USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=26 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 23 ASN : amide:sc= 0.422 K(o=1.1,f=-4.4) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -131:sc= 0.724 (180deg=-0.464) USER MOD Set 2.1: A 70 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Set 2.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 47 HIS : no HD1:sc= -0.0142 X(o=-0.24,f=-0.21) USER MOD Set 3.3: A 69 MET CE :methyl -160:sc= -0.222 (180deg=-0.769) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 64:sc= 1.18 USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.038 (180deg=-0.299) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 21 ASN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0.483 (180deg=0.473) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0.304 (180deg=0.299) USER MOD Single : A 32 ASN : amide:sc= -0.482 K(o=-0.48,f=-4.5!) USER MOD Single : A 36 MET CE :methyl 163:sc= -1.16 (180deg=-1.95) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.14) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= 1.15 (180deg=0.73) USER MOD Single : A 48 THR OG1 : rot 65:sc= 0.787 USER MOD Single : A 49 MET CE :methyl 178:sc= -0.504 (180deg=-0.517) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 0.698 (180deg=0.422) USER MOD Single : A 53 THR OG1 : rot -86:sc= -2.69! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -178:sc= -0.977 (180deg=-0.997) 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= -0.118 X(o=-0.12,f=0) USER MOD Single : A 67 THR OG1 : rot -55:sc= 0.978 USER MOD Single : A 75 MET CE :methyl -173:sc= -0.752 (180deg=-0.89) USER MOD Single : A 77 ASN : amide:sc= -0.412 K(o=-0.41,f=-4!) USER MOD Single : A 78 SER OG : rot -34:sc= 0.271 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+ -178:sc= 0 (180deg=-0.00622) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -170:sc=-0.00748 (180deg=-0.11) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.445 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -9.333 0.755 16.129 1.00 41.55 N ATOM 110 CA ILE A 8 -7.978 0.279 15.740 1.00 52.31 C ATOM 111 C ILE A 8 -8.027 -1.201 15.283 1.00 22.40 C ATOM 112 O ILE A 8 -7.569 -1.523 14.194 1.00 4.20 O ATOM 113 CB ILE A 8 -6.926 0.488 16.932 1.00 12.13 C ATOM 114 CG1 ILE A 8 -6.269 1.909 16.883 1.00 63.12 C ATOM 115 CG2 ILE A 8 -5.808 -0.597 16.972 1.00 34.12 C ATOM 116 CD1 ILE A 8 -7.221 3.084 16.812 1.00 43.21 C ATOM 0 HA ILE A 8 -7.638 0.879 14.896 1.00 52.31 H new ATOM 0 HB ILE A 8 -7.512 0.390 17.846 1.00 12.13 H new ATOM 0 HG12 ILE A 8 -5.644 2.028 17.768 1.00 63.12 H new ATOM 0 HG13 ILE A 8 -5.608 1.951 16.017 1.00 63.12 H new ATOM 0 HG21 ILE A 8 -5.133 -0.393 17.803 1.00 34.12 H new ATOM 0 HG22 ILE A 8 -6.260 -1.580 17.105 1.00 34.12 H new ATOM 0 HG23 ILE A 8 -5.249 -0.578 16.037 1.00 34.12 H new ATOM 0 HD11 ILE A 8 -6.651 4.013 16.783 1.00 43.21 H new ATOM 0 HD12 ILE A 8 -7.831 3.004 15.912 1.00 43.21 H new ATOM 0 HD13 ILE A 8 -7.867 3.082 17.690 1.00 43.21 H new ATOM 128 N LYS A 9 -8.645 -2.066 16.110 1.00 51.31 N ATOM 129 CA LYS A 9 -8.765 -3.524 15.844 1.00 12.53 C ATOM 130 C LYS A 9 -9.488 -3.811 14.500 1.00 1.35 C ATOM 131 O LYS A 9 -9.064 -4.672 13.717 1.00 44.20 O ATOM 132 CB LYS A 9 -9.535 -4.202 17.011 1.00 11.41 C ATOM 133 CG LYS A 9 -8.920 -3.971 18.404 1.00 31.23 C ATOM 134 CD LYS A 9 -9.844 -4.484 19.532 1.00 51.32 C ATOM 135 CE LYS A 9 -9.332 -4.113 20.926 1.00 21.54 C ATOM 136 NZ LYS A 9 -8.046 -4.789 21.254 1.00 22.22 N ATOM 0 H LYS A 9 -9.079 -1.778 16.987 1.00 51.31 H new ATOM 0 HA LYS A 9 -7.758 -3.935 15.770 1.00 12.53 H new ATOM 0 HB2 LYS A 9 -10.561 -3.833 17.015 1.00 11.41 H new ATOM 0 HB3 LYS A 9 -9.583 -5.275 16.823 1.00 11.41 H new ATOM 0 HG2 LYS A 9 -7.957 -4.478 18.465 1.00 31.23 H new ATOM 0 HG3 LYS A 9 -8.730 -2.907 18.545 1.00 31.23 H new ATOM 0 HD2 LYS A 9 -10.843 -4.071 19.394 1.00 51.32 H new ATOM 0 HD3 LYS A 9 -9.934 -5.568 19.458 1.00 51.32 H new ATOM 0 HE2 LYS A 9 -9.198 -3.033 20.986 1.00 21.54 H new ATOM 0 HE3 LYS A 9 -10.082 -4.383 21.670 1.00 21.54 H new ATOM 0 HZ1 LYS A 9 -7.739 -4.507 22.207 1.00 22.22 H new ATOM 0 HZ2 LYS A 9 -8.178 -5.820 21.224 1.00 22.22 H new ATOM 0 HZ3 LYS A 9 -7.322 -4.512 20.561 1.00 22.22 H new ATOM 150 N LYS A 10 -10.568 -3.052 14.251 1.00 33.11 N ATOM 151 CA LYS A 10 -11.403 -3.192 13.039 1.00 53.41 C ATOM 152 C LYS A 10 -10.622 -2.819 11.754 1.00 14.43 C ATOM 153 O LYS A 10 -10.562 -3.610 10.799 1.00 33.31 O ATOM 154 CB LYS A 10 -12.671 -2.305 13.194 1.00 51.33 C ATOM 155 CG LYS A 10 -13.581 -2.733 14.367 1.00 70.41 C ATOM 156 CD LYS A 10 -14.787 -1.790 14.594 1.00 31.04 C ATOM 157 CE LYS A 10 -15.751 -2.339 15.664 1.00 3.14 C ATOM 158 NZ LYS A 10 -16.892 -1.427 15.934 1.00 13.21 N ATOM 0 H LYS A 10 -10.890 -2.321 14.885 1.00 33.11 H new ATOM 0 HA LYS A 10 -11.695 -4.237 12.935 1.00 53.41 H new ATOM 0 HB2 LYS A 10 -12.365 -1.269 13.341 1.00 51.33 H new ATOM 0 HB3 LYS A 10 -13.245 -2.339 12.268 1.00 51.33 H new ATOM 0 HG2 LYS A 10 -13.950 -3.742 14.180 1.00 70.41 H new ATOM 0 HG3 LYS A 10 -12.987 -2.775 15.280 1.00 70.41 H new ATOM 0 HD2 LYS A 10 -14.427 -0.807 14.899 1.00 31.04 H new ATOM 0 HD3 LYS A 10 -15.325 -1.655 13.655 1.00 31.04 H new ATOM 0 HE2 LYS A 10 -16.134 -3.306 15.339 1.00 3.14 H new ATOM 0 HE3 LYS A 10 -15.201 -2.509 16.589 1.00 3.14 H new ATOM 0 HZ1 LYS A 10 -17.507 -1.846 16.661 1.00 13.21 H new ATOM 0 HZ2 LYS A 10 -16.532 -0.511 16.271 1.00 13.21 H new ATOM 0 HZ3 LYS A 10 -17.437 -1.284 15.060 1.00 13.21 H new ATOM 172 N VAL A 11 -9.991 -1.629 11.758 1.00 15.31 N ATOM 173 CA VAL A 11 -9.236 -1.104 10.596 1.00 33.22 C ATOM 174 C VAL A 11 -7.876 -1.813 10.399 1.00 31.23 C ATOM 175 O VAL A 11 -7.304 -1.758 9.304 1.00 21.31 O ATOM 176 CB VAL A 11 -9.041 0.452 10.675 1.00 12.03 C ATOM 177 CG1 VAL A 11 -10.406 1.165 10.741 1.00 3.12 C ATOM 178 CG2 VAL A 11 -8.140 0.855 11.862 1.00 52.22 C ATOM 0 H VAL A 11 -9.988 -1.003 12.563 1.00 15.31 H new ATOM 0 HA VAL A 11 -9.848 -1.324 9.721 1.00 33.22 H new ATOM 0 HB VAL A 11 -8.532 0.771 9.766 1.00 12.03 H new ATOM 0 HG11 VAL A 11 -10.251 2.243 10.795 1.00 3.12 H new ATOM 0 HG12 VAL A 11 -10.985 0.926 9.849 1.00 3.12 H new ATOM 0 HG13 VAL A 11 -10.948 0.831 11.626 1.00 3.12 H new ATOM 0 HG21 VAL A 11 -8.029 1.939 11.883 1.00 52.22 H new ATOM 0 HG22 VAL A 11 -8.594 0.519 12.794 1.00 52.22 H new ATOM 0 HG23 VAL A 11 -7.160 0.392 11.748 1.00 52.22 H new ATOM 188 N THR A 12 -7.358 -2.458 11.468 1.00 25.31 N ATOM 189 CA THR A 12 -6.172 -3.342 11.374 1.00 32.45 C ATOM 190 C THR A 12 -6.454 -4.504 10.395 1.00 41.41 C ATOM 191 O THR A 12 -5.655 -4.769 9.509 1.00 52.31 O ATOM 192 CB THR A 12 -5.743 -3.915 12.780 1.00 62.15 C ATOM 193 OG1 THR A 12 -5.274 -2.854 13.634 1.00 3.14 O ATOM 194 CG2 THR A 12 -4.643 -4.995 12.695 1.00 61.20 C ATOM 0 H THR A 12 -7.743 -2.383 12.409 1.00 25.31 H new ATOM 0 HA THR A 12 -5.345 -2.738 11.000 1.00 32.45 H new ATOM 0 HB THR A 12 -6.637 -4.382 13.192 1.00 62.15 H new ATOM 0 HG1 THR A 12 -6.008 -2.230 13.814 1.00 3.14 H new ATOM 0 HG21 THR A 12 -4.397 -5.344 13.698 1.00 61.20 H new ATOM 0 HG22 THR A 12 -5.001 -5.833 12.097 1.00 61.20 H new ATOM 0 HG23 THR A 12 -3.753 -4.572 12.230 1.00 61.20 H new ATOM 202 N ASP A 13 -7.619 -5.164 10.540 1.00 62.44 N ATOM 203 CA ASP A 13 -8.019 -6.288 9.655 1.00 73.12 C ATOM 204 C ASP A 13 -8.463 -5.799 8.253 1.00 32.03 C ATOM 205 O ASP A 13 -8.291 -6.521 7.260 1.00 4.32 O ATOM 206 CB ASP A 13 -9.104 -7.152 10.332 1.00 40.05 C ATOM 207 CG ASP A 13 -8.600 -7.775 11.645 1.00 22.11 C ATOM 208 OD1 ASP A 13 -7.539 -8.450 11.624 1.00 24.24 O ATOM 209 OD2 ASP A 13 -9.234 -7.575 12.702 1.00 73.34 O ATOM 0 H ASP A 13 -8.305 -4.942 11.262 1.00 62.44 H new ATOM 0 HA ASP A 13 -7.140 -6.913 9.497 1.00 73.12 H new ATOM 0 HB2 ASP A 13 -9.983 -6.540 10.534 1.00 40.05 H new ATOM 0 HB3 ASP A 13 -9.416 -7.943 9.650 1.00 40.05 H new ATOM 214 N GLU A 14 -9.033 -4.570 8.180 1.00 12.53 N ATOM 215 CA GLU A 14 -9.281 -3.874 6.887 1.00 61.44 C ATOM 216 C GLU A 14 -7.958 -3.697 6.099 1.00 73.43 C ATOM 217 O GLU A 14 -7.919 -3.868 4.881 1.00 74.13 O ATOM 218 CB GLU A 14 -9.940 -2.481 7.116 1.00 42.04 C ATOM 219 CG GLU A 14 -11.345 -2.511 7.745 1.00 12.14 C ATOM 220 CD GLU A 14 -12.409 -3.168 6.844 1.00 5.14 C ATOM 221 OE1 GLU A 14 -12.805 -2.552 5.831 1.00 42.12 O ATOM 222 OE2 GLU A 14 -12.843 -4.306 7.138 1.00 35.31 O ATOM 0 H GLU A 14 -9.330 -4.039 8.999 1.00 12.53 H new ATOM 0 HA GLU A 14 -9.965 -4.493 6.307 1.00 61.44 H new ATOM 0 HB2 GLU A 14 -9.286 -1.889 7.757 1.00 42.04 H new ATOM 0 HB3 GLU A 14 -10.000 -1.964 6.158 1.00 42.04 H new ATOM 0 HG2 GLU A 14 -11.299 -3.050 8.691 1.00 12.14 H new ATOM 0 HG3 GLU A 14 -11.654 -1.491 7.974 1.00 12.14 H new ATOM 229 N LEU A 15 -6.880 -3.369 6.836 1.00 52.13 N ATOM 230 CA LEU A 15 -5.518 -3.223 6.285 1.00 0.04 C ATOM 231 C LEU A 15 -5.012 -4.541 5.619 1.00 1.43 C ATOM 232 O LEU A 15 -4.323 -4.476 4.610 1.00 41.44 O ATOM 233 CB LEU A 15 -4.567 -2.690 7.410 1.00 61.24 C ATOM 234 CG LEU A 15 -3.010 -2.641 7.122 1.00 61.14 C ATOM 235 CD1 LEU A 15 -2.349 -1.410 7.787 1.00 51.12 C ATOM 236 CD2 LEU A 15 -2.302 -3.942 7.597 1.00 24.43 C ATOM 0 H LEU A 15 -6.930 -3.196 7.840 1.00 52.13 H new ATOM 0 HA LEU A 15 -5.529 -2.491 5.478 1.00 0.04 H new ATOM 0 HB2 LEU A 15 -4.889 -1.680 7.666 1.00 61.24 H new ATOM 0 HB3 LEU A 15 -4.721 -3.307 8.295 1.00 61.24 H new ATOM 0 HG LEU A 15 -2.892 -2.556 6.042 1.00 61.14 H new ATOM 0 HD11 LEU A 15 -1.281 -1.408 7.569 1.00 51.12 H new ATOM 0 HD12 LEU A 15 -2.801 -0.499 7.396 1.00 51.12 H new ATOM 0 HD13 LEU A 15 -2.499 -1.455 8.866 1.00 51.12 H new ATOM 0 HD21 LEU A 15 -1.235 -3.874 7.384 1.00 24.43 H new ATOM 0 HD22 LEU A 15 -2.451 -4.066 8.670 1.00 24.43 H new ATOM 0 HD23 LEU A 15 -2.723 -4.798 7.071 1.00 24.43 H new ATOM 248 N LYS A 16 -5.394 -5.729 6.160 1.00 72.44 N ATOM 249 CA LYS A 16 -5.036 -7.052 5.542 1.00 62.22 C ATOM 250 C LYS A 16 -5.815 -7.288 4.226 1.00 34.12 C ATOM 251 O LYS A 16 -5.248 -7.780 3.244 1.00 31.31 O ATOM 252 CB LYS A 16 -5.302 -8.263 6.490 1.00 51.03 C ATOM 253 CG LYS A 16 -4.299 -8.462 7.648 1.00 44.12 C ATOM 254 CD LYS A 16 -4.310 -7.307 8.666 1.00 3.34 C ATOM 255 CE LYS A 16 -3.748 -7.698 10.034 1.00 32.14 C ATOM 256 NZ LYS A 16 -4.559 -8.773 10.670 1.00 63.24 N ATOM 0 H LYS A 16 -5.945 -5.807 7.015 1.00 72.44 H new ATOM 0 HA LYS A 16 -3.965 -6.995 5.345 1.00 62.22 H new ATOM 0 HB2 LYS A 16 -6.299 -8.150 6.917 1.00 51.03 H new ATOM 0 HB3 LYS A 16 -5.314 -9.172 5.888 1.00 51.03 H new ATOM 0 HG2 LYS A 16 -4.530 -9.394 8.164 1.00 44.12 H new ATOM 0 HG3 LYS A 16 -3.295 -8.565 7.237 1.00 44.12 H new ATOM 0 HD2 LYS A 16 -3.729 -6.475 8.267 1.00 3.34 H new ATOM 0 HD3 LYS A 16 -5.333 -6.951 8.790 1.00 3.34 H new ATOM 0 HE2 LYS A 16 -2.718 -8.036 9.922 1.00 32.14 H new ATOM 0 HE3 LYS A 16 -3.728 -6.823 10.684 1.00 32.14 H new ATOM 0 HZ1 LYS A 16 -4.342 -8.816 11.686 1.00 63.24 H new ATOM 0 HZ2 LYS A 16 -5.570 -8.568 10.540 1.00 63.24 H new ATOM 0 HZ3 LYS A 16 -4.332 -9.687 10.228 1.00 63.24 H new ATOM 270 N GLU A 17 -7.122 -6.954 4.241 1.00 62.52 N ATOM 271 CA GLU A 17 -7.986 -6.996 3.033 1.00 35.25 C ATOM 272 C GLU A 17 -7.425 -6.092 1.928 1.00 42.32 C ATOM 273 O GLU A 17 -7.469 -6.419 0.739 1.00 73.14 O ATOM 274 CB GLU A 17 -9.435 -6.559 3.396 1.00 52.33 C ATOM 275 CG GLU A 17 -10.137 -7.445 4.447 1.00 63.44 C ATOM 276 CD GLU A 17 -10.286 -8.916 4.005 1.00 44.43 C ATOM 277 OE1 GLU A 17 -11.164 -9.204 3.156 1.00 74.40 O ATOM 278 OE2 GLU A 17 -9.541 -9.791 4.511 1.00 51.52 O ATOM 0 H GLU A 17 -7.610 -6.649 5.083 1.00 62.52 H new ATOM 0 HA GLU A 17 -8.005 -8.021 2.661 1.00 35.25 H new ATOM 0 HB2 GLU A 17 -9.408 -5.534 3.766 1.00 52.33 H new ATOM 0 HB3 GLU A 17 -10.036 -6.554 2.487 1.00 52.33 H new ATOM 0 HG2 GLU A 17 -9.572 -7.408 5.378 1.00 63.44 H new ATOM 0 HG3 GLU A 17 -11.125 -7.034 4.657 1.00 63.44 H new ATOM 285 N LEU A 18 -6.845 -4.979 2.368 1.00 41.23 N ATOM 286 CA LEU A 18 -6.287 -3.959 1.492 1.00 25.23 C ATOM 287 C LEU A 18 -4.926 -4.407 0.909 1.00 53.41 C ATOM 288 O LEU A 18 -4.652 -4.178 -0.265 1.00 34.01 O ATOM 289 CB LEU A 18 -6.176 -2.629 2.288 1.00 21.22 C ATOM 290 CG LEU A 18 -6.309 -1.315 1.458 1.00 34.13 C ATOM 291 CD1 LEU A 18 -7.465 -1.419 0.443 1.00 65.20 C ATOM 292 CD2 LEU A 18 -6.502 -0.096 2.390 1.00 25.00 C ATOM 0 H LEU A 18 -6.749 -4.759 3.359 1.00 41.23 H new ATOM 0 HA LEU A 18 -6.945 -3.803 0.637 1.00 25.23 H new ATOM 0 HB2 LEU A 18 -6.946 -2.626 3.059 1.00 21.22 H new ATOM 0 HB3 LEU A 18 -5.213 -2.615 2.799 1.00 21.22 H new ATOM 0 HG LEU A 18 -5.384 -1.172 0.900 1.00 34.13 H new ATOM 0 HD11 LEU A 18 -7.537 -0.490 -0.123 1.00 65.20 H new ATOM 0 HD12 LEU A 18 -7.276 -2.247 -0.240 1.00 65.20 H new ATOM 0 HD13 LEU A 18 -8.401 -1.594 0.974 1.00 65.20 H new ATOM 0 HD21 LEU A 18 -6.593 0.810 1.790 1.00 25.00 H new ATOM 0 HD22 LEU A 18 -7.407 -0.231 2.983 1.00 25.00 H new ATOM 0 HD23 LEU A 18 -5.643 -0.007 3.055 1.00 25.00 H new ATOM 304 N ILE A 19 -4.090 -5.056 1.753 1.00 53.33 N ATOM 305 CA ILE A 19 -2.827 -5.705 1.313 1.00 43.54 C ATOM 306 C ILE A 19 -3.124 -6.752 0.213 1.00 13.31 C ATOM 307 O ILE A 19 -2.471 -6.755 -0.827 1.00 64.42 O ATOM 308 CB ILE A 19 -2.063 -6.386 2.533 1.00 2.24 C ATOM 309 CG1 ILE A 19 -1.496 -5.311 3.518 1.00 41.55 C ATOM 310 CG2 ILE A 19 -0.926 -7.346 2.076 1.00 34.03 C ATOM 311 CD1 ILE A 19 -0.848 -5.878 4.779 1.00 73.43 C ATOM 0 H ILE A 19 -4.268 -5.146 2.753 1.00 53.33 H new ATOM 0 HA ILE A 19 -2.176 -4.931 0.906 1.00 43.54 H new ATOM 0 HB ILE A 19 -2.806 -6.990 3.054 1.00 2.24 H new ATOM 0 HG12 ILE A 19 -0.760 -4.706 2.989 1.00 41.55 H new ATOM 0 HG13 ILE A 19 -2.306 -4.644 3.811 1.00 41.55 H new ATOM 0 HG21 ILE A 19 -0.442 -7.780 2.951 1.00 34.03 H new ATOM 0 HG22 ILE A 19 -1.347 -8.142 1.462 1.00 34.03 H new ATOM 0 HG23 ILE A 19 -0.192 -6.789 1.494 1.00 34.03 H new ATOM 0 HD11 ILE A 19 -0.485 -5.060 5.401 1.00 73.43 H new ATOM 0 HD12 ILE A 19 -1.583 -6.458 5.336 1.00 73.43 H new ATOM 0 HD13 ILE A 19 -0.013 -6.521 4.501 1.00 73.43 H new ATOM 323 N GLN A 20 -4.140 -7.607 0.460 1.00 63.55 N ATOM 324 CA GLN A 20 -4.593 -8.657 -0.489 1.00 65.22 C ATOM 325 C GLN A 20 -4.909 -8.072 -1.888 1.00 65.12 C ATOM 326 O GLN A 20 -4.343 -8.511 -2.897 1.00 44.44 O ATOM 327 CB GLN A 20 -5.851 -9.383 0.070 1.00 63.34 C ATOM 328 CG GLN A 20 -6.444 -10.464 -0.870 1.00 21.23 C ATOM 329 CD GLN A 20 -7.758 -11.076 -0.374 1.00 4.34 C ATOM 330 OE1 GLN A 20 -8.551 -10.429 0.303 1.00 22.34 O ATOM 331 NE2 GLN A 20 -8.010 -12.323 -0.724 1.00 54.32 N ATOM 0 H GLN A 20 -4.675 -7.591 1.328 1.00 63.55 H new ATOM 0 HA GLN A 20 -3.776 -9.370 -0.598 1.00 65.22 H new ATOM 0 HB2 GLN A 20 -5.593 -9.849 1.021 1.00 63.34 H new ATOM 0 HB3 GLN A 20 -6.621 -8.640 0.278 1.00 63.34 H new ATOM 0 HG2 GLN A 20 -6.610 -10.023 -1.853 1.00 21.23 H new ATOM 0 HG3 GLN A 20 -5.711 -11.260 -0.997 1.00 21.23 H new ATOM 0 HE21 GLN A 20 -7.335 -12.841 -1.287 1.00 54.32 H new ATOM 0 HE22 GLN A 20 -8.879 -12.769 -0.431 1.00 54.32 H new ATOM 340 N ASN A 21 -5.796 -7.058 -1.914 1.00 75.22 N ATOM 341 CA ASN A 21 -6.243 -6.402 -3.161 1.00 22.14 C ATOM 342 C ASN A 21 -5.069 -5.735 -3.920 1.00 1.23 C ATOM 343 O ASN A 21 -4.966 -5.869 -5.135 1.00 64.42 O ATOM 344 CB ASN A 21 -7.350 -5.360 -2.854 1.00 12.12 C ATOM 345 CG ASN A 21 -8.593 -5.941 -2.157 1.00 52.43 C ATOM 346 OD1 ASN A 21 -9.262 -5.253 -1.389 1.00 1.10 O ATOM 347 ND2 ASN A 21 -8.925 -7.201 -2.413 1.00 65.33 N ATOM 0 H ASN A 21 -6.223 -6.670 -1.073 1.00 75.22 H new ATOM 0 HA ASN A 21 -6.651 -7.177 -3.810 1.00 22.14 H new ATOM 0 HB2 ASN A 21 -6.929 -4.575 -2.225 1.00 12.12 H new ATOM 0 HB3 ASN A 21 -7.658 -4.890 -3.788 1.00 12.12 H new ATOM 0 HD21 ASN A 21 -9.746 -7.612 -1.970 1.00 65.33 H new ATOM 0 HD22 ASN A 21 -8.359 -7.758 -3.053 1.00 65.33 H new ATOM 354 N VAL A 22 -4.175 -5.049 -3.174 1.00 33.43 N ATOM 355 CA VAL A 22 -2.975 -4.400 -3.754 1.00 63.05 C ATOM 356 C VAL A 22 -1.982 -5.454 -4.324 1.00 15.43 C ATOM 357 O VAL A 22 -1.398 -5.217 -5.369 1.00 15.33 O ATOM 358 CB VAL A 22 -2.264 -3.443 -2.715 1.00 62.44 C ATOM 359 CG1 VAL A 22 -0.935 -2.855 -3.252 1.00 2.52 C ATOM 360 CG2 VAL A 22 -3.199 -2.289 -2.297 1.00 64.21 C ATOM 0 H VAL A 22 -4.261 -4.929 -2.165 1.00 33.43 H new ATOM 0 HA VAL A 22 -3.313 -3.780 -4.584 1.00 63.05 H new ATOM 0 HB VAL A 22 -2.030 -4.061 -1.848 1.00 62.44 H new ATOM 0 HG11 VAL A 22 -0.492 -2.206 -2.496 1.00 2.52 H new ATOM 0 HG12 VAL A 22 -0.245 -3.667 -3.483 1.00 2.52 H new ATOM 0 HG13 VAL A 22 -1.131 -2.278 -4.156 1.00 2.52 H new ATOM 0 HG21 VAL A 22 -2.686 -1.646 -1.582 1.00 64.21 H new ATOM 0 HG22 VAL A 22 -3.474 -1.707 -3.177 1.00 64.21 H new ATOM 0 HG23 VAL A 22 -4.098 -2.698 -1.837 1.00 64.21 H new ATOM 370 N ASN A 23 -1.826 -6.630 -3.655 1.00 3.13 N ATOM 371 CA ASN A 23 -1.005 -7.762 -4.198 1.00 2.53 C ATOM 372 C ASN A 23 -1.528 -8.189 -5.588 1.00 52.42 C ATOM 373 O ASN A 23 -0.754 -8.299 -6.544 1.00 43.44 O ATOM 374 CB ASN A 23 -0.992 -9.017 -3.265 1.00 5.42 C ATOM 375 CG ASN A 23 -0.063 -8.906 -2.053 1.00 11.34 C ATOM 376 OD1 ASN A 23 1.140 -9.050 -2.170 1.00 72.43 O ATOM 377 ND2 ASN A 23 -0.598 -8.716 -0.874 1.00 53.13 N ATOM 0 H ASN A 23 -2.251 -6.823 -2.748 1.00 3.13 H new ATOM 0 HA ASN A 23 0.015 -7.385 -4.267 1.00 2.53 H new ATOM 0 HB2 ASN A 23 -2.007 -9.200 -2.912 1.00 5.42 H new ATOM 0 HB3 ASN A 23 -0.697 -9.886 -3.853 1.00 5.42 H new ATOM 0 HD21 ASN A 23 -0.006 -8.688 -0.044 1.00 53.13 H new ATOM 0 HD22 ASN A 23 -1.607 -8.596 -0.785 1.00 53.13 H new ATOM 384 N ASP A 24 -2.854 -8.404 -5.673 1.00 23.04 N ATOM 385 CA ASP A 24 -3.537 -8.811 -6.915 1.00 51.34 C ATOM 386 C ASP A 24 -3.431 -7.745 -8.030 1.00 12.34 C ATOM 387 O ASP A 24 -3.210 -8.080 -9.196 1.00 75.43 O ATOM 388 CB ASP A 24 -5.020 -9.129 -6.623 1.00 21.32 C ATOM 389 CG ASP A 24 -5.191 -10.450 -5.856 1.00 74.31 C ATOM 390 OD1 ASP A 24 -4.871 -11.525 -6.422 1.00 51.01 O ATOM 391 OD2 ASP A 24 -5.627 -10.432 -4.689 1.00 55.01 O ATOM 0 H ASP A 24 -3.485 -8.300 -4.878 1.00 23.04 H new ATOM 0 HA ASP A 24 -3.032 -9.705 -7.280 1.00 51.34 H new ATOM 0 HB2 ASP A 24 -5.457 -8.316 -6.044 1.00 21.32 H new ATOM 0 HB3 ASP A 24 -5.570 -9.183 -7.563 1.00 21.32 H new ATOM 396 N ASP A 25 -3.603 -6.476 -7.663 1.00 42.10 N ATOM 397 CA ASP A 25 -3.485 -5.345 -8.601 1.00 54.35 C ATOM 398 C ASP A 25 -2.052 -5.214 -9.155 1.00 52.02 C ATOM 399 O ASP A 25 -1.882 -5.008 -10.353 1.00 4.30 O ATOM 400 CB ASP A 25 -3.950 -4.032 -7.919 1.00 62.03 C ATOM 401 CG ASP A 25 -5.474 -3.974 -7.677 1.00 24.44 C ATOM 402 OD1 ASP A 25 -6.240 -4.496 -8.523 1.00 22.22 O ATOM 403 OD2 ASP A 25 -5.915 -3.394 -6.664 1.00 54.53 O ATOM 0 H ASP A 25 -3.828 -6.196 -6.708 1.00 42.10 H new ATOM 0 HA ASP A 25 -4.137 -5.540 -9.452 1.00 54.35 H new ATOM 0 HB2 ASP A 25 -3.434 -3.924 -6.965 1.00 62.03 H new ATOM 0 HB3 ASP A 25 -3.655 -3.185 -8.539 1.00 62.03 H new ATOM 408 N ILE A 26 -1.036 -5.375 -8.277 1.00 63.22 N ATOM 409 CA ILE A 26 0.397 -5.390 -8.679 1.00 0.34 C ATOM 410 C ILE A 26 0.693 -6.576 -9.641 1.00 73.32 C ATOM 411 O ILE A 26 1.414 -6.403 -10.612 1.00 12.33 O ATOM 412 CB ILE A 26 1.365 -5.442 -7.423 1.00 12.21 C ATOM 413 CG1 ILE A 26 1.238 -4.140 -6.560 1.00 30.44 C ATOM 414 CG2 ILE A 26 2.842 -5.670 -7.841 1.00 34.25 C ATOM 415 CD1 ILE A 26 2.043 -4.133 -5.262 1.00 25.24 C ATOM 0 H ILE A 26 -1.180 -5.498 -7.275 1.00 63.22 H new ATOM 0 HA ILE A 26 0.590 -4.456 -9.206 1.00 0.34 H new ATOM 0 HB ILE A 26 1.055 -6.293 -6.817 1.00 12.21 H new ATOM 0 HG12 ILE A 26 1.552 -3.290 -7.167 1.00 30.44 H new ATOM 0 HG13 ILE A 26 0.187 -3.987 -6.316 1.00 30.44 H new ATOM 0 HG21 ILE A 26 3.471 -5.699 -6.952 1.00 34.25 H new ATOM 0 HG22 ILE A 26 2.927 -6.615 -8.377 1.00 34.25 H new ATOM 0 HG23 ILE A 26 3.167 -4.856 -8.489 1.00 34.25 H new ATOM 0 HD11 ILE A 26 1.885 -3.189 -4.741 1.00 25.24 H new ATOM 0 HD12 ILE A 26 1.716 -4.956 -4.627 1.00 25.24 H new ATOM 0 HD13 ILE A 26 3.102 -4.249 -5.490 1.00 25.24 H new ATOM 427 N LYS A 27 0.099 -7.762 -9.374 1.00 40.43 N ATOM 428 CA LYS A 27 0.190 -8.952 -10.279 1.00 74.44 C ATOM 429 C LYS A 27 -0.335 -8.622 -11.703 1.00 14.44 C ATOM 430 O LYS A 27 0.238 -9.051 -12.712 1.00 55.11 O ATOM 431 CB LYS A 27 -0.613 -10.144 -9.681 1.00 3.41 C ATOM 432 CG LYS A 27 0.017 -10.802 -8.425 1.00 14.32 C ATOM 433 CD LYS A 27 -1.000 -11.641 -7.601 1.00 63.02 C ATOM 434 CE LYS A 27 -1.718 -12.727 -8.427 1.00 5.45 C ATOM 435 NZ LYS A 27 -2.797 -13.394 -7.650 1.00 41.53 N ATOM 0 H LYS A 27 -0.455 -7.930 -8.534 1.00 40.43 H new ATOM 0 HA LYS A 27 1.241 -9.229 -10.361 1.00 74.44 H new ATOM 0 HB2 LYS A 27 -1.614 -9.795 -9.425 1.00 3.41 H new ATOM 0 HB3 LYS A 27 -0.728 -10.906 -10.451 1.00 3.41 H new ATOM 0 HG2 LYS A 27 0.842 -11.443 -8.734 1.00 14.32 H new ATOM 0 HG3 LYS A 27 0.438 -10.025 -7.788 1.00 14.32 H new ATOM 0 HD2 LYS A 27 -0.478 -12.115 -6.770 1.00 63.02 H new ATOM 0 HD3 LYS A 27 -1.745 -10.972 -7.170 1.00 63.02 H new ATOM 0 HE2 LYS A 27 -2.142 -12.278 -9.325 1.00 5.45 H new ATOM 0 HE3 LYS A 27 -0.993 -13.472 -8.755 1.00 5.45 H new ATOM 0 HZ1 LYS A 27 -3.310 -14.057 -8.266 1.00 41.53 H new ATOM 0 HZ2 LYS A 27 -2.379 -13.915 -6.853 1.00 41.53 H new ATOM 0 HZ3 LYS A 27 -3.457 -12.677 -7.287 1.00 41.53 H new ATOM 449 N GLU A 28 -1.420 -7.836 -11.760 1.00 42.43 N ATOM 450 CA GLU A 28 -2.018 -7.372 -13.029 1.00 3.31 C ATOM 451 C GLU A 28 -1.197 -6.221 -13.666 1.00 43.41 C ATOM 452 O GLU A 28 -1.273 -5.990 -14.874 1.00 12.40 O ATOM 453 CB GLU A 28 -3.497 -6.975 -12.826 1.00 64.42 C ATOM 454 CG GLU A 28 -4.392 -8.098 -12.240 1.00 65.42 C ATOM 455 CD GLU A 28 -4.296 -9.444 -12.997 1.00 33.40 C ATOM 456 OE1 GLU A 28 -4.913 -9.583 -14.073 1.00 3.12 O ATOM 457 OE2 GLU A 28 -3.578 -10.368 -12.528 1.00 1.12 O ATOM 0 H GLU A 28 -1.910 -7.502 -10.930 1.00 42.43 H new ATOM 0 HA GLU A 28 -1.990 -8.204 -13.733 1.00 3.31 H new ATOM 0 HB2 GLU A 28 -3.540 -6.111 -12.163 1.00 64.42 H new ATOM 0 HB3 GLU A 28 -3.910 -6.662 -13.785 1.00 64.42 H new ATOM 0 HG2 GLU A 28 -4.117 -8.260 -11.198 1.00 65.42 H new ATOM 0 HG3 GLU A 28 -5.429 -7.762 -12.248 1.00 65.42 H new ATOM 464 N VAL A 29 -0.440 -5.480 -12.839 1.00 60.25 N ATOM 465 CA VAL A 29 0.570 -4.516 -13.334 1.00 73.30 C ATOM 466 C VAL A 29 1.815 -5.261 -13.908 1.00 43.12 C ATOM 467 O VAL A 29 2.458 -4.797 -14.843 1.00 55.44 O ATOM 468 CB VAL A 29 1.045 -3.514 -12.215 1.00 33.23 C ATOM 469 CG1 VAL A 29 2.101 -2.548 -12.765 1.00 22.44 C ATOM 470 CG2 VAL A 29 -0.126 -2.717 -11.599 1.00 31.35 C ATOM 0 H VAL A 29 -0.505 -5.527 -11.822 1.00 60.25 H new ATOM 0 HA VAL A 29 0.083 -3.942 -14.123 1.00 73.30 H new ATOM 0 HB VAL A 29 1.484 -4.118 -11.421 1.00 33.23 H new ATOM 0 HG11 VAL A 29 2.415 -1.865 -11.976 1.00 22.44 H new ATOM 0 HG12 VAL A 29 2.962 -3.114 -13.119 1.00 22.44 H new ATOM 0 HG13 VAL A 29 1.677 -1.977 -13.591 1.00 22.44 H new ATOM 0 HG21 VAL A 29 0.256 -2.042 -10.834 1.00 31.35 H new ATOM 0 HG22 VAL A 29 -0.622 -2.139 -12.378 1.00 31.35 H new ATOM 0 HG23 VAL A 29 -0.840 -3.408 -11.150 1.00 31.35 H new ATOM 480 N GLU A 30 2.149 -6.421 -13.336 1.00 1.21 N ATOM 481 CA GLU A 30 3.311 -7.222 -13.785 1.00 13.12 C ATOM 482 C GLU A 30 3.085 -7.828 -15.199 1.00 44.45 C ATOM 483 O GLU A 30 4.045 -8.172 -15.888 1.00 52.42 O ATOM 484 CB GLU A 30 3.656 -8.296 -12.717 1.00 44.10 C ATOM 485 CG GLU A 30 4.187 -7.688 -11.390 1.00 15.11 C ATOM 486 CD GLU A 30 4.457 -8.722 -10.285 1.00 10.51 C ATOM 487 OE1 GLU A 30 5.537 -9.355 -10.311 1.00 64.35 O ATOM 488 OE2 GLU A 30 3.599 -8.914 -9.392 1.00 43.12 O ATOM 0 H GLU A 30 1.635 -6.835 -12.558 1.00 1.21 H new ATOM 0 HA GLU A 30 4.174 -6.563 -13.884 1.00 13.12 H new ATOM 0 HB2 GLU A 30 2.766 -8.890 -12.507 1.00 44.10 H new ATOM 0 HB3 GLU A 30 4.405 -8.976 -13.123 1.00 44.10 H new ATOM 0 HG2 GLU A 30 5.109 -7.144 -11.596 1.00 15.11 H new ATOM 0 HG3 GLU A 30 3.464 -6.960 -11.022 1.00 15.11 H new ATOM 495 N LYS A 31 1.811 -7.953 -15.624 1.00 14.11 N ATOM 496 CA LYS A 31 1.455 -8.267 -17.039 1.00 21.24 C ATOM 497 C LYS A 31 1.174 -6.965 -17.863 1.00 72.21 C ATOM 498 O LYS A 31 1.365 -6.945 -19.083 1.00 71.23 O ATOM 499 CB LYS A 31 0.236 -9.236 -17.081 1.00 20.13 C ATOM 500 CG LYS A 31 -1.056 -8.664 -16.473 1.00 54.02 C ATOM 501 CD LYS A 31 -2.240 -9.650 -16.467 1.00 61.12 C ATOM 502 CE LYS A 31 -1.995 -10.886 -15.581 1.00 5.40 C ATOM 503 NZ LYS A 31 -3.206 -11.736 -15.483 1.00 12.30 N ATOM 0 H LYS A 31 1.003 -7.842 -15.011 1.00 14.11 H new ATOM 0 HA LYS A 31 2.308 -8.762 -17.505 1.00 21.24 H new ATOM 0 HB2 LYS A 31 0.043 -9.512 -18.118 1.00 20.13 H new ATOM 0 HB3 LYS A 31 0.498 -10.152 -16.551 1.00 20.13 H new ATOM 0 HG2 LYS A 31 -0.854 -8.349 -15.449 1.00 54.02 H new ATOM 0 HG3 LYS A 31 -1.343 -7.772 -17.030 1.00 54.02 H new ATOM 0 HD2 LYS A 31 -3.134 -9.132 -16.119 1.00 61.12 H new ATOM 0 HD3 LYS A 31 -2.438 -9.976 -17.488 1.00 61.12 H new ATOM 0 HE2 LYS A 31 -1.172 -11.471 -15.991 1.00 5.40 H new ATOM 0 HE3 LYS A 31 -1.693 -10.566 -14.584 1.00 5.40 H new ATOM 0 HZ1 LYS A 31 -2.986 -12.592 -14.936 1.00 12.30 H new ATOM 0 HZ2 LYS A 31 -3.964 -11.206 -15.007 1.00 12.30 H new ATOM 0 HZ3 LYS A 31 -3.519 -12.006 -16.437 1.00 12.30 H new ATOM 517 N ASN A 32 0.730 -5.882 -17.171 1.00 3.42 N ATOM 518 CA ASN A 32 0.354 -4.576 -17.798 1.00 3.01 C ATOM 519 C ASN A 32 0.958 -3.364 -17.008 1.00 23.21 C ATOM 520 O ASN A 32 0.243 -2.698 -16.246 1.00 65.35 O ATOM 521 CB ASN A 32 -1.199 -4.464 -17.877 1.00 73.31 C ATOM 522 CG ASN A 32 -1.830 -5.333 -18.964 1.00 61.45 C ATOM 523 OD1 ASN A 32 -2.158 -6.490 -18.741 1.00 33.13 O ATOM 524 ND2 ASN A 32 -2.016 -4.780 -20.149 1.00 62.22 N ATOM 0 H ASN A 32 0.621 -5.886 -16.157 1.00 3.42 H new ATOM 0 HA ASN A 32 0.769 -4.544 -18.805 1.00 3.01 H new ATOM 0 HB2 ASN A 32 -1.623 -4.742 -16.912 1.00 73.31 H new ATOM 0 HB3 ASN A 32 -1.469 -3.423 -18.056 1.00 73.31 H new ATOM 0 HD21 ASN A 32 -2.442 -5.320 -20.903 1.00 62.22 H new ATOM 0 HD22 ASN A 32 -1.734 -3.813 -20.311 1.00 62.22 H new ATOM 531 N PRO A 33 2.310 -3.080 -17.147 1.00 10.33 N ATOM 532 CA PRO A 33 3.020 -2.045 -16.323 1.00 5.44 C ATOM 533 C PRO A 33 2.543 -0.586 -16.561 1.00 50.30 C ATOM 534 O PRO A 33 2.348 0.172 -15.605 1.00 74.43 O ATOM 535 CB PRO A 33 4.514 -2.234 -16.724 1.00 43.41 C ATOM 536 CG PRO A 33 4.463 -2.856 -18.086 1.00 21.23 C ATOM 537 CD PRO A 33 3.250 -3.762 -18.079 1.00 74.13 C ATOM 0 HA PRO A 33 2.822 -2.187 -15.261 1.00 5.44 H new ATOM 0 HB2 PRO A 33 5.043 -1.281 -16.743 1.00 43.41 H new ATOM 0 HB3 PRO A 33 5.037 -2.875 -16.014 1.00 43.41 H new ATOM 0 HG2 PRO A 33 4.378 -2.094 -18.861 1.00 21.23 H new ATOM 0 HG3 PRO A 33 5.372 -3.421 -18.293 1.00 21.23 H new ATOM 0 HD2 PRO A 33 2.821 -3.866 -19.076 1.00 74.13 H new ATOM 0 HD3 PRO A 33 3.500 -4.765 -17.733 1.00 74.13 H new ATOM 545 N GLU A 34 2.359 -0.219 -17.839 1.00 60.10 N ATOM 546 CA GLU A 34 2.022 1.165 -18.257 1.00 73.14 C ATOM 547 C GLU A 34 0.503 1.450 -18.206 1.00 74.10 C ATOM 548 O GLU A 34 0.075 2.596 -18.400 1.00 0.14 O ATOM 549 CB GLU A 34 2.579 1.402 -19.681 1.00 41.23 C ATOM 550 CG GLU A 34 4.106 1.194 -19.804 1.00 25.45 C ATOM 551 CD GLU A 34 4.586 1.152 -21.263 1.00 61.42 C ATOM 552 OE1 GLU A 34 4.496 0.072 -21.891 1.00 3.44 O ATOM 553 OE2 GLU A 34 5.025 2.195 -21.798 1.00 13.25 O ATOM 0 H GLU A 34 2.438 -0.871 -18.620 1.00 60.10 H new ATOM 0 HA GLU A 34 2.482 1.857 -17.552 1.00 73.14 H new ATOM 0 HB2 GLU A 34 2.074 0.728 -20.374 1.00 41.23 H new ATOM 0 HB3 GLU A 34 2.335 2.418 -19.990 1.00 41.23 H new ATOM 0 HG2 GLU A 34 4.621 1.999 -19.280 1.00 25.45 H new ATOM 0 HG3 GLU A 34 4.382 0.263 -19.309 1.00 25.45 H new ATOM 560 N ASP A 35 -0.307 0.404 -17.958 1.00 12.23 N ATOM 561 CA ASP A 35 -1.761 0.541 -17.754 1.00 11.54 C ATOM 562 C ASP A 35 -2.050 1.176 -16.369 1.00 62.54 C ATOM 563 O ASP A 35 -2.159 0.488 -15.340 1.00 71.43 O ATOM 564 CB ASP A 35 -2.454 -0.832 -17.934 1.00 61.14 C ATOM 565 CG ASP A 35 -2.383 -1.327 -19.389 1.00 43.23 C ATOM 566 OD1 ASP A 35 -1.294 -1.760 -19.830 1.00 2.01 O ATOM 567 OD2 ASP A 35 -3.406 -1.268 -20.109 1.00 31.31 O ATOM 0 H ASP A 35 0.027 -0.558 -17.894 1.00 12.23 H new ATOM 0 HA ASP A 35 -2.176 1.212 -18.506 1.00 11.54 H new ATOM 0 HB2 ASP A 35 -1.983 -1.565 -17.278 1.00 61.14 H new ATOM 0 HB3 ASP A 35 -3.497 -0.754 -17.628 1.00 61.14 H new ATOM 572 N MET A 36 -2.161 2.516 -16.382 1.00 2.41 N ATOM 573 CA MET A 36 -2.235 3.349 -15.174 1.00 72.40 C ATOM 574 C MET A 36 -3.524 3.174 -14.363 1.00 41.05 C ATOM 575 O MET A 36 -3.533 3.532 -13.202 1.00 44.01 O ATOM 576 CB MET A 36 -1.992 4.849 -15.536 1.00 70.11 C ATOM 577 CG MET A 36 -0.515 5.217 -15.510 1.00 44.31 C ATOM 578 SD MET A 36 0.144 4.963 -13.851 1.00 12.32 S ATOM 579 CE MET A 36 1.822 4.471 -14.185 1.00 53.44 C ATOM 0 H MET A 36 -2.202 3.056 -17.246 1.00 2.41 H new ATOM 0 HA MET A 36 -1.439 2.999 -14.516 1.00 72.40 H new ATOM 0 HB2 MET A 36 -2.397 5.052 -16.527 1.00 70.11 H new ATOM 0 HB3 MET A 36 -2.535 5.482 -14.834 1.00 70.11 H new ATOM 0 HG2 MET A 36 0.034 4.608 -16.227 1.00 44.31 H new ATOM 0 HG3 MET A 36 -0.384 6.257 -15.809 1.00 44.31 H new ATOM 0 HE1 MET A 36 2.419 4.575 -13.279 1.00 53.44 H new ATOM 0 HE2 MET A 36 1.838 3.432 -14.513 1.00 53.44 H new ATOM 0 HE3 MET A 36 2.238 5.105 -14.968 1.00 53.44 H new ATOM 589 N GLU A 37 -4.595 2.623 -14.953 1.00 14.43 N ATOM 590 CA GLU A 37 -5.863 2.338 -14.216 1.00 25.11 C ATOM 591 C GLU A 37 -5.634 1.494 -12.929 1.00 20.13 C ATOM 592 O GLU A 37 -6.251 1.761 -11.891 1.00 4.42 O ATOM 593 CB GLU A 37 -6.910 1.670 -15.165 1.00 0.34 C ATOM 594 CG GLU A 37 -7.823 2.664 -15.925 1.00 43.42 C ATOM 595 CD GLU A 37 -7.061 3.805 -16.635 1.00 0.12 C ATOM 596 OE1 GLU A 37 -6.424 3.545 -17.675 1.00 32.33 O ATOM 597 OE2 GLU A 37 -7.092 4.962 -16.149 1.00 13.21 O ATOM 0 H GLU A 37 -4.621 2.361 -15.938 1.00 14.43 H new ATOM 0 HA GLU A 37 -6.263 3.295 -13.880 1.00 25.11 H new ATOM 0 HB2 GLU A 37 -6.380 1.055 -15.893 1.00 0.34 H new ATOM 0 HB3 GLU A 37 -7.537 0.999 -14.577 1.00 0.34 H new ATOM 0 HG2 GLU A 37 -8.404 2.114 -16.665 1.00 43.42 H new ATOM 0 HG3 GLU A 37 -8.533 3.099 -15.222 1.00 43.42 H new ATOM 604 N TYR A 38 -4.714 0.521 -13.005 1.00 73.42 N ATOM 605 CA TYR A 38 -4.291 -0.294 -11.841 1.00 53.01 C ATOM 606 C TYR A 38 -3.420 0.510 -10.843 1.00 11.54 C ATOM 607 O TYR A 38 -3.534 0.312 -9.638 1.00 4.43 O ATOM 608 CB TYR A 38 -3.572 -1.589 -12.322 1.00 5.15 C ATOM 609 CG TYR A 38 -4.561 -2.711 -12.674 1.00 5.42 C ATOM 610 CD1 TYR A 38 -5.106 -3.513 -11.665 1.00 20.34 C ATOM 611 CD2 TYR A 38 -4.987 -2.941 -13.987 1.00 43.40 C ATOM 612 CE1 TYR A 38 -6.026 -4.498 -11.948 1.00 14.30 C ATOM 613 CE2 TYR A 38 -5.907 -3.936 -14.275 1.00 1.13 C ATOM 614 CZ TYR A 38 -6.425 -4.708 -13.250 1.00 22.34 C ATOM 615 OH TYR A 38 -7.356 -5.692 -13.527 1.00 75.25 O ATOM 0 H TYR A 38 -4.238 0.272 -13.872 1.00 73.42 H new ATOM 0 HA TYR A 38 -5.189 -0.582 -11.294 1.00 53.01 H new ATOM 0 HB2 TYR A 38 -2.961 -1.359 -13.195 1.00 5.15 H new ATOM 0 HB3 TYR A 38 -2.895 -1.937 -11.542 1.00 5.15 H new ATOM 0 HD1 TYR A 38 -4.798 -3.356 -10.642 1.00 20.34 H new ATOM 0 HD2 TYR A 38 -4.593 -2.334 -14.788 1.00 43.40 H new ATOM 0 HE1 TYR A 38 -6.433 -5.104 -11.152 1.00 14.30 H new ATOM 0 HE2 TYR A 38 -6.218 -4.108 -15.295 1.00 1.13 H new ATOM 0 HH TYR A 38 -7.532 -5.714 -14.491 1.00 75.25 H new ATOM 625 N TRP A 39 -2.574 1.431 -11.342 1.00 72.53 N ATOM 626 CA TRP A 39 -1.748 2.313 -10.472 1.00 52.11 C ATOM 627 C TRP A 39 -2.572 3.437 -9.792 1.00 41.33 C ATOM 628 O TRP A 39 -2.208 3.883 -8.709 1.00 42.30 O ATOM 629 CB TRP A 39 -0.540 2.907 -11.243 1.00 63.43 C ATOM 630 CG TRP A 39 0.600 1.931 -11.457 1.00 61.24 C ATOM 631 CD1 TRP A 39 1.110 1.487 -12.645 1.00 14.11 C ATOM 632 CD2 TRP A 39 1.357 1.260 -10.428 1.00 44.45 C ATOM 633 NE1 TRP A 39 2.162 0.643 -12.421 1.00 4.01 N ATOM 634 CE2 TRP A 39 2.320 0.469 -11.069 1.00 23.02 C ATOM 635 CE3 TRP A 39 1.317 1.256 -9.030 1.00 32.05 C ATOM 636 CZ2 TRP A 39 3.237 -0.308 -10.363 1.00 24.42 C ATOM 637 CZ3 TRP A 39 2.221 0.483 -8.331 1.00 64.24 C ATOM 638 CH2 TRP A 39 3.170 -0.294 -9.001 1.00 25.54 C ATOM 0 H TRP A 39 -2.439 1.589 -12.341 1.00 72.53 H new ATOM 0 HA TRP A 39 -1.367 1.674 -9.675 1.00 52.11 H new ATOM 0 HB2 TRP A 39 -0.883 3.266 -12.213 1.00 63.43 H new ATOM 0 HB3 TRP A 39 -0.165 3.773 -10.697 1.00 63.43 H new ATOM 0 HD1 TRP A 39 0.736 1.763 -13.620 1.00 14.11 H new ATOM 0 HE1 TRP A 39 2.738 0.211 -13.144 1.00 4.01 H new ATOM 0 HE3 TRP A 39 0.586 1.852 -8.503 1.00 32.05 H new ATOM 0 HZ2 TRP A 39 3.977 -0.902 -10.878 1.00 24.42 H new ATOM 0 HZ3 TRP A 39 2.195 0.478 -7.251 1.00 64.24 H new ATOM 0 HH2 TRP A 39 3.863 -0.894 -8.430 1.00 25.54 H new ATOM 649 N ASN A 40 -3.671 3.894 -10.431 1.00 50.21 N ATOM 650 CA ASN A 40 -4.621 4.850 -9.803 1.00 44.01 C ATOM 651 C ASN A 40 -5.345 4.167 -8.634 1.00 24.42 C ATOM 652 O ASN A 40 -5.594 4.790 -7.593 1.00 21.13 O ATOM 653 CB ASN A 40 -5.669 5.386 -10.813 1.00 63.51 C ATOM 654 CG ASN A 40 -5.093 6.338 -11.857 1.00 64.44 C ATOM 655 OD1 ASN A 40 -4.895 7.519 -11.600 1.00 53.33 O ATOM 656 ND2 ASN A 40 -4.877 5.855 -13.054 1.00 5.33 N ATOM 0 H ASN A 40 -3.926 3.619 -11.380 1.00 50.21 H new ATOM 0 HA ASN A 40 -4.039 5.700 -9.446 1.00 44.01 H new ATOM 0 HB2 ASN A 40 -6.133 4.541 -11.323 1.00 63.51 H new ATOM 0 HB3 ASN A 40 -6.458 5.899 -10.264 1.00 63.51 H new ATOM 0 HD21 ASN A 40 -4.536 6.466 -13.797 1.00 5.33 H new ATOM 0 HD22 ASN A 40 -5.049 4.868 -13.244 1.00 5.33 H new ATOM 663 N LYS A 41 -5.696 2.879 -8.843 1.00 21.23 N ATOM 664 CA LYS A 41 -6.237 2.016 -7.769 1.00 13.33 C ATOM 665 C LYS A 41 -5.243 1.916 -6.593 1.00 61.31 C ATOM 666 O LYS A 41 -5.574 2.308 -5.489 1.00 41.34 O ATOM 667 CB LYS A 41 -6.552 0.582 -8.279 1.00 72.21 C ATOM 668 CG LYS A 41 -7.713 0.472 -9.291 1.00 30.25 C ATOM 669 CD LYS A 41 -8.065 -1.003 -9.624 1.00 21.31 C ATOM 670 CE LYS A 41 -8.520 -1.793 -8.376 1.00 44.01 C ATOM 671 NZ LYS A 41 -8.778 -3.223 -8.669 1.00 30.20 N ATOM 0 H LYS A 41 -5.614 2.413 -9.747 1.00 21.23 H new ATOM 0 HA LYS A 41 -7.164 2.481 -7.434 1.00 13.33 H new ATOM 0 HB2 LYS A 41 -5.652 0.174 -8.740 1.00 72.21 H new ATOM 0 HB3 LYS A 41 -6.783 -0.047 -7.419 1.00 72.21 H new ATOM 0 HG2 LYS A 41 -8.594 0.971 -8.886 1.00 30.25 H new ATOM 0 HG3 LYS A 41 -7.443 0.995 -10.208 1.00 30.25 H new ATOM 0 HD2 LYS A 41 -8.856 -1.025 -10.374 1.00 21.31 H new ATOM 0 HD3 LYS A 41 -7.195 -1.492 -10.064 1.00 21.31 H new ATOM 0 HE2 LYS A 41 -7.755 -1.717 -7.603 1.00 44.01 H new ATOM 0 HE3 LYS A 41 -9.426 -1.339 -7.974 1.00 44.01 H new ATOM 0 HZ1 LYS A 41 -9.439 -3.608 -7.965 1.00 30.20 H new ATOM 0 HZ2 LYS A 41 -9.192 -3.314 -9.619 1.00 30.20 H new ATOM 0 HZ3 LYS A 41 -7.884 -3.752 -8.630 1.00 30.20 H new ATOM 685 N ILE A 42 -4.005 1.465 -6.876 1.00 10.11 N ATOM 686 CA ILE A 42 -2.955 1.245 -5.848 1.00 14.42 C ATOM 687 C ILE A 42 -2.597 2.562 -5.101 1.00 11.10 C ATOM 688 O ILE A 42 -2.372 2.548 -3.896 1.00 52.31 O ATOM 689 CB ILE A 42 -1.671 0.588 -6.497 1.00 63.40 C ATOM 690 CG1 ILE A 42 -2.026 -0.828 -7.071 1.00 65.34 C ATOM 691 CG2 ILE A 42 -0.480 0.497 -5.497 1.00 65.31 C ATOM 692 CD1 ILE A 42 -0.943 -1.481 -7.922 1.00 22.43 C ATOM 0 H ILE A 42 -3.699 1.241 -7.823 1.00 10.11 H new ATOM 0 HA ILE A 42 -3.355 0.554 -5.106 1.00 14.42 H new ATOM 0 HB ILE A 42 -1.346 1.236 -7.311 1.00 63.40 H new ATOM 0 HG12 ILE A 42 -2.258 -1.491 -6.238 1.00 65.34 H new ATOM 0 HG13 ILE A 42 -2.932 -0.741 -7.671 1.00 65.34 H new ATOM 0 HG21 ILE A 42 0.376 0.039 -5.992 1.00 65.31 H new ATOM 0 HG22 ILE A 42 -0.211 1.498 -5.159 1.00 65.31 H new ATOM 0 HG23 ILE A 42 -0.771 -0.109 -4.639 1.00 65.31 H new ATOM 0 HD11 ILE A 42 -1.290 -2.455 -8.268 1.00 22.43 H new ATOM 0 HD12 ILE A 42 -0.724 -0.847 -8.781 1.00 22.43 H new ATOM 0 HD13 ILE A 42 -0.040 -1.609 -7.326 1.00 22.43 H new ATOM 704 N TYR A 43 -2.598 3.691 -5.825 1.00 62.52 N ATOM 705 CA TYR A 43 -2.360 5.030 -5.230 1.00 32.10 C ATOM 706 C TYR A 43 -3.500 5.411 -4.241 1.00 54.33 C ATOM 707 O TYR A 43 -3.244 5.988 -3.181 1.00 34.35 O ATOM 708 CB TYR A 43 -2.218 6.096 -6.353 1.00 11.21 C ATOM 709 CG TYR A 43 -1.902 7.524 -5.862 1.00 20.43 C ATOM 710 CD1 TYR A 43 -0.722 7.800 -5.163 1.00 52.41 C ATOM 711 CD2 TYR A 43 -2.779 8.589 -6.089 1.00 25.22 C ATOM 712 CE1 TYR A 43 -0.436 9.075 -4.716 1.00 74.34 C ATOM 713 CE2 TYR A 43 -2.491 9.867 -5.643 1.00 53.33 C ATOM 714 CZ TYR A 43 -1.322 10.102 -4.956 1.00 44.44 C ATOM 715 OH TYR A 43 -1.035 11.376 -4.515 1.00 73.52 O ATOM 0 H TYR A 43 -2.762 3.711 -6.832 1.00 62.52 H new ATOM 0 HA TYR A 43 -1.429 4.997 -4.664 1.00 32.10 H new ATOM 0 HB2 TYR A 43 -1.429 5.780 -7.035 1.00 11.21 H new ATOM 0 HB3 TYR A 43 -3.144 6.122 -6.927 1.00 11.21 H new ATOM 0 HD1 TYR A 43 -0.022 7.001 -4.969 1.00 52.41 H new ATOM 0 HD2 TYR A 43 -3.700 8.411 -6.624 1.00 25.22 H new ATOM 0 HE1 TYR A 43 0.481 9.267 -4.179 1.00 74.34 H new ATOM 0 HE2 TYR A 43 -3.180 10.676 -5.833 1.00 53.33 H new ATOM 0 HH TYR A 43 -1.763 11.981 -4.768 1.00 73.52 H new ATOM 725 N ARG A 44 -4.754 5.077 -4.612 1.00 2.42 N ATOM 726 CA ARG A 44 -5.949 5.266 -3.744 1.00 41.03 C ATOM 727 C ARG A 44 -5.972 4.278 -2.541 1.00 42.23 C ATOM 728 O ARG A 44 -6.358 4.660 -1.434 1.00 72.20 O ATOM 729 CB ARG A 44 -7.261 5.142 -4.583 1.00 73.34 C ATOM 730 CG ARG A 44 -7.690 6.444 -5.304 1.00 54.12 C ATOM 731 CD ARG A 44 -8.924 6.256 -6.220 1.00 44.11 C ATOM 732 NE ARG A 44 -8.560 5.694 -7.541 1.00 43.44 N ATOM 733 CZ ARG A 44 -8.988 4.564 -8.060 1.00 51.54 C ATOM 734 NH1 ARG A 44 -9.685 3.713 -7.377 1.00 55.51 N ATOM 735 NH2 ARG A 44 -8.672 4.278 -9.277 1.00 70.44 N ATOM 0 H ARG A 44 -4.973 4.668 -5.521 1.00 2.42 H new ATOM 0 HA ARG A 44 -5.887 6.272 -3.329 1.00 41.03 H new ATOM 0 HB2 ARG A 44 -7.128 4.357 -5.327 1.00 73.34 H new ATOM 0 HB3 ARG A 44 -8.069 4.823 -3.925 1.00 73.34 H new ATOM 0 HG2 ARG A 44 -7.912 7.208 -4.559 1.00 54.12 H new ATOM 0 HG3 ARG A 44 -6.856 6.813 -5.900 1.00 54.12 H new ATOM 0 HD2 ARG A 44 -9.640 5.596 -5.731 1.00 44.11 H new ATOM 0 HD3 ARG A 44 -9.420 7.216 -6.360 1.00 44.11 H new ATOM 0 HE ARG A 44 -7.910 6.240 -8.107 1.00 43.44 H new ATOM 0 HH11 ARG A 44 -9.919 3.910 -6.404 1.00 55.51 H new ATOM 0 HH12 ARG A 44 -10.000 2.846 -7.812 1.00 55.51 H new ATOM 0 HH21 ARG A 44 -8.099 4.924 -9.820 1.00 70.44 H new ATOM 0 HH22 ARG A 44 -8.995 3.406 -9.696 1.00 70.44 H new ATOM 749 N LEU A 45 -5.555 3.023 -2.763 1.00 24.32 N ATOM 750 CA LEU A 45 -5.595 1.962 -1.727 1.00 13.52 C ATOM 751 C LEU A 45 -4.505 2.195 -0.658 1.00 4.32 C ATOM 752 O LEU A 45 -4.744 2.006 0.532 1.00 53.55 O ATOM 753 CB LEU A 45 -5.446 0.558 -2.373 1.00 23.10 C ATOM 754 CG LEU A 45 -6.530 0.167 -3.438 1.00 44.12 C ATOM 755 CD1 LEU A 45 -6.274 -1.238 -4.024 1.00 2.51 C ATOM 756 CD2 LEU A 45 -7.958 0.288 -2.869 1.00 42.23 C ATOM 0 H LEU A 45 -5.181 2.709 -3.658 1.00 24.32 H new ATOM 0 HA LEU A 45 -6.565 2.007 -1.233 1.00 13.52 H new ATOM 0 HB2 LEU A 45 -4.465 0.500 -2.845 1.00 23.10 H new ATOM 0 HB3 LEU A 45 -5.461 -0.188 -1.579 1.00 23.10 H new ATOM 0 HG LEU A 45 -6.445 0.881 -4.257 1.00 44.12 H new ATOM 0 HD11 LEU A 45 -7.046 -1.472 -4.757 1.00 2.51 H new ATOM 0 HD12 LEU A 45 -5.297 -1.259 -4.506 1.00 2.51 H new ATOM 0 HD13 LEU A 45 -6.299 -1.976 -3.223 1.00 2.51 H new ATOM 0 HD21 LEU A 45 -8.680 0.009 -3.636 1.00 42.23 H new ATOM 0 HD22 LEU A 45 -8.065 -0.376 -2.011 1.00 42.23 H new ATOM 0 HD23 LEU A 45 -8.139 1.317 -2.557 1.00 42.23 H new ATOM 768 N VAL A 46 -3.316 2.624 -1.107 1.00 35.53 N ATOM 769 CA VAL A 46 -2.200 3.027 -0.218 1.00 22.24 C ATOM 770 C VAL A 46 -2.494 4.397 0.458 1.00 65.11 C ATOM 771 O VAL A 46 -2.031 4.655 1.571 1.00 4.31 O ATOM 772 CB VAL A 46 -0.833 3.048 -1.004 1.00 21.15 C ATOM 773 CG1 VAL A 46 0.330 3.613 -0.152 1.00 15.22 C ATOM 774 CG2 VAL A 46 -0.488 1.626 -1.527 1.00 53.32 C ATOM 0 H VAL A 46 -3.094 2.704 -2.099 1.00 35.53 H new ATOM 0 HA VAL A 46 -2.111 2.284 0.574 1.00 22.24 H new ATOM 0 HB VAL A 46 -0.960 3.720 -1.853 1.00 21.15 H new ATOM 0 HG11 VAL A 46 1.248 3.606 -0.739 1.00 15.22 H new ATOM 0 HG12 VAL A 46 0.099 4.635 0.147 1.00 15.22 H new ATOM 0 HG13 VAL A 46 0.463 2.996 0.737 1.00 15.22 H new ATOM 0 HG21 VAL A 46 0.458 1.657 -2.067 1.00 53.32 H new ATOM 0 HG22 VAL A 46 -0.403 0.939 -0.685 1.00 53.32 H new ATOM 0 HG23 VAL A 46 -1.277 1.283 -2.196 1.00 53.32 H new ATOM 784 N HIS A 47 -3.284 5.261 -0.221 1.00 30.21 N ATOM 785 CA HIS A 47 -3.848 6.498 0.395 1.00 44.43 C ATOM 786 C HIS A 47 -4.819 6.139 1.546 1.00 71.05 C ATOM 787 O HIS A 47 -4.891 6.848 2.554 1.00 1.50 O ATOM 788 CB HIS A 47 -4.577 7.354 -0.674 1.00 33.21 C ATOM 789 CG HIS A 47 -5.329 8.559 -0.143 1.00 74.34 C ATOM 790 ND1 HIS A 47 -6.702 8.577 0.013 1.00 43.01 N ATOM 791 CD2 HIS A 47 -4.899 9.777 0.273 1.00 23.33 C ATOM 792 CE1 HIS A 47 -7.080 9.743 0.484 1.00 20.42 C ATOM 793 NE2 HIS A 47 -6.010 10.488 0.652 1.00 4.15 N ATOM 0 H HIS A 47 -3.549 5.129 -1.197 1.00 30.21 H new ATOM 0 HA HIS A 47 -3.024 7.081 0.806 1.00 44.43 H new ATOM 0 HB2 HIS A 47 -3.842 7.698 -1.402 1.00 33.21 H new ATOM 0 HB3 HIS A 47 -5.280 6.715 -1.208 1.00 33.21 H new ATOM 0 HD2 HIS A 47 -3.876 10.122 0.301 1.00 23.33 H new ATOM 0 HE1 HIS A 47 -8.096 10.039 0.697 1.00 20.42 H new ATOM 0 HE2 HIS A 47 -6.006 11.444 1.008 1.00 4.15 H new ATOM 802 N THR A 48 -5.561 5.033 1.370 1.00 3.53 N ATOM 803 CA THR A 48 -6.485 4.512 2.396 1.00 11.51 C ATOM 804 C THR A 48 -5.699 3.873 3.568 1.00 63.44 C ATOM 805 O THR A 48 -6.081 4.044 4.709 1.00 14.42 O ATOM 806 CB THR A 48 -7.502 3.485 1.788 1.00 73.41 C ATOM 807 OG1 THR A 48 -8.216 4.098 0.705 1.00 22.35 O ATOM 808 CG2 THR A 48 -8.513 2.958 2.833 1.00 13.23 C ATOM 0 H THR A 48 -5.539 4.475 0.516 1.00 3.53 H new ATOM 0 HA THR A 48 -7.058 5.356 2.781 1.00 11.51 H new ATOM 0 HB THR A 48 -6.924 2.632 1.433 1.00 73.41 H new ATOM 0 HG1 THR A 48 -7.592 4.309 -0.020 1.00 22.35 H new ATOM 0 HG21 THR A 48 -9.193 2.251 2.357 1.00 13.23 H new ATOM 0 HG22 THR A 48 -7.976 2.459 3.639 1.00 13.23 H new ATOM 0 HG23 THR A 48 -9.084 3.793 3.240 1.00 13.23 H new ATOM 816 N MET A 49 -4.584 3.165 3.269 1.00 44.33 N ATOM 817 CA MET A 49 -3.664 2.600 4.310 1.00 52.12 C ATOM 818 C MET A 49 -3.014 3.730 5.139 1.00 44.43 C ATOM 819 O MET A 49 -2.922 3.646 6.362 1.00 23.32 O ATOM 820 CB MET A 49 -2.541 1.752 3.664 1.00 15.40 C ATOM 821 CG MET A 49 -3.019 0.552 2.865 1.00 31.11 C ATOM 822 SD MET A 49 -1.662 -0.353 2.103 1.00 55.43 S ATOM 823 CE MET A 49 -2.558 -1.624 1.222 1.00 33.23 C ATOM 0 H MET A 49 -4.291 2.966 2.313 1.00 44.33 H new ATOM 0 HA MET A 49 -4.267 1.966 4.960 1.00 52.12 H new ATOM 0 HB2 MET A 49 -1.953 2.395 3.009 1.00 15.40 H new ATOM 0 HB3 MET A 49 -1.873 1.402 4.451 1.00 15.40 H new ATOM 0 HG2 MET A 49 -3.576 -0.118 3.520 1.00 31.11 H new ATOM 0 HG3 MET A 49 -3.709 0.887 2.090 1.00 31.11 H new ATOM 0 HE1 MET A 49 -1.856 -2.247 0.668 1.00 33.23 H new ATOM 0 HE2 MET A 49 -3.108 -2.241 1.933 1.00 33.23 H new ATOM 0 HE3 MET A 49 -3.258 -1.160 0.527 1.00 33.23 H new ATOM 833 N LYS A 50 -2.567 4.771 4.421 1.00 40.40 N ATOM 834 CA LYS A 50 -2.008 6.016 4.989 1.00 22.34 C ATOM 835 C LYS A 50 -3.019 6.684 5.948 1.00 73.32 C ATOM 836 O LYS A 50 -2.675 7.093 7.059 1.00 22.52 O ATOM 837 CB LYS A 50 -1.666 6.967 3.811 1.00 55.42 C ATOM 838 CG LYS A 50 -1.032 8.318 4.194 1.00 42.32 C ATOM 839 CD LYS A 50 -0.801 9.234 2.963 1.00 0.51 C ATOM 840 CE LYS A 50 -0.199 10.602 3.334 1.00 31.13 C ATOM 841 NZ LYS A 50 -1.065 11.360 4.283 1.00 15.21 N ATOM 0 H LYS A 50 -2.583 4.774 3.401 1.00 40.40 H new ATOM 0 HA LYS A 50 -1.111 5.792 5.566 1.00 22.34 H new ATOM 0 HB2 LYS A 50 -0.985 6.447 3.137 1.00 55.42 H new ATOM 0 HB3 LYS A 50 -2.581 7.163 3.252 1.00 55.42 H new ATOM 0 HG2 LYS A 50 -1.677 8.830 4.908 1.00 42.32 H new ATOM 0 HG3 LYS A 50 -0.080 8.141 4.695 1.00 42.32 H new ATOM 0 HD2 LYS A 50 -0.137 8.729 2.261 1.00 0.51 H new ATOM 0 HD3 LYS A 50 -1.750 9.388 2.449 1.00 0.51 H new ATOM 0 HE2 LYS A 50 0.785 10.455 3.780 1.00 31.13 H new ATOM 0 HE3 LYS A 50 -0.053 11.191 2.428 1.00 31.13 H new ATOM 0 HZ1 LYS A 50 -0.786 12.362 4.283 1.00 15.21 H new ATOM 0 HZ2 LYS A 50 -2.059 11.278 3.988 1.00 15.21 H new ATOM 0 HZ3 LYS A 50 -0.955 10.970 5.241 1.00 15.21 H new ATOM 855 N GLU A 51 -4.273 6.749 5.488 1.00 35.45 N ATOM 856 CA GLU A 51 -5.405 7.272 6.259 1.00 34.24 C ATOM 857 C GLU A 51 -5.715 6.395 7.506 1.00 50.22 C ATOM 858 O GLU A 51 -5.950 6.930 8.591 1.00 73.23 O ATOM 859 CB GLU A 51 -6.636 7.365 5.322 1.00 42.31 C ATOM 860 CG GLU A 51 -7.906 7.940 5.967 1.00 41.31 C ATOM 861 CD GLU A 51 -9.068 8.096 4.972 1.00 64.35 C ATOM 862 OE1 GLU A 51 -9.131 9.137 4.268 1.00 30.34 O ATOM 863 OE2 GLU A 51 -9.915 7.180 4.874 1.00 42.42 O ATOM 0 H GLU A 51 -4.534 6.434 4.554 1.00 35.45 H new ATOM 0 HA GLU A 51 -5.150 8.262 6.637 1.00 34.24 H new ATOM 0 HB2 GLU A 51 -6.373 7.982 4.463 1.00 42.31 H new ATOM 0 HB3 GLU A 51 -6.860 6.368 4.942 1.00 42.31 H new ATOM 0 HG2 GLU A 51 -8.219 7.289 6.783 1.00 41.31 H new ATOM 0 HG3 GLU A 51 -7.677 8.912 6.404 1.00 41.31 H new ATOM 870 N ILE A 52 -5.675 5.051 7.325 1.00 52.24 N ATOM 871 CA ILE A 52 -5.934 4.049 8.398 1.00 61.34 C ATOM 872 C ILE A 52 -4.927 4.209 9.560 1.00 61.32 C ATOM 873 O ILE A 52 -5.323 4.375 10.711 1.00 55.21 O ATOM 874 CB ILE A 52 -5.897 2.553 7.828 1.00 74.40 C ATOM 875 CG1 ILE A 52 -7.186 2.234 6.991 1.00 75.13 C ATOM 876 CG2 ILE A 52 -5.690 1.484 8.943 1.00 41.34 C ATOM 877 CD1 ILE A 52 -7.193 0.871 6.297 1.00 23.42 C ATOM 0 H ILE A 52 -5.460 4.625 6.423 1.00 52.24 H new ATOM 0 HA ILE A 52 -6.937 4.237 8.781 1.00 61.34 H new ATOM 0 HB ILE A 52 -5.029 2.498 7.171 1.00 74.40 H new ATOM 0 HG12 ILE A 52 -8.052 2.292 7.651 1.00 75.13 H new ATOM 0 HG13 ILE A 52 -7.309 3.009 6.235 1.00 75.13 H new ATOM 0 HG21 ILE A 52 -5.674 0.490 8.496 1.00 41.34 H new ATOM 0 HG22 ILE A 52 -4.744 1.668 9.453 1.00 41.34 H new ATOM 0 HG23 ILE A 52 -6.507 1.545 9.662 1.00 41.34 H new ATOM 0 HD11 ILE A 52 -8.125 0.748 5.746 1.00 23.42 H new ATOM 0 HD12 ILE A 52 -6.352 0.810 5.606 1.00 23.42 H new ATOM 0 HD13 ILE A 52 -7.106 0.082 7.044 1.00 23.42 H new ATOM 889 N THR A 53 -3.625 4.187 9.243 1.00 30.12 N ATOM 890 CA THR A 53 -2.560 4.260 10.266 1.00 53.32 C ATOM 891 C THR A 53 -2.527 5.628 10.989 1.00 21.51 C ATOM 892 O THR A 53 -2.315 5.676 12.199 1.00 62.14 O ATOM 893 CB THR A 53 -1.150 3.915 9.686 1.00 1.44 C ATOM 894 OG1 THR A 53 -0.161 4.040 10.692 1.00 32.41 O ATOM 895 CG2 THR A 53 -0.756 4.787 8.491 1.00 31.03 C ATOM 0 H THR A 53 -3.279 4.119 8.286 1.00 30.12 H new ATOM 0 HA THR A 53 -2.812 3.499 11.005 1.00 53.32 H new ATOM 0 HB THR A 53 -1.213 2.885 9.334 1.00 1.44 H new ATOM 0 HG1 THR A 53 0.142 4.971 10.739 1.00 32.41 H new ATOM 0 HG21 THR A 53 0.233 4.495 8.138 1.00 31.03 H new ATOM 0 HG22 THR A 53 -1.482 4.654 7.689 1.00 31.03 H new ATOM 0 HG23 THR A 53 -0.738 5.834 8.795 1.00 31.03 H new ATOM 903 N GLU A 54 -2.786 6.728 10.256 1.00 20.32 N ATOM 904 CA GLU A 54 -2.807 8.096 10.839 1.00 10.21 C ATOM 905 C GLU A 54 -4.037 8.340 11.746 1.00 53.15 C ATOM 906 O GLU A 54 -3.930 9.079 12.730 1.00 75.02 O ATOM 907 CB GLU A 54 -2.712 9.169 9.726 1.00 62.31 C ATOM 908 CG GLU A 54 -1.307 9.282 9.098 1.00 61.41 C ATOM 909 CD GLU A 54 -1.180 10.370 8.020 1.00 64.31 C ATOM 910 OE1 GLU A 54 -1.634 11.511 8.257 1.00 73.52 O ATOM 911 OE2 GLU A 54 -0.613 10.105 6.941 1.00 43.14 O ATOM 0 H GLU A 54 -2.985 6.702 9.256 1.00 20.32 H new ATOM 0 HA GLU A 54 -1.929 8.181 11.479 1.00 10.21 H new ATOM 0 HB2 GLU A 54 -3.433 8.934 8.943 1.00 62.31 H new ATOM 0 HB3 GLU A 54 -2.995 10.137 10.140 1.00 62.31 H new ATOM 0 HG2 GLU A 54 -0.584 9.484 9.888 1.00 61.41 H new ATOM 0 HG3 GLU A 54 -1.040 8.320 8.660 1.00 61.41 H new ATOM 918 N THR A 55 -5.198 7.726 11.422 1.00 63.13 N ATOM 919 CA THR A 55 -6.392 7.785 12.312 1.00 35.20 C ATOM 920 C THR A 55 -6.255 6.806 13.507 1.00 5.35 C ATOM 921 O THR A 55 -6.921 6.971 14.526 1.00 10.45 O ATOM 922 CB THR A 55 -7.751 7.556 11.552 1.00 4.53 C ATOM 923 OG1 THR A 55 -8.856 7.839 12.428 1.00 34.34 O ATOM 924 CG2 THR A 55 -7.916 6.131 11.001 1.00 12.42 C ATOM 0 H THR A 55 -5.338 7.190 10.565 1.00 63.13 H new ATOM 0 HA THR A 55 -6.424 8.804 12.698 1.00 35.20 H new ATOM 0 HB THR A 55 -7.737 8.236 10.700 1.00 4.53 H new ATOM 0 HG1 THR A 55 -9.699 7.696 11.948 1.00 34.34 H new ATOM 0 HG21 THR A 55 -8.875 6.047 10.490 1.00 12.42 H new ATOM 0 HG22 THR A 55 -7.111 5.917 10.298 1.00 12.42 H new ATOM 0 HG23 THR A 55 -7.879 5.416 11.823 1.00 12.42 H new ATOM 932 N MET A 56 -5.384 5.779 13.365 1.00 10.44 N ATOM 933 CA MET A 56 -4.970 4.912 14.500 1.00 0.40 C ATOM 934 C MET A 56 -3.929 5.620 15.413 1.00 25.23 C ATOM 935 O MET A 56 -3.793 5.273 16.591 1.00 50.34 O ATOM 936 CB MET A 56 -4.389 3.554 14.000 1.00 74.43 C ATOM 937 CG MET A 56 -5.408 2.620 13.329 1.00 73.10 C ATOM 938 SD MET A 56 -4.820 0.910 13.185 1.00 61.31 S ATOM 939 CE MET A 56 -3.364 1.076 12.148 1.00 12.41 C ATOM 0 H MET A 56 -4.953 5.528 12.475 1.00 10.44 H new ATOM 0 HA MET A 56 -5.869 4.715 15.085 1.00 0.40 H new ATOM 0 HB2 MET A 56 -3.585 3.758 13.293 1.00 74.43 H new ATOM 0 HB3 MET A 56 -3.943 3.033 14.847 1.00 74.43 H new ATOM 0 HG2 MET A 56 -6.335 2.632 13.902 1.00 73.10 H new ATOM 0 HG3 MET A 56 -5.643 3.002 12.335 1.00 73.10 H new ATOM 0 HE1 MET A 56 -2.937 0.091 11.960 1.00 12.41 H new ATOM 0 HE2 MET A 56 -3.643 1.538 11.201 1.00 12.41 H new ATOM 0 HE3 MET A 56 -2.627 1.700 12.653 1.00 12.41 H new ATOM 949 N GLY A 57 -3.200 6.600 14.846 1.00 3.22 N ATOM 950 CA GLY A 57 -2.171 7.361 15.582 1.00 52.01 C ATOM 951 C GLY A 57 -0.762 6.763 15.454 1.00 22.41 C ATOM 952 O GLY A 57 -0.028 6.668 16.441 1.00 42.15 O ATOM 0 H GLY A 57 -3.306 6.885 13.872 1.00 3.22 H new ATOM 0 HA2 GLY A 57 -2.157 8.387 15.215 1.00 52.01 H new ATOM 0 HA3 GLY A 57 -2.445 7.403 16.636 1.00 52.01 H new ATOM 956 N PHE A 58 -0.388 6.359 14.223 1.00 74.42 N ATOM 957 CA PHE A 58 0.938 5.787 13.900 1.00 15.51 C ATOM 958 C PHE A 58 1.598 6.551 12.722 1.00 40.43 C ATOM 959 O PHE A 58 1.322 6.279 11.550 1.00 3.35 O ATOM 960 CB PHE A 58 0.781 4.279 13.559 1.00 73.31 C ATOM 961 CG PHE A 58 0.393 3.388 14.741 1.00 52.42 C ATOM 962 CD1 PHE A 58 1.333 3.029 15.710 1.00 31.35 C ATOM 963 CD2 PHE A 58 -0.913 2.914 14.888 1.00 42.23 C ATOM 964 CE1 PHE A 58 0.977 2.232 16.783 1.00 60.11 C ATOM 965 CE2 PHE A 58 -1.268 2.118 15.961 1.00 4.24 C ATOM 966 CZ PHE A 58 -0.321 1.774 16.910 1.00 12.05 C ATOM 0 H PHE A 58 -1.006 6.421 13.414 1.00 74.42 H new ATOM 0 HA PHE A 58 1.590 5.891 14.767 1.00 15.51 H new ATOM 0 HB2 PHE A 58 0.025 4.174 12.780 1.00 73.31 H new ATOM 0 HB3 PHE A 58 1.720 3.916 13.142 1.00 73.31 H new ATOM 0 HD1 PHE A 58 2.351 3.378 15.620 1.00 31.35 H new ATOM 0 HD2 PHE A 58 -1.658 3.174 14.151 1.00 42.23 H new ATOM 0 HE1 PHE A 58 1.716 1.967 17.524 1.00 60.11 H new ATOM 0 HE2 PHE A 58 -2.284 1.765 16.059 1.00 4.24 H new ATOM 0 HZ PHE A 58 -0.595 1.150 17.747 1.00 12.05 H new ATOM 976 N SER A 59 2.459 7.526 13.049 1.00 44.04 N ATOM 977 CA SER A 59 3.226 8.306 12.044 1.00 61.01 C ATOM 978 C SER A 59 4.426 7.498 11.495 1.00 10.42 C ATOM 979 O SER A 59 4.846 7.701 10.353 1.00 41.22 O ATOM 980 CB SER A 59 3.719 9.629 12.667 1.00 5.10 C ATOM 981 OG SER A 59 4.512 9.390 13.821 1.00 43.02 O ATOM 0 H SER A 59 2.649 7.802 14.012 1.00 44.04 H new ATOM 0 HA SER A 59 2.560 8.525 11.209 1.00 61.01 H new ATOM 0 HB2 SER A 59 4.301 10.186 11.932 1.00 5.10 H new ATOM 0 HB3 SER A 59 2.863 10.250 12.933 1.00 5.10 H new ATOM 0 HG SER A 59 4.812 10.245 14.194 1.00 43.02 H new ATOM 987 N SER A 60 4.963 6.591 12.336 1.00 40.42 N ATOM 988 CA SER A 60 6.071 5.670 11.968 1.00 61.02 C ATOM 989 C SER A 60 5.678 4.744 10.791 1.00 23.03 C ATOM 990 O SER A 60 6.460 4.537 9.852 1.00 11.43 O ATOM 991 CB SER A 60 6.471 4.812 13.193 1.00 63.45 C ATOM 992 OG SER A 60 6.815 5.630 14.301 1.00 12.14 O ATOM 0 H SER A 60 4.642 6.472 13.297 1.00 40.42 H new ATOM 0 HA SER A 60 6.917 6.279 11.650 1.00 61.02 H new ATOM 0 HB2 SER A 60 5.645 4.154 13.465 1.00 63.45 H new ATOM 0 HB3 SER A 60 7.315 4.173 12.933 1.00 63.45 H new ATOM 0 HG SER A 60 7.062 5.064 15.062 1.00 12.14 H new ATOM 998 N VAL A 61 4.448 4.195 10.862 1.00 72.33 N ATOM 999 CA VAL A 61 3.880 3.343 9.792 1.00 4.34 C ATOM 1000 C VAL A 61 3.496 4.210 8.562 1.00 75.51 C ATOM 1001 O VAL A 61 3.777 3.838 7.421 1.00 61.44 O ATOM 1002 CB VAL A 61 2.621 2.539 10.296 1.00 54.44 C ATOM 1003 CG1 VAL A 61 2.091 1.560 9.214 1.00 61.45 C ATOM 1004 CG2 VAL A 61 2.909 1.795 11.630 1.00 4.53 C ATOM 0 H VAL A 61 3.822 4.327 11.657 1.00 72.33 H new ATOM 0 HA VAL A 61 4.645 2.623 9.503 1.00 4.34 H new ATOM 0 HB VAL A 61 1.837 3.271 10.489 1.00 54.44 H new ATOM 0 HG11 VAL A 61 1.223 1.025 9.601 1.00 61.45 H new ATOM 0 HG12 VAL A 61 1.805 2.121 8.324 1.00 61.45 H new ATOM 0 HG13 VAL A 61 2.872 0.845 8.956 1.00 61.45 H new ATOM 0 HG21 VAL A 61 2.017 1.253 11.944 1.00 4.53 H new ATOM 0 HG22 VAL A 61 3.729 1.092 11.485 1.00 4.53 H new ATOM 0 HG23 VAL A 61 3.183 2.518 12.398 1.00 4.53 H new ATOM 1014 N ALA A 62 2.889 5.390 8.825 1.00 32.01 N ATOM 1015 CA ALA A 62 2.470 6.356 7.768 1.00 45.25 C ATOM 1016 C ALA A 62 3.645 6.810 6.882 1.00 63.12 C ATOM 1017 O ALA A 62 3.453 7.076 5.694 1.00 30.14 O ATOM 1018 CB ALA A 62 1.801 7.584 8.395 1.00 34.44 C ATOM 0 H ALA A 62 2.674 5.704 9.771 1.00 32.01 H new ATOM 0 HA ALA A 62 1.758 5.830 7.132 1.00 45.25 H new ATOM 0 HB1 ALA A 62 1.502 8.277 7.608 1.00 34.44 H new ATOM 0 HB2 ALA A 62 0.921 7.272 8.957 1.00 34.44 H new ATOM 0 HB3 ALA A 62 2.503 8.078 9.066 1.00 34.44 H new ATOM 1024 N LYS A 63 4.846 6.908 7.488 1.00 65.54 N ATOM 1025 CA LYS A 63 6.111 7.226 6.783 1.00 24.10 C ATOM 1026 C LYS A 63 6.373 6.242 5.618 1.00 63.21 C ATOM 1027 O LYS A 63 6.749 6.651 4.511 1.00 15.33 O ATOM 1028 CB LYS A 63 7.298 7.161 7.784 1.00 25.34 C ATOM 1029 CG LYS A 63 8.685 7.492 7.171 1.00 0.02 C ATOM 1030 CD LYS A 63 9.867 7.109 8.092 1.00 2.21 C ATOM 1031 CE LYS A 63 9.956 5.588 8.339 1.00 24.11 C ATOM 1032 NZ LYS A 63 11.139 5.221 9.155 1.00 25.43 N ATOM 0 H LYS A 63 4.969 6.768 8.491 1.00 65.54 H new ATOM 0 HA LYS A 63 6.021 8.231 6.370 1.00 24.10 H new ATOM 0 HB2 LYS A 63 7.103 7.854 8.602 1.00 25.34 H new ATOM 0 HB3 LYS A 63 7.337 6.161 8.216 1.00 25.34 H new ATOM 0 HG2 LYS A 63 8.789 6.968 6.221 1.00 0.02 H new ATOM 0 HG3 LYS A 63 8.733 8.559 6.954 1.00 0.02 H new ATOM 0 HD2 LYS A 63 10.799 7.456 7.645 1.00 2.21 H new ATOM 0 HD3 LYS A 63 9.760 7.623 9.047 1.00 2.21 H new ATOM 0 HE2 LYS A 63 9.050 5.250 8.843 1.00 24.11 H new ATOM 0 HE3 LYS A 63 10.002 5.068 7.382 1.00 24.11 H new ATOM 0 HZ1 LYS A 63 11.158 4.191 9.295 1.00 25.43 H new ATOM 0 HZ2 LYS A 63 12.006 5.519 8.664 1.00 25.43 H new ATOM 0 HZ3 LYS A 63 11.084 5.695 10.079 1.00 25.43 H new ATOM 1046 N VAL A 64 6.158 4.943 5.898 1.00 74.23 N ATOM 1047 CA VAL A 64 6.339 3.855 4.916 1.00 15.43 C ATOM 1048 C VAL A 64 5.373 4.027 3.720 1.00 23.54 C ATOM 1049 O VAL A 64 5.808 4.134 2.581 1.00 71.44 O ATOM 1050 CB VAL A 64 6.121 2.442 5.584 1.00 72.24 C ATOM 1051 CG1 VAL A 64 6.353 1.284 4.577 1.00 34.31 C ATOM 1052 CG2 VAL A 64 7.008 2.277 6.847 1.00 33.32 C ATOM 0 H VAL A 64 5.853 4.616 6.815 1.00 74.23 H new ATOM 0 HA VAL A 64 7.365 3.910 4.551 1.00 15.43 H new ATOM 0 HB VAL A 64 5.078 2.390 5.898 1.00 72.24 H new ATOM 0 HG11 VAL A 64 6.193 0.329 5.077 1.00 34.31 H new ATOM 0 HG12 VAL A 64 5.655 1.380 3.745 1.00 34.31 H new ATOM 0 HG13 VAL A 64 7.375 1.329 4.200 1.00 34.31 H new ATOM 0 HG21 VAL A 64 6.837 1.294 7.286 1.00 33.32 H new ATOM 0 HG22 VAL A 64 8.058 2.372 6.569 1.00 33.32 H new ATOM 0 HG23 VAL A 64 6.753 3.048 7.574 1.00 33.32 H new ATOM 1062 N LEU A 65 4.069 4.129 4.015 1.00 5.33 N ATOM 1063 CA LEU A 65 2.998 4.257 2.986 1.00 42.34 C ATOM 1064 C LEU A 65 3.137 5.572 2.177 1.00 12.14 C ATOM 1065 O LEU A 65 2.795 5.621 0.992 1.00 44.44 O ATOM 1066 CB LEU A 65 1.582 4.169 3.647 1.00 34.41 C ATOM 1067 CG LEU A 65 1.139 2.764 4.186 1.00 73.43 C ATOM 1068 CD1 LEU A 65 1.112 1.711 3.057 1.00 31.42 C ATOM 1069 CD2 LEU A 65 2.015 2.292 5.358 1.00 43.03 C ATOM 0 H LEU A 65 3.715 4.126 4.972 1.00 5.33 H new ATOM 0 HA LEU A 65 3.112 3.425 2.290 1.00 42.34 H new ATOM 0 HB2 LEU A 65 1.549 4.876 4.476 1.00 34.41 H new ATOM 0 HB3 LEU A 65 0.845 4.500 2.916 1.00 34.41 H new ATOM 0 HG LEU A 65 0.124 2.877 4.566 1.00 73.43 H new ATOM 0 HD11 LEU A 65 0.801 0.749 3.464 1.00 31.42 H new ATOM 0 HD12 LEU A 65 0.408 2.023 2.285 1.00 31.42 H new ATOM 0 HD13 LEU A 65 2.108 1.617 2.623 1.00 31.42 H new ATOM 0 HD21 LEU A 65 1.672 1.315 5.699 1.00 43.03 H new ATOM 0 HD22 LEU A 65 3.052 2.218 5.030 1.00 43.03 H new ATOM 0 HD23 LEU A 65 1.943 3.008 6.177 1.00 43.03 H new ATOM 1081 N HIS A 66 3.682 6.610 2.833 1.00 4.14 N ATOM 1082 CA HIS A 66 3.937 7.933 2.226 1.00 72.41 C ATOM 1083 C HIS A 66 4.970 7.841 1.066 1.00 45.30 C ATOM 1084 O HIS A 66 4.922 8.640 0.117 1.00 3.41 O ATOM 1085 CB HIS A 66 4.419 8.912 3.325 1.00 23.44 C ATOM 1086 CG HIS A 66 4.525 10.350 2.895 1.00 21.14 C ATOM 1087 ND1 HIS A 66 5.685 10.913 2.413 1.00 50.11 N ATOM 1088 CD2 HIS A 66 3.605 11.339 2.897 1.00 64.14 C ATOM 1089 CE1 HIS A 66 5.476 12.178 2.133 1.00 0.04 C ATOM 1090 NE2 HIS A 66 4.226 12.468 2.420 1.00 54.10 N ATOM 0 H HIS A 66 3.962 6.556 3.812 1.00 4.14 H new ATOM 0 HA HIS A 66 3.009 8.306 1.793 1.00 72.41 H new ATOM 0 HB2 HIS A 66 3.734 8.851 4.170 1.00 23.44 H new ATOM 0 HB3 HIS A 66 5.395 8.582 3.681 1.00 23.44 H new ATOM 0 HD2 HIS A 66 2.576 11.258 3.214 1.00 64.14 H new ATOM 0 HE1 HIS A 66 6.208 12.865 1.734 1.00 0.04 H new ATOM 0 HE2 HIS A 66 3.788 13.382 2.307 1.00 54.10 H new ATOM 1099 N THR A 67 5.899 6.855 1.149 1.00 53.34 N ATOM 1100 CA THR A 67 6.939 6.659 0.097 1.00 40.33 C ATOM 1101 C THR A 67 6.339 6.008 -1.171 1.00 45.31 C ATOM 1102 O THR A 67 6.747 6.346 -2.283 1.00 70.31 O ATOM 1103 CB THR A 67 8.172 5.804 0.569 1.00 73.35 C ATOM 1104 OG1 THR A 67 7.804 4.430 0.763 1.00 24.41 O ATOM 1105 CG2 THR A 67 8.791 6.349 1.867 1.00 41.43 C ATOM 0 H THR A 67 5.953 6.190 1.921 1.00 53.34 H new ATOM 0 HA THR A 67 7.302 7.662 -0.126 1.00 40.33 H new ATOM 0 HB THR A 67 8.917 5.873 -0.224 1.00 73.35 H new ATOM 0 HG1 THR A 67 7.052 4.378 1.390 1.00 24.41 H new ATOM 0 HG21 THR A 67 9.639 5.727 2.155 1.00 41.43 H new ATOM 0 HG22 THR A 67 9.129 7.373 1.707 1.00 41.43 H new ATOM 0 HG23 THR A 67 8.044 6.334 2.661 1.00 41.43 H new ATOM 1113 N ILE A 68 5.354 5.086 -0.993 1.00 61.42 N ATOM 1114 CA ILE A 68 4.658 4.421 -2.132 1.00 43.32 C ATOM 1115 C ILE A 68 3.739 5.441 -2.852 1.00 55.41 C ATOM 1116 O ILE A 68 3.650 5.443 -4.077 1.00 3.14 O ATOM 1117 CB ILE A 68 3.817 3.138 -1.706 1.00 34.00 C ATOM 1118 CG1 ILE A 68 4.724 1.987 -1.142 1.00 1.32 C ATOM 1119 CG2 ILE A 68 2.957 2.597 -2.881 1.00 75.23 C ATOM 1120 CD1 ILE A 68 5.254 2.203 0.260 1.00 13.51 C ATOM 0 H ILE A 68 5.024 4.787 -0.075 1.00 61.42 H new ATOM 0 HA ILE A 68 5.437 4.066 -2.807 1.00 43.32 H new ATOM 0 HB ILE A 68 3.153 3.469 -0.907 1.00 34.00 H new ATOM 0 HG12 ILE A 68 4.154 1.058 -1.157 1.00 1.32 H new ATOM 0 HG13 ILE A 68 5.571 1.852 -1.815 1.00 1.32 H new ATOM 0 HG21 ILE A 68 2.398 1.722 -2.550 1.00 75.23 H new ATOM 0 HG22 ILE A 68 2.261 3.369 -3.208 1.00 75.23 H new ATOM 0 HG23 ILE A 68 3.608 2.320 -3.711 1.00 75.23 H new ATOM 0 HD11 ILE A 68 5.867 1.351 0.552 1.00 13.51 H new ATOM 0 HD12 ILE A 68 5.858 3.110 0.285 1.00 13.51 H new ATOM 0 HD13 ILE A 68 4.419 2.304 0.953 1.00 13.51 H new ATOM 1132 N MET A 69 3.078 6.312 -2.060 1.00 51.42 N ATOM 1133 CA MET A 69 2.269 7.451 -2.584 1.00 64.04 C ATOM 1134 C MET A 69 3.085 8.301 -3.588 1.00 42.22 C ATOM 1135 O MET A 69 2.665 8.527 -4.726 1.00 41.12 O ATOM 1136 CB MET A 69 1.797 8.347 -1.402 1.00 33.50 C ATOM 1137 CG MET A 69 0.802 7.681 -0.447 1.00 32.42 C ATOM 1138 SD MET A 69 -0.892 7.698 -1.070 1.00 11.40 S ATOM 1139 CE MET A 69 -1.255 9.457 -1.064 1.00 43.21 C ATOM 0 H MET A 69 3.085 6.252 -1.042 1.00 51.42 H new ATOM 0 HA MET A 69 1.404 7.043 -3.106 1.00 64.04 H new ATOM 0 HB2 MET A 69 2.671 8.662 -0.832 1.00 33.50 H new ATOM 0 HB3 MET A 69 1.340 9.249 -1.809 1.00 33.50 H new ATOM 0 HG2 MET A 69 1.109 6.650 -0.272 1.00 32.42 H new ATOM 0 HG3 MET A 69 0.834 8.191 0.516 1.00 32.42 H new ATOM 0 HE1 MET A 69 -2.335 9.606 -1.074 1.00 43.21 H new ATOM 0 HE2 MET A 69 -0.835 9.912 -0.167 1.00 43.21 H new ATOM 0 HE3 MET A 69 -0.816 9.922 -1.947 1.00 43.21 H new ATOM 1149 N ASN A 70 4.278 8.711 -3.146 1.00 5.21 N ATOM 1150 CA ASN A 70 5.217 9.523 -3.947 1.00 54.31 C ATOM 1151 C ASN A 70 5.722 8.746 -5.195 1.00 65.31 C ATOM 1152 O ASN A 70 5.782 9.289 -6.306 1.00 65.42 O ATOM 1153 CB ASN A 70 6.409 9.919 -3.048 1.00 12.42 C ATOM 1154 CG ASN A 70 7.321 10.965 -3.687 1.00 32.21 C ATOM 1155 OD1 ASN A 70 8.326 10.644 -4.313 1.00 24.00 O ATOM 1156 ND2 ASN A 70 6.959 12.231 -3.560 1.00 4.42 N ATOM 0 H ASN A 70 4.628 8.490 -2.214 1.00 5.21 H new ATOM 0 HA ASN A 70 4.700 10.412 -4.307 1.00 54.31 H new ATOM 0 HB2 ASN A 70 6.030 10.306 -2.102 1.00 12.42 H new ATOM 0 HB3 ASN A 70 6.994 9.029 -2.817 1.00 12.42 H new ATOM 0 HD21 ASN A 70 7.520 12.967 -3.988 1.00 4.42 H new ATOM 0 HD22 ASN A 70 6.119 12.471 -3.034 1.00 4.42 H new ATOM 1163 N LEU A 71 6.061 7.466 -4.963 1.00 32.31 N ATOM 1164 CA LEU A 71 6.639 6.550 -5.969 1.00 4.42 C ATOM 1165 C LEU A 71 5.682 6.373 -7.185 1.00 62.51 C ATOM 1166 O LEU A 71 6.057 6.632 -8.341 1.00 0.05 O ATOM 1167 CB LEU A 71 6.950 5.183 -5.255 1.00 61.30 C ATOM 1168 CG LEU A 71 7.909 4.171 -5.967 1.00 60.34 C ATOM 1169 CD1 LEU A 71 8.424 3.092 -4.972 1.00 74.33 C ATOM 1170 CD2 LEU A 71 7.243 3.489 -7.186 1.00 52.22 C ATOM 0 H LEU A 71 5.939 7.027 -4.051 1.00 32.31 H new ATOM 0 HA LEU A 71 7.562 6.965 -6.373 1.00 4.42 H new ATOM 0 HB2 LEU A 71 7.373 5.409 -4.276 1.00 61.30 H new ATOM 0 HB3 LEU A 71 6.001 4.675 -5.082 1.00 61.30 H new ATOM 0 HG LEU A 71 8.756 4.752 -6.332 1.00 60.34 H new ATOM 0 HD11 LEU A 71 9.088 2.403 -5.494 1.00 74.33 H new ATOM 0 HD12 LEU A 71 8.968 3.575 -4.161 1.00 74.33 H new ATOM 0 HD13 LEU A 71 7.577 2.541 -4.563 1.00 74.33 H new ATOM 0 HD21 LEU A 71 7.948 2.797 -7.646 1.00 52.22 H new ATOM 0 HD22 LEU A 71 6.359 2.942 -6.859 1.00 52.22 H new ATOM 0 HD23 LEU A 71 6.953 4.247 -7.913 1.00 52.22 H new ATOM 1182 N VAL A 72 4.447 5.940 -6.884 1.00 14.43 N ATOM 1183 CA VAL A 72 3.396 5.664 -7.886 1.00 11.13 C ATOM 1184 C VAL A 72 2.995 6.944 -8.658 1.00 52.10 C ATOM 1185 O VAL A 72 2.906 6.925 -9.893 1.00 44.24 O ATOM 1186 CB VAL A 72 2.130 5.021 -7.197 1.00 13.12 C ATOM 1187 CG1 VAL A 72 0.992 4.773 -8.213 1.00 41.30 C ATOM 1188 CG2 VAL A 72 2.503 3.704 -6.468 1.00 3.32 C ATOM 0 H VAL A 72 4.143 5.768 -5.926 1.00 14.43 H new ATOM 0 HA VAL A 72 3.805 4.955 -8.606 1.00 11.13 H new ATOM 0 HB VAL A 72 1.767 5.735 -6.458 1.00 13.12 H new ATOM 0 HG11 VAL A 72 0.138 4.330 -7.701 1.00 41.30 H new ATOM 0 HG12 VAL A 72 0.694 5.720 -8.664 1.00 41.30 H new ATOM 0 HG13 VAL A 72 1.341 4.095 -8.992 1.00 41.30 H new ATOM 0 HG21 VAL A 72 1.613 3.281 -6.002 1.00 3.32 H new ATOM 0 HG22 VAL A 72 2.909 2.992 -7.187 1.00 3.32 H new ATOM 0 HG23 VAL A 72 3.250 3.911 -5.702 1.00 3.32 H new ATOM 1198 N ASP A 73 2.802 8.053 -7.913 1.00 34.52 N ATOM 1199 CA ASP A 73 2.390 9.372 -8.469 1.00 44.32 C ATOM 1200 C ASP A 73 3.354 9.871 -9.586 1.00 61.00 C ATOM 1201 O ASP A 73 2.929 10.531 -10.541 1.00 62.04 O ATOM 1202 CB ASP A 73 2.301 10.409 -7.316 1.00 24.14 C ATOM 1203 CG ASP A 73 1.719 11.766 -7.756 1.00 44.51 C ATOM 1204 OD1 ASP A 73 0.480 11.868 -7.900 1.00 34.53 O ATOM 1205 OD2 ASP A 73 2.489 12.728 -7.965 1.00 42.43 O ATOM 0 H ASP A 73 2.927 8.065 -6.901 1.00 34.52 H new ATOM 0 HA ASP A 73 1.411 9.252 -8.934 1.00 44.32 H new ATOM 0 HB2 ASP A 73 1.684 10.000 -6.516 1.00 24.14 H new ATOM 0 HB3 ASP A 73 3.297 10.566 -6.901 1.00 24.14 H new ATOM 1210 N LYS A 74 4.650 9.533 -9.458 1.00 52.34 N ATOM 1211 CA LYS A 74 5.680 9.868 -10.468 1.00 35.42 C ATOM 1212 C LYS A 74 5.549 9.002 -11.739 1.00 43.54 C ATOM 1213 O LYS A 74 5.704 9.503 -12.850 1.00 65.51 O ATOM 1214 CB LYS A 74 7.088 9.728 -9.851 1.00 54.41 C ATOM 1215 CG LYS A 74 7.465 10.897 -8.919 1.00 72.22 C ATOM 1216 CD LYS A 74 8.850 10.734 -8.266 1.00 10.14 C ATOM 1217 CE LYS A 74 8.957 9.494 -7.359 1.00 11.32 C ATOM 1218 NZ LYS A 74 10.259 9.438 -6.650 1.00 25.34 N ATOM 0 H LYS A 74 5.016 9.021 -8.655 1.00 52.34 H new ATOM 0 HA LYS A 74 5.525 10.903 -10.772 1.00 35.42 H new ATOM 0 HB2 LYS A 74 7.140 8.794 -9.291 1.00 54.41 H new ATOM 0 HB3 LYS A 74 7.823 9.660 -10.653 1.00 54.41 H new ATOM 0 HG2 LYS A 74 7.447 11.827 -9.488 1.00 72.22 H new ATOM 0 HG3 LYS A 74 6.711 10.987 -8.137 1.00 72.22 H new ATOM 0 HD2 LYS A 74 9.607 10.669 -9.048 1.00 10.14 H new ATOM 0 HD3 LYS A 74 9.074 11.625 -7.679 1.00 10.14 H new ATOM 0 HE2 LYS A 74 8.147 9.507 -6.630 1.00 11.32 H new ATOM 0 HE3 LYS A 74 8.832 8.593 -7.959 1.00 11.32 H new ATOM 0 HZ1 LYS A 74 10.291 8.589 -6.050 1.00 25.34 H new ATOM 0 HZ2 LYS A 74 11.032 9.400 -7.345 1.00 25.34 H new ATOM 0 HZ3 LYS A 74 10.368 10.285 -6.057 1.00 25.34 H new ATOM 1232 N MET A 75 5.262 7.705 -11.563 1.00 54.22 N ATOM 1233 CA MET A 75 5.091 6.765 -12.697 1.00 62.24 C ATOM 1234 C MET A 75 3.879 7.139 -13.591 1.00 70.54 C ATOM 1235 O MET A 75 3.902 6.859 -14.798 1.00 50.03 O ATOM 1236 CB MET A 75 5.002 5.305 -12.197 1.00 75.20 C ATOM 1237 CG MET A 75 6.296 4.810 -11.526 1.00 13.01 C ATOM 1238 SD MET A 75 6.333 3.020 -11.272 1.00 73.50 S ATOM 1239 CE MET A 75 4.992 2.782 -10.119 1.00 42.34 C ATOM 0 H MET A 75 5.142 7.275 -10.646 1.00 54.22 H new ATOM 0 HA MET A 75 5.978 6.850 -13.325 1.00 62.24 H new ATOM 0 HB2 MET A 75 4.178 5.221 -11.488 1.00 75.20 H new ATOM 0 HB3 MET A 75 4.766 4.654 -13.039 1.00 75.20 H new ATOM 0 HG2 MET A 75 7.149 5.100 -12.140 1.00 13.01 H new ATOM 0 HG3 MET A 75 6.411 5.309 -10.564 1.00 13.01 H new ATOM 0 HE1 MET A 75 4.982 1.746 -9.782 1.00 42.34 H new ATOM 0 HE2 MET A 75 5.128 3.441 -9.262 1.00 42.34 H new ATOM 0 HE3 MET A 75 4.046 3.013 -10.608 1.00 42.34 H new ATOM 1249 N LEU A 76 2.831 7.763 -12.980 1.00 31.34 N ATOM 1250 CA LEU A 76 1.619 8.294 -13.698 1.00 65.32 C ATOM 1251 C LEU A 76 1.998 9.156 -14.943 1.00 74.21 C ATOM 1252 O LEU A 76 1.247 9.210 -15.923 1.00 10.33 O ATOM 1253 CB LEU A 76 0.733 9.143 -12.706 1.00 34.12 C ATOM 1254 CG LEU A 76 -0.469 8.416 -12.001 1.00 21.45 C ATOM 1255 CD1 LEU A 76 -1.557 8.012 -13.018 1.00 52.53 C ATOM 1256 CD2 LEU A 76 -0.003 7.204 -11.167 1.00 72.34 C ATOM 0 H LEU A 76 2.797 7.916 -11.972 1.00 31.34 H new ATOM 0 HA LEU A 76 1.052 7.435 -14.057 1.00 65.32 H new ATOM 0 HB2 LEU A 76 1.386 9.542 -11.930 1.00 34.12 H new ATOM 0 HB3 LEU A 76 0.334 9.995 -13.257 1.00 34.12 H new ATOM 0 HG LEU A 76 -0.911 9.131 -11.307 1.00 21.45 H new ATOM 0 HD11 LEU A 76 -2.374 7.512 -12.498 1.00 52.53 H new ATOM 0 HD12 LEU A 76 -1.937 8.903 -13.518 1.00 52.53 H new ATOM 0 HD13 LEU A 76 -1.130 7.335 -13.758 1.00 52.53 H new ATOM 0 HD21 LEU A 76 -0.866 6.732 -10.698 1.00 72.34 H new ATOM 0 HD22 LEU A 76 0.495 6.485 -11.817 1.00 72.34 H new ATOM 0 HD23 LEU A 76 0.692 7.538 -10.396 1.00 72.34 H new ATOM 1268 N ASN A 77 3.154 9.841 -14.872 1.00 64.41 N ATOM 1269 CA ASN A 77 3.745 10.574 -16.018 1.00 11.22 C ATOM 1270 C ASN A 77 4.932 9.778 -16.623 1.00 73.34 C ATOM 1271 O ASN A 77 5.818 9.295 -15.902 1.00 73.43 O ATOM 1272 CB ASN A 77 4.159 12.023 -15.610 1.00 30.25 C ATOM 1273 CG ASN A 77 4.765 12.112 -14.208 1.00 31.22 C ATOM 1274 OD1 ASN A 77 5.966 12.056 -14.030 1.00 4.31 O ATOM 1275 ND2 ASN A 77 3.927 12.231 -13.199 1.00 50.13 N ATOM 0 H ASN A 77 3.709 9.905 -14.019 1.00 64.41 H new ATOM 0 HA ASN A 77 2.985 10.669 -16.793 1.00 11.22 H new ATOM 0 HB2 ASN A 77 4.880 12.404 -16.334 1.00 30.25 H new ATOM 0 HB3 ASN A 77 3.284 12.670 -15.661 1.00 30.25 H new ATOM 0 HD21 ASN A 77 4.282 12.278 -12.244 1.00 50.13 H new ATOM 0 HD22 ASN A 77 2.923 12.276 -13.373 1.00 50.13 H new ATOM 1282 N SER A 78 4.939 9.687 -17.969 1.00 63.00 N ATOM 1283 CA SER A 78 5.912 8.886 -18.758 1.00 0.43 C ATOM 1284 C SER A 78 7.343 9.492 -18.750 1.00 14.44 C ATOM 1285 O SER A 78 8.287 8.874 -19.251 1.00 54.15 O ATOM 1286 CB SER A 78 5.397 8.743 -20.214 1.00 70.13 C ATOM 1287 OG SER A 78 6.217 7.880 -20.994 1.00 60.13 O ATOM 0 H SER A 78 4.259 10.174 -18.553 1.00 63.00 H new ATOM 0 HA SER A 78 5.989 7.906 -18.286 1.00 0.43 H new ATOM 0 HB2 SER A 78 4.377 8.358 -20.200 1.00 70.13 H new ATOM 0 HB3 SER A 78 5.360 9.727 -20.682 1.00 70.13 H new ATOM 0 HG SER A 78 7.150 7.968 -20.707 1.00 60.13 H new ATOM 1293 N GLU A 79 7.495 10.693 -18.160 1.00 32.22 N ATOM 1294 CA GLU A 79 8.805 11.376 -18.016 1.00 73.11 C ATOM 1295 C GLU A 79 9.684 10.662 -16.966 1.00 31.43 C ATOM 1296 O GLU A 79 10.917 10.716 -17.011 1.00 5.42 O ATOM 1297 CB GLU A 79 8.563 12.856 -17.634 1.00 2.01 C ATOM 1298 CG GLU A 79 7.977 13.093 -16.234 1.00 22.31 C ATOM 1299 CD GLU A 79 7.644 14.568 -15.973 1.00 51.54 C ATOM 1300 OE1 GLU A 79 6.546 15.023 -16.369 1.00 61.25 O ATOM 1301 OE2 GLU A 79 8.493 15.282 -15.397 1.00 45.54 O ATOM 0 H GLU A 79 6.716 11.221 -17.768 1.00 32.22 H new ATOM 0 HA GLU A 79 9.342 11.337 -18.964 1.00 73.11 H new ATOM 0 HB2 GLU A 79 9.510 13.391 -17.707 1.00 2.01 H new ATOM 0 HB3 GLU A 79 7.890 13.297 -18.369 1.00 2.01 H new ATOM 0 HG2 GLU A 79 7.074 12.495 -16.117 1.00 22.31 H new ATOM 0 HG3 GLU A 79 8.688 12.747 -15.484 1.00 22.31 H new ATOM 1308 N ILE A 80 9.005 10.002 -16.019 1.00 73.31 N ATOM 1309 CA ILE A 80 9.614 9.107 -15.024 1.00 3.52 C ATOM 1310 C ILE A 80 9.463 7.646 -15.511 1.00 75.34 C ATOM 1311 O ILE A 80 10.453 6.917 -15.651 1.00 21.42 O ATOM 1312 CB ILE A 80 8.893 9.289 -13.640 1.00 51.12 C ATOM 1313 CG1 ILE A 80 8.880 10.802 -13.214 1.00 70.11 C ATOM 1314 CG2 ILE A 80 9.512 8.381 -12.540 1.00 31.40 C ATOM 1315 CD1 ILE A 80 10.173 11.335 -12.608 1.00 41.40 C ATOM 0 H ILE A 80 7.993 10.077 -15.920 1.00 73.31 H new ATOM 0 HA ILE A 80 10.671 9.346 -14.904 1.00 3.52 H new ATOM 0 HB ILE A 80 7.858 8.969 -13.759 1.00 51.12 H new ATOM 0 HG12 ILE A 80 8.637 11.404 -14.090 1.00 70.11 H new ATOM 0 HG13 ILE A 80 8.076 10.949 -12.493 1.00 70.11 H new ATOM 0 HG21 ILE A 80 8.984 8.538 -11.599 1.00 31.40 H new ATOM 0 HG22 ILE A 80 9.421 7.336 -12.837 1.00 31.40 H new ATOM 0 HG23 ILE A 80 10.565 8.631 -12.411 1.00 31.40 H new ATOM 0 HD11 ILE A 80 10.048 12.387 -12.352 1.00 41.40 H new ATOM 0 HD12 ILE A 80 10.413 10.769 -11.708 1.00 41.40 H new ATOM 0 HD13 ILE A 80 10.983 11.230 -13.330 1.00 41.40 H new ATOM 1327 N LYS A 81 8.186 7.257 -15.755 1.00 73.20 N ATOM 1328 CA LYS A 81 7.778 5.943 -16.313 1.00 4.20 C ATOM 1329 C LYS A 81 8.037 4.757 -15.334 1.00 4.34 C ATOM 1330 O LYS A 81 8.828 4.842 -14.389 1.00 15.41 O ATOM 1331 CB LYS A 81 8.426 5.707 -17.720 1.00 74.44 C ATOM 1332 CG LYS A 81 7.844 4.515 -18.523 1.00 22.22 C ATOM 1333 CD LYS A 81 8.556 4.271 -19.869 1.00 14.02 C ATOM 1334 CE LYS A 81 8.068 2.978 -20.550 1.00 65.03 C ATOM 1335 NZ LYS A 81 8.754 2.725 -21.843 1.00 71.25 N ATOM 0 H LYS A 81 7.390 7.866 -15.564 1.00 73.20 H new ATOM 0 HA LYS A 81 6.697 5.976 -16.447 1.00 4.20 H new ATOM 0 HB2 LYS A 81 8.310 6.615 -18.312 1.00 74.44 H new ATOM 0 HB3 LYS A 81 9.496 5.547 -17.587 1.00 74.44 H new ATOM 0 HG2 LYS A 81 7.912 3.612 -17.917 1.00 22.22 H new ATOM 0 HG3 LYS A 81 6.785 4.695 -18.709 1.00 22.22 H new ATOM 0 HD2 LYS A 81 8.381 5.119 -20.531 1.00 14.02 H new ATOM 0 HD3 LYS A 81 9.632 4.211 -19.705 1.00 14.02 H new ATOM 0 HE2 LYS A 81 8.235 2.133 -19.882 1.00 65.03 H new ATOM 0 HE3 LYS A 81 6.993 3.043 -20.719 1.00 65.03 H new ATOM 0 HZ1 LYS A 81 8.392 1.845 -22.262 1.00 71.25 H new ATOM 0 HZ2 LYS A 81 8.574 3.517 -22.492 1.00 71.25 H new ATOM 0 HZ3 LYS A 81 9.777 2.636 -21.681 1.00 71.25 H new ATOM 1349 N ILE A 82 7.332 3.648 -15.599 1.00 3.13 N ATOM 1350 CA ILE A 82 7.317 2.442 -14.762 1.00 5.13 C ATOM 1351 C ILE A 82 8.554 1.574 -15.096 1.00 0.33 C ATOM 1352 O ILE A 82 8.627 0.970 -16.174 1.00 60.14 O ATOM 1353 CB ILE A 82 5.981 1.609 -14.989 1.00 43.23 C ATOM 1354 CG1 ILE A 82 4.695 2.512 -14.939 1.00 63.14 C ATOM 1355 CG2 ILE A 82 5.871 0.452 -13.975 1.00 50.42 C ATOM 1356 CD1 ILE A 82 4.378 3.247 -16.242 1.00 54.01 C ATOM 0 H ILE A 82 6.740 3.564 -16.425 1.00 3.13 H new ATOM 0 HA ILE A 82 7.351 2.739 -13.714 1.00 5.13 H new ATOM 0 HB ILE A 82 6.041 1.189 -15.993 1.00 43.23 H new ATOM 0 HG12 ILE A 82 3.841 1.890 -14.672 1.00 63.14 H new ATOM 0 HG13 ILE A 82 4.815 3.247 -14.143 1.00 63.14 H new ATOM 0 HG21 ILE A 82 4.949 -0.101 -14.153 1.00 50.42 H new ATOM 0 HG22 ILE A 82 6.724 -0.217 -14.092 1.00 50.42 H new ATOM 0 HG23 ILE A 82 5.863 0.855 -12.962 1.00 50.42 H new ATOM 0 HD11 ILE A 82 3.475 3.844 -16.113 1.00 54.01 H new ATOM 0 HD12 ILE A 82 5.211 3.900 -16.503 1.00 54.01 H new ATOM 0 HD13 ILE A 82 4.222 2.521 -17.040 1.00 54.01 H new ATOM 1368 N THR A 83 9.527 1.516 -14.165 1.00 52.31 N ATOM 1369 CA THR A 83 10.882 0.964 -14.446 1.00 11.41 C ATOM 1370 C THR A 83 10.967 -0.590 -14.247 1.00 35.42 C ATOM 1371 O THR A 83 12.056 -1.132 -14.044 1.00 33.11 O ATOM 1372 CB THR A 83 11.960 1.713 -13.562 1.00 34.03 C ATOM 1373 OG1 THR A 83 11.611 3.104 -13.440 1.00 51.15 O ATOM 1374 CG2 THR A 83 13.393 1.619 -14.147 1.00 25.14 C ATOM 0 H THR A 83 9.406 1.844 -13.207 1.00 52.31 H new ATOM 0 HA THR A 83 11.092 1.141 -15.501 1.00 11.41 H new ATOM 0 HB THR A 83 11.959 1.219 -12.590 1.00 34.03 H new ATOM 0 HG1 THR A 83 12.281 3.562 -12.890 1.00 51.15 H new ATOM 0 HG21 THR A 83 14.087 2.151 -13.497 1.00 25.14 H new ATOM 0 HG22 THR A 83 13.690 0.573 -14.215 1.00 25.14 H new ATOM 0 HG23 THR A 83 13.410 2.067 -15.141 1.00 25.14 H new ATOM 1382 N SER A 84 9.802 -1.291 -14.342 1.00 52.21 N ATOM 1383 CA SER A 84 9.688 -2.785 -14.256 1.00 21.25 C ATOM 1384 C SER A 84 10.108 -3.342 -12.864 1.00 41.22 C ATOM 1385 O SER A 84 9.262 -3.794 -12.089 1.00 3.23 O ATOM 1386 CB SER A 84 10.467 -3.492 -15.402 1.00 50.14 C ATOM 1387 OG SER A 84 9.948 -3.135 -16.677 1.00 21.44 O ATOM 0 H SER A 84 8.901 -0.833 -14.482 1.00 52.21 H new ATOM 0 HA SER A 84 8.630 -3.014 -14.381 1.00 21.25 H new ATOM 0 HB2 SER A 84 11.522 -3.222 -15.348 1.00 50.14 H new ATOM 0 HB3 SER A 84 10.407 -4.573 -15.272 1.00 50.14 H new ATOM 0 HG SER A 84 10.458 -3.593 -17.378 1.00 21.44 H new ATOM 1393 N ASP A 85 11.418 -3.303 -12.558 1.00 22.05 N ATOM 1394 CA ASP A 85 11.961 -3.644 -11.223 1.00 32.23 C ATOM 1395 C ASP A 85 11.482 -2.651 -10.136 1.00 23.14 C ATOM 1396 O ASP A 85 11.565 -2.947 -8.949 1.00 15.44 O ATOM 1397 CB ASP A 85 13.505 -3.663 -11.268 1.00 40.43 C ATOM 1398 CG ASP A 85 14.063 -4.723 -12.228 1.00 5.02 C ATOM 1399 OD1 ASP A 85 14.044 -4.490 -13.462 1.00 45.14 O ATOM 1400 OD2 ASP A 85 14.507 -5.799 -11.762 1.00 2.05 O ATOM 0 H ASP A 85 12.136 -3.033 -13.231 1.00 22.05 H new ATOM 0 HA ASP A 85 11.588 -4.634 -10.960 1.00 32.23 H new ATOM 0 HB2 ASP A 85 13.866 -2.680 -11.571 1.00 40.43 H new ATOM 0 HB3 ASP A 85 13.890 -3.850 -10.266 1.00 40.43 H new ATOM 1405 N LEU A 86 11.016 -1.463 -10.550 1.00 54.51 N ATOM 1406 CA LEU A 86 10.470 -0.451 -9.618 1.00 51.34 C ATOM 1407 C LEU A 86 9.111 -0.892 -9.016 1.00 1.22 C ATOM 1408 O LEU A 86 8.785 -0.558 -7.870 1.00 44.41 O ATOM 1409 CB LEU A 86 10.323 0.913 -10.321 1.00 41.22 C ATOM 1410 CG LEU A 86 9.989 2.110 -9.383 1.00 40.34 C ATOM 1411 CD1 LEU A 86 11.166 2.441 -8.431 1.00 25.12 C ATOM 1412 CD2 LEU A 86 9.538 3.338 -10.193 1.00 22.43 C ATOM 0 H LEU A 86 11.004 -1.174 -11.528 1.00 54.51 H new ATOM 0 HA LEU A 86 11.180 -0.353 -8.797 1.00 51.34 H new ATOM 0 HB2 LEU A 86 11.251 1.134 -10.849 1.00 41.22 H new ATOM 0 HB3 LEU A 86 9.539 0.833 -11.074 1.00 41.22 H new ATOM 0 HG LEU A 86 9.153 1.812 -8.751 1.00 40.34 H new ATOM 0 HD11 LEU A 86 10.893 3.282 -7.793 1.00 25.12 H new ATOM 0 HD12 LEU A 86 11.388 1.572 -7.811 1.00 25.12 H new ATOM 0 HD13 LEU A 86 12.046 2.702 -9.018 1.00 25.12 H new ATOM 0 HD21 LEU A 86 9.311 4.159 -9.513 1.00 22.43 H new ATOM 0 HD22 LEU A 86 10.336 3.639 -10.872 1.00 22.43 H new ATOM 0 HD23 LEU A 86 8.647 3.087 -10.769 1.00 22.43 H new ATOM 1424 N ILE A 87 8.315 -1.630 -9.819 1.00 31.12 N ATOM 1425 CA ILE A 87 7.079 -2.308 -9.346 1.00 73.42 C ATOM 1426 C ILE A 87 7.392 -3.248 -8.136 1.00 4.24 C ATOM 1427 O ILE A 87 6.568 -3.415 -7.232 1.00 42.14 O ATOM 1428 CB ILE A 87 6.417 -3.180 -10.492 1.00 55.03 C ATOM 1429 CG1 ILE A 87 6.269 -2.377 -11.823 1.00 55.03 C ATOM 1430 CG2 ILE A 87 5.046 -3.764 -10.058 1.00 11.53 C ATOM 1431 CD1 ILE A 87 5.814 -3.206 -13.026 1.00 13.33 C ATOM 0 H ILE A 87 8.506 -1.775 -10.810 1.00 31.12 H new ATOM 0 HA ILE A 87 6.386 -1.523 -9.044 1.00 73.42 H new ATOM 0 HB ILE A 87 7.096 -4.013 -10.674 1.00 55.03 H new ATOM 0 HG12 ILE A 87 5.555 -1.569 -11.666 1.00 55.03 H new ATOM 0 HG13 ILE A 87 7.227 -1.914 -12.060 1.00 55.03 H new ATOM 0 HG21 ILE A 87 4.628 -4.355 -10.873 1.00 11.53 H new ATOM 0 HG22 ILE A 87 5.182 -4.399 -9.182 1.00 11.53 H new ATOM 0 HG23 ILE A 87 4.364 -2.949 -9.813 1.00 11.53 H new ATOM 0 HD11 ILE A 87 5.740 -2.564 -13.903 1.00 13.33 H new ATOM 0 HD12 ILE A 87 6.538 -3.998 -13.217 1.00 13.33 H new ATOM 0 HD13 ILE A 87 4.840 -3.647 -12.816 1.00 13.33 H new ATOM 1443 N ASP A 88 8.617 -3.837 -8.149 1.00 13.45 N ATOM 1444 CA ASP A 88 9.100 -4.762 -7.100 1.00 21.55 C ATOM 1445 C ASP A 88 9.354 -4.018 -5.765 1.00 54.35 C ATOM 1446 O ASP A 88 9.251 -4.611 -4.692 1.00 23.23 O ATOM 1447 CB ASP A 88 10.383 -5.476 -7.583 1.00 61.44 C ATOM 1448 CG ASP A 88 10.885 -6.561 -6.612 1.00 14.21 C ATOM 1449 OD1 ASP A 88 10.318 -7.676 -6.607 1.00 4.32 O ATOM 1450 OD2 ASP A 88 11.850 -6.305 -5.852 1.00 51.10 O ATOM 0 H ASP A 88 9.297 -3.680 -8.893 1.00 13.45 H new ATOM 0 HA ASP A 88 8.327 -5.507 -6.915 1.00 21.55 H new ATOM 0 HB2 ASP A 88 10.192 -5.930 -8.555 1.00 61.44 H new ATOM 0 HB3 ASP A 88 11.170 -4.735 -7.726 1.00 61.44 H new ATOM 1455 N LYS A 89 9.692 -2.714 -5.849 1.00 43.13 N ATOM 1456 CA LYS A 89 9.867 -1.854 -4.657 1.00 22.34 C ATOM 1457 C LYS A 89 8.504 -1.614 -3.962 1.00 5.53 C ATOM 1458 O LYS A 89 8.408 -1.657 -2.735 1.00 12.42 O ATOM 1459 CB LYS A 89 10.559 -0.510 -5.042 1.00 23.11 C ATOM 1460 CG LYS A 89 12.102 -0.594 -5.212 1.00 45.41 C ATOM 1461 CD LYS A 89 12.554 -1.563 -6.334 1.00 10.11 C ATOM 1462 CE LYS A 89 14.085 -1.716 -6.432 1.00 12.32 C ATOM 1463 NZ LYS A 89 14.760 -0.430 -6.744 1.00 2.12 N ATOM 0 H LYS A 89 9.850 -2.231 -6.733 1.00 43.13 H new ATOM 0 HA LYS A 89 10.518 -2.366 -3.948 1.00 22.34 H new ATOM 0 HB2 LYS A 89 10.124 -0.148 -5.974 1.00 23.11 H new ATOM 0 HB3 LYS A 89 10.332 0.231 -4.276 1.00 23.11 H new ATOM 0 HG2 LYS A 89 12.490 0.402 -5.426 1.00 45.41 H new ATOM 0 HG3 LYS A 89 12.546 -0.912 -4.269 1.00 45.41 H new ATOM 0 HD2 LYS A 89 12.109 -2.542 -6.159 1.00 10.11 H new ATOM 0 HD3 LYS A 89 12.170 -1.205 -7.289 1.00 10.11 H new ATOM 0 HE2 LYS A 89 14.470 -2.107 -5.490 1.00 12.32 H new ATOM 0 HE3 LYS A 89 14.326 -2.447 -7.203 1.00 12.32 H new ATOM 0 HZ1 LYS A 89 15.784 -0.588 -6.834 1.00 2.12 H new ATOM 0 HZ2 LYS A 89 14.389 -0.051 -7.638 1.00 2.12 H new ATOM 0 HZ3 LYS A 89 14.581 0.251 -5.979 1.00 2.12 H new ATOM 1477 N VAL A 90 7.455 -1.393 -4.780 1.00 23.44 N ATOM 1478 CA VAL A 90 6.044 -1.276 -4.301 1.00 14.51 C ATOM 1479 C VAL A 90 5.575 -2.614 -3.666 1.00 31.34 C ATOM 1480 O VAL A 90 4.938 -2.644 -2.602 1.00 13.35 O ATOM 1481 CB VAL A 90 5.065 -0.914 -5.487 1.00 65.43 C ATOM 1482 CG1 VAL A 90 3.629 -0.611 -4.979 1.00 75.52 C ATOM 1483 CG2 VAL A 90 5.629 0.246 -6.336 1.00 72.33 C ATOM 0 H VAL A 90 7.551 -1.289 -5.790 1.00 23.44 H new ATOM 0 HA VAL A 90 6.019 -0.479 -3.558 1.00 14.51 H new ATOM 0 HB VAL A 90 4.991 -1.790 -6.132 1.00 65.43 H new ATOM 0 HG11 VAL A 90 2.988 -0.367 -5.826 1.00 75.52 H new ATOM 0 HG12 VAL A 90 3.233 -1.486 -4.464 1.00 75.52 H new ATOM 0 HG13 VAL A 90 3.657 0.233 -4.290 1.00 75.52 H new ATOM 0 HG21 VAL A 90 4.936 0.475 -7.145 1.00 72.33 H new ATOM 0 HG22 VAL A 90 5.758 1.128 -5.708 1.00 72.33 H new ATOM 0 HG23 VAL A 90 6.592 -0.045 -6.755 1.00 72.33 H new ATOM 1493 N LYS A 91 5.935 -3.708 -4.364 1.00 2.24 N ATOM 1494 CA LYS A 91 5.594 -5.101 -4.008 1.00 14.33 C ATOM 1495 C LYS A 91 6.180 -5.474 -2.617 1.00 4.52 C ATOM 1496 O LYS A 91 5.460 -5.950 -1.727 1.00 51.54 O ATOM 1497 CB LYS A 91 6.158 -6.061 -5.128 1.00 14.33 C ATOM 1498 CG LYS A 91 5.256 -7.240 -5.585 1.00 25.14 C ATOM 1499 CD LYS A 91 5.096 -8.396 -4.555 1.00 31.44 C ATOM 1500 CE LYS A 91 3.935 -8.192 -3.565 1.00 33.43 C ATOM 1501 NZ LYS A 91 3.829 -9.322 -2.620 1.00 71.23 N ATOM 0 H LYS A 91 6.489 -3.646 -5.218 1.00 2.24 H new ATOM 0 HA LYS A 91 4.511 -5.208 -3.946 1.00 14.33 H new ATOM 0 HB2 LYS A 91 6.389 -5.456 -6.004 1.00 14.33 H new ATOM 0 HB3 LYS A 91 7.100 -6.477 -4.771 1.00 14.33 H new ATOM 0 HG2 LYS A 91 4.267 -6.848 -5.822 1.00 25.14 H new ATOM 0 HG3 LYS A 91 5.665 -7.652 -6.507 1.00 25.14 H new ATOM 0 HD2 LYS A 91 4.941 -9.331 -5.094 1.00 31.44 H new ATOM 0 HD3 LYS A 91 6.025 -8.501 -3.994 1.00 31.44 H new ATOM 0 HE2 LYS A 91 4.085 -7.265 -3.011 1.00 33.43 H new ATOM 0 HE3 LYS A 91 3.000 -8.086 -4.115 1.00 33.43 H new ATOM 0 HZ1 LYS A 91 2.843 -9.650 -2.581 1.00 71.23 H new ATOM 0 HZ2 LYS A 91 4.441 -10.100 -2.939 1.00 71.23 H new ATOM 0 HZ3 LYS A 91 4.129 -9.012 -1.673 1.00 71.23 H new ATOM 1515 N LYS A 92 7.483 -5.203 -2.450 1.00 65.21 N ATOM 1516 CA LYS A 92 8.253 -5.606 -1.264 1.00 34.33 C ATOM 1517 C LYS A 92 7.887 -4.766 -0.013 1.00 1.31 C ATOM 1518 O LYS A 92 7.868 -5.288 1.104 1.00 12.43 O ATOM 1519 CB LYS A 92 9.767 -5.510 -1.568 1.00 73.22 C ATOM 1520 CG LYS A 92 10.667 -6.101 -0.466 1.00 4.40 C ATOM 1521 CD LYS A 92 10.438 -7.619 -0.275 1.00 24.31 C ATOM 1522 CE LYS A 92 11.360 -8.244 0.786 1.00 43.43 C ATOM 1523 NZ LYS A 92 11.093 -9.699 0.955 1.00 60.31 N ATOM 0 H LYS A 92 8.036 -4.694 -3.140 1.00 65.21 H new ATOM 0 HA LYS A 92 7.995 -6.640 -1.033 1.00 34.33 H new ATOM 0 HB2 LYS A 92 9.972 -6.026 -2.506 1.00 73.22 H new ATOM 0 HB3 LYS A 92 10.032 -4.463 -1.716 1.00 73.22 H new ATOM 0 HG2 LYS A 92 11.712 -5.922 -0.718 1.00 4.40 H new ATOM 0 HG3 LYS A 92 10.473 -5.585 0.474 1.00 4.40 H new ATOM 0 HD2 LYS A 92 9.400 -7.790 0.010 1.00 24.31 H new ATOM 0 HD3 LYS A 92 10.595 -8.126 -1.227 1.00 24.31 H new ATOM 0 HE2 LYS A 92 12.401 -8.095 0.498 1.00 43.43 H new ATOM 0 HE3 LYS A 92 11.217 -7.734 1.739 1.00 43.43 H new ATOM 0 HZ1 LYS A 92 11.732 -10.088 1.678 1.00 60.31 H new ATOM 0 HZ2 LYS A 92 10.107 -9.839 1.254 1.00 60.31 H new ATOM 0 HZ3 LYS A 92 11.253 -10.189 0.052 1.00 60.31 H new ATOM 1537 N LYS A 93 7.619 -3.464 -0.216 1.00 52.44 N ATOM 1538 CA LYS A 93 7.089 -2.567 0.848 1.00 13.53 C ATOM 1539 C LYS A 93 5.748 -3.087 1.422 1.00 15.43 C ATOM 1540 O LYS A 93 5.505 -2.997 2.627 1.00 40.33 O ATOM 1541 CB LYS A 93 6.902 -1.124 0.300 1.00 24.44 C ATOM 1542 CG LYS A 93 8.215 -0.329 0.101 1.00 31.31 C ATOM 1543 CD LYS A 93 8.902 0.038 1.439 1.00 5.03 C ATOM 1544 CE LYS A 93 10.230 0.787 1.235 1.00 10.04 C ATOM 1545 NZ LYS A 93 11.235 -0.053 0.528 1.00 25.51 N ATOM 0 H LYS A 93 7.760 -2.998 -1.113 1.00 52.44 H new ATOM 0 HA LYS A 93 7.820 -2.555 1.656 1.00 13.53 H new ATOM 0 HB2 LYS A 93 6.379 -1.178 -0.655 1.00 24.44 H new ATOM 0 HB3 LYS A 93 6.259 -0.571 0.985 1.00 24.44 H new ATOM 0 HG2 LYS A 93 8.903 -0.918 -0.506 1.00 31.31 H new ATOM 0 HG3 LYS A 93 8.001 0.584 -0.455 1.00 31.31 H new ATOM 0 HD2 LYS A 93 8.228 0.656 2.032 1.00 5.03 H new ATOM 0 HD3 LYS A 93 9.086 -0.872 2.010 1.00 5.03 H new ATOM 0 HE2 LYS A 93 10.050 1.697 0.663 1.00 10.04 H new ATOM 0 HE3 LYS A 93 10.628 1.092 2.203 1.00 10.04 H new ATOM 0 HZ1 LYS A 93 12.163 0.416 0.558 1.00 25.51 H new ATOM 0 HZ2 LYS A 93 11.301 -0.981 0.993 1.00 25.51 H new ATOM 0 HZ3 LYS A 93 10.945 -0.182 -0.462 1.00 25.51 H new ATOM 1559 N LEU A 94 4.897 -3.629 0.540 1.00 24.43 N ATOM 1560 CA LEU A 94 3.591 -4.217 0.915 1.00 11.55 C ATOM 1561 C LEU A 94 3.767 -5.546 1.705 1.00 70.24 C ATOM 1562 O LEU A 94 3.039 -5.815 2.681 1.00 51.32 O ATOM 1563 CB LEU A 94 2.756 -4.453 -0.360 1.00 53.53 C ATOM 1564 CG LEU A 94 1.295 -4.947 -0.141 1.00 73.45 C ATOM 1565 CD1 LEU A 94 0.410 -3.825 0.452 1.00 55.11 C ATOM 1566 CD2 LEU A 94 0.707 -5.518 -1.445 1.00 31.44 C ATOM 0 H LEU A 94 5.091 -3.675 -0.460 1.00 24.43 H new ATOM 0 HA LEU A 94 3.071 -3.518 1.571 1.00 11.55 H new ATOM 0 HB2 LEU A 94 2.722 -3.522 -0.925 1.00 53.53 H new ATOM 0 HB3 LEU A 94 3.276 -5.183 -0.980 1.00 53.53 H new ATOM 0 HG LEU A 94 1.314 -5.757 0.588 1.00 73.45 H new ATOM 0 HD11 LEU A 94 -0.604 -4.198 0.594 1.00 55.11 H new ATOM 0 HD12 LEU A 94 0.818 -3.509 1.412 1.00 55.11 H new ATOM 0 HD13 LEU A 94 0.392 -2.976 -0.232 1.00 55.11 H new ATOM 0 HD21 LEU A 94 -0.314 -5.856 -1.266 1.00 31.44 H new ATOM 0 HD22 LEU A 94 0.704 -4.744 -2.212 1.00 31.44 H new ATOM 0 HD23 LEU A 94 1.314 -6.359 -1.781 1.00 31.44 H new ATOM 1578 N ASP A 95 4.736 -6.376 1.258 1.00 73.30 N ATOM 1579 CA ASP A 95 5.175 -7.594 1.988 1.00 63.03 C ATOM 1580 C ASP A 95 5.675 -7.238 3.403 1.00 72.42 C ATOM 1581 O ASP A 95 5.362 -7.920 4.375 1.00 25.41 O ATOM 1582 CB ASP A 95 6.315 -8.308 1.208 1.00 23.24 C ATOM 1583 CG ASP A 95 5.828 -9.010 -0.068 1.00 34.14 C ATOM 1584 OD1 ASP A 95 4.831 -9.766 0.001 1.00 61.30 O ATOM 1585 OD2 ASP A 95 6.431 -8.815 -1.147 1.00 21.53 O ATOM 0 H ASP A 95 5.237 -6.224 0.383 1.00 73.30 H new ATOM 0 HA ASP A 95 4.316 -8.260 2.073 1.00 63.03 H new ATOM 0 HB2 ASP A 95 7.079 -7.577 0.944 1.00 23.24 H new ATOM 0 HB3 ASP A 95 6.789 -9.042 1.860 1.00 23.24 H new ATOM 1590 N MET A 96 6.446 -6.146 3.472 1.00 13.41 N ATOM 1591 CA MET A 96 7.013 -5.586 4.714 1.00 60.31 C ATOM 1592 C MET A 96 5.913 -5.185 5.736 1.00 24.21 C ATOM 1593 O MET A 96 6.088 -5.386 6.941 1.00 42.40 O ATOM 1594 CB MET A 96 7.924 -4.376 4.339 1.00 44.51 C ATOM 1595 CG MET A 96 8.239 -3.381 5.468 1.00 71.44 C ATOM 1596 SD MET A 96 9.183 -1.958 4.880 1.00 30.51 S ATOM 1597 CE MET A 96 9.137 -0.888 6.317 1.00 62.24 C ATOM 0 H MET A 96 6.703 -5.609 2.644 1.00 13.41 H new ATOM 0 HA MET A 96 7.608 -6.352 5.211 1.00 60.31 H new ATOM 0 HB2 MET A 96 8.867 -4.765 3.954 1.00 44.51 H new ATOM 0 HB3 MET A 96 7.448 -3.829 3.525 1.00 44.51 H new ATOM 0 HG2 MET A 96 7.307 -3.036 5.917 1.00 71.44 H new ATOM 0 HG3 MET A 96 8.801 -3.889 6.251 1.00 71.44 H new ATOM 0 HE1 MET A 96 9.681 0.032 6.103 1.00 62.24 H new ATOM 0 HE2 MET A 96 8.102 -0.650 6.560 1.00 62.24 H new ATOM 0 HE3 MET A 96 9.601 -1.395 7.163 1.00 62.24 H new ATOM 1607 N VAL A 97 4.781 -4.627 5.242 1.00 73.25 N ATOM 1608 CA VAL A 97 3.615 -4.278 6.104 1.00 4.10 C ATOM 1609 C VAL A 97 3.043 -5.554 6.792 1.00 25.11 C ATOM 1610 O VAL A 97 2.722 -5.549 7.989 1.00 71.41 O ATOM 1611 CB VAL A 97 2.460 -3.556 5.297 1.00 25.51 C ATOM 1612 CG1 VAL A 97 1.321 -3.082 6.239 1.00 64.14 C ATOM 1613 CG2 VAL A 97 3.001 -2.376 4.453 1.00 51.34 C ATOM 0 H VAL A 97 4.647 -4.408 4.255 1.00 73.25 H new ATOM 0 HA VAL A 97 3.982 -3.582 6.858 1.00 4.10 H new ATOM 0 HB VAL A 97 2.044 -4.292 4.609 1.00 25.51 H new ATOM 0 HG11 VAL A 97 0.545 -2.591 5.653 1.00 64.14 H new ATOM 0 HG12 VAL A 97 0.895 -3.942 6.757 1.00 64.14 H new ATOM 0 HG13 VAL A 97 1.722 -2.380 6.970 1.00 64.14 H new ATOM 0 HG21 VAL A 97 2.178 -1.907 3.914 1.00 51.34 H new ATOM 0 HG22 VAL A 97 3.469 -1.643 5.110 1.00 51.34 H new ATOM 0 HG23 VAL A 97 3.737 -2.746 3.740 1.00 51.34 H new ATOM 1623 N THR A 98 2.966 -6.651 6.010 1.00 33.53 N ATOM 1624 CA THR A 98 2.504 -7.972 6.501 1.00 14.52 C ATOM 1625 C THR A 98 3.500 -8.563 7.534 1.00 12.34 C ATOM 1626 O THR A 98 3.102 -8.952 8.631 1.00 0.40 O ATOM 1627 CB THR A 98 2.316 -8.990 5.319 1.00 53.13 C ATOM 1628 OG1 THR A 98 1.450 -8.428 4.316 1.00 4.23 O ATOM 1629 CG2 THR A 98 1.732 -10.339 5.798 1.00 40.35 C ATOM 0 H THR A 98 3.221 -6.649 5.022 1.00 33.53 H new ATOM 0 HA THR A 98 1.540 -7.812 6.984 1.00 14.52 H new ATOM 0 HB THR A 98 3.304 -9.180 4.899 1.00 53.13 H new ATOM 0 HG1 THR A 98 1.340 -9.069 3.583 1.00 4.23 H new ATOM 0 HG21 THR A 98 1.620 -11.010 4.946 1.00 40.35 H new ATOM 0 HG22 THR A 98 2.405 -10.788 6.528 1.00 40.35 H new ATOM 0 HG23 THR A 98 0.758 -10.171 6.258 1.00 40.35 H new ATOM 1637 N ARG A 99 4.805 -8.581 7.175 1.00 71.22 N ATOM 1638 CA ARG A 99 5.893 -9.150 8.016 1.00 44.11 C ATOM 1639 C ARG A 99 6.086 -8.370 9.339 1.00 63.11 C ATOM 1640 O ARG A 99 6.541 -8.933 10.348 1.00 12.13 O ATOM 1641 CB ARG A 99 7.219 -9.203 7.219 1.00 23.25 C ATOM 1642 CG ARG A 99 7.206 -10.100 5.945 1.00 13.23 C ATOM 1643 CD ARG A 99 7.214 -11.632 6.219 1.00 64.02 C ATOM 1644 NE ARG A 99 5.917 -12.174 6.687 1.00 21.20 N ATOM 1645 CZ ARG A 99 5.499 -13.415 6.524 1.00 42.35 C ATOM 1646 NH1 ARG A 99 6.198 -14.292 5.873 1.00 71.21 N ATOM 1647 NH2 ARG A 99 4.370 -13.782 7.029 1.00 4.21 N ATOM 0 H ARG A 99 5.138 -8.200 6.289 1.00 71.22 H new ATOM 0 HA ARG A 99 5.595 -10.164 8.284 1.00 44.11 H new ATOM 0 HB2 ARG A 99 7.485 -8.188 6.924 1.00 23.25 H new ATOM 0 HB3 ARG A 99 8.007 -9.558 7.883 1.00 23.25 H new ATOM 0 HG2 ARG A 99 6.322 -9.856 5.356 1.00 13.23 H new ATOM 0 HG3 ARG A 99 8.074 -9.851 5.335 1.00 13.23 H new ATOM 0 HD2 ARG A 99 7.503 -12.151 5.305 1.00 64.02 H new ATOM 0 HD3 ARG A 99 7.977 -11.852 6.966 1.00 64.02 H new ATOM 0 HE ARG A 99 5.294 -11.533 7.177 1.00 21.20 H new ATOM 0 HH11 ARG A 99 7.098 -14.030 5.470 1.00 71.21 H new ATOM 0 HH12 ARG A 99 5.848 -15.244 5.764 1.00 71.21 H new ATOM 0 HH21 ARG A 99 3.804 -13.114 7.552 1.00 4.21 H new ATOM 0 HH22 ARG A 99 4.043 -14.740 6.905 1.00 4.21 H new ATOM 1661 N GLU A 100 5.745 -7.071 9.314 1.00 15.05 N ATOM 1662 CA GLU A 100 5.754 -6.213 10.515 1.00 62.12 C ATOM 1663 C GLU A 100 4.629 -6.641 11.494 1.00 64.42 C ATOM 1664 O GLU A 100 4.813 -6.635 12.716 1.00 63.23 O ATOM 1665 CB GLU A 100 5.597 -4.718 10.117 1.00 33.11 C ATOM 1666 CG GLU A 100 5.848 -3.704 11.260 1.00 13.43 C ATOM 1667 CD GLU A 100 7.322 -3.670 11.729 1.00 53.31 C ATOM 1668 OE1 GLU A 100 7.716 -4.495 12.590 1.00 31.34 O ATOM 1669 OE2 GLU A 100 8.101 -2.831 11.223 1.00 14.15 O ATOM 0 H GLU A 100 5.456 -6.585 8.465 1.00 15.05 H new ATOM 0 HA GLU A 100 6.712 -6.333 11.020 1.00 62.12 H new ATOM 0 HB2 GLU A 100 6.287 -4.501 9.302 1.00 33.11 H new ATOM 0 HB3 GLU A 100 4.589 -4.565 9.731 1.00 33.11 H new ATOM 0 HG2 GLU A 100 5.557 -2.709 10.925 1.00 13.43 H new ATOM 0 HG3 GLU A 100 5.209 -3.955 12.107 1.00 13.43 H new