 0 HD22 LEU A 18 -7.539 -0.522 3.268 1.00 31.51 H new ATOM 0 HD23 LEU A 18 -5.797 -0.168 3.184 1.00 31.51 H new ATOM 304 N ILE A 19 -4.043 -5.045 1.626 1.00 35.32 N ATOM 305 CA ILE A 19 -2.749 -5.609 1.173 1.00 24.45 C ATOM 306 C ILE A 19 -2.961 -6.686 0.079 1.00 50.42 C ATOM 307 O ILE A 19 -2.241 -6.713 -0.919 1.00 22.42 O ATOM 308 CB ILE A 19 -1.948 -6.203 2.405 1.00 35.32 C ATOM 309 CG1 ILE A 19 -1.471 -5.047 3.348 1.00 45.12 C ATOM 310 CG2 ILE A 19 -0.760 -7.113 1.981 1.00 21.52 C ATOM 311 CD1 ILE A 19 -0.787 -5.506 4.629 1.00 32.11 C ATOM 0 H ILE A 19 -4.215 -5.175 2.623 1.00 35.32 H new ATOM 0 HA ILE A 19 -2.160 -4.804 0.733 1.00 24.45 H new ATOM 0 HB ILE A 19 -2.636 -6.848 2.952 1.00 35.32 H new ATOM 0 HG12 ILE A 19 -0.783 -4.407 2.795 1.00 45.12 H new ATOM 0 HG13 ILE A 19 -2.333 -4.435 3.613 1.00 45.12 H new ATOM 0 HG21 ILE A 19 -0.253 -7.487 2.870 1.00 21.52 H new ATOM 0 HG22 ILE A 19 -1.136 -7.953 1.397 1.00 21.52 H new ATOM 0 HG23 ILE A 19 -0.058 -6.537 1.378 1.00 21.52 H new ATOM 0 HD11 ILE A 19 -0.493 -4.636 5.216 1.00 32.11 H new ATOM 0 HD12 ILE A 19 -1.476 -6.119 5.210 1.00 32.11 H new ATOM 0 HD13 ILE A 19 0.098 -6.091 4.379 1.00 32.11 H new ATOM 323 N GLN A 20 -3.981 -7.541 0.275 1.00 23.41 N ATOM 324 CA GLN A 20 -4.349 -8.593 -0.699 1.00 63.54 C ATOM 325 C GLN A 20 -4.770 -7.974 -2.052 1.00 22.11 C ATOM 326 O GLN A 20 -4.225 -8.335 -3.094 1.00 25.24 O ATOM 327 CB GLN A 20 -5.496 -9.486 -0.144 1.00 14.15 C ATOM 328 CG GLN A 20 -5.880 -10.665 -1.072 1.00 2.14 C ATOM 329 CD GLN A 20 -4.762 -11.700 -1.245 1.00 32.10 C ATOM 330 OE1 GLN A 20 -4.005 -11.979 -0.319 1.00 34.45 O ATOM 331 NE2 GLN A 20 -4.618 -12.244 -2.439 1.00 63.22 N ATOM 0 H GLN A 20 -4.572 -7.526 1.106 1.00 23.41 H new ATOM 0 HA GLN A 20 -3.468 -9.215 -0.861 1.00 63.54 H new ATOM 0 HB2 GLN A 20 -5.197 -9.883 0.826 1.00 14.15 H new ATOM 0 HB3 GLN A 20 -6.377 -8.866 0.023 1.00 14.15 H new ATOM 0 HG2 GLN A 20 -6.763 -11.161 -0.669 1.00 2.14 H new ATOM 0 HG3 GLN A 20 -6.154 -10.272 -2.051 1.00 2.14 H new ATOM 0 HE21 GLN A 20 -5.259 -11.997 -3.193 1.00 63.22 H new ATOM 0 HE22 GLN A 20 -3.866 -12.912 -2.608 1.00 63.22 H new ATOM 340 N ASN A 21 -5.718 -7.016 -1.997 1.00 54.02 N ATOM 341 CA ASN A 21 -6.253 -6.320 -3.196 1.00 52.42 C ATOM 342 C ASN A 21 -5.131 -5.619 -3.999 1.00 75.43 C ATOM 343 O ASN A 21 -5.043 -5.779 -5.212 1.00 60.24 O ATOM 344 CB ASN A 21 -7.346 -5.289 -2.794 1.00 14.45 C ATOM 345 CG ASN A 21 -8.690 -5.903 -2.365 1.00 10.40 C ATOM 346 OD1 ASN A 21 -9.743 -5.311 -2.583 1.00 23.01 O ATOM 347 ND2 ASN A 21 -8.686 -7.068 -1.748 1.00 61.45 N ATOM 0 H ASN A 21 -6.137 -6.700 -1.123 1.00 54.02 H new ATOM 0 HA ASN A 21 -6.701 -7.079 -3.837 1.00 52.42 H new ATOM 0 HB2 ASN A 21 -6.965 -4.678 -1.976 1.00 14.45 H new ATOM 0 HB3 ASN A 21 -7.521 -4.620 -3.637 1.00 14.45 H new ATOM 0 HD21 ASN A 21 -9.565 -7.488 -1.446 1.00 61.45 H new ATOM 0 HD22 ASN A 21 -7.804 -7.549 -1.573 1.00 61.45 H new ATOM 354 N VAL A 22 -4.267 -4.870 -3.289 1.00 62.53 N ATOM 355 CA VAL A 22 -3.130 -4.150 -3.900 1.00 72.52 C ATOM 356 C VAL A 22 -2.104 -5.122 -4.532 1.00 30.04 C ATOM 357 O VAL A 22 -1.689 -4.909 -5.656 1.00 2.32 O ATOM 358 CB VAL A 22 -2.425 -3.205 -2.855 1.00 2.03 C ATOM 359 CG1 VAL A 22 -1.091 -2.630 -3.385 1.00 64.51 C ATOM 360 CG2 VAL A 22 -3.365 -2.053 -2.447 1.00 0.24 C ATOM 0 H VAL A 22 -4.335 -4.746 -2.279 1.00 62.53 H new ATOM 0 HA VAL A 22 -3.538 -3.533 -4.701 1.00 72.52 H new ATOM 0 HB VAL A 22 -2.196 -3.816 -1.982 1.00 2.03 H new ATOM 0 HG11 VAL A 22 -0.646 -1.986 -2.627 1.00 64.51 H new ATOM 0 HG12 VAL A 22 -0.407 -3.448 -3.613 1.00 64.51 H new ATOM 0 HG13 VAL A 22 -1.278 -2.051 -4.289 1.00 64.51 H new ATOM 0 HG21 VAL A 22 -2.861 -1.411 -1.725 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -3.630 -1.470 -3.329 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -4.270 -2.463 -1.998 1.00 0.24 H new ATOM 370 N ASN A 23 -1.713 -6.190 -3.812 1.00 3.20 N ATOM 371 CA ASN A 23 -0.756 -7.206 -4.333 1.00 2.22 C ATOM 372 C ASN A 23 -1.335 -7.971 -5.550 1.00 53.42 C ATOM 373 O ASN A 23 -0.593 -8.388 -6.434 1.00 11.44 O ATOM 374 CB ASN A 23 -0.325 -8.193 -3.216 1.00 65.44 C ATOM 375 CG ASN A 23 0.598 -7.554 -2.174 1.00 11.12 C ATOM 376 OD1 ASN A 23 1.352 -6.631 -2.471 1.00 44.33 O ATOM 377 ND2 ASN A 23 0.560 -8.047 -0.952 1.00 12.40 N ATOM 0 H ASN A 23 -2.041 -6.379 -2.865 1.00 3.20 H new ATOM 0 HA ASN A 23 0.129 -6.669 -4.674 1.00 2.22 H new ATOM 0 HB2 ASN A 23 -1.214 -8.579 -2.717 1.00 65.44 H new ATOM 0 HB3 ASN A 23 0.182 -9.045 -3.668 1.00 65.44 H new ATOM 0 HD21 ASN A 23 1.166 -7.662 -0.228 1.00 12.40 H new ATOM 0 HD22 ASN A 23 -0.075 -8.814 -0.731 1.00 12.40 H new ATOM 384 N ASP A 24 -2.666 -8.140 -5.589 1.00 21.24 N ATOM 385 CA ASP A 24 -3.375 -8.722 -6.756 1.00 30.40 C ATOM 386 C ASP A 24 -3.384 -7.757 -7.962 1.00 52.42 C ATOM 387 O ASP A 24 -3.245 -8.180 -9.119 1.00 13.24 O ATOM 388 CB ASP A 24 -4.820 -9.109 -6.364 1.00 25.11 C ATOM 389 CG ASP A 24 -4.892 -10.343 -5.443 1.00 12.42 C ATOM 390 OD1 ASP A 24 -4.007 -11.230 -5.535 1.00 14.02 O ATOM 391 OD2 ASP A 24 -5.837 -10.451 -4.638 1.00 1.32 O ATOM 0 H ASP A 24 -3.285 -7.881 -4.821 1.00 21.24 H new ATOM 0 HA ASP A 24 -2.834 -9.619 -7.059 1.00 30.40 H new ATOM 0 HB2 ASP A 24 -5.292 -8.263 -5.864 1.00 25.11 H new ATOM 0 HB3 ASP A 24 -5.394 -9.306 -7.269 1.00 25.11 H new ATOM 396 N ASP A 25 -3.561 -6.466 -7.662 1.00 72.12 N ATOM 397 CA ASP A 25 -3.489 -5.380 -8.654 1.00 61.34 C ATOM 398 C ASP A 25 -2.064 -5.253 -9.244 1.00 14.12 C ATOM 399 O ASP A 25 -1.899 -5.058 -10.448 1.00 75.34 O ATOM 400 CB ASP A 25 -3.919 -4.047 -7.990 1.00 33.02 C ATOM 401 CG ASP A 25 -5.412 -3.936 -7.655 1.00 61.11 C ATOM 402 OD1 ASP A 25 -6.236 -4.671 -8.244 1.00 50.45 O ATOM 403 OD2 ASP A 25 -5.779 -3.072 -6.828 1.00 73.11 O ATOM 0 H ASP A 25 -3.760 -6.139 -6.716 1.00 72.12 H new ATOM 0 HA ASP A 25 -4.167 -5.613 -9.475 1.00 61.34 H new ATOM 0 HB2 ASP A 25 -3.346 -3.916 -7.072 1.00 33.02 H new ATOM 0 HB3 ASP A 25 -3.650 -3.225 -8.654 1.00 33.02 H new ATOM 408 N ILE A 26 -1.047 -5.397 -8.374 1.00 1.44 N ATOM 409 CA ILE A 26 0.380 -5.357 -8.760 1.00 21.14 C ATOM 410 C ILE A 26 0.722 -6.530 -9.712 1.00 31.22 C ATOM 411 O ILE A 26 1.539 -6.363 -10.602 1.00 0.24 O ATOM 412 CB ILE A 26 1.330 -5.362 -7.491 1.00 11.31 C ATOM 413 CG1 ILE A 26 1.157 -4.046 -6.658 1.00 22.44 C ATOM 414 CG2 ILE A 26 2.823 -5.578 -7.865 1.00 51.50 C ATOM 415 CD1 ILE A 26 1.926 -4.010 -5.341 1.00 32.31 C ATOM 0 H ILE A 26 -1.191 -5.546 -7.375 1.00 1.44 H new ATOM 0 HA ILE A 26 0.552 -4.421 -9.291 1.00 21.14 H new ATOM 0 HB ILE A 26 1.028 -6.210 -6.877 1.00 11.31 H new ATOM 0 HG12 ILE A 26 1.475 -3.202 -7.270 1.00 22.44 H new ATOM 0 HG13 ILE A 26 0.097 -3.905 -6.446 1.00 22.44 H new ATOM 0 HG21 ILE A 26 3.429 -5.573 -6.959 1.00 51.50 H new ATOM 0 HG22 ILE A 26 2.936 -6.536 -8.372 1.00 51.50 H new ATOM 0 HG23 ILE A 26 3.152 -4.777 -8.527 1.00 51.50 H new ATOM 0 HD11 ILE A 26 1.742 -3.060 -4.838 1.00 32.31 H new ATOM 0 HD12 ILE A 26 1.593 -4.829 -4.703 1.00 32.31 H new ATOM 0 HD13 ILE A 26 2.993 -4.115 -5.539 1.00 32.31 H new ATOM 427 N LYS A 27 0.059 -7.702 -9.533 1.00 1.21 N ATOM 428 CA LYS A 27 0.196 -8.858 -10.471 1.00 61.21 C ATOM 429 C LYS A 27 -0.198 -8.445 -11.907 1.00 45.12 C ATOM 430 O LYS A 27 0.482 -8.781 -12.886 1.00 30.31 O ATOM 431 CB LYS A 27 -0.685 -10.056 -10.021 1.00 30.23 C ATOM 432 CG LYS A 27 -0.300 -10.671 -8.663 1.00 2.41 C ATOM 433 CD LYS A 27 -1.265 -11.799 -8.228 1.00 33.32 C ATOM 434 CE LYS A 27 -0.913 -12.386 -6.850 1.00 53.41 C ATOM 435 NZ LYS A 27 -1.044 -11.384 -5.754 1.00 74.13 N ATOM 0 H LYS A 27 -0.574 -7.876 -8.752 1.00 1.21 H new ATOM 0 HA LYS A 27 1.241 -9.166 -10.457 1.00 61.21 H new ATOM 0 HB2 LYS A 27 -1.723 -9.727 -9.973 1.00 30.23 H new ATOM 0 HB3 LYS A 27 -0.632 -10.833 -10.783 1.00 30.23 H new ATOM 0 HG2 LYS A 27 0.714 -11.067 -8.722 1.00 2.41 H new ATOM 0 HG3 LYS A 27 -0.293 -9.890 -7.903 1.00 2.41 H new ATOM 0 HD2 LYS A 27 -2.283 -11.410 -8.203 1.00 33.32 H new ATOM 0 HD3 LYS A 27 -1.246 -12.595 -8.973 1.00 33.32 H new ATOM 0 HE2 LYS A 27 -1.565 -13.234 -6.642 1.00 53.41 H new ATOM 0 HE3 LYS A 27 0.108 -12.766 -6.870 1.00 53.41 H new ATOM 0 HZ1 LYS A 27 -0.653 -11.778 -4.875 1.00 74.13 H new ATOM 0 HZ2 LYS A 27 -0.522 -10.521 -6.008 1.00 74.13 H new ATOM 0 HZ3 LYS A 27 -2.048 -11.153 -5.613 1.00 74.13 H new ATOM 449 N GLU A 28 -1.298 -7.687 -11.999 1.00 42.15 N ATOM 450 CA GLU A 28 -1.821 -7.170 -13.274 1.00 1.32 C ATOM 451 C GLU A 28 -0.965 -6.017 -13.837 1.00 32.35 C ATOM 452 O GLU A 28 -1.024 -5.747 -15.038 1.00 52.12 O ATOM 453 CB GLU A 28 -3.302 -6.756 -13.123 1.00 61.33 C ATOM 454 CG GLU A 28 -4.232 -7.902 -12.662 1.00 73.34 C ATOM 455 CD GLU A 28 -4.121 -9.162 -13.543 1.00 42.25 C ATOM 456 OE1 GLU A 28 -4.617 -9.137 -14.694 1.00 35.12 O ATOM 457 OE2 GLU A 28 -3.517 -10.173 -13.104 1.00 31.42 O ATOM 0 H GLU A 28 -1.854 -7.413 -11.189 1.00 42.15 H new ATOM 0 HA GLU A 28 -1.762 -7.978 -14.003 1.00 1.32 H new ATOM 0 HB2 GLU A 28 -3.368 -5.938 -12.406 1.00 61.33 H new ATOM 0 HB3 GLU A 28 -3.661 -6.373 -14.078 1.00 61.33 H new ATOM 0 HG2 GLU A 28 -3.992 -8.164 -11.631 1.00 73.34 H new ATOM 0 HG3 GLU A 28 -5.264 -7.550 -12.670 1.00 73.34 H new ATOM 464 N VAL A 29 -0.222 -5.303 -12.966 1.00 25.04 N ATOM 465 CA VAL A 29 0.768 -4.297 -13.416 1.00 41.30 C ATOM 466 C VAL A 29 2.092 -4.967 -13.901 1.00 61.41 C ATOM 467 O VAL A 29 2.747 -4.477 -14.807 1.00 33.12 O ATOM 468 CB VAL A 29 1.123 -3.240 -12.323 1.00 73.53 C ATOM 469 CG1 VAL A 29 2.018 -2.155 -12.942 1.00 71.12 C ATOM 470 CG2 VAL A 29 -0.128 -2.604 -11.670 1.00 25.03 C ATOM 0 H VAL A 29 -0.287 -5.402 -11.953 1.00 25.04 H new ATOM 0 HA VAL A 29 0.281 -3.782 -14.244 1.00 41.30 H new ATOM 0 HB VAL A 29 1.655 -3.756 -11.524 1.00 73.53 H new ATOM 0 HG11 VAL A 29 2.269 -1.414 -12.183 1.00 71.12 H new ATOM 0 HG12 VAL A 29 2.933 -2.611 -13.321 1.00 71.12 H new ATOM 0 HG13 VAL A 29 1.488 -1.670 -13.761 1.00 71.12 H new ATOM 0 HG21 VAL A 29 0.183 -1.878 -10.919 1.00 25.03 H new ATOM 0 HG22 VAL A 29 -0.723 -2.104 -12.434 1.00 25.03 H new ATOM 0 HG23 VAL A 29 -0.727 -3.382 -11.196 1.00 25.03 H new ATOM 480 N GLU A 30 2.495 -6.082 -13.283 1.00 30.52 N ATOM 481 CA GLU A 30 3.644 -6.896 -13.778 1.00 44.42 C ATOM 482 C GLU A 30 3.336 -7.429 -15.195 1.00 32.35 C ATOM 483 O GLU A 30 4.233 -7.709 -15.995 1.00 44.14 O ATOM 484 CB GLU A 30 3.919 -8.068 -12.808 1.00 12.04 C ATOM 485 CG GLU A 30 4.315 -7.617 -11.381 1.00 52.43 C ATOM 486 CD GLU A 30 4.458 -8.773 -10.383 1.00 34.31 C ATOM 487 OE1 GLU A 30 5.570 -9.333 -10.249 1.00 72.30 O ATOM 488 OE2 GLU A 30 3.463 -9.130 -9.722 1.00 32.11 O ATOM 0 H GLU A 30 2.054 -6.452 -12.441 1.00 30.52 H new ATOM 0 HA GLU A 30 4.534 -6.269 -13.825 1.00 44.42 H new ATOM 0 HB2 GLU A 30 3.029 -8.694 -12.747 1.00 12.04 H new ATOM 0 HB3 GLU A 30 4.717 -8.687 -13.218 1.00 12.04 H new ATOM 0 HG2 GLU A 30 5.259 -7.074 -11.431 1.00 52.43 H new ATOM 0 HG3 GLU A 30 3.565 -6.919 -11.009 1.00 52.43 H new ATOM 495 N LYS A 31 2.033 -7.550 -15.468 1.00 64.22 N ATOM 496 CA LYS A 31 1.490 -7.923 -16.769 1.00 54.44 C ATOM 497 C LYS A 31 1.432 -6.682 -17.722 1.00 20.41 C ATOM 498 O LYS A 31 1.876 -6.749 -18.876 1.00 34.51 O ATOM 499 CB LYS A 31 0.085 -8.529 -16.530 1.00 23.41 C ATOM 500 CG LYS A 31 -0.474 -9.344 -17.699 1.00 0.25 C ATOM 501 CD LYS A 31 -1.860 -9.959 -17.387 1.00 10.51 C ATOM 502 CE LYS A 31 -1.820 -10.947 -16.202 1.00 74.15 C ATOM 503 NZ LYS A 31 -3.162 -11.506 -15.907 1.00 24.11 N ATOM 0 H LYS A 31 1.310 -7.386 -14.767 1.00 64.22 H new ATOM 0 HA LYS A 31 2.129 -8.658 -17.259 1.00 54.44 H new ATOM 0 HB2 LYS A 31 0.126 -9.168 -15.648 1.00 23.41 H new ATOM 0 HB3 LYS A 31 -0.610 -7.720 -16.305 1.00 23.41 H new ATOM 0 HG2 LYS A 31 -0.554 -8.704 -18.578 1.00 0.25 H new ATOM 0 HG3 LYS A 31 0.226 -10.142 -17.948 1.00 0.25 H new ATOM 0 HD2 LYS A 31 -2.566 -9.159 -17.164 1.00 10.51 H new ATOM 0 HD3 LYS A 31 -2.232 -10.475 -18.272 1.00 10.51 H new ATOM 0 HE2 LYS A 31 -1.129 -11.759 -16.429 1.00 74.15 H new ATOM 0 HE3 LYS A 31 -1.435 -10.439 -15.318 1.00 74.15 H new ATOM 0 HZ1 LYS A 31 -3.079 -12.239 -15.174 1.00 24.11 H new ATOM 0 HZ2 LYS A 31 -3.787 -10.747 -15.568 1.00 24.11 H new ATOM 0 HZ3 LYS A 31 -3.562 -11.924 -16.771 1.00 24.11 H new ATOM 517 N ASN A 32 0.889 -5.548 -17.207 1.00 42.11 N ATOM 518 CA ASN A 32 0.775 -4.246 -17.942 1.00 50.33 C ATOM 519 C ASN A 32 1.432 -3.104 -17.107 1.00 72.11 C ATOM 520 O ASN A 32 0.735 -2.441 -16.326 1.00 30.43 O ATOM 521 CB ASN A 32 -0.719 -3.882 -18.225 1.00 13.02 C ATOM 522 CG ASN A 32 -1.490 -4.921 -19.025 1.00 11.52 C ATOM 523 OD1 ASN A 32 -0.933 -5.652 -19.830 1.00 61.25 O ATOM 524 ND2 ASN A 32 -2.790 -4.977 -18.828 1.00 32.20 N ATOM 0 H ASN A 32 0.512 -5.504 -16.260 1.00 42.11 H new ATOM 0 HA ASN A 32 1.292 -4.355 -18.895 1.00 50.33 H new ATOM 0 HB2 ASN A 32 -1.227 -3.727 -17.273 1.00 13.02 H new ATOM 0 HB3 ASN A 32 -0.752 -2.934 -18.762 1.00 13.02 H new ATOM 0 HD21 ASN A 32 -3.357 -5.642 -19.354 1.00 32.20 H new ATOM 0 HD22 ASN A 32 -3.230 -4.355 -18.150 1.00 32.20 H new ATOM 531 N PRO A 33 2.799 -2.914 -17.183 1.00 22.10 N ATOM 532 CA PRO A 33 3.527 -1.882 -16.375 1.00 4.12 C ATOM 533 C PRO A 33 2.945 -0.450 -16.484 1.00 34.20 C ATOM 534 O PRO A 33 2.769 0.246 -15.477 1.00 31.21 O ATOM 535 CB PRO A 33 4.980 -1.961 -16.916 1.00 15.14 C ATOM 536 CG PRO A 33 5.109 -3.370 -17.413 1.00 62.41 C ATOM 537 CD PRO A 33 3.749 -3.730 -17.988 1.00 21.25 C ATOM 0 HA PRO A 33 3.444 -2.088 -15.308 1.00 4.12 H new ATOM 0 HB2 PRO A 33 5.147 -1.239 -17.716 1.00 15.14 H new ATOM 0 HB3 PRO A 33 5.709 -1.746 -16.134 1.00 15.14 H new ATOM 0 HG2 PRO A 33 5.888 -3.448 -18.172 1.00 62.41 H new ATOM 0 HG3 PRO A 33 5.384 -4.047 -16.604 1.00 62.41 H new ATOM 0 HD2 PRO A 33 3.686 -3.488 -19.049 1.00 21.25 H new ATOM 0 HD3 PRO A 33 3.543 -4.796 -17.892 1.00 21.25 H new ATOM 545 N GLU A 34 2.586 -0.059 -17.709 1.00 23.15 N ATOM 546 CA GLU A 34 2.096 1.300 -18.030 1.00 44.25 C ATOM 547 C GLU A 34 0.567 1.461 -17.795 1.00 43.13 C ATOM 548 O GLU A 34 -0.031 2.436 -18.274 1.00 45.21 O ATOM 549 CB GLU A 34 2.467 1.616 -19.506 1.00 64.34 C ATOM 550 CG GLU A 34 3.982 1.589 -19.794 1.00 21.44 C ATOM 551 CD GLU A 34 4.307 1.748 -21.288 1.00 21.12 C ATOM 552 OE1 GLU A 34 4.266 2.887 -21.799 1.00 35.32 O ATOM 553 OE2 GLU A 34 4.592 0.734 -21.959 1.00 45.00 O ATOM 0 H GLU A 34 2.625 -0.677 -18.520 1.00 23.15 H new ATOM 0 HA GLU A 34 2.575 2.009 -17.355 1.00 44.25 H new ATOM 0 HB2 GLU A 34 1.972 0.895 -20.156 1.00 64.34 H new ATOM 0 HB3 GLU A 34 2.076 2.600 -19.765 1.00 64.34 H new ATOM 0 HG2 GLU A 34 4.468 2.388 -19.234 1.00 21.44 H new ATOM 0 HG3 GLU A 34 4.399 0.648 -19.434 1.00 21.44 H new ATOM 560 N ASP A 35 -0.060 0.527 -17.041 1.00 21.34 N ATOM 561 CA ASP A 35 -1.502 0.590 -16.744 1.00 51.24 C ATOM 562 C ASP A 35 -1.767 1.599 -15.598 1.00 73.34 C ATOM 563 O ASP A 35 -1.646 1.273 -14.408 1.00 75.52 O ATOM 564 CB ASP A 35 -2.061 -0.813 -16.396 1.00 75.13 C ATOM 565 CG ASP A 35 -3.574 -0.898 -16.649 1.00 62.31 C ATOM 566 OD1 ASP A 35 -4.367 -0.370 -15.836 1.00 43.20 O ATOM 567 OD2 ASP A 35 -3.974 -1.447 -17.697 1.00 73.23 O ATOM 0 H ASP A 35 0.414 -0.277 -16.630 1.00 21.34 H new ATOM 0 HA ASP A 35 -2.024 0.937 -17.635 1.00 51.24 H new ATOM 0 HB2 ASP A 35 -1.549 -1.568 -16.993 1.00 75.13 H new ATOM 0 HB3 ASP A 35 -1.853 -1.039 -15.350 1.00 75.13 H new ATOM 572 N MET A 36 -2.111 2.834 -15.986 1.00 53.02 N ATOM 573 CA MET A 36 -2.291 3.969 -15.055 1.00 43.23 C ATOM 574 C MET A 36 -3.612 3.880 -14.267 1.00 41.02 C ATOM 575 O MET A 36 -3.749 4.478 -13.203 1.00 12.52 O ATOM 576 CB MET A 36 -2.214 5.285 -15.854 1.00 12.54 C ATOM 577 CG MET A 36 -0.955 5.462 -16.743 1.00 43.21 C ATOM 578 SD MET A 36 0.556 5.910 -15.846 1.00 30.10 S ATOM 579 CE MET A 36 1.043 4.409 -14.988 1.00 73.02 C ATOM 0 H MET A 36 -2.275 3.081 -16.962 1.00 53.02 H new ATOM 0 HA MET A 36 -1.492 3.936 -14.314 1.00 43.23 H new ATOM 0 HB2 MET A 36 -3.097 5.355 -16.489 1.00 12.54 H new ATOM 0 HB3 MET A 36 -2.260 6.118 -15.152 1.00 12.54 H new ATOM 0 HG2 MET A 36 -0.777 4.533 -17.284 1.00 43.21 H new ATOM 0 HG3 MET A 36 -1.159 6.231 -17.488 1.00 43.21 H new ATOM 0 HE1 MET A 36 2.072 4.505 -14.642 1.00 73.02 H new ATOM 0 HE2 MET A 36 0.386 4.249 -14.133 1.00 73.02 H new ATOM 0 HE3 MET A 36 0.967 3.560 -15.668 1.00 73.02 H new ATOM 589 N GLU A 37 -4.567 3.144 -14.832 1.00 2.11 N ATOM 590 CA GLU A 37 -5.874 2.841 -14.197 1.00 33.12 C ATOM 591 C GLU A 37 -5.682 1.948 -12.945 1.00 51.43 C ATOM 592 O GLU A 37 -6.282 2.193 -11.889 1.00 22.32 O ATOM 593 CB GLU A 37 -6.827 2.150 -15.222 1.00 1.41 C ATOM 594 CG GLU A 37 -7.347 3.053 -16.372 1.00 61.11 C ATOM 595 CD GLU A 37 -6.248 3.713 -17.232 1.00 34.33 C ATOM 596 OE1 GLU A 37 -5.435 2.982 -17.844 1.00 51.42 O ATOM 597 OE2 GLU A 37 -6.174 4.960 -17.278 1.00 63.01 O ATOM 0 H GLU A 37 -4.465 2.729 -15.758 1.00 2.11 H new ATOM 0 HA GLU A 37 -6.328 3.779 -13.878 1.00 33.12 H new ATOM 0 HB2 GLU A 37 -6.304 1.300 -15.660 1.00 1.41 H new ATOM 0 HB3 GLU A 37 -7.685 1.752 -14.681 1.00 1.41 H new ATOM 0 HG2 GLU A 37 -7.986 2.455 -17.022 1.00 61.11 H new ATOM 0 HG3 GLU A 37 -7.972 3.837 -15.944 1.00 61.11 H new ATOM 604 N TYR A 38 -4.821 0.919 -13.081 1.00 32.52 N ATOM 605 CA TYR A 38 -4.438 0.024 -11.962 1.00 0.32 C ATOM 606 C TYR A 38 -3.585 0.769 -10.910 1.00 30.44 C ATOM 607 O TYR A 38 -3.811 0.605 -9.710 1.00 44.30 O ATOM 608 CB TYR A 38 -3.712 -1.261 -12.481 1.00 72.33 C ATOM 609 CG TYR A 38 -4.643 -2.479 -12.578 1.00 2.52 C ATOM 610 CD1 TYR A 38 -5.418 -2.726 -13.707 1.00 23.20 C ATOM 611 CD2 TYR A 38 -4.774 -3.351 -11.504 1.00 71.41 C ATOM 612 CE1 TYR A 38 -6.275 -3.810 -13.763 1.00 0.44 C ATOM 613 CE2 TYR A 38 -5.633 -4.429 -11.553 1.00 41.15 C ATOM 614 CZ TYR A 38 -6.384 -4.653 -12.682 1.00 12.10 C ATOM 615 OH TYR A 38 -7.250 -5.729 -12.730 1.00 64.21 O ATOM 0 H TYR A 38 -4.371 0.683 -13.965 1.00 32.52 H new ATOM 0 HA TYR A 38 -5.357 -0.296 -11.470 1.00 0.32 H new ATOM 0 HB2 TYR A 38 -3.284 -1.058 -13.463 1.00 72.33 H new ATOM 0 HB3 TYR A 38 -2.882 -1.497 -11.815 1.00 72.33 H new ATOM 0 HD1 TYR A 38 -5.349 -2.060 -14.554 1.00 23.20 H new ATOM 0 HD2 TYR A 38 -4.190 -3.181 -10.611 1.00 71.41 H new ATOM 0 HE1 TYR A 38 -6.857 -3.994 -14.654 1.00 0.44 H new ATOM 0 HE2 TYR A 38 -5.715 -5.095 -10.707 1.00 41.15 H new ATOM 0 HH TYR A 38 -7.205 -6.223 -11.885 1.00 64.21 H new ATOM 625 N TRP A 39 -2.616 1.590 -11.365 1.00 15.20 N ATOM 626 CA TRP A 39 -1.807 2.438 -10.451 1.00 43.13 C ATOM 627 C TRP A 39 -2.659 3.515 -9.743 1.00 62.30 C ATOM 628 O TRP A 39 -2.362 3.888 -8.608 1.00 75.44 O ATOM 629 CB TRP A 39 -0.600 3.080 -11.194 1.00 71.54 C ATOM 630 CG TRP A 39 0.576 2.136 -11.395 1.00 2.00 C ATOM 631 CD1 TRP A 39 1.217 1.848 -12.565 1.00 63.04 C ATOM 632 CD2 TRP A 39 1.240 1.353 -10.379 1.00 65.22 C ATOM 633 NE1 TRP A 39 2.238 0.970 -12.341 1.00 13.31 N ATOM 634 CE2 TRP A 39 2.261 0.641 -11.009 1.00 2.32 C ATOM 635 CE3 TRP A 39 1.073 1.182 -8.999 1.00 53.31 C ATOM 636 CZ2 TRP A 39 3.112 -0.224 -10.317 1.00 73.30 C ATOM 637 CZ3 TRP A 39 1.914 0.324 -8.318 1.00 24.42 C ATOM 638 CH2 TRP A 39 2.922 -0.372 -8.980 1.00 5.12 C ATOM 0 H TRP A 39 -2.372 1.687 -12.351 1.00 15.20 H new ATOM 0 HA TRP A 39 -1.416 1.779 -9.676 1.00 43.13 H new ATOM 0 HB2 TRP A 39 -0.935 3.439 -12.167 1.00 71.54 H new ATOM 0 HB3 TRP A 39 -0.262 3.951 -10.632 1.00 71.54 H new ATOM 0 HD1 TRP A 39 0.954 2.256 -13.530 1.00 63.04 H new ATOM 0 HE1 TRP A 39 2.880 0.616 -13.050 1.00 13.31 H new ATOM 0 HE3 TRP A 39 0.295 1.715 -8.473 1.00 53.31 H new ATOM 0 HZ2 TRP A 39 3.898 -0.759 -10.830 1.00 73.30 H new ATOM 0 HZ3 TRP A 39 1.788 0.191 -7.254 1.00 24.42 H new ATOM 0 HH2 TRP A 39 3.562 -1.039 -8.422 1.00 5.12 H new ATOM 649 N ASN A 40 -3.729 3.986 -10.405 1.00 4.33 N ATOM 650 CA ASN A 40 -4.722 4.901 -9.794 1.00 54.02 C ATOM 651 C ASN A 40 -5.360 4.243 -8.545 1.00 2.51 C ATOM 652 O ASN A 40 -5.420 4.856 -7.473 1.00 63.42 O ATOM 653 CB ASN A 40 -5.783 5.315 -10.867 1.00 13.52 C ATOM 654 CG ASN A 40 -7.191 5.571 -10.330 1.00 62.20 C ATOM 655 OD1 ASN A 40 -7.531 6.664 -9.889 1.00 64.13 O ATOM 656 ND2 ASN A 40 -8.022 4.546 -10.365 1.00 22.31 N ATOM 0 H ASN A 40 -3.934 3.747 -11.375 1.00 4.33 H new ATOM 0 HA ASN A 40 -4.230 5.812 -9.452 1.00 54.02 H new ATOM 0 HB2 ASN A 40 -5.434 6.217 -11.369 1.00 13.52 H new ATOM 0 HB3 ASN A 40 -5.837 4.531 -11.622 1.00 13.52 H new ATOM 0 HD21 ASN A 40 -8.976 4.651 -10.019 1.00 22.31 H new ATOM 0 HD22 ASN A 40 -7.710 3.649 -10.738 1.00 22.31 H new ATOM 663 N LYS A 41 -5.811 2.980 -8.708 1.00 40.14 N ATOM 664 CA LYS A 41 -6.402 2.189 -7.605 1.00 33.35 C ATOM 665 C LYS A 41 -5.399 2.003 -6.445 1.00 70.24 C ATOM 666 O LYS A 41 -5.684 2.381 -5.314 1.00 33.30 O ATOM 667 CB LYS A 41 -6.863 0.799 -8.105 1.00 24.14 C ATOM 668 CG LYS A 41 -7.958 0.818 -9.194 1.00 41.44 C ATOM 669 CD LYS A 41 -8.591 -0.581 -9.397 1.00 74.42 C ATOM 670 CE LYS A 41 -7.558 -1.679 -9.719 1.00 23.24 C ATOM 671 NZ LYS A 41 -8.147 -3.039 -9.623 1.00 54.31 N ATOM 0 H LYS A 41 -5.777 2.484 -9.598 1.00 40.14 H new ATOM 0 HA LYS A 41 -7.265 2.746 -7.240 1.00 33.35 H new ATOM 0 HB2 LYS A 41 -5.996 0.266 -8.494 1.00 24.14 H new ATOM 0 HB3 LYS A 41 -7.232 0.229 -7.252 1.00 24.14 H new ATOM 0 HG2 LYS A 41 -8.734 1.531 -8.917 1.00 41.44 H new ATOM 0 HG3 LYS A 41 -7.529 1.163 -10.135 1.00 41.44 H new ATOM 0 HD2 LYS A 41 -9.137 -0.859 -8.495 1.00 74.42 H new ATOM 0 HD3 LYS A 41 -9.319 -0.528 -10.207 1.00 74.42 H new ATOM 0 HE2 LYS A 41 -7.165 -1.524 -10.724 1.00 23.24 H new ATOM 0 HE3 LYS A 41 -6.716 -1.599 -9.031 1.00 23.24 H new ATOM 0 HZ1 LYS A 41 -7.468 -3.680 -9.165 1.00 54.31 H new ATOM 0 HZ2 LYS A 41 -9.020 -3.000 -9.060 1.00 54.31 H new ATOM 0 HZ3 LYS A 41 -8.366 -3.391 -10.577 1.00 54.31 H new ATOM 685 N ILE A 42 -4.210 1.464 -6.773 1.00 22.33 N ATOM 686 CA ILE A 42 -3.146 1.135 -5.794 1.00 3.24 C ATOM 687 C ILE A 42 -2.737 2.371 -4.954 1.00 0.41 C ATOM 688 O ILE A 42 -2.586 2.274 -3.745 1.00 2.43 O ATOM 689 CB ILE A 42 -1.899 0.524 -6.540 1.00 62.13 C ATOM 690 CG1 ILE A 42 -2.299 -0.835 -7.213 1.00 51.34 C ATOM 691 CG2 ILE A 42 -0.673 0.354 -5.599 1.00 71.11 C ATOM 692 CD1 ILE A 42 -1.245 -1.446 -8.126 1.00 3.40 C ATOM 0 H ILE A 42 -3.954 1.241 -7.735 1.00 22.33 H new ATOM 0 HA ILE A 42 -3.542 0.393 -5.100 1.00 3.24 H new ATOM 0 HB ILE A 42 -1.592 1.226 -7.315 1.00 62.13 H new ATOM 0 HG12 ILE A 42 -2.537 -1.554 -6.429 1.00 51.34 H new ATOM 0 HG13 ILE A 42 -3.210 -0.681 -7.791 1.00 51.34 H new ATOM 0 HG21 ILE A 42 0.160 -0.070 -6.160 1.00 71.11 H new ATOM 0 HG22 ILE A 42 -0.384 1.326 -5.199 1.00 71.11 H new ATOM 0 HG23 ILE A 42 -0.935 -0.313 -4.778 1.00 71.11 H new ATOM 0 HD11 ILE A 42 -1.620 -2.382 -8.540 1.00 3.40 H new ATOM 0 HD12 ILE A 42 -1.022 -0.754 -8.938 1.00 3.40 H new ATOM 0 HD13 ILE A 42 -0.337 -1.640 -7.555 1.00 3.40 H new ATOM 704 N TYR A 43 -2.598 3.525 -5.621 1.00 50.22 N ATOM 705 CA TYR A 43 -2.307 4.823 -4.962 1.00 24.41 C ATOM 706 C TYR A 43 -3.376 5.173 -3.887 1.00 23.41 C ATOM 707 O TYR A 43 -3.043 5.524 -2.753 1.00 43.32 O ATOM 708 CB TYR A 43 -2.232 5.927 -6.051 1.00 61.31 C ATOM 709 CG TYR A 43 -1.998 7.352 -5.530 1.00 21.24 C ATOM 710 CD1 TYR A 43 -0.806 7.699 -4.891 1.00 25.13 C ATOM 711 CD2 TYR A 43 -2.974 8.344 -5.670 1.00 53.40 C ATOM 712 CE1 TYR A 43 -0.596 8.979 -4.418 1.00 1.34 C ATOM 713 CE2 TYR A 43 -2.762 9.624 -5.199 1.00 31.43 C ATOM 714 CZ TYR A 43 -1.575 9.936 -4.571 1.00 52.54 C ATOM 715 OH TYR A 43 -1.368 11.216 -4.098 1.00 30.33 O ATOM 0 H TYR A 43 -2.683 3.594 -6.635 1.00 50.22 H new ATOM 0 HA TYR A 43 -1.352 4.752 -4.442 1.00 24.41 H new ATOM 0 HB2 TYR A 43 -1.429 5.676 -6.744 1.00 61.31 H new ATOM 0 HB3 TYR A 43 -3.161 5.915 -6.621 1.00 61.31 H new ATOM 0 HD1 TYR A 43 -0.035 6.953 -4.765 1.00 25.13 H new ATOM 0 HD2 TYR A 43 -3.909 8.105 -6.155 1.00 53.40 H new ATOM 0 HE1 TYR A 43 0.334 9.229 -3.929 1.00 1.34 H new ATOM 0 HE2 TYR A 43 -3.524 10.379 -5.322 1.00 31.43 H new ATOM 0 HH TYR A 43 -2.156 11.766 -4.288 1.00 30.33 H new ATOM 725 N ARG A 44 -4.654 5.053 -4.274 1.00 60.45 N ATOM 726 CA ARG A 44 -5.823 5.375 -3.412 1.00 31.11 C ATOM 727 C ARG A 44 -6.058 4.335 -2.276 1.00 13.55 C ATOM 728 O ARG A 44 -6.561 4.689 -1.200 1.00 61.43 O ATOM 729 CB ARG A 44 -7.074 5.529 -4.316 1.00 52.54 C ATOM 730 CG ARG A 44 -6.993 6.745 -5.274 1.00 72.33 C ATOM 731 CD ARG A 44 -7.950 6.643 -6.476 1.00 24.32 C ATOM 732 NE ARG A 44 -9.357 6.465 -6.089 1.00 33.21 N ATOM 733 CZ ARG A 44 -10.329 6.151 -6.919 1.00 12.03 C ATOM 734 NH1 ARG A 44 -10.110 6.029 -8.194 1.00 33.13 N ATOM 735 NH2 ARG A 44 -11.514 5.968 -6.451 1.00 41.31 N ATOM 0 H ARG A 44 -4.918 4.727 -5.203 1.00 60.45 H new ATOM 0 HA ARG A 44 -5.618 6.312 -2.895 1.00 31.11 H new ATOM 0 HB2 ARG A 44 -7.203 4.620 -4.904 1.00 52.54 H new ATOM 0 HB3 ARG A 44 -7.958 5.630 -3.687 1.00 52.54 H new ATOM 0 HG2 ARG A 44 -7.219 7.653 -4.716 1.00 72.33 H new ATOM 0 HG3 ARG A 44 -5.971 6.842 -5.640 1.00 72.33 H new ATOM 0 HD2 ARG A 44 -7.859 7.545 -7.081 1.00 24.32 H new ATOM 0 HD3 ARG A 44 -7.645 5.806 -7.104 1.00 24.32 H new ATOM 0 HE ARG A 44 -9.597 6.594 -5.106 1.00 33.21 H new ATOM 0 HH11 ARG A 44 -9.172 6.177 -8.567 1.00 33.13 H new ATOM 0 HH12 ARG A 44 -10.876 5.785 -8.822 1.00 33.13 H new ATOM 0 HH21 ARG A 44 -11.688 6.067 -5.451 1.00 41.31 H new ATOM 0 HH22 ARG A 44 -12.279 5.724 -7.080 1.00 41.31 H new ATOM 749 N LEU A 45 -5.695 3.063 -2.520 1.00 31.32 N ATOM 750 CA LEU A 45 -5.822 1.974 -1.514 1.00 14.21 C ATOM 751 C LEU A 45 -4.703 2.082 -0.451 1.00 53.31 C ATOM 752 O LEU A 45 -4.953 1.940 0.751 1.00 11.14 O ATOM 753 CB LEU A 45 -5.787 0.584 -2.212 1.00 0.23 C ATOM 754 CG LEU A 45 -6.927 0.300 -3.248 1.00 74.23 C ATOM 755 CD1 LEU A 45 -6.724 -1.062 -3.955 1.00 34.04 C ATOM 756 CD2 LEU A 45 -8.324 0.397 -2.591 1.00 13.54 C ATOM 0 H LEU A 45 -5.307 2.754 -3.411 1.00 31.32 H new ATOM 0 HA LEU A 45 -6.782 2.080 -1.009 1.00 14.21 H new ATOM 0 HB2 LEU A 45 -4.829 0.480 -2.721 1.00 0.23 H new ATOM 0 HB3 LEU A 45 -5.824 -0.187 -1.442 1.00 0.23 H new ATOM 0 HG LEU A 45 -6.873 1.074 -4.014 1.00 74.23 H new ATOM 0 HD11 LEU A 45 -7.533 -1.227 -4.667 1.00 34.04 H new ATOM 0 HD12 LEU A 45 -5.771 -1.059 -4.483 1.00 34.04 H new ATOM 0 HD13 LEU A 45 -6.725 -1.861 -3.213 1.00 34.04 H new ATOM 0 HD21 LEU A 45 -9.092 0.194 -3.337 1.00 13.54 H new ATOM 0 HD22 LEU A 45 -8.399 -0.334 -1.786 1.00 13.54 H new ATOM 0 HD23 LEU A 45 -8.467 1.399 -2.186 1.00 13.54 H new ATOM 768 N VAL A 46 -3.473 2.350 -0.922 1.00 54.20 N ATOM 769 CA VAL A 46 -2.302 2.635 -0.057 1.00 13.22 C ATOM 770 C VAL A 46 -2.499 3.949 0.746 1.00 54.41 C ATOM 771 O VAL A 46 -2.037 4.063 1.883 1.00 63.10 O ATOM 772 CB VAL A 46 -0.977 2.694 -0.909 1.00 31.32 C ATOM 773 CG1 VAL A 46 0.210 3.258 -0.098 1.00 54.04 C ATOM 774 CG2 VAL A 46 -0.634 1.291 -1.484 1.00 74.12 C ATOM 0 H VAL A 46 -3.256 2.376 -1.918 1.00 54.20 H new ATOM 0 HA VAL A 46 -2.213 1.818 0.659 1.00 13.22 H new ATOM 0 HB VAL A 46 -1.154 3.379 -1.738 1.00 31.32 H new ATOM 0 HG11 VAL A 46 1.101 3.280 -0.725 1.00 54.04 H new ATOM 0 HG12 VAL A 46 -0.025 4.269 0.235 1.00 54.04 H new ATOM 0 HG13 VAL A 46 0.392 2.623 0.769 1.00 54.04 H new ATOM 0 HG21 VAL A 46 0.284 1.352 -2.069 1.00 74.12 H new ATOM 0 HG22 VAL A 46 -0.496 0.586 -0.664 1.00 74.12 H new ATOM 0 HG23 VAL A 46 -1.449 0.950 -2.122 1.00 74.12 H new ATOM 784 N HIS A 47 -3.195 4.928 0.135 1.00 10.51 N ATOM 785 CA HIS A 47 -3.633 6.170 0.818 1.00 12.43 C ATOM 786 C HIS A 47 -4.482 5.839 2.067 1.00 74.25 C ATOM 787 O HIS A 47 -4.267 6.400 3.136 1.00 12.43 O ATOM 788 CB HIS A 47 -4.438 7.061 -0.168 1.00 22.31 C ATOM 789 CG HIS A 47 -5.124 8.256 0.455 1.00 14.25 C ATOM 790 ND1 HIS A 47 -6.395 8.193 0.998 1.00 13.12 N ATOM 791 CD2 HIS A 47 -4.721 9.541 0.612 1.00 34.23 C ATOM 792 CE1 HIS A 47 -6.738 9.377 1.455 1.00 24.53 C ATOM 793 NE2 HIS A 47 -5.744 10.210 1.237 1.00 61.54 N ATOM 0 H HIS A 47 -3.471 4.884 -0.846 1.00 10.51 H new ATOM 0 HA HIS A 47 -2.749 6.717 1.147 1.00 12.43 H new ATOM 0 HB2 HIS A 47 -3.762 7.415 -0.946 1.00 22.31 H new ATOM 0 HB3 HIS A 47 -5.192 6.444 -0.657 1.00 22.31 H new ATOM 0 HD2 HIS A 47 -3.774 9.959 0.304 1.00 34.23 H new ATOM 0 HE1 HIS A 47 -7.677 9.624 1.929 1.00 24.53 H new ATOM 0 HE2 HIS A 47 -5.735 11.198 1.492 1.00 61.54 H new ATOM 802 N THR A 48 -5.439 4.907 1.904 1.00 25.30 N ATOM 803 CA THR A 48 -6.303 4.441 3.010 1.00 23.20 C ATOM 804 C THR A 48 -5.468 3.748 4.124 1.00 51.03 C ATOM 805 O THR A 48 -5.692 4.000 5.307 1.00 3.13 O ATOM 806 CB THR A 48 -7.423 3.482 2.484 1.00 62.24 C ATOM 807 OG1 THR A 48 -8.184 4.156 1.462 1.00 74.41 O ATOM 808 CG2 THR A 48 -8.378 3.014 3.606 1.00 22.25 C ATOM 0 H THR A 48 -5.636 4.457 1.010 1.00 25.30 H new ATOM 0 HA THR A 48 -6.782 5.319 3.444 1.00 23.20 H new ATOM 0 HB THR A 48 -6.932 2.596 2.082 1.00 62.24 H new ATOM 0 HG1 THR A 48 -7.617 4.304 0.676 1.00 74.41 H new ATOM 0 HG21 THR A 48 -9.135 2.352 3.187 1.00 22.25 H new ATOM 0 HG22 THR A 48 -7.810 2.480 4.368 1.00 22.25 H new ATOM 0 HG23 THR A 48 -8.863 3.880 4.056 1.00 22.25 H new ATOM 816 N MET A 49 -4.477 2.907 3.725 1.00 35.42 N ATOM 817 CA MET A 49 -3.527 2.250 4.681 1.00 11.34 C ATOM 818 C MET A 49 -2.719 3.297 5.481 1.00 14.13 C ATOM 819 O MET A 49 -2.523 3.161 6.693 1.00 71.01 O ATOM 820 CB MET A 49 -2.510 1.344 3.941 1.00 60.54 C ATOM 821 CG MET A 49 -3.108 0.293 3.025 1.00 11.43 C ATOM 822 SD MET A 49 -1.827 -0.631 2.160 1.00 70.20 S ATOM 823 CE MET A 49 -2.805 -1.614 1.042 1.00 35.21 C ATOM 0 H MET A 49 -4.310 2.664 2.749 1.00 35.42 H new ATOM 0 HA MET A 49 -4.141 1.652 5.354 1.00 11.34 H new ATOM 0 HB2 MET A 49 -1.848 1.979 3.352 1.00 60.54 H new ATOM 0 HB3 MET A 49 -1.891 0.842 4.684 1.00 60.54 H new ATOM 0 HG2 MET A 49 -3.722 -0.393 3.608 1.00 11.43 H new ATOM 0 HG3 MET A 49 -3.766 0.772 2.300 1.00 11.43 H new ATOM 0 HE1 MET A 49 -2.147 -2.146 0.355 1.00 35.21 H new ATOM 0 HE2 MET A 49 -3.394 -2.333 1.610 1.00 35.21 H new ATOM 0 HE3 MET A 49 -3.473 -0.965 0.476 1.00 35.21 H new ATOM 833 N LYS A 50 -2.239 4.318 4.749 1.00 2.24 N ATOM 834 CA LYS A 50 -1.427 5.422 5.292 1.00 23.44 C ATOM 835 C LYS A 50 -2.219 6.198 6.358 1.00 21.41 C ATOM 836 O LYS A 50 -1.752 6.374 7.474 1.00 65.21 O ATOM 837 CB LYS A 50 -1.000 6.373 4.145 1.00 72.14 C ATOM 838 CG LYS A 50 -0.084 7.543 4.576 1.00 14.32 C ATOM 839 CD LYS A 50 0.175 8.552 3.431 1.00 4.32 C ATOM 840 CE LYS A 50 -1.120 9.238 2.947 1.00 14.23 C ATOM 841 NZ LYS A 50 -1.739 10.091 3.996 1.00 50.13 N ATOM 0 H LYS A 50 -2.407 4.401 3.746 1.00 2.24 H new ATOM 0 HA LYS A 50 -0.535 5.005 5.761 1.00 23.44 H new ATOM 0 HB2 LYS A 50 -0.485 5.790 3.382 1.00 72.14 H new ATOM 0 HB3 LYS A 50 -1.896 6.784 3.681 1.00 72.14 H new ATOM 0 HG2 LYS A 50 -0.539 8.064 5.418 1.00 14.32 H new ATOM 0 HG3 LYS A 50 0.868 7.144 4.925 1.00 14.32 H new ATOM 0 HD2 LYS A 50 0.879 9.311 3.772 1.00 4.32 H new ATOM 0 HD3 LYS A 50 0.644 8.035 2.594 1.00 4.32 H new ATOM 0 HE2 LYS A 50 -0.899 9.848 2.071 1.00 14.23 H new ATOM 0 HE3 LYS A 50 -1.835 8.477 2.633 1.00 14.23 H new ATOM 0 HZ1 LYS A 50 -2.748 10.224 3.784 1.00 50.13 H new ATOM 0 HZ2 LYS A 50 -1.637 9.630 4.923 1.00 50.13 H new ATOM 0 HZ3 LYS A 50 -1.265 11.016 4.016 1.00 50.13 H new ATOM 855 N GLU A 51 -3.439 6.613 5.989 1.00 52.23 N ATOM 856 CA GLU A 51 -4.393 7.290 6.896 1.00 42.40 C ATOM 857 C GLU A 51 -4.632 6.475 8.200 1.00 61.34 C ATOM 858 O GLU A 51 -4.611 7.034 9.291 1.00 55.51 O ATOM 859 CB GLU A 51 -5.748 7.551 6.141 1.00 41.21 C ATOM 860 CG GLU A 51 -6.007 9.024 5.738 1.00 34.10 C ATOM 861 CD GLU A 51 -4.871 9.684 4.927 1.00 75.40 C ATOM 862 OE1 GLU A 51 -4.477 9.142 3.877 1.00 4.44 O ATOM 863 OE2 GLU A 51 -4.377 10.761 5.323 1.00 3.45 O ATOM 0 H GLU A 51 -3.801 6.489 5.043 1.00 52.23 H new ATOM 0 HA GLU A 51 -3.959 8.244 7.194 1.00 42.40 H new ATOM 0 HB2 GLU A 51 -5.768 6.936 5.241 1.00 41.21 H new ATOM 0 HB3 GLU A 51 -6.569 7.215 6.775 1.00 41.21 H new ATOM 0 HG2 GLU A 51 -6.926 9.069 5.153 1.00 34.10 H new ATOM 0 HG3 GLU A 51 -6.176 9.609 6.642 1.00 34.10 H new ATOM 870 N ILE A 52 -4.829 5.152 8.054 1.00 33.44 N ATOM 871 CA ILE A 52 -5.010 4.212 9.195 1.00 5.32 C ATOM 872 C ILE A 52 -3.815 4.267 10.186 1.00 5.02 C ATOM 873 O ILE A 52 -4.002 4.536 11.377 1.00 42.30 O ATOM 874 CB ILE A 52 -5.206 2.731 8.658 1.00 44.54 C ATOM 875 CG1 ILE A 52 -6.602 2.567 7.966 1.00 54.25 C ATOM 876 CG2 ILE A 52 -4.989 1.657 9.762 1.00 25.44 C ATOM 877 CD1 ILE A 52 -6.809 1.235 7.251 1.00 13.04 C ATOM 0 H ILE A 52 -4.869 4.696 7.143 1.00 33.44 H new ATOM 0 HA ILE A 52 -5.903 4.522 9.738 1.00 5.32 H new ATOM 0 HB ILE A 52 -4.431 2.561 7.910 1.00 44.54 H new ATOM 0 HG12 ILE A 52 -7.381 2.684 8.719 1.00 54.25 H new ATOM 0 HG13 ILE A 52 -6.732 3.374 7.245 1.00 54.25 H new ATOM 0 HG21 ILE A 52 -5.136 0.664 9.337 1.00 25.44 H new ATOM 0 HG22 ILE A 52 -3.975 1.738 10.154 1.00 25.44 H new ATOM 0 HG23 ILE A 52 -5.704 1.816 10.570 1.00 25.44 H new ATOM 0 HD11 ILE A 52 -7.802 1.213 6.803 1.00 13.04 H new ATOM 0 HD12 ILE A 52 -6.056 1.120 6.471 1.00 13.04 H new ATOM 0 HD13 ILE A 52 -6.716 0.419 7.968 1.00 13.04 H new ATOM 889 N THR A 53 -2.595 4.018 9.687 1.00 64.24 N ATOM 890 CA THR A 53 -1.382 3.967 10.539 1.00 2.31 C ATOM 891 C THR A 53 -0.993 5.362 11.111 1.00 31.44 C ATOM 892 O THR A 53 -0.451 5.447 12.213 1.00 44.52 O ATOM 893 CB THR A 53 -0.177 3.304 9.802 1.00 51.44 C ATOM 894 OG1 THR A 53 0.984 3.338 10.622 1.00 51.30 O ATOM 895 CG2 THR A 53 0.145 3.967 8.465 1.00 41.42 C ATOM 0 H THR A 53 -2.415 3.848 8.698 1.00 64.24 H new ATOM 0 HA THR A 53 -1.638 3.335 11.389 1.00 2.31 H new ATOM 0 HB THR A 53 -0.474 2.275 9.600 1.00 51.44 H new ATOM 0 HG1 THR A 53 1.395 4.226 10.571 1.00 51.30 H new ATOM 0 HG21 THR A 53 0.992 3.460 8.002 1.00 41.42 H new ATOM 0 HG22 THR A 53 -0.722 3.900 7.807 1.00 41.42 H new ATOM 0 HG23 THR A 53 0.395 5.015 8.629 1.00 41.42 H new ATOM 903 N GLU A 54 -1.311 6.450 10.374 1.00 14.43 N ATOM 904 CA GLU A 54 -1.124 7.844 10.864 1.00 41.23 C ATOM 905 C GLU A 54 -2.093 8.152 12.033 1.00 1.30 C ATOM 906 O GLU A 54 -1.712 8.805 13.011 1.00 2.15 O ATOM 907 CB GLU A 54 -1.333 8.876 9.718 1.00 61.01 C ATOM 908 CG GLU A 54 -0.264 8.835 8.610 1.00 11.05 C ATOM 909 CD GLU A 54 -0.537 9.823 7.456 1.00 73.22 C ATOM 910 OE1 GLU A 54 -1.628 9.752 6.848 1.00 15.10 O ATOM 911 OE2 GLU A 54 0.332 10.672 7.148 1.00 31.20 O ATOM 0 H GLU A 54 -1.700 6.394 9.433 1.00 14.43 H new ATOM 0 HA GLU A 54 -0.099 7.930 11.224 1.00 41.23 H new ATOM 0 HB2 GLU A 54 -2.310 8.704 9.267 1.00 61.01 H new ATOM 0 HB3 GLU A 54 -1.352 9.877 10.148 1.00 61.01 H new ATOM 0 HG2 GLU A 54 0.709 9.058 9.047 1.00 11.05 H new ATOM 0 HG3 GLU A 54 -0.208 7.824 8.207 1.00 11.05 H new ATOM 918 N THR A 55 -3.347 7.663 11.919 1.00 4.41 N ATOM 919 CA THR A 55 -4.383 7.820 12.977 1.00 43.11 C ATOM 920 C THR A 55 -4.133 6.867 14.173 1.00 41.00 C ATOM 921 O THR A 55 -4.645 7.100 15.267 1.00 31.41 O ATOM 922 CB THR A 55 -5.839 7.617 12.424 1.00 51.02 C ATOM 923 OG1 THR A 55 -5.994 6.323 11.834 1.00 41.52 O ATOM 924 CG2 THR A 55 -6.222 8.708 11.402 1.00 65.12 C ATOM 0 H THR A 55 -3.673 7.151 11.099 1.00 4.41 H new ATOM 0 HA THR A 55 -4.298 8.848 13.329 1.00 43.11 H new ATOM 0 HB THR A 55 -6.513 7.698 13.277 1.00 51.02 H new ATOM 0 HG1 THR A 55 -5.126 5.868 11.810 1.00 41.52 H new ATOM 0 HG21 THR A 55 -7.236 8.531 11.044 1.00 65.12 H new ATOM 0 HG22 THR A 55 -6.171 9.687 11.879 1.00 65.12 H new ATOM 0 HG23 THR A 55 -5.530 8.678 10.561 1.00 65.12 H new ATOM 932 N MET A 56 -3.362 5.781 13.945 1.00 51.03 N ATOM 933 CA MET A 56 -2.848 4.903 15.033 1.00 45.23 C ATOM 934 C MET A 56 -1.556 5.489 15.677 1.00 3.42 C ATOM 935 O MET A 56 -1.176 5.093 16.785 1.00 53.21 O ATOM 936 CB MET A 56 -2.575 3.466 14.503 1.00 12.02 C ATOM 937 CG MET A 56 -3.827 2.657 14.125 1.00 1.45 C ATOM 938 SD MET A 56 -3.418 0.966 13.622 1.00 21.24 S ATOM 939 CE MET A 56 -5.045 0.238 13.415 1.00 24.14 C ATOM 0 H MET A 56 -3.077 5.485 13.011 1.00 51.03 H new ATOM 0 HA MET A 56 -3.619 4.854 15.802 1.00 45.23 H new ATOM 0 HB2 MET A 56 -1.929 3.536 13.627 1.00 12.02 H new ATOM 0 HB3 MET A 56 -2.022 2.915 15.264 1.00 12.02 H new ATOM 0 HG2 MET A 56 -4.509 2.627 14.975 1.00 1.45 H new ATOM 0 HG3 MET A 56 -4.352 3.160 13.312 1.00 1.45 H new ATOM 0 HE1 MET A 56 -4.997 -0.829 13.635 1.00 24.14 H new ATOM 0 HE2 MET A 56 -5.748 0.718 14.096 1.00 24.14 H new ATOM 0 HE3 MET A 56 -5.380 0.382 12.388 1.00 24.14 H new ATOM 949 N GLY A 57 -0.884 6.415 14.958 1.00 45.24 N ATOM 950 CA GLY A 57 0.320 7.106 15.465 1.00 74.11 C ATOM 951 C GLY A 57 1.651 6.463 15.029 1.00 72.15 C ATOM 952 O GLY A 57 2.727 6.928 15.425 1.00 71.55 O ATOM 0 H GLY A 57 -1.158 6.702 14.018 1.00 45.24 H new ATOM 0 HA2 GLY A 57 0.301 8.141 15.124 1.00 74.11 H new ATOM 0 HA3 GLY A 57 0.280 7.128 16.554 1.00 74.11 H new ATOM 956 N PHE A 58 1.580 5.395 14.213 1.00 62.22 N ATOM 957 CA PHE A 58 2.767 4.651 13.731 1.00 64.44 C ATOM 958 C PHE A 58 3.458 5.377 12.555 1.00 51.24 C ATOM 959 O PHE A 58 3.074 5.211 11.397 1.00 13.22 O ATOM 960 CB PHE A 58 2.355 3.213 13.333 1.00 21.53 C ATOM 961 CG PHE A 58 2.081 2.292 14.511 1.00 2.23 C ATOM 962 CD1 PHE A 58 3.132 1.662 15.176 1.00 60.21 C ATOM 963 CD2 PHE A 58 0.784 2.074 14.968 1.00 60.53 C ATOM 964 CE1 PHE A 58 2.890 0.836 16.252 1.00 12.41 C ATOM 965 CE2 PHE A 58 0.543 1.249 16.046 1.00 13.13 C ATOM 966 CZ PHE A 58 1.598 0.635 16.690 1.00 4.55 C ATOM 0 H PHE A 58 0.697 5.020 13.866 1.00 62.22 H new ATOM 0 HA PHE A 58 3.493 4.601 14.542 1.00 64.44 H new ATOM 0 HB2 PHE A 58 1.462 3.263 12.710 1.00 21.53 H new ATOM 0 HB3 PHE A 58 3.146 2.777 12.722 1.00 21.53 H new ATOM 0 HD1 PHE A 58 4.147 1.823 14.844 1.00 60.21 H new ATOM 0 HD2 PHE A 58 -0.044 2.558 14.471 1.00 60.53 H new ATOM 0 HE1 PHE A 58 3.712 0.346 16.752 1.00 12.41 H new ATOM 0 HE2 PHE A 58 -0.469 1.084 16.386 1.00 13.13 H new ATOM 0 HZ PHE A 58 1.411 -0.005 17.540 1.00 4.55 H new ATOM 976 N SER A 59 4.482 6.184 12.877 1.00 11.11 N ATOM 977 CA SER A 59 5.259 6.953 11.873 1.00 23.11 C ATOM 978 C SER A 59 6.156 6.040 11.004 1.00 1.40 C ATOM 979 O SER A 59 6.346 6.308 9.817 1.00 34.23 O ATOM 980 CB SER A 59 6.130 8.016 12.571 1.00 41.51 C ATOM 981 OG SER A 59 5.354 8.853 13.415 1.00 73.30 O ATOM 0 H SER A 59 4.799 6.326 13.836 1.00 11.11 H new ATOM 0 HA SER A 59 4.538 7.438 11.215 1.00 23.11 H new ATOM 0 HB2 SER A 59 6.905 7.524 13.158 1.00 41.51 H new ATOM 0 HB3 SER A 59 6.636 8.623 11.820 1.00 41.51 H new ATOM 0 HG SER A 59 5.936 9.515 13.844 1.00 73.30 H new ATOM 987 N SER A 60 6.712 4.970 11.619 1.00 63.14 N ATOM 988 CA SER A 60 7.582 3.983 10.914 1.00 50.51 C ATOM 989 C SER A 60 6.803 3.228 9.814 1.00 1.04 C ATOM 990 O SER A 60 7.275 3.107 8.674 1.00 14.43 O ATOM 991 CB SER A 60 8.188 2.968 11.911 1.00 20.12 C ATOM 992 OG SER A 60 9.006 2.002 11.254 1.00 70.41 O ATOM 0 H SER A 60 6.576 4.762 12.608 1.00 63.14 H new ATOM 0 HA SER A 60 8.389 4.545 10.444 1.00 50.51 H new ATOM 0 HB2 SER A 60 8.781 3.500 12.655 1.00 20.12 H new ATOM 0 HB3 SER A 60 7.385 2.461 12.446 1.00 20.12 H new ATOM 0 HG SER A 60 9.372 1.379 11.916 1.00 70.41 H new ATOM 998 N VAL A 61 5.600 2.736 10.170 1.00 44.31 N ATOM 999 CA VAL A 61 4.700 2.059 9.213 1.00 2.25 C ATOM 1000 C VAL A 61 4.245 3.064 8.125 1.00 20.21 C ATOM 1001 O VAL A 61 4.379 2.798 6.930 1.00 14.31 O ATOM 1002 CB VAL A 61 3.435 1.436 9.917 1.00 63.20 C ATOM 1003 CG1 VAL A 61 2.621 0.546 8.934 1.00 64.30 C ATOM 1004 CG2 VAL A 61 3.810 0.662 11.211 1.00 64.42 C ATOM 0 H VAL A 61 5.227 2.795 11.118 1.00 44.31 H new ATOM 0 HA VAL A 61 5.261 1.240 8.762 1.00 2.25 H new ATOM 0 HB VAL A 61 2.795 2.265 10.219 1.00 63.20 H new ATOM 0 HG11 VAL A 61 1.755 0.131 9.450 1.00 64.30 H new ATOM 0 HG12 VAL A 61 2.286 1.149 8.090 1.00 64.30 H new ATOM 0 HG13 VAL A 61 3.251 -0.267 8.572 1.00 64.30 H new ATOM 0 HG21 VAL A 61 2.908 0.250 11.663 1.00 64.42 H new ATOM 0 HG22 VAL A 61 4.495 -0.149 10.964 1.00 64.42 H new ATOM 0 HG23 VAL A 61 4.290 1.341 11.915 1.00 64.42 H new ATOM 1014 N ALA A 62 3.768 4.250 8.580 1.00 62.53 N ATOM 1015 CA ALA A 62 3.298 5.347 7.691 1.00 64.11 C ATOM 1016 C ALA A 62 4.357 5.774 6.661 1.00 31.12 C ATOM 1017 O ALA A 62 4.006 6.148 5.550 1.00 74.44 O ATOM 1018 CB ALA A 62 2.844 6.568 8.510 1.00 72.21 C ATOM 0 H ALA A 62 3.698 4.474 9.573 1.00 62.53 H new ATOM 0 HA ALA A 62 2.447 4.946 7.140 1.00 64.11 H new ATOM 0 HB1 ALA A 62 2.506 7.354 7.835 1.00 72.21 H new ATOM 0 HB2 ALA A 62 2.026 6.280 9.170 1.00 72.21 H new ATOM 0 HB3 ALA A 62 3.678 6.937 9.107 1.00 72.21 H new ATOM 1024 N LYS A 63 5.645 5.707 7.054 1.00 73.34 N ATOM 1025 CA LYS A 63 6.784 6.003 6.160 1.00 11.23 C ATOM 1026 C LYS A 63 6.805 5.052 4.939 1.00 3.24 C ATOM 1027 O LYS A 63 6.954 5.503 3.799 1.00 70.42 O ATOM 1028 CB LYS A 63 8.125 5.908 6.937 1.00 74.00 C ATOM 1029 CG LYS A 63 9.378 6.212 6.079 1.00 43.54 C ATOM 1030 CD LYS A 63 10.696 6.109 6.878 1.00 5.04 C ATOM 1031 CE LYS A 63 11.937 6.357 6.001 1.00 13.23 C ATOM 1032 NZ LYS A 63 13.199 6.220 6.769 1.00 71.14 N ATOM 0 H LYS A 63 5.925 5.446 7.999 1.00 73.34 H new ATOM 0 HA LYS A 63 6.660 7.022 5.792 1.00 11.23 H new ATOM 0 HB2 LYS A 63 8.096 6.603 7.776 1.00 74.00 H new ATOM 0 HB3 LYS A 63 8.219 4.906 7.356 1.00 74.00 H new ATOM 0 HG2 LYS A 63 9.414 5.518 5.239 1.00 43.54 H new ATOM 0 HG3 LYS A 63 9.291 7.215 5.661 1.00 43.54 H new ATOM 0 HD2 LYS A 63 10.681 6.832 7.693 1.00 5.04 H new ATOM 0 HD3 LYS A 63 10.767 5.120 7.331 1.00 5.04 H new ATOM 0 HE2 LYS A 63 11.940 5.651 5.170 1.00 13.23 H new ATOM 0 HE3 LYS A 63 11.882 7.357 5.570 1.00 13.23 H new ATOM 0 HZ1 LYS A 63 14.009 6.395 6.140 1.00 71.14 H new ATOM 0 HZ2 LYS A 63 13.209 6.910 7.547 1.00 71.14 H new ATOM 0 HZ3 LYS A 63 13.265 5.258 7.159 1.00 71.14 H new ATOM 1046 N VAL A 64 6.617 3.741 5.195 1.00 40.22 N ATOM 1047 CA VAL A 64 6.594 2.698 4.137 1.00 31.24 C ATOM 1048 C VAL A 64 5.466 2.968 3.101 1.00 63.32 C ATOM 1049 O VAL A 64 5.688 2.892 1.893 1.00 2.23 O ATOM 1050 CB VAL A 64 6.413 1.254 4.750 1.00 31.11 C ATOM 1051 CG1 VAL A 64 6.459 0.160 3.651 1.00 3.41 C ATOM 1052 CG2 VAL A 64 7.460 0.969 5.859 1.00 32.40 C ATOM 0 H VAL A 64 6.477 3.372 6.136 1.00 40.22 H new ATOM 0 HA VAL A 64 7.558 2.743 3.630 1.00 31.24 H new ATOM 0 HB VAL A 64 5.425 1.223 5.210 1.00 31.11 H new ATOM 0 HG11 VAL A 64 6.331 -0.821 4.109 1.00 3.41 H new ATOM 0 HG12 VAL A 64 5.658 0.332 2.932 1.00 3.41 H new ATOM 0 HG13 VAL A 64 7.420 0.199 3.139 1.00 3.41 H new ATOM 0 HG21 VAL A 64 7.304 -0.034 6.257 1.00 32.40 H new ATOM 0 HG22 VAL A 64 8.463 1.041 5.439 1.00 32.40 H new ATOM 0 HG23 VAL A 64 7.349 1.699 6.661 1.00 32.40 H new ATOM 1062 N LEU A 65 4.271 3.314 3.598 1.00 51.13 N ATOM 1063 CA LEU A 65 3.103 3.648 2.743 1.00 34.22 C ATOM 1064 C LEU A 65 3.295 5.021 2.052 1.00 54.12 C ATOM 1065 O LEU A 65 2.851 5.223 0.919 1.00 63.45 O ATOM 1066 CB LEU A 65 1.782 3.632 3.576 1.00 15.44 C ATOM 1067 CG LEU A 65 1.277 2.238 4.085 1.00 0.42 C ATOM 1068 CD1 LEU A 65 1.045 1.260 2.916 1.00 3.40 C ATOM 1069 CD2 LEU A 65 2.216 1.628 5.132 1.00 71.23 C ATOM 0 H LEU A 65 4.078 3.373 4.598 1.00 51.13 H new ATOM 0 HA LEU A 65 3.028 2.886 1.967 1.00 34.22 H new ATOM 0 HB2 LEU A 65 1.920 4.279 4.442 1.00 15.44 H new ATOM 0 HB3 LEU A 65 0.994 4.077 2.969 1.00 15.44 H new ATOM 0 HG LEU A 65 0.319 2.413 4.574 1.00 0.42 H new ATOM 0 HD11 LEU A 65 0.695 0.304 3.305 1.00 3.40 H new ATOM 0 HD12 LEU A 65 0.296 1.672 2.240 1.00 3.40 H new ATOM 0 HD13 LEU A 65 1.979 1.112 2.375 1.00 3.40 H new ATOM 0 HD21 LEU A 65 1.824 0.663 5.454 1.00 71.23 H new ATOM 0 HD22 LEU A 65 3.206 1.491 4.697 1.00 71.23 H new ATOM 0 HD23 LEU A 65 2.287 2.296 5.991 1.00 71.23 H new ATOM 1081 N HIS A 66 3.999 5.937 2.738 1.00 74.43 N ATOM 1082 CA HIS A 66 4.277 7.299 2.234 1.00 63.12 C ATOM 1083 C HIS A 66 5.251 7.254 1.032 1.00 34.41 C ATOM 1084 O HIS A 66 5.192 8.122 0.150 1.00 34.13 O ATOM 1085 CB HIS A 66 4.847 8.177 3.374 1.00 54.13 C ATOM 1086 CG HIS A 66 4.870 9.649 3.081 1.00 44.04 C ATOM 1087 ND1 HIS A 66 5.994 10.323 2.662 1.00 3.43 N ATOM 1088 CD2 HIS A 66 3.884 10.577 3.147 1.00 32.11 C ATOM 1089 CE1 HIS A 66 5.703 11.593 2.489 1.00 14.11 C ATOM 1090 NE2 HIS A 66 4.432 11.775 2.772 1.00 10.45 N ATOM 0 H HIS A 66 4.394 5.756 3.661 1.00 74.43 H new ATOM 0 HA HIS A 66 3.343 7.741 1.887 1.00 63.12 H new ATOM 0 HB2 HIS A 66 4.256 8.009 4.274 1.00 54.13 H new ATOM 0 HB3 HIS A 66 5.863 7.848 3.594 1.00 54.13 H new ATOM 0 HD2 HIS A 66 2.859 10.404 3.440 1.00 32.11 H new ATOM 0 HE1 HIS A 66 6.393 12.359 2.168 1.00 14.11 H new ATOM 0 HE2 HIS A 66 3.935 12.664 2.721 1.00 10.45 H new ATOM 1099 N THR A 67 6.144 6.229 1.004 1.00 72.24 N ATOM 1100 CA THR A 67 7.079 6.041 -0.141 1.00 14.01 C ATOM 1101 C THR A 67 6.297 5.615 -1.395 1.00 71.42 C ATOM 1102 O THR A 67 6.600 6.068 -2.498 1.00 3.15 O ATOM 1103 CB THR A 67 8.231 4.991 0.105 1.00 3.23 C ATOM 1104 OG1 THR A 67 7.723 3.645 0.147 1.00 14.22 O ATOM 1105 CG2 THR A 67 9.011 5.258 1.392 1.00 32.21 C ATOM 0 H THR A 67 6.237 5.533 1.744 1.00 72.24 H new ATOM 0 HA THR A 67 7.561 7.010 -0.270 1.00 14.01 H new ATOM 0 HB THR A 67 8.909 5.104 -0.741 1.00 3.23 H new ATOM 0 HG1 THR A 67 7.016 3.583 0.823 1.00 14.22 H new ATOM 0 HG21 THR A 67 9.790 4.504 1.508 1.00 32.21 H new ATOM 0 HG22 THR A 67 9.467 6.247 1.343 1.00 32.21 H new ATOM 0 HG23 THR A 67 8.333 5.214 2.244 1.00 32.21 H new ATOM 1113 N ILE A 68 5.265 4.766 -1.191 1.00 33.34 N ATOM 1114 CA ILE A 68 4.422 4.228 -2.288 1.00 72.13 C ATOM 1115 C ILE A 68 3.588 5.355 -2.939 1.00 15.11 C ATOM 1116 O ILE A 68 3.446 5.404 -4.156 1.00 14.31 O ATOM 1117 CB ILE A 68 3.437 3.096 -1.794 1.00 50.21 C ATOM 1118 CG1 ILE A 68 4.128 2.100 -0.809 1.00 51.41 C ATOM 1119 CG2 ILE A 68 2.805 2.335 -2.988 1.00 70.42 C ATOM 1120 CD1 ILE A 68 5.397 1.465 -1.320 1.00 34.50 C ATOM 0 H ILE A 68 4.992 4.434 -0.266 1.00 33.34 H new ATOM 0 HA ILE A 68 5.109 3.795 -3.016 1.00 72.13 H new ATOM 0 HB ILE A 68 2.638 3.596 -1.246 1.00 50.21 H new ATOM 0 HG12 ILE A 68 4.353 2.628 0.118 1.00 51.41 H new ATOM 0 HG13 ILE A 68 3.420 1.309 -0.561 1.00 51.41 H new ATOM 0 HG21 ILE A 68 2.133 1.563 -2.613 1.00 70.42 H new ATOM 0 HG22 ILE A 68 2.245 3.034 -3.609 1.00 70.42 H new ATOM 0 HG23 ILE A 68 3.593 1.872 -3.583 1.00 70.42 H new ATOM 0 HD11 ILE A 68 5.798 0.792 -0.562 1.00 34.50 H new ATOM 0 HD12 ILE A 68 5.182 0.902 -2.228 1.00 34.50 H new ATOM 0 HD13 ILE A 68 6.130 2.242 -1.539 1.00 34.50 H new ATOM 1132 N MET A 69 3.052 6.254 -2.094 1.00 1.31 N ATOM 1133 CA MET A 69 2.274 7.439 -2.537 1.00 43.31 C ATOM 1134 C MET A 69 3.064 8.291 -3.559 1.00 62.54 C ATOM 1135 O MET A 69 2.585 8.564 -4.657 1.00 31.32 O ATOM 1136 CB MET A 69 1.914 8.311 -1.312 1.00 53.11 C ATOM 1137 CG MET A 69 1.029 7.621 -0.272 1.00 34.10 C ATOM 1138 SD MET A 69 -0.699 7.486 -0.776 1.00 43.51 S ATOM 1139 CE MET A 69 -1.178 9.210 -0.843 1.00 33.45 C ATOM 0 H MET A 69 3.143 6.184 -1.080 1.00 1.31 H new ATOM 0 HA MET A 69 1.367 7.081 -3.024 1.00 43.31 H new ATOM 0 HB2 MET A 69 2.837 8.632 -0.828 1.00 53.11 H new ATOM 0 HB3 MET A 69 1.407 9.211 -1.660 1.00 53.11 H new ATOM 0 HG2 MET A 69 1.422 6.623 -0.077 1.00 34.10 H new ATOM 0 HG3 MET A 69 1.084 8.174 0.665 1.00 34.10 H new ATOM 0 HE1 MET A 69 -1.810 9.446 0.013 1.00 33.45 H new ATOM 0 HE2 MET A 69 -0.286 9.837 -0.819 1.00 33.45 H new ATOM 0 HE3 MET A 69 -1.729 9.399 -1.764 1.00 33.45 H new ATOM 1149 N ASN A 70 4.295 8.659 -3.176 1.00 33.50 N ATOM 1150 CA ASN A 70 5.210 9.460 -4.023 1.00 12.31 C ATOM 1151 C ASN A 70 5.607 8.691 -5.305 1.00 12.33 C ATOM 1152 O ASN A 70 5.648 9.257 -6.397 1.00 34.40 O ATOM 1153 CB ASN A 70 6.476 9.815 -3.205 1.00 23.12 C ATOM 1154 CG ASN A 70 7.478 10.731 -3.938 1.00 55.53 C ATOM 1155 OD1 ASN A 70 8.687 10.611 -3.762 1.00 33.02 O ATOM 1156 ND2 ASN A 70 6.997 11.672 -4.735 1.00 42.45 N ATOM 0 H ASN A 70 4.691 8.412 -2.269 1.00 33.50 H new ATOM 0 HA ASN A 70 4.695 10.371 -4.328 1.00 12.31 H new ATOM 0 HB2 ASN A 70 6.170 10.301 -2.279 1.00 23.12 H new ATOM 0 HB3 ASN A 70 6.984 8.891 -2.927 1.00 23.12 H new ATOM 0 HD21 ASN A 70 7.633 12.310 -5.213 1.00 42.45 H new ATOM 0 HD22 ASN A 70 5.990 11.759 -4.871 1.00 42.45 H new ATOM 1163 N LEU A 71 5.875 7.394 -5.125 1.00 41.32 N ATOM 1164 CA LEU A 71 6.361 6.484 -6.182 1.00 13.34 C ATOM 1165 C LEU A 71 5.319 6.369 -7.337 1.00 51.43 C ATOM 1166 O LEU A 71 5.603 6.692 -8.500 1.00 61.44 O ATOM 1167 CB LEU A 71 6.649 5.096 -5.500 1.00 3.22 C ATOM 1168 CG LEU A 71 7.606 4.098 -6.219 1.00 71.34 C ATOM 1169 CD1 LEU A 71 7.967 2.904 -5.296 1.00 53.40 C ATOM 1170 CD2 LEU A 71 7.016 3.592 -7.542 1.00 55.21 C ATOM 0 H LEU A 71 5.760 6.932 -4.223 1.00 41.32 H new ATOM 0 HA LEU A 71 7.274 6.865 -6.640 1.00 13.34 H new ATOM 0 HB2 LEU A 71 7.058 5.292 -4.509 1.00 3.22 H new ATOM 0 HB3 LEU A 71 5.693 4.593 -5.356 1.00 3.22 H new ATOM 0 HG LEU A 71 8.520 4.645 -6.450 1.00 71.34 H new ATOM 0 HD11 LEU A 71 8.636 2.225 -5.825 1.00 53.40 H new ATOM 0 HD12 LEU A 71 8.462 3.275 -4.398 1.00 53.40 H new ATOM 0 HD13 LEU A 71 7.057 2.373 -5.016 1.00 53.40 H new ATOM 0 HD21 LEU A 71 7.715 2.899 -8.011 1.00 55.21 H new ATOM 0 HD22 LEU A 71 6.073 3.081 -7.348 1.00 55.21 H new ATOM 0 HD23 LEU A 71 6.840 4.436 -8.209 1.00 55.21 H new ATOM 1182 N VAL A 72 4.119 5.915 -6.968 1.00 64.11 N ATOM 1183 CA VAL A 72 2.990 5.682 -7.885 1.00 43.24 C ATOM 1184 C VAL A 72 2.444 7.000 -8.502 1.00 62.31 C ATOM 1185 O VAL A 72 2.026 7.016 -9.669 1.00 64.32 O ATOM 1186 CB VAL A 72 1.843 4.903 -7.149 1.00 54.32 C ATOM 1187 CG1 VAL A 72 0.660 4.637 -8.094 1.00 24.53 C ATOM 1188 CG2 VAL A 72 2.377 3.577 -6.541 1.00 44.31 C ATOM 0 H VAL A 72 3.895 5.692 -5.998 1.00 64.11 H new ATOM 0 HA VAL A 72 3.365 5.076 -8.710 1.00 43.24 H new ATOM 0 HB VAL A 72 1.483 5.529 -6.332 1.00 54.32 H new ATOM 0 HG11 VAL A 72 -0.120 4.096 -7.558 1.00 24.53 H new ATOM 0 HG12 VAL A 72 0.262 5.586 -8.454 1.00 24.53 H new ATOM 0 HG13 VAL A 72 0.998 4.040 -8.941 1.00 24.53 H new ATOM 0 HG21 VAL A 72 1.564 3.055 -6.036 1.00 44.31 H new ATOM 0 HG22 VAL A 72 2.775 2.946 -7.336 1.00 44.31 H new ATOM 0 HG23 VAL A 72 3.167 3.798 -5.823 1.00 44.31 H new ATOM 1198 N ASP A 73 2.465 8.099 -7.715 1.00 52.44 N ATOM 1199 CA ASP A 73 2.110 9.455 -8.211 1.00 22.41 C ATOM 1200 C ASP A 73 2.951 9.821 -9.463 1.00 42.02 C ATOM 1201 O ASP A 73 2.430 10.353 -10.444 1.00 54.41 O ATOM 1202 CB ASP A 73 2.330 10.507 -7.092 1.00 50.23 C ATOM 1203 CG ASP A 73 1.904 11.936 -7.490 1.00 50.12 C ATOM 1204 OD1 ASP A 73 2.704 12.670 -8.117 1.00 43.24 O ATOM 1205 OD2 ASP A 73 0.766 12.336 -7.175 1.00 11.13 O ATOM 0 H ASP A 73 2.725 8.076 -6.729 1.00 52.44 H new ATOM 0 HA ASP A 73 1.057 9.453 -8.494 1.00 22.41 H new ATOM 0 HB2 ASP A 73 1.771 10.204 -6.206 1.00 50.23 H new ATOM 0 HB3 ASP A 73 3.384 10.516 -6.816 1.00 50.23 H new ATOM 1210 N LYS A 74 4.249 9.499 -9.403 1.00 44.14 N ATOM 1211 CA LYS A 74 5.213 9.763 -10.487 1.00 54.34 C ATOM 1212 C LYS A 74 5.051 8.779 -11.677 1.00 55.55 C ATOM 1213 O LYS A 74 5.332 9.134 -12.824 1.00 73.42 O ATOM 1214 CB LYS A 74 6.638 9.721 -9.910 1.00 71.43 C ATOM 1215 CG LYS A 74 6.908 10.866 -8.909 1.00 0.12 C ATOM 1216 CD LYS A 74 8.304 10.807 -8.276 1.00 72.22 C ATOM 1217 CE LYS A 74 9.443 10.954 -9.302 1.00 50.54 C ATOM 1218 NZ LYS A 74 10.769 11.049 -8.650 1.00 34.51 N ATOM 0 H LYS A 74 4.668 9.042 -8.593 1.00 44.14 H new ATOM 0 HA LYS A 74 5.014 10.755 -10.893 1.00 54.34 H new ATOM 0 HB2 LYS A 74 6.797 8.764 -9.413 1.00 71.43 H new ATOM 0 HB3 LYS A 74 7.358 9.780 -10.726 1.00 71.43 H new ATOM 0 HG2 LYS A 74 6.790 11.821 -9.421 1.00 0.12 H new ATOM 0 HG3 LYS A 74 6.158 10.832 -8.119 1.00 0.12 H new ATOM 0 HD2 LYS A 74 8.391 11.597 -7.530 1.00 72.22 H new ATOM 0 HD3 LYS A 74 8.418 9.859 -7.750 1.00 72.22 H new ATOM 0 HE2 LYS A 74 9.433 10.100 -9.980 1.00 50.54 H new ATOM 0 HE3 LYS A 74 9.272 11.844 -9.908 1.00 50.54 H new ATOM 0 HZ1 LYS A 74 11.507 11.147 -9.376 1.00 34.51 H new ATOM 0 HZ2 LYS A 74 10.789 11.878 -8.023 1.00 34.51 H new ATOM 0 HZ3 LYS A 74 10.944 10.189 -8.092 1.00 34.51 H new ATOM 1232 N MET A 75 4.602 7.542 -11.382 1.00 52.41 N ATOM 1233 CA MET A 75 4.301 6.516 -12.414 1.00 51.44 C ATOM 1234 C MET A 75 3.208 6.994 -13.402 1.00 40.11 C ATOM 1235 O MET A 75 3.301 6.728 -14.604 1.00 74.30 O ATOM 1236 CB MET A 75 3.865 5.189 -11.745 1.00 25.34 C ATOM 1237 CG MET A 75 4.988 4.424 -11.048 1.00 20.02 C ATOM 1238 SD MET A 75 4.359 2.968 -10.198 1.00 4.25 S ATOM 1239 CE MET A 75 5.766 1.871 -10.262 1.00 3.24 C ATOM 0 H MET A 75 4.437 7.222 -10.428 1.00 52.41 H new ATOM 0 HA MET A 75 5.216 6.350 -12.983 1.00 51.44 H new ATOM 0 HB2 MET A 75 3.085 5.406 -11.015 1.00 25.34 H new ATOM 0 HB3 MET A 75 3.422 4.544 -12.504 1.00 25.34 H new ATOM 0 HG2 MET A 75 5.736 4.124 -11.782 1.00 20.02 H new ATOM 0 HG3 MET A 75 5.487 5.078 -10.333 1.00 20.02 H new ATOM 0 HE1 MET A 75 5.516 0.994 -10.859 1.00 3.24 H new ATOM 0 HE2 MET A 75 6.611 2.389 -10.715 1.00 3.24 H new ATOM 0 HE3 MET A 75 6.031 1.559 -9.252 1.00 3.24 H new ATOM 1249 N LEU A 76 2.184 7.704 -12.870 1.00 44.03 N ATOM 1250 CA LEU A 76 1.091 8.319 -13.682 1.00 52.22 C ATOM 1251 C LEU A 76 1.616 9.203 -14.847 1.00 30.13 C ATOM 1252 O LEU A 76 0.943 9.357 -15.877 1.00 31.14 O ATOM 1253 CB LEU A 76 0.141 9.161 -12.767 1.00 42.34 C ATOM 1254 CG LEU A 76 -1.136 8.414 -12.236 1.00 12.25 C ATOM 1255 CD1 LEU A 76 -0.774 7.208 -11.335 1.00 55.32 C ATOM 1256 CD2 LEU A 76 -2.101 9.387 -11.517 1.00 55.41 C ATOM 0 H LEU A 76 2.087 7.870 -11.868 1.00 44.03 H new ATOM 0 HA LEU A 76 0.541 7.492 -14.132 1.00 52.22 H new ATOM 0 HB2 LEU A 76 0.714 9.516 -11.910 1.00 42.34 H new ATOM 0 HB3 LEU A 76 -0.181 10.042 -13.323 1.00 42.34 H new ATOM 0 HG LEU A 76 -1.655 8.014 -13.107 1.00 12.25 H new ATOM 0 HD11 LEU A 76 -1.688 6.723 -10.992 1.00 55.32 H new ATOM 0 HD12 LEU A 76 -0.177 6.495 -11.904 1.00 55.32 H new ATOM 0 HD13 LEU A 76 -0.202 7.555 -10.474 1.00 55.32 H new ATOM 0 HD21 LEU A 76 -2.973 8.838 -11.162 1.00 55.41 H new ATOM 0 HD22 LEU A 76 -1.591 9.845 -10.670 1.00 55.41 H new ATOM 0 HD23 LEU A 76 -2.419 10.164 -12.212 1.00 55.41 H new ATOM 1268 N ASN A 77 2.806 9.793 -14.658 1.00 72.34 N ATOM 1269 CA ASN A 77 3.440 10.683 -15.641 1.00 62.44 C ATOM 1270 C ASN A 77 4.566 9.911 -16.386 1.00 40.54 C ATOM 1271 O ASN A 77 5.501 9.380 -15.768 1.00 61.22 O ATOM 1272 CB ASN A 77 3.959 12.032 -14.985 1.00 41.03 C ATOM 1273 CG ASN A 77 3.892 12.132 -13.439 1.00 53.04 C ATOM 1274 OD1 ASN A 77 4.788 12.673 -12.802 1.00 60.33 O ATOM 1275 ND2 ASN A 77 2.797 11.724 -12.831 1.00 55.44 N ATOM 0 H ASN A 77 3.360 9.664 -13.811 1.00 72.34 H new ATOM 0 HA ASN A 77 2.690 10.988 -16.371 1.00 62.44 H new ATOM 0 HB2 ASN A 77 4.995 12.181 -15.290 1.00 41.03 H new ATOM 0 HB3 ASN A 77 3.382 12.857 -15.404 1.00 41.03 H new ATOM 0 HD21 ASN A 77 2.692 11.858 -11.825 1.00 55.44 H new ATOM 0 HD22 ASN A 77 2.054 11.274 -13.366 1.00 55.44 H new ATOM 1282 N SER A 78 4.448 9.870 -17.738 1.00 63.22 N ATOM 1283 CA SER A 78 5.386 9.154 -18.660 1.00 33.12 C ATOM 1284 C SER A 78 6.835 9.705 -18.594 1.00 75.12 C ATOM 1285 O SER A 78 7.777 9.057 -19.061 1.00 52.35 O ATOM 1286 CB SER A 78 4.858 9.242 -20.115 1.00 5.14 C ATOM 1287 OG SER A 78 5.698 8.551 -21.030 1.00 34.14 O ATOM 0 H SER A 78 3.689 10.339 -18.232 1.00 63.22 H new ATOM 0 HA SER A 78 5.425 8.115 -18.333 1.00 33.12 H new ATOM 0 HB2 SER A 78 3.852 8.825 -20.161 1.00 5.14 H new ATOM 0 HB3 SER A 78 4.784 10.288 -20.411 1.00 5.14 H new ATOM 0 HG SER A 78 5.330 8.629 -21.935 1.00 34.14 H new ATOM 1293 N GLU A 79 6.988 10.901 -18.000 1.00 31.53 N ATOM 1294 CA GLU A 79 8.286 11.551 -17.750 1.00 74.31 C ATOM 1295 C GLU A 79 9.222 10.623 -16.931 1.00 30.51 C ATOM 1296 O GLU A 79 10.414 10.482 -17.233 1.00 14.01 O ATOM 1297 CB GLU A 79 8.005 12.886 -16.992 1.00 40.31 C ATOM 1298 CG GLU A 79 9.210 13.490 -16.247 1.00 33.55 C ATOM 1299 CD GLU A 79 8.894 14.791 -15.501 1.00 11.51 C ATOM 1300 OE1 GLU A 79 8.620 15.813 -16.157 1.00 5.35 O ATOM 1301 OE2 GLU A 79 8.908 14.799 -14.253 1.00 52.12 O ATOM 0 H GLU A 79 6.196 11.454 -17.673 1.00 31.53 H new ATOM 0 HA GLU A 79 8.797 11.756 -18.691 1.00 74.31 H new ATOM 0 HB2 GLU A 79 7.638 13.620 -17.709 1.00 40.31 H new ATOM 0 HB3 GLU A 79 7.204 12.714 -16.273 1.00 40.31 H new ATOM 0 HG2 GLU A 79 9.588 12.757 -15.534 1.00 33.55 H new ATOM 0 HG3 GLU A 79 10.009 13.679 -16.963 1.00 33.55 H new ATOM 1308 N ILE A 80 8.637 9.975 -15.915 1.00 30.42 N ATOM 1309 CA ILE A 80 9.359 9.087 -14.987 1.00 52.32 C ATOM 1310 C ILE A 80 9.367 7.635 -15.520 1.00 42.33 C ATOM 1311 O ILE A 80 10.401 6.955 -15.459 1.00 54.21 O ATOM 1312 CB ILE A 80 8.735 9.156 -13.539 1.00 11.52 C ATOM 1313 CG1 ILE A 80 8.751 10.635 -13.000 1.00 35.25 C ATOM 1314 CG2 ILE A 80 9.446 8.188 -12.556 1.00 62.04 C ATOM 1315 CD1 ILE A 80 7.572 11.484 -13.413 1.00 23.12 C ATOM 0 H ILE A 80 7.641 10.051 -15.710 1.00 30.42 H new ATOM 0 HA ILE A 80 10.391 9.430 -14.920 1.00 52.32 H new ATOM 0 HB ILE A 80 7.698 8.829 -13.609 1.00 11.52 H new ATOM 0 HG12 ILE A 80 8.794 10.607 -11.911 1.00 35.25 H new ATOM 0 HG13 ILE A 80 9.665 11.120 -13.343 1.00 35.25 H new ATOM 0 HG21 ILE A 80 8.986 8.267 -11.571 1.00 62.04 H new ATOM 0 HG22 ILE A 80 9.351 7.165 -12.920 1.00 62.04 H new ATOM 0 HG23 ILE A 80 10.501 8.451 -12.486 1.00 62.04 H new ATOM 0 HD11 ILE A 80 7.678 12.483 -12.991 1.00 23.12 H new ATOM 0 HD12 ILE A 80 7.535 11.551 -14.500 1.00 23.12 H new ATOM 0 HD13 ILE A 80 6.651 11.031 -13.046 1.00 23.12 H new ATOM 1327 N LYS A 81 8.199 7.191 -16.042 1.00 24.55 N ATOM 1328 CA LYS A 81 7.989 5.836 -16.626 1.00 75.41 C ATOM 1329 C LYS A 81 8.025 4.714 -15.543 1.00 13.35 C ATOM 1330 O LYS A 81 8.629 4.859 -14.475 1.00 44.03 O ATOM 1331 CB LYS A 81 9.004 5.547 -17.779 1.00 32.31 C ATOM 1332 CG LYS A 81 8.812 4.200 -18.519 1.00 3.14 C ATOM 1333 CD LYS A 81 9.954 3.894 -19.510 1.00 40.12 C ATOM 1334 CE LYS A 81 9.820 2.499 -20.147 1.00 71.44 C ATOM 1335 NZ LYS A 81 10.960 2.188 -21.035 1.00 52.42 N ATOM 0 H LYS A 81 7.360 7.770 -16.072 1.00 24.55 H new ATOM 0 HA LYS A 81 6.987 5.830 -17.055 1.00 75.41 H new ATOM 0 HB2 LYS A 81 8.937 6.354 -18.508 1.00 32.31 H new ATOM 0 HB3 LYS A 81 10.012 5.573 -17.366 1.00 32.31 H new ATOM 0 HG2 LYS A 81 8.747 3.395 -17.787 1.00 3.14 H new ATOM 0 HG3 LYS A 81 7.865 4.219 -19.058 1.00 3.14 H new ATOM 0 HD2 LYS A 81 9.962 4.650 -20.295 1.00 40.12 H new ATOM 0 HD3 LYS A 81 10.910 3.963 -18.991 1.00 40.12 H new ATOM 0 HE2 LYS A 81 9.755 1.746 -19.362 1.00 71.44 H new ATOM 0 HE3 LYS A 81 8.892 2.447 -20.716 1.00 71.44 H new ATOM 0 HZ1 LYS A 81 10.833 1.241 -21.444 1.00 52.42 H new ATOM 0 HZ2 LYS A 81 11.007 2.892 -21.799 1.00 52.42 H new ATOM 0 HZ3 LYS A 81 11.844 2.212 -20.487 1.00 52.42 H new ATOM 1349 N ILE A 82 7.354 3.587 -15.847 1.00 41.14 N ATOM 1350 CA ILE A 82 7.194 2.457 -14.919 1.00 72.15 C ATOM 1351 C ILE A 82 8.204 1.349 -15.272 1.00 13.31 C ATOM 1352 O ILE A 82 8.031 0.630 -16.268 1.00 54.11 O ATOM 1353 CB ILE A 82 5.719 1.871 -14.946 1.00 3.12 C ATOM 1354 CG1 ILE A 82 4.630 2.990 -14.769 1.00 3.31 C ATOM 1355 CG2 ILE A 82 5.547 0.771 -13.877 1.00 24.42 C ATOM 1356 CD1 ILE A 82 4.342 3.801 -16.024 1.00 22.24 C ATOM 0 H ILE A 82 6.905 3.436 -16.751 1.00 41.14 H new ATOM 0 HA ILE A 82 7.383 2.825 -13.911 1.00 72.15 H new ATOM 0 HB ILE A 82 5.569 1.429 -15.931 1.00 3.12 H new ATOM 0 HG12 ILE A 82 3.703 2.526 -14.432 1.00 3.31 H new ATOM 0 HG13 ILE A 82 4.952 3.669 -13.980 1.00 3.31 H new ATOM 0 HG21 ILE A 82 4.529 0.384 -13.914 1.00 24.42 H new ATOM 0 HG22 ILE A 82 6.250 -0.039 -14.072 1.00 24.42 H new ATOM 0 HG23 ILE A 82 5.740 1.190 -12.889 1.00 24.42 H new ATOM 0 HD11 ILE A 82 3.579 4.548 -15.807 1.00 22.24 H new ATOM 0 HD12 ILE A 82 5.254 4.299 -16.353 1.00 22.24 H new ATOM 0 HD13 ILE A 82 3.986 3.138 -16.812 1.00 22.24 H new ATOM 1368 N THR A 83 9.282 1.257 -14.477 1.00 53.12 N ATOM 1369 CA THR A 83 10.276 0.176 -14.614 1.00 70.34 C ATOM 1370 C THR A 83 9.695 -1.149 -14.059 1.00 11.21 C ATOM 1371 O THR A 83 9.059 -1.147 -12.997 1.00 15.25 O ATOM 1372 CB THR A 83 11.619 0.524 -13.867 1.00 43.51 C ATOM 1373 OG1 THR A 83 12.192 1.731 -14.401 1.00 22.02 O ATOM 1374 CG2 THR A 83 12.668 -0.607 -13.950 1.00 64.44 C ATOM 0 H THR A 83 9.489 1.920 -13.730 1.00 53.12 H new ATOM 0 HA THR A 83 10.501 0.063 -15.674 1.00 70.34 H new ATOM 0 HB THR A 83 11.356 0.657 -12.818 1.00 43.51 H new ATOM 0 HG1 THR A 83 13.025 1.936 -13.926 1.00 22.02 H new ATOM 0 HG21 THR A 83 13.570 -0.307 -13.417 1.00 64.44 H new ATOM 0 HG22 THR A 83 12.263 -1.512 -13.498 1.00 64.44 H new ATOM 0 HG23 THR A 83 12.912 -0.801 -14.994 1.00 64.44 H new ATOM 1382 N SER A 84 9.916 -2.267 -14.783 1.00 14.00 N ATOM 1383 CA SER A 84 9.418 -3.614 -14.392 1.00 34.23 C ATOM 1384 C SER A 84 9.859 -4.007 -12.958 1.00 12.41 C ATOM 1385 O SER A 84 9.048 -4.467 -12.152 1.00 4.30 O ATOM 1386 CB SER A 84 9.918 -4.678 -15.397 1.00 72.11 C ATOM 1387 OG SER A 84 9.523 -4.372 -16.725 1.00 41.30 O ATOM 0 H SER A 84 10.444 -2.267 -15.656 1.00 14.00 H new ATOM 0 HA SER A 84 8.329 -3.572 -14.406 1.00 34.23 H new ATOM 0 HB2 SER A 84 11.005 -4.744 -15.347 1.00 72.11 H new ATOM 0 HB3 SER A 84 9.526 -5.656 -15.117 1.00 72.11 H new ATOM 0 HG SER A 84 9.857 -5.064 -17.333 1.00 41.30 H new ATOM 1393 N ASP A 85 11.151 -3.784 -12.660 1.00 20.11 N ATOM 1394 CA ASP A 85 11.766 -4.099 -11.347 1.00 12.25 C ATOM 1395 C ASP A 85 11.258 -3.157 -10.227 1.00 52.52 C ATOM 1396 O ASP A 85 11.218 -3.531 -9.050 1.00 61.42 O ATOM 1397 CB ASP A 85 13.298 -3.976 -11.455 1.00 20.32 C ATOM 1398 CG ASP A 85 13.866 -4.755 -12.649 1.00 31.43 C ATOM 1399 OD1 ASP A 85 13.879 -4.204 -13.773 1.00 14.15 O ATOM 1400 OD2 ASP A 85 14.278 -5.924 -12.487 1.00 62.01 O ATOM 0 H ASP A 85 11.808 -3.377 -13.326 1.00 20.11 H new ATOM 0 HA ASP A 85 11.481 -5.118 -11.084 1.00 12.25 H new ATOM 0 HB2 ASP A 85 13.569 -2.924 -11.549 1.00 20.32 H new ATOM 0 HB3 ASP A 85 13.755 -4.342 -10.536 1.00 20.32 H new ATOM 1405 N LEU A 86 10.905 -1.923 -10.614 1.00 13.25 N ATOM 1406 CA LEU A 86 10.358 -0.909 -9.685 1.00 11.22 C ATOM 1407 C LEU A 86 8.966 -1.327 -9.160 1.00 3.14 C ATOM 1408 O LEU A 86 8.611 -1.031 -8.019 1.00 2.25 O ATOM 1409 CB LEU A 86 10.274 0.466 -10.381 1.00 63.52 C ATOM 1410 CG LEU A 86 9.766 1.636 -9.494 1.00 52.01 C ATOM 1411 CD1 LEU A 86 10.782 2.006 -8.384 1.00 30.44 C ATOM 1412 CD2 LEU A 86 9.381 2.859 -10.359 1.00 14.23 C ATOM 0 H LEU A 86 10.988 -1.595 -11.576 1.00 13.25 H new ATOM 0 HA LEU A 86 11.033 -0.834 -8.833 1.00 11.22 H new ATOM 0 HB2 LEU A 86 11.263 0.723 -10.759 1.00 63.52 H new ATOM 0 HB3 LEU A 86 9.616 0.376 -11.245 1.00 63.52 H new ATOM 0 HG LEU A 86 8.864 1.296 -8.985 1.00 52.01 H new ATOM 0 HD11 LEU A 86 10.386 2.828 -7.788 1.00 30.44 H new ATOM 0 HD12 LEU A 86 10.951 1.141 -7.742 1.00 30.44 H new ATOM 0 HD13 LEU A 86 11.725 2.309 -8.840 1.00 30.44 H new ATOM 0 HD21 LEU A 86 9.029 3.664 -9.714 1.00 14.23 H new ATOM 0 HD22 LEU A 86 10.253 3.198 -10.919 1.00 14.23 H new ATOM 0 HD23 LEU A 86 8.590 2.578 -11.054 1.00 14.23 H new ATOM 1424 N ILE A 87 8.183 -2.009 -10.017 1.00 44.34 N ATOM 1425 CA ILE A 87 6.884 -2.617 -9.626 1.00 22.33 C ATOM 1426 C ILE A 87 7.096 -3.667 -8.498 1.00 31.21 C ATOM 1427 O ILE A 87 6.252 -3.832 -7.603 1.00 2.34 O ATOM 1428 CB ILE A 87 6.194 -3.325 -10.854 1.00 5.10 C ATOM 1429 CG1 ILE A 87 6.101 -2.362 -12.075 1.00 0.02 C ATOM 1430 CG2 ILE A 87 4.791 -3.883 -10.495 1.00 34.51 C ATOM 1431 CD1 ILE A 87 5.636 -3.017 -13.367 1.00 30.21 C ATOM 0 H ILE A 87 8.426 -2.157 -10.997 1.00 44.34 H new ATOM 0 HA ILE A 87 6.240 -1.813 -9.270 1.00 22.33 H new ATOM 0 HB ILE A 87 6.824 -4.172 -11.125 1.00 5.10 H new ATOM 0 HG12 ILE A 87 5.417 -1.550 -11.829 1.00 0.02 H new ATOM 0 HG13 ILE A 87 7.080 -1.914 -12.243 1.00 0.02 H new ATOM 0 HG21 ILE A 87 4.355 -4.362 -11.372 1.00 34.51 H new ATOM 0 HG22 ILE A 87 4.885 -4.614 -9.692 1.00 34.51 H new ATOM 0 HG23 ILE A 87 4.147 -3.066 -10.169 1.00 34.51 H new ATOM 0 HD11 ILE A 87 5.602 -2.271 -14.161 1.00 30.21 H new ATOM 0 HD12 ILE A 87 6.331 -3.810 -13.644 1.00 30.21 H new ATOM 0 HD13 ILE A 87 4.642 -3.440 -13.223 1.00 30.21 H new ATOM 1443 N ASP A 88 8.251 -4.371 -8.564 1.00 60.43 N ATOM 1444 CA ASP A 88 8.645 -5.359 -7.545 1.00 34.31 C ATOM 1445 C ASP A 88 9.071 -4.663 -6.236 1.00 64.22 C ATOM 1446 O ASP A 88 8.920 -5.241 -5.156 1.00 14.31 O ATOM 1447 CB ASP A 88 9.768 -6.283 -8.067 1.00 35.21 C ATOM 1448 CG ASP A 88 9.320 -7.128 -9.267 1.00 14.42 C ATOM 1449 OD1 ASP A 88 8.574 -8.109 -9.062 1.00 4.23 O ATOM 1450 OD2 ASP A 88 9.696 -6.817 -10.416 1.00 61.22 O ATOM 0 H ASP A 88 8.927 -4.268 -9.321 1.00 60.43 H new ATOM 0 HA ASP A 88 7.775 -5.979 -7.331 1.00 34.31 H new ATOM 0 HB2 ASP A 88 10.629 -5.678 -8.353 1.00 35.21 H new ATOM 0 HB3 ASP A 88 10.095 -6.943 -7.263 1.00 35.21 H new ATOM 1455 N LYS A 89 9.601 -3.419 -6.339 1.00 72.14 N ATOM 1456 CA LYS A 89 9.922 -2.594 -5.151 1.00 30.24 C ATOM 1457 C LYS A 89 8.629 -2.179 -4.415 1.00 5.51 C ATOM 1458 O LYS A 89 8.552 -2.287 -3.190 1.00 2.22 O ATOM 1459 CB LYS A 89 10.754 -1.343 -5.540 1.00 1.22 C ATOM 1460 CG LYS A 89 12.231 -1.645 -5.873 1.00 73.04 C ATOM 1461 CD LYS A 89 13.057 -0.364 -6.149 1.00 45.34 C ATOM 1462 CE LYS A 89 14.572 -0.623 -6.170 1.00 55.24 C ATOM 1463 NZ LYS A 89 14.964 -1.609 -7.204 1.00 1.23 N ATOM 0 H LYS A 89 9.814 -2.968 -7.229 1.00 72.14 H new ATOM 0 HA LYS A 89 10.528 -3.200 -4.477 1.00 30.24 H new ATOM 0 HB2 LYS A 89 10.289 -0.865 -6.402 1.00 1.22 H new ATOM 0 HB3 LYS A 89 10.717 -0.626 -4.720 1.00 1.22 H new ATOM 0 HG2 LYS A 89 12.681 -2.191 -5.044 1.00 73.04 H new ATOM 0 HG3 LYS A 89 12.276 -2.296 -6.746 1.00 73.04 H new ATOM 0 HD2 LYS A 89 12.752 0.060 -7.106 1.00 45.34 H new ATOM 0 HD3 LYS A 89 12.831 0.380 -5.385 1.00 45.34 H new ATOM 0 HE2 LYS A 89 15.096 0.316 -6.351 1.00 55.24 H new ATOM 0 HE3 LYS A 89 14.890 -0.982 -5.191 1.00 55.24 H new ATOM 0 HZ1 LYS A 89 15.994 -1.749 -7.178 1.00 1.23 H new ATOM 0 HZ2 LYS A 89 14.487 -2.514 -7.019 1.00 1.23 H new ATOM 0 HZ3 LYS A 89 14.686 -1.257 -8.142 1.00 1.23 H new ATOM 1477 N VAL A 90 7.616 -1.725 -5.190 1.00 0.32 N ATOM 1478 CA VAL A 90 6.262 -1.393 -4.660 1.00 35.10 C ATOM 1479 C VAL A 90 5.666 -2.594 -3.891 1.00 31.11 C ATOM 1480 O VAL A 90 5.193 -2.460 -2.754 1.00 72.53 O ATOM 1481 CB VAL A 90 5.258 -1.006 -5.816 1.00 21.44 C ATOM 1482 CG1 VAL A 90 3.867 -0.607 -5.255 1.00 53.34 C ATOM 1483 CG2 VAL A 90 5.834 0.099 -6.731 1.00 52.22 C ATOM 0 H VAL A 90 7.708 -1.577 -6.195 1.00 0.32 H new ATOM 0 HA VAL A 90 6.390 -0.540 -3.993 1.00 35.10 H new ATOM 0 HB VAL A 90 5.121 -1.896 -6.430 1.00 21.44 H new ATOM 0 HG11 VAL A 90 3.203 -0.347 -6.079 1.00 53.34 H new ATOM 0 HG12 VAL A 90 3.445 -1.444 -4.699 1.00 53.34 H new ATOM 0 HG13 VAL A 90 3.975 0.251 -4.592 1.00 53.34 H new ATOM 0 HG21 VAL A 90 5.113 0.336 -7.513 1.00 52.22 H new ATOM 0 HG22 VAL A 90 6.036 0.992 -6.140 1.00 52.22 H new ATOM 0 HG23 VAL A 90 6.760 -0.252 -7.186 1.00 52.22 H new ATOM 1493 N LYS A 91 5.736 -3.767 -4.552 1.00 15.43 N ATOM 1494 CA LYS A 91 5.201 -5.036 -4.030 1.00 24.35 C ATOM 1495 C LYS A 91 5.877 -5.427 -2.702 1.00 30.32 C ATOM 1496 O LYS A 91 5.208 -5.740 -1.738 1.00 42.41 O ATOM 1497 CB LYS A 91 5.414 -6.185 -5.053 1.00 52.13 C ATOM 1498 CG LYS A 91 4.531 -7.434 -4.800 1.00 23.01 C ATOM 1499 CD LYS A 91 5.159 -8.768 -5.290 1.00 74.34 C ATOM 1500 CE LYS A 91 5.296 -8.902 -6.824 1.00 13.02 C ATOM 1501 NZ LYS A 91 6.291 -7.987 -7.436 1.00 61.43 N ATOM 0 H LYS A 91 6.170 -3.859 -5.471 1.00 15.43 H new ATOM 0 HA LYS A 91 4.135 -4.886 -3.858 1.00 24.35 H new ATOM 0 HB2 LYS A 91 5.210 -5.807 -6.055 1.00 52.13 H new ATOM 0 HB3 LYS A 91 6.462 -6.485 -5.033 1.00 52.13 H new ATOM 0 HG2 LYS A 91 4.329 -7.512 -3.732 1.00 23.01 H new ATOM 0 HG3 LYS A 91 3.571 -7.293 -5.297 1.00 23.01 H new ATOM 0 HD2 LYS A 91 6.147 -8.873 -4.842 1.00 74.34 H new ATOM 0 HD3 LYS A 91 4.552 -9.595 -4.921 1.00 74.34 H new ATOM 0 HE2 LYS A 91 5.571 -9.929 -7.063 1.00 13.02 H new ATOM 0 HE3 LYS A 91 4.323 -8.718 -7.280 1.00 13.02 H new ATOM 0 HZ1 LYS A 91 6.769 -8.470 -8.224 1.00 61.43 H new ATOM 0 HZ2 LYS A 91 5.808 -7.138 -7.792 1.00 61.43 H new ATOM 0 HZ3 LYS A 91 6.995 -7.711 -6.721 1.00 61.43 H new ATOM 1515 N LYS A 92 7.219 -5.379 -2.693 1.00 11.12 N ATOM 1516 CA LYS A 92 8.059 -5.811 -1.558 1.00 51.02 C ATOM 1517 C LYS A 92 7.829 -4.942 -0.288 1.00 34.13 C ATOM 1518 O LYS A 92 7.795 -5.453 0.837 1.00 70.13 O ATOM 1519 CB LYS A 92 9.543 -5.761 -1.984 1.00 11.41 C ATOM 1520 CG LYS A 92 10.526 -6.383 -0.979 1.00 24.42 C ATOM 1521 CD LYS A 92 10.396 -7.921 -0.890 1.00 72.13 C ATOM 1522 CE LYS A 92 11.426 -8.546 0.064 1.00 44.50 C ATOM 1523 NZ LYS A 92 11.294 -8.025 1.452 1.00 22.42 N ATOM 0 H LYS A 92 7.762 -5.034 -3.485 1.00 11.12 H new ATOM 0 HA LYS A 92 7.777 -6.831 -1.295 1.00 51.02 H new ATOM 0 HB2 LYS A 92 9.649 -6.275 -2.939 1.00 11.41 H new ATOM 0 HB3 LYS A 92 9.824 -4.721 -2.149 1.00 11.41 H new ATOM 0 HG2 LYS A 92 11.545 -6.125 -1.267 1.00 24.42 H new ATOM 0 HG3 LYS A 92 10.354 -5.950 0.007 1.00 24.42 H new ATOM 0 HD2 LYS A 92 9.392 -8.178 -0.554 1.00 72.13 H new ATOM 0 HD3 LYS A 92 10.519 -8.351 -1.884 1.00 72.13 H new ATOM 0 HE2 LYS A 92 11.302 -9.629 0.071 1.00 44.50 H new ATOM 0 HE3 LYS A 92 12.431 -8.342 -0.305 1.00 44.50 H new ATOM 0 HZ1 LYS A 92 11.938 -8.546 2.081 1.00 22.42 H new ATOM 0 HZ2 LYS A 92 11.537 -7.014 1.468 1.00 22.42 H new ATOM 0 HZ3 LYS A 92 10.315 -8.151 1.778 1.00 22.42 H new ATOM 1537 N LYS A 93 7.700 -3.625 -0.503 1.00 51.03 N ATOM 1538 CA LYS A 93 7.341 -2.641 0.551 1.00 53.53 C ATOM 1539 C LYS A 93 5.912 -2.891 1.107 1.00 4.04 C ATOM 1540 O LYS A 93 5.670 -2.756 2.308 1.00 61.43 O ATOM 1541 CB LYS A 93 7.422 -1.209 -0.037 1.00 63.14 C ATOM 1542 CG LYS A 93 8.846 -0.701 -0.386 1.00 2.11 C ATOM 1543 CD LYS A 93 8.820 0.467 -1.410 1.00 64.01 C ATOM 1544 CE LYS A 93 10.169 1.180 -1.565 1.00 3.30 C ATOM 1545 NZ LYS A 93 10.455 2.069 -0.409 1.00 44.22 N ATOM 0 H LYS A 93 7.841 -3.200 -1.419 1.00 51.03 H new ATOM 0 HA LYS A 93 8.046 -2.754 1.374 1.00 53.53 H new ATOM 0 HB2 LYS A 93 6.812 -1.172 -0.940 1.00 63.14 H new ATOM 0 HB3 LYS A 93 6.975 -0.518 0.677 1.00 63.14 H new ATOM 0 HG2 LYS A 93 9.345 -0.372 0.525 1.00 2.11 H new ATOM 0 HG3 LYS A 93 9.434 -1.524 -0.792 1.00 2.11 H new ATOM 0 HD2 LYS A 93 8.509 0.081 -2.381 1.00 64.01 H new ATOM 0 HD3 LYS A 93 8.068 1.193 -1.101 1.00 64.01 H new ATOM 0 HE2 LYS A 93 10.963 0.440 -1.660 1.00 3.30 H new ATOM 0 HE3 LYS A 93 10.168 1.766 -2.484 1.00 3.30 H new ATOM 0 HZ1 LYS A 93 11.242 2.706 -0.647 1.00 44.22 H new ATOM 0 HZ2 LYS A 93 9.609 2.631 -0.186 1.00 44.22 H new ATOM 0 HZ3 LYS A 93 10.715 1.492 0.417 1.00 44.22 H new ATOM 1559 N LEU A 94 4.982 -3.254 0.212 1.00 70.32 N ATOM 1560 CA LEU A 94 3.561 -3.502 0.563 1.00 64.11 C ATOM 1561 C LEU A 94 3.425 -4.856 1.332 1.00 12.14 C ATOM 1562 O LEU A 94 2.603 -4.999 2.241 1.00 23.41 O ATOM 1563 CB LEU A 94 2.705 -3.441 -0.747 1.00 24.13 C ATOM 1564 CG LEU A 94 1.193 -3.072 -0.609 1.00 3.14 C ATOM 1565 CD1 LEU A 94 0.357 -4.223 -0.048 1.00 30.21 C ATOM 1566 CD2 LEU A 94 1.005 -1.784 0.221 1.00 64.21 C ATOM 0 H LEU A 94 5.186 -3.386 -0.779 1.00 70.32 H new ATOM 0 HA LEU A 94 3.185 -2.734 1.239 1.00 64.11 H new ATOM 0 HB2 LEU A 94 3.168 -2.716 -1.417 1.00 24.13 H new ATOM 0 HB3 LEU A 94 2.770 -4.413 -1.236 1.00 24.13 H new ATOM 0 HG LEU A 94 0.824 -2.881 -1.617 1.00 3.14 H new ATOM 0 HD11 LEU A 94 -0.685 -3.913 0.027 1.00 30.21 H new ATOM 0 HD12 LEU A 94 0.432 -5.084 -0.712 1.00 30.21 H new ATOM 0 HD13 LEU A 94 0.727 -4.493 0.941 1.00 30.21 H new ATOM 0 HD21 LEU A 94 -0.057 -1.553 0.299 1.00 64.21 H new ATOM 0 HD22 LEU A 94 1.419 -1.930 1.219 1.00 64.21 H new ATOM 0 HD23 LEU A 94 1.521 -0.958 -0.268 1.00 64.21 H new ATOM 1578 N ASP A 95 4.264 -5.828 0.944 1.00 11.51 N ATOM 1579 CA ASP A 95 4.485 -7.099 1.674 1.00 2.22 C ATOM 1580 C ASP A 95 5.010 -6.839 3.103 1.00 65.55 C ATOM 1581 O ASP A 95 4.589 -7.480 4.080 1.00 22.22 O ATOM 1582 CB ASP A 95 5.510 -7.967 0.881 1.00 61.40 C ATOM 1583 CG ASP A 95 4.858 -8.835 -0.201 1.00 24.04 C ATOM 1584 OD1 ASP A 95 4.168 -9.808 0.168 1.00 71.52 O ATOM 1585 OD2 ASP A 95 5.061 -8.590 -1.410 1.00 61.11 O ATOM 0 H ASP A 95 4.824 -5.757 0.095 1.00 11.51 H new ATOM 0 HA ASP A 95 3.534 -7.625 1.759 1.00 2.22 H new ATOM 0 HB2 ASP A 95 6.248 -7.313 0.417 1.00 61.40 H new ATOM 0 HB3 ASP A 95 6.048 -8.610 1.578 1.00 61.40 H new ATOM 1590 N MET A 96 5.937 -5.875 3.189 1.00 12.14 N ATOM 1591 CA MET A 96 6.569 -5.455 4.446 1.00 61.42 C ATOM 1592 C MET A 96 5.543 -4.860 5.449 1.00 44.41 C ATOM 1593 O MET A 96 5.749 -4.970 6.646 1.00 51.22 O ATOM 1594 CB MET A 96 7.707 -4.446 4.136 1.00 50.44 C ATOM 1595 CG MET A 96 8.384 -3.828 5.364 1.00 51.31 C ATOM 1596 SD MET A 96 9.062 -5.083 6.472 1.00 4.21 S ATOM 1597 CE MET A 96 9.607 -4.079 7.851 1.00 4.55 C ATOM 0 H MET A 96 6.273 -5.359 2.376 1.00 12.14 H new ATOM 0 HA MET A 96 6.991 -6.336 4.930 1.00 61.42 H new ATOM 0 HB2 MET A 96 8.466 -4.951 3.538 1.00 50.44 H new ATOM 0 HB3 MET A 96 7.301 -3.642 3.522 1.00 50.44 H new ATOM 0 HG2 MET A 96 9.183 -3.162 5.039 1.00 51.31 H new ATOM 0 HG3 MET A 96 7.662 -3.218 5.907 1.00 51.31 H new ATOM 0 HE1 MET A 96 10.127 -4.706 8.575 1.00 4.55 H new ATOM 0 HE2 MET A 96 10.283 -3.303 7.491 1.00 4.55 H new ATOM 0 HE3 MET A 96 8.743 -3.616 8.328 1.00 4.55 H new ATOM 1607 N VAL A 97 4.432 -4.265 4.951 1.00 13.12 N ATOM 1608 CA VAL A 97 3.371 -3.671 5.819 1.00 71.31 C ATOM 1609 C VAL A 97 2.759 -4.729 6.792 1.00 5.41 C ATOM 1610 O VAL A 97 2.480 -4.425 7.957 1.00 51.13 O ATOM 1611 CB VAL A 97 2.227 -2.996 4.962 1.00 25.11 C ATOM 1612 CG1 VAL A 97 1.159 -2.305 5.857 1.00 12.32 C ATOM 1613 CG2 VAL A 97 2.816 -1.996 3.934 1.00 65.03 C ATOM 0 H VAL A 97 4.242 -4.181 3.952 1.00 13.12 H new ATOM 0 HA VAL A 97 3.855 -2.898 6.416 1.00 71.31 H new ATOM 0 HB VAL A 97 1.725 -3.794 4.415 1.00 25.11 H new ATOM 0 HG11 VAL A 97 0.392 -1.855 5.227 1.00 12.32 H new ATOM 0 HG12 VAL A 97 0.701 -3.045 6.513 1.00 12.32 H new ATOM 0 HG13 VAL A 97 1.635 -1.531 6.459 1.00 12.32 H new ATOM 0 HG21 VAL A 97 2.007 -1.547 3.359 1.00 65.03 H new ATOM 0 HG22 VAL A 97 3.365 -1.215 4.460 1.00 65.03 H new ATOM 0 HG23 VAL A 97 3.491 -2.523 3.260 1.00 65.03 H new ATOM 1623 N THR A 98 2.591 -5.977 6.301 1.00 44.12 N ATOM 1624 CA THR A 98 2.125 -7.124 7.131 1.00 62.30 C ATOM 1625 C THR A 98 3.162 -7.478 8.236 1.00 5.14 C ATOM 1626 O THR A 98 2.817 -7.659 9.408 1.00 15.44 O ATOM 1627 CB THR A 98 1.870 -8.405 6.250 1.00 54.52 C ATOM 1628 OG1 THR A 98 1.019 -8.088 5.137 1.00 75.11 O ATOM 1629 CG2 THR A 98 1.232 -9.553 7.059 1.00 11.31 C ATOM 0 H THR A 98 2.771 -6.222 5.328 1.00 44.12 H new ATOM 0 HA THR A 98 1.189 -6.814 7.596 1.00 62.30 H new ATOM 0 HB THR A 98 2.844 -8.739 5.894 1.00 54.52 H new ATOM 0 HG1 THR A 98 0.871 -8.893 4.598 1.00 75.11 H new ATOM 0 HG21 THR A 98 1.076 -10.413 6.408 1.00 11.31 H new ATOM 0 HG22 THR A 98 1.895 -9.833 7.878 1.00 11.31 H new ATOM 0 HG23 THR A 98 0.274 -9.225 7.463 1.00 11.31 H new ATOM 1637 N ARG A 99 4.439 -7.564 7.826 1.00 23.12 N ATOM 1638 CA ARG A 99 5.577 -7.904 8.723 1.00 70.32 C ATOM 1639 C ARG A 99 5.901 -6.752 9.714 1.00 14.34 C ATOM 1640 O ARG A 99 6.507 -6.964 10.770 1.00 50.24 O ATOM 1641 CB ARG A 99 6.821 -8.277 7.875 1.00 31.11 C ATOM 1642 CG ARG A 99 6.589 -9.431 6.866 1.00 23.23 C ATOM 1643 CD ARG A 99 6.114 -10.733 7.545 1.00 23.15 C ATOM 1644 NE ARG A 99 5.866 -11.819 6.574 1.00 64.51 N ATOM 1645 CZ ARG A 99 5.128 -12.892 6.797 1.00 15.22 C ATOM 1646 NH1 ARG A 99 4.521 -13.071 7.928 1.00 14.10 N ATOM 1647 NH2 ARG A 99 5.003 -13.781 5.871 1.00 54.31 N ATOM 0 H ARG A 99 4.721 -7.400 6.860 1.00 23.12 H new ATOM 0 HA ARG A 99 5.287 -8.764 9.326 1.00 70.32 H new ATOM 0 HB2 ARG A 99 7.150 -7.394 7.328 1.00 31.11 H new ATOM 0 HB3 ARG A 99 7.633 -8.556 8.547 1.00 31.11 H new ATOM 0 HG2 ARG A 99 5.848 -9.120 6.129 1.00 23.23 H new ATOM 0 HG3 ARG A 99 7.515 -9.626 6.325 1.00 23.23 H new ATOM 0 HD2 ARG A 99 6.865 -11.058 8.265 1.00 23.15 H new ATOM 0 HD3 ARG A 99 5.200 -10.535 8.105 1.00 23.15 H new ATOM 0 HE ARG A 99 6.301 -11.733 5.655 1.00 64.51 H new ATOM 0 HH11 ARG A 99 4.608 -12.375 8.669 1.00 14.10 H new ATOM 0 HH12 ARG A 99 3.957 -13.907 8.077 1.00 14.10 H new ATOM 0 HH21 ARG A 99 5.472 -13.653 4.974 1.00 54.31 H new ATOM 0 HH22 ARG A 99 4.435 -14.612 6.035 1.00 54.31 H new ATOM 1661 N GLU A 100 5.539 -5.531 9.319 1.00 40.11 N ATOM 1662 CA GLU A 100 5.681 -4.325 10.151 1.00 35.20 C ATOM 1663 C GLU A 100 4.548 -4.271 11.212 1.00 41.22 C ATOM 1664 O GLU A 100 4.749 -3.810 12.342 1.00 24.12 O ATOM 1665 CB GLU A 100 5.681 -3.072 9.230 1.00 22.04 C ATOM 1666 CG GLU A 100 6.090 -1.754 9.903 1.00 2.02 C ATOM 1667 CD GLU A 100 7.457 -1.818 10.597 1.00 21.41 C ATOM 1668 OE1 GLU A 100 8.496 -1.623 9.933 1.00 73.02 O ATOM 1669 OE2 GLU A 100 7.499 -2.105 11.803 1.00 75.02 O ATOM 0 H GLU A 100 5.133 -5.344 8.402 1.00 40.11 H new ATOM 0 HA GLU A 100 6.626 -4.349 10.694 1.00 35.20 H new ATOM 0 HB2 GLU A 100 6.356 -3.257 8.395 1.00 22.04 H new ATOM 0 HB3 GLU A 100 4.682 -2.951 8.812 1.00 22.04 H new ATOM 0 HG2 GLU A 100 6.109 -0.963 9.153 1.00 2.02 H new ATOM 0 HG3 GLU A 100 5.332 -1.479 10.636 1.00 2.02 H new