USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=24 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 47 HIS : no HD1:sc= 0 X(o=-0.81,f=-0.93) USER MOD Set 1.3: A 69 MET CE :methyl -173:sc= -0.814 (180deg=-0.926) USER MOD Set 2.1: A 12 THR OG1 : rot 80:sc= 1.13 USER MOD Set 2.2: A 56 MET CE :methyl 144:sc= 0 (180deg=-0.86) 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 16 LYS NZ :NH3+ 163:sc= -0.15 (180deg=-0.514) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 21 ASN : amide:sc= 0.651 K(o=0.65,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.072 (180deg=-0.39) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 36 MET CE :methyl 155:sc= -1.44 (180deg=-3.44!) USER MOD Single : A 38 TYR OH : rot -107:sc= 0.307 USER MOD Single : A 40 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.59) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 64:sc= 0.192 USER MOD Single : A 49 MET CE :methyl 171:sc= -0.792 (180deg=-1.05) USER MOD Single : A 50 LYS NZ :NH3+ -124:sc= 0.393 (180deg=-0.99!) USER MOD Single : A 53 THR OG1 : rot -84:sc= -3.04! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 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= -1.55! K(o=-1.5!,f=0) USER MOD Single : A 67 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= -0.0522 (180deg=-0.126) USER MOD Single : A 75 MET CE :methyl -116:sc= -1.31 (180deg=-1.64) USER MOD Single : A 77 ASN : amide:sc= -4.03! K(o=-4!,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+ -177:sc= 0 (180deg=-0.00788) USER MOD Single : A 91 LYS NZ :NH3+ -112:sc= 0.908 (180deg=-0.0339) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 74:sc= -0.692 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -10.633 -0.332 16.142 1.00 65.45 N ATOM 110 CA ILE A 8 -9.192 -0.457 15.806 1.00 11.10 C ATOM 111 C ILE A 8 -8.868 -1.885 15.296 1.00 12.42 C ATOM 112 O ILE A 8 -8.150 -2.053 14.309 1.00 52.24 O ATOM 113 CB ILE A 8 -8.276 -0.101 17.045 1.00 53.43 C ATOM 114 CG1 ILE A 8 -8.556 1.353 17.555 1.00 61.14 C ATOM 115 CG2 ILE A 8 -6.763 -0.294 16.734 1.00 52.02 C ATOM 116 CD1 ILE A 8 -8.307 2.463 16.538 1.00 25.03 C ATOM 0 HA ILE A 8 -8.979 0.257 15.011 1.00 11.10 H new ATOM 0 HB ILE A 8 -8.535 -0.801 17.840 1.00 53.43 H new ATOM 0 HG12 ILE A 8 -9.594 1.411 17.884 1.00 61.14 H new ATOM 0 HG13 ILE A 8 -7.933 1.539 18.430 1.00 61.14 H new ATOM 0 HG21 ILE A 8 -6.175 -0.037 17.615 1.00 52.02 H new ATOM 0 HG22 ILE A 8 -6.577 -1.333 16.464 1.00 52.02 H new ATOM 0 HG23 ILE A 8 -6.476 0.353 15.905 1.00 52.02 H new ATOM 0 HD11 ILE A 8 -8.531 3.429 16.991 1.00 25.03 H new ATOM 0 HD12 ILE A 8 -7.263 2.442 16.225 1.00 25.03 H new ATOM 0 HD13 ILE A 8 -8.949 2.312 15.670 1.00 25.03 H new ATOM 128 N LYS A 9 -9.452 -2.891 15.960 1.00 22.14 N ATOM 129 CA LYS A 9 -9.294 -4.315 15.600 1.00 11.35 C ATOM 130 C LYS A 9 -9.821 -4.606 14.164 1.00 43.33 C ATOM 131 O LYS A 9 -9.149 -5.258 13.359 1.00 22.34 O ATOM 132 CB LYS A 9 -10.051 -5.179 16.641 1.00 0.01 C ATOM 133 CG LYS A 9 -9.810 -6.700 16.533 1.00 20.03 C ATOM 134 CD LYS A 9 -10.664 -7.516 17.535 1.00 32.32 C ATOM 135 CE LYS A 9 -10.415 -7.113 18.998 1.00 42.00 C ATOM 136 NZ LYS A 9 -11.261 -7.870 19.952 1.00 51.25 N ATOM 0 H LYS A 9 -10.054 -2.743 16.770 1.00 22.14 H new ATOM 0 HA LYS A 9 -8.233 -4.565 15.608 1.00 11.35 H new ATOM 0 HB2 LYS A 9 -9.762 -4.852 17.640 1.00 0.01 H new ATOM 0 HB3 LYS A 9 -11.119 -4.989 16.539 1.00 0.01 H new ATOM 0 HG2 LYS A 9 -10.036 -7.028 15.518 1.00 20.03 H new ATOM 0 HG3 LYS A 9 -8.755 -6.909 16.708 1.00 20.03 H new ATOM 0 HD2 LYS A 9 -11.720 -7.380 17.300 1.00 32.32 H new ATOM 0 HD3 LYS A 9 -10.444 -8.577 17.413 1.00 32.32 H new ATOM 0 HE2 LYS A 9 -9.365 -7.276 19.242 1.00 42.00 H new ATOM 0 HE3 LYS A 9 -10.608 -6.047 19.115 1.00 42.00 H new ATOM 0 HZ1 LYS A 9 -11.053 -7.559 20.922 1.00 51.25 H new ATOM 0 HZ2 LYS A 9 -12.264 -7.696 19.740 1.00 51.25 H new ATOM 0 HZ3 LYS A 9 -11.060 -8.887 19.863 1.00 51.25 H new ATOM 150 N LYS A 10 -11.021 -4.086 13.861 1.00 23.23 N ATOM 151 CA LYS A 10 -11.692 -4.298 12.558 1.00 74.42 C ATOM 152 C LYS A 10 -11.016 -3.512 11.406 1.00 71.01 C ATOM 153 O LYS A 10 -10.821 -4.068 10.335 1.00 73.25 O ATOM 154 CB LYS A 10 -13.201 -3.943 12.667 1.00 53.10 C ATOM 155 CG LYS A 10 -14.022 -4.925 13.541 1.00 61.14 C ATOM 156 CD LYS A 10 -15.504 -4.502 13.693 1.00 33.22 C ATOM 157 CE LYS A 10 -16.349 -5.530 14.475 1.00 11.34 C ATOM 158 NZ LYS A 10 -15.921 -5.667 15.896 1.00 74.13 N ATOM 0 H LYS A 10 -11.557 -3.507 14.508 1.00 23.23 H new ATOM 0 HA LYS A 10 -11.594 -5.355 12.309 1.00 74.42 H new ATOM 0 HB2 LYS A 10 -13.298 -2.939 13.080 1.00 53.10 H new ATOM 0 HB3 LYS A 10 -13.631 -3.919 11.666 1.00 53.10 H new ATOM 0 HG2 LYS A 10 -13.977 -5.921 13.100 1.00 61.14 H new ATOM 0 HG3 LYS A 10 -13.566 -4.993 14.529 1.00 61.14 H new ATOM 0 HD2 LYS A 10 -15.551 -3.539 14.202 1.00 33.22 H new ATOM 0 HD3 LYS A 10 -15.939 -4.360 12.704 1.00 33.22 H new ATOM 0 HE2 LYS A 10 -17.397 -5.232 14.443 1.00 11.34 H new ATOM 0 HE3 LYS A 10 -16.279 -6.500 13.984 1.00 11.34 H new ATOM 0 HZ1 LYS A 10 -16.522 -6.369 16.373 1.00 74.13 H new ATOM 0 HZ2 LYS A 10 -14.929 -5.978 15.931 1.00 74.13 H new ATOM 0 HZ3 LYS A 10 -16.013 -4.749 16.376 1.00 74.13 H new ATOM 172 N VAL A 11 -10.648 -2.230 11.634 1.00 64.11 N ATOM 173 CA VAL A 11 -9.979 -1.383 10.601 1.00 71.35 C ATOM 174 C VAL A 11 -8.561 -1.930 10.233 1.00 21.13 C ATOM 175 O VAL A 11 -8.075 -1.725 9.116 1.00 53.34 O ATOM 176 CB VAL A 11 -9.912 0.142 11.030 1.00 30.42 C ATOM 177 CG1 VAL A 11 -8.903 0.390 12.175 1.00 43.52 C ATOM 178 CG2 VAL A 11 -9.627 1.068 9.816 1.00 62.51 C ATOM 0 H VAL A 11 -10.800 -1.753 12.523 1.00 64.11 H new ATOM 0 HA VAL A 11 -10.597 -1.439 9.705 1.00 71.35 H new ATOM 0 HB VAL A 11 -10.898 0.397 11.417 1.00 30.42 H new ATOM 0 HG11 VAL A 11 -8.896 1.450 12.431 1.00 43.52 H new ATOM 0 HG12 VAL A 11 -9.194 -0.192 13.049 1.00 43.52 H new ATOM 0 HG13 VAL A 11 -7.906 0.088 11.854 1.00 43.52 H new ATOM 0 HG21 VAL A 11 -9.589 2.105 10.150 1.00 62.51 H new ATOM 0 HG22 VAL A 11 -8.672 0.796 9.367 1.00 62.51 H new ATOM 0 HG23 VAL A 11 -10.420 0.954 9.077 1.00 62.51 H new ATOM 188 N THR A 12 -7.929 -2.640 11.189 1.00 13.43 N ATOM 189 CA THR A 12 -6.685 -3.418 10.950 1.00 33.41 C ATOM 190 C THR A 12 -6.934 -4.568 9.937 1.00 43.13 C ATOM 191 O THR A 12 -6.092 -4.860 9.079 1.00 20.11 O ATOM 192 CB THR A 12 -6.141 -4.005 12.298 1.00 64.24 C ATOM 193 OG1 THR A 12 -5.762 -2.940 13.178 1.00 3.45 O ATOM 194 CG2 THR A 12 -4.939 -4.940 12.113 1.00 52.12 C ATOM 0 H THR A 12 -8.263 -2.694 12.151 1.00 13.43 H new ATOM 0 HA THR A 12 -5.941 -2.741 10.529 1.00 33.41 H new ATOM 0 HB THR A 12 -6.954 -4.594 12.723 1.00 64.24 H new ATOM 0 HG1 THR A 12 -6.561 -2.576 13.613 1.00 3.45 H new ATOM 0 HG21 THR A 12 -4.613 -5.310 13.085 1.00 52.12 H new ATOM 0 HG22 THR A 12 -5.226 -5.781 11.482 1.00 52.12 H new ATOM 0 HG23 THR A 12 -4.123 -4.394 11.641 1.00 52.12 H new ATOM 202 N ASP A 13 -8.091 -5.235 10.061 1.00 4.01 N ATOM 203 CA ASP A 13 -8.517 -6.283 9.112 1.00 45.32 C ATOM 204 C ASP A 13 -9.044 -5.709 7.769 1.00 61.12 C ATOM 205 O ASP A 13 -8.959 -6.377 6.734 1.00 55.51 O ATOM 206 CB ASP A 13 -9.490 -7.263 9.786 1.00 62.32 C ATOM 207 CG ASP A 13 -8.754 -8.135 10.822 1.00 64.43 C ATOM 208 OD1 ASP A 13 -7.980 -9.028 10.403 1.00 72.42 O ATOM 209 OD2 ASP A 13 -8.893 -7.903 12.041 1.00 51.54 O ATOM 0 H ASP A 13 -8.756 -5.067 10.816 1.00 4.01 H new ATOM 0 HA ASP A 13 -7.632 -6.854 8.832 1.00 45.32 H new ATOM 0 HB2 ASP A 13 -10.292 -6.709 10.274 1.00 62.32 H new ATOM 0 HB3 ASP A 13 -9.954 -7.899 9.032 1.00 62.32 H new ATOM 214 N GLU A 14 -9.589 -4.478 7.788 1.00 11.04 N ATOM 215 CA GLU A 14 -9.900 -3.720 6.544 1.00 24.10 C ATOM 216 C GLU A 14 -8.586 -3.353 5.796 1.00 31.12 C ATOM 217 O GLU A 14 -8.557 -3.254 4.564 1.00 65.20 O ATOM 218 CB GLU A 14 -10.712 -2.436 6.874 1.00 12.34 C ATOM 219 CG GLU A 14 -12.042 -2.670 7.627 1.00 44.12 C ATOM 220 CD GLU A 14 -13.087 -3.485 6.837 1.00 5.55 C ATOM 221 OE1 GLU A 14 -13.794 -2.906 5.987 1.00 61.00 O ATOM 222 OE2 GLU A 14 -13.209 -4.709 7.064 1.00 0.43 O ATOM 0 H GLU A 14 -9.826 -3.981 8.647 1.00 11.04 H new ATOM 0 HA GLU A 14 -10.507 -4.352 5.896 1.00 24.10 H new ATOM 0 HB2 GLU A 14 -10.086 -1.774 7.473 1.00 12.34 H new ATOM 0 HB3 GLU A 14 -10.928 -1.913 5.942 1.00 12.34 H new ATOM 0 HG2 GLU A 14 -11.829 -3.186 8.563 1.00 44.12 H new ATOM 0 HG3 GLU A 14 -12.474 -1.703 7.886 1.00 44.12 H new ATOM 229 N LEU A 15 -7.507 -3.161 6.579 1.00 12.41 N ATOM 230 CA LEU A 15 -6.137 -2.956 6.068 1.00 75.21 C ATOM 231 C LEU A 15 -5.576 -4.260 5.424 1.00 23.00 C ATOM 232 O LEU A 15 -4.739 -4.192 4.530 1.00 61.55 O ATOM 233 CB LEU A 15 -5.231 -2.400 7.215 1.00 44.02 C ATOM 234 CG LEU A 15 -3.693 -2.197 6.914 1.00 22.14 C ATOM 235 CD1 LEU A 15 -3.131 -0.956 7.649 1.00 35.32 C ATOM 236 CD2 LEU A 15 -2.868 -3.458 7.291 1.00 41.04 C ATOM 0 H LEU A 15 -7.563 -3.144 7.597 1.00 12.41 H new ATOM 0 HA LEU A 15 -6.151 -2.214 5.270 1.00 75.21 H new ATOM 0 HB2 LEU A 15 -5.640 -1.439 7.527 1.00 44.02 H new ATOM 0 HB3 LEU A 15 -5.318 -3.075 8.066 1.00 44.02 H new ATOM 0 HG LEU A 15 -3.600 -2.033 5.840 1.00 22.14 H new ATOM 0 HD11 LEU A 15 -2.071 -0.846 7.420 1.00 35.32 H new ATOM 0 HD12 LEU A 15 -3.667 -0.065 7.321 1.00 35.32 H new ATOM 0 HD13 LEU A 15 -3.258 -1.081 8.724 1.00 35.32 H new ATOM 0 HD21 LEU A 15 -1.815 -3.283 7.071 1.00 41.04 H new ATOM 0 HD22 LEU A 15 -2.987 -3.666 8.354 1.00 41.04 H new ATOM 0 HD23 LEU A 15 -3.223 -4.311 6.713 1.00 41.04 H new ATOM 248 N LYS A 16 -6.032 -5.443 5.890 1.00 51.04 N ATOM 249 CA LYS A 16 -5.658 -6.746 5.261 1.00 75.45 C ATOM 250 C LYS A 16 -6.246 -6.869 3.835 1.00 74.54 C ATOM 251 O LYS A 16 -5.571 -7.339 2.914 1.00 33.24 O ATOM 252 CB LYS A 16 -6.154 -7.941 6.101 1.00 54.42 C ATOM 253 CG LYS A 16 -5.741 -7.902 7.570 1.00 61.54 C ATOM 254 CD LYS A 16 -4.224 -8.006 7.809 1.00 3.14 C ATOM 255 CE LYS A 16 -3.910 -7.983 9.309 1.00 14.35 C ATOM 256 NZ LYS A 16 -4.703 -8.995 10.057 1.00 72.31 N ATOM 0 H LYS A 16 -6.655 -5.531 6.693 1.00 51.04 H new ATOM 0 HA LYS A 16 -4.569 -6.766 5.211 1.00 75.45 H new ATOM 0 HB2 LYS A 16 -7.242 -7.981 6.044 1.00 54.42 H new ATOM 0 HB3 LYS A 16 -5.777 -8.862 5.656 1.00 54.42 H new ATOM 0 HG2 LYS A 16 -6.103 -6.973 8.012 1.00 61.54 H new ATOM 0 HG3 LYS A 16 -6.236 -8.719 8.095 1.00 61.54 H new ATOM 0 HD2 LYS A 16 -3.843 -8.927 7.367 1.00 3.14 H new ATOM 0 HD3 LYS A 16 -3.715 -7.180 7.313 1.00 3.14 H new ATOM 0 HE2 LYS A 16 -2.847 -8.170 9.460 1.00 14.35 H new ATOM 0 HE3 LYS A 16 -4.119 -6.991 9.708 1.00 14.35 H new ATOM 0 HZ1 LYS A 16 -4.272 -9.153 10.990 1.00 72.31 H new ATOM 0 HZ2 LYS A 16 -5.677 -8.652 10.179 1.00 72.31 H new ATOM 0 HZ3 LYS A 16 -4.715 -9.889 9.526 1.00 72.31 H new ATOM 270 N GLU A 17 -7.527 -6.465 3.689 1.00 50.00 N ATOM 271 CA GLU A 17 -8.212 -6.341 2.369 1.00 51.24 C ATOM 272 C GLU A 17 -7.424 -5.406 1.433 1.00 32.10 C ATOM 273 O GLU A 17 -7.242 -5.693 0.255 1.00 71.03 O ATOM 274 CB GLU A 17 -9.676 -5.840 2.590 1.00 52.21 C ATOM 275 CG GLU A 17 -10.497 -5.484 1.310 1.00 75.41 C ATOM 276 CD GLU A 17 -10.477 -3.975 0.953 1.00 52.53 C ATOM 277 OE1 GLU A 17 -11.224 -3.201 1.594 1.00 43.30 O ATOM 278 OE2 GLU A 17 -9.722 -3.557 0.041 1.00 64.45 O ATOM 0 H GLU A 17 -8.121 -6.214 4.479 1.00 50.00 H new ATOM 0 HA GLU A 17 -8.251 -7.317 1.886 1.00 51.24 H new ATOM 0 HB2 GLU A 17 -10.219 -6.609 3.140 1.00 52.21 H new ATOM 0 HB3 GLU A 17 -9.641 -4.957 3.228 1.00 52.21 H new ATOM 0 HG2 GLU A 17 -10.103 -6.052 0.467 1.00 75.41 H new ATOM 0 HG3 GLU A 17 -11.530 -5.800 1.453 1.00 75.41 H new ATOM 285 N LEU A 18 -6.954 -4.305 2.008 1.00 10.20 N ATOM 286 CA LEU A 18 -6.099 -3.303 1.336 1.00 34.43 C ATOM 287 C LEU A 18 -4.815 -3.947 0.746 1.00 72.31 C ATOM 288 O LEU A 18 -4.525 -3.794 -0.443 1.00 33.02 O ATOM 289 CB LEU A 18 -5.752 -2.195 2.388 1.00 72.11 C ATOM 290 CG LEU A 18 -6.105 -0.724 2.039 1.00 20.31 C ATOM 291 CD1 LEU A 18 -7.462 -0.625 1.334 1.00 11.11 C ATOM 292 CD2 LEU A 18 -6.073 0.140 3.321 1.00 45.32 C ATOM 0 H LEU A 18 -7.156 -4.068 2.979 1.00 10.20 H new ATOM 0 HA LEU A 18 -6.632 -2.867 0.491 1.00 34.43 H new ATOM 0 HB2 LEU A 18 -6.258 -2.448 3.319 1.00 72.11 H new ATOM 0 HB3 LEU A 18 -4.681 -2.244 2.584 1.00 72.11 H new ATOM 0 HG LEU A 18 -5.357 -0.344 1.343 1.00 20.31 H new ATOM 0 HD11 LEU A 18 -7.677 0.419 1.104 1.00 11.11 H new ATOM 0 HD12 LEU A 18 -7.435 -1.202 0.410 1.00 11.11 H new ATOM 0 HD13 LEU A 18 -8.241 -1.021 1.986 1.00 11.11 H new ATOM 0 HD21 LEU A 18 -6.321 1.171 3.071 1.00 45.32 H new ATOM 0 HD22 LEU A 18 -6.799 -0.245 4.037 1.00 45.32 H new ATOM 0 HD23 LEU A 18 -5.076 0.103 3.760 1.00 45.32 H new ATOM 304 N ILE A 19 -4.068 -4.667 1.607 1.00 71.31 N ATOM 305 CA ILE A 19 -2.846 -5.417 1.215 1.00 11.52 C ATOM 306 C ILE A 19 -3.149 -6.465 0.107 1.00 31.55 C ATOM 307 O ILE A 19 -2.391 -6.601 -0.854 1.00 75.45 O ATOM 308 CB ILE A 19 -2.221 -6.152 2.469 1.00 74.22 C ATOM 309 CG1 ILE A 19 -1.825 -5.136 3.591 1.00 74.20 C ATOM 310 CG2 ILE A 19 -1.008 -7.035 2.077 1.00 70.33 C ATOM 311 CD1 ILE A 19 -1.333 -5.777 4.886 1.00 60.12 C ATOM 0 H ILE A 19 -4.292 -4.748 2.599 1.00 71.31 H new ATOM 0 HA ILE A 19 -2.134 -4.691 0.822 1.00 11.52 H new ATOM 0 HB ILE A 19 -2.994 -6.810 2.866 1.00 74.22 H new ATOM 0 HG12 ILE A 19 -1.045 -4.478 3.208 1.00 74.20 H new ATOM 0 HG13 ILE A 19 -2.688 -4.510 3.816 1.00 74.20 H new ATOM 0 HG21 ILE A 19 -0.609 -7.521 2.967 1.00 70.33 H new ATOM 0 HG22 ILE A 19 -1.326 -7.793 1.361 1.00 70.33 H new ATOM 0 HG23 ILE A 19 -0.235 -6.412 1.627 1.00 70.33 H new ATOM 0 HD11 ILE A 19 -1.082 -4.997 5.605 1.00 60.12 H new ATOM 0 HD12 ILE A 19 -2.117 -6.412 5.298 1.00 60.12 H new ATOM 0 HD13 ILE A 19 -0.448 -6.380 4.680 1.00 60.12 H new ATOM 323 N GLN A 20 -4.272 -7.182 0.265 1.00 13.04 N ATOM 324 CA GLN A 20 -4.723 -8.232 -0.681 1.00 42.04 C ATOM 325 C GLN A 20 -4.983 -7.664 -2.097 1.00 40.10 C ATOM 326 O GLN A 20 -4.461 -8.189 -3.089 1.00 33.52 O ATOM 327 CB GLN A 20 -6.008 -8.913 -0.123 1.00 65.23 C ATOM 328 CG GLN A 20 -6.662 -9.964 -1.052 1.00 61.04 C ATOM 329 CD GLN A 20 -5.734 -11.119 -1.451 1.00 34.33 C ATOM 330 OE1 GLN A 20 -4.836 -11.511 -0.710 1.00 12.13 O ATOM 331 NE2 GLN A 20 -5.952 -11.681 -2.624 1.00 53.14 N ATOM 0 H GLN A 20 -4.902 -7.054 1.057 1.00 13.04 H new ATOM 0 HA GLN A 20 -3.926 -8.970 -0.775 1.00 42.04 H new ATOM 0 HB2 GLN A 20 -5.762 -9.394 0.824 1.00 65.23 H new ATOM 0 HB3 GLN A 20 -6.743 -8.138 0.095 1.00 65.23 H new ATOM 0 HG2 GLN A 20 -7.541 -10.375 -0.555 1.00 61.04 H new ATOM 0 HG3 GLN A 20 -7.011 -9.465 -1.956 1.00 61.04 H new ATOM 0 HE21 GLN A 20 -6.704 -11.338 -3.222 1.00 53.14 H new ATOM 0 HE22 GLN A 20 -5.369 -12.459 -2.933 1.00 53.14 H new ATOM 340 N ASN A 21 -5.779 -6.581 -2.165 1.00 51.04 N ATOM 341 CA ASN A 21 -6.126 -5.918 -3.437 1.00 62.13 C ATOM 342 C ASN A 21 -4.888 -5.307 -4.126 1.00 70.44 C ATOM 343 O ASN A 21 -4.712 -5.492 -5.317 1.00 65.21 O ATOM 344 CB ASN A 21 -7.231 -4.843 -3.243 1.00 40.35 C ATOM 345 CG ASN A 21 -8.634 -5.451 -3.129 1.00 40.34 C ATOM 346 OD1 ASN A 21 -9.289 -5.711 -4.131 1.00 33.21 O ATOM 347 ND2 ASN A 21 -9.127 -5.651 -1.930 1.00 0.40 N ATOM 0 H ASN A 21 -6.198 -6.142 -1.345 1.00 51.04 H new ATOM 0 HA ASN A 21 -6.522 -6.693 -4.093 1.00 62.13 H new ATOM 0 HB2 ASN A 21 -7.016 -4.265 -2.344 1.00 40.35 H new ATOM 0 HB3 ASN A 21 -7.208 -4.148 -4.082 1.00 40.35 H new ATOM 0 HD21 ASN A 21 -10.069 -6.028 -1.822 1.00 0.40 H new ATOM 0 HD22 ASN A 21 -8.569 -5.429 -1.106 1.00 0.40 H new ATOM 354 N VAL A 22 -4.026 -4.613 -3.364 1.00 10.30 N ATOM 355 CA VAL A 22 -2.795 -3.999 -3.921 1.00 54.20 C ATOM 356 C VAL A 22 -1.803 -5.070 -4.456 1.00 1.43 C ATOM 357 O VAL A 22 -1.335 -4.943 -5.572 1.00 43.51 O ATOM 358 CB VAL A 22 -2.091 -3.054 -2.881 1.00 42.22 C ATOM 359 CG1 VAL A 22 -0.700 -2.581 -3.366 1.00 20.41 C ATOM 360 CG2 VAL A 22 -2.974 -1.833 -2.561 1.00 72.30 C ATOM 0 H VAL A 22 -4.153 -4.460 -2.364 1.00 10.30 H new ATOM 0 HA VAL A 22 -3.108 -3.387 -4.767 1.00 54.20 H new ATOM 0 HB VAL A 22 -1.947 -3.641 -1.974 1.00 42.22 H new ATOM 0 HG11 VAL A 22 -0.254 -1.931 -2.613 1.00 20.41 H new ATOM 0 HG12 VAL A 22 -0.057 -3.446 -3.525 1.00 20.41 H new ATOM 0 HG13 VAL A 22 -0.808 -2.032 -4.302 1.00 20.41 H new ATOM 0 HG21 VAL A 22 -2.465 -1.195 -1.839 1.00 72.30 H new ATOM 0 HG22 VAL A 22 -3.161 -1.270 -3.475 1.00 72.30 H new ATOM 0 HG23 VAL A 22 -3.922 -2.170 -2.142 1.00 72.30 H new ATOM 370 N ASN A 23 -1.508 -6.122 -3.659 1.00 73.34 N ATOM 371 CA ASN A 23 -0.622 -7.255 -4.084 1.00 64.24 C ATOM 372 C ASN A 23 -1.129 -7.953 -5.371 1.00 2.12 C ATOM 373 O ASN A 23 -0.337 -8.294 -6.259 1.00 51.31 O ATOM 374 CB ASN A 23 -0.489 -8.312 -2.945 1.00 31.23 C ATOM 375 CG ASN A 23 0.504 -7.918 -1.850 1.00 74.24 C ATOM 376 OD1 ASN A 23 1.502 -7.256 -2.104 1.00 24.00 O ATOM 377 ND2 ASN A 23 0.244 -8.333 -0.629 1.00 71.44 N ATOM 0 H ASN A 23 -1.868 -6.219 -2.710 1.00 73.34 H new ATOM 0 HA ASN A 23 0.353 -6.818 -4.298 1.00 64.24 H new ATOM 0 HB2 ASN A 23 -1.468 -8.472 -2.494 1.00 31.23 H new ATOM 0 HB3 ASN A 23 -0.179 -9.263 -3.379 1.00 31.23 H new ATOM 0 HD21 ASN A 23 0.881 -8.104 0.134 1.00 71.44 H new ATOM 0 HD22 ASN A 23 -0.595 -8.883 -0.445 1.00 71.44 H new ATOM 384 N ASP A 24 -2.453 -8.155 -5.452 1.00 71.21 N ATOM 385 CA ASP A 24 -3.095 -8.818 -6.602 1.00 25.44 C ATOM 386 C ASP A 24 -3.054 -7.895 -7.854 1.00 54.14 C ATOM 387 O ASP A 24 -2.716 -8.336 -8.953 1.00 24.10 O ATOM 388 CB ASP A 24 -4.552 -9.200 -6.225 1.00 62.24 C ATOM 389 CG ASP A 24 -5.131 -10.304 -7.120 1.00 5.11 C ATOM 390 OD1 ASP A 24 -4.936 -11.495 -6.797 1.00 74.22 O ATOM 391 OD2 ASP A 24 -5.784 -9.997 -8.142 1.00 40.52 O ATOM 0 H ASP A 24 -3.108 -7.865 -4.726 1.00 71.21 H new ATOM 0 HA ASP A 24 -2.550 -9.729 -6.851 1.00 25.44 H new ATOM 0 HB2 ASP A 24 -4.578 -9.530 -5.187 1.00 62.24 H new ATOM 0 HB3 ASP A 24 -5.184 -8.315 -6.294 1.00 62.24 H new ATOM 396 N ASP A 25 -3.369 -6.605 -7.645 1.00 31.31 N ATOM 397 CA ASP A 25 -3.285 -5.545 -8.683 1.00 62.33 C ATOM 398 C ASP A 25 -1.845 -5.365 -9.209 1.00 40.12 C ATOM 399 O ASP A 25 -1.658 -5.115 -10.386 1.00 61.13 O ATOM 400 CB ASP A 25 -3.840 -4.194 -8.133 1.00 55.43 C ATOM 401 CG ASP A 25 -5.377 -4.108 -8.082 1.00 74.50 C ATOM 402 OD1 ASP A 25 -6.049 -5.156 -7.958 1.00 31.31 O ATOM 403 OD2 ASP A 25 -5.919 -2.982 -8.153 1.00 12.13 O ATOM 0 H ASP A 25 -3.694 -6.258 -6.742 1.00 31.31 H new ATOM 0 HA ASP A 25 -3.901 -5.863 -9.524 1.00 62.33 H new ATOM 0 HB2 ASP A 25 -3.446 -4.036 -7.129 1.00 55.43 H new ATOM 0 HB3 ASP A 25 -3.464 -3.381 -8.754 1.00 55.43 H new ATOM 408 N ILE A 26 -0.846 -5.506 -8.320 1.00 74.40 N ATOM 409 CA ILE A 26 0.592 -5.466 -8.685 1.00 54.43 C ATOM 410 C ILE A 26 0.945 -6.607 -9.677 1.00 64.34 C ATOM 411 O ILE A 26 1.695 -6.391 -10.627 1.00 72.40 O ATOM 412 CB ILE A 26 1.506 -5.526 -7.389 1.00 55.32 C ATOM 413 CG1 ILE A 26 1.482 -4.156 -6.632 1.00 60.13 C ATOM 414 CG2 ILE A 26 2.961 -5.957 -7.695 1.00 23.03 C ATOM 415 CD1 ILE A 26 2.200 -4.141 -5.290 1.00 42.33 C ATOM 0 H ILE A 26 -1.008 -5.652 -7.323 1.00 74.40 H new ATOM 0 HA ILE A 26 0.788 -4.519 -9.187 1.00 54.43 H new ATOM 0 HB ILE A 26 1.083 -6.296 -6.745 1.00 55.32 H new ATOM 0 HG12 ILE A 26 1.930 -3.397 -7.274 1.00 60.13 H new ATOM 0 HG13 ILE A 26 0.443 -3.866 -6.473 1.00 60.13 H new ATOM 0 HG21 ILE A 26 3.536 -5.979 -6.769 1.00 23.03 H new ATOM 0 HG22 ILE A 26 2.959 -6.950 -8.145 1.00 23.03 H new ATOM 0 HG23 ILE A 26 3.413 -5.246 -8.386 1.00 23.03 H new ATOM 0 HD11 ILE A 26 2.125 -3.147 -4.848 1.00 42.33 H new ATOM 0 HD12 ILE A 26 1.740 -4.870 -4.623 1.00 42.33 H new ATOM 0 HD13 ILE A 26 3.250 -4.395 -5.436 1.00 42.33 H new ATOM 427 N LYS A 27 0.375 -7.808 -9.459 1.00 11.03 N ATOM 428 CA LYS A 27 0.558 -8.964 -10.377 1.00 32.43 C ATOM 429 C LYS A 27 -0.179 -8.760 -11.722 1.00 3.43 C ATOM 430 O LYS A 27 0.255 -9.270 -12.769 1.00 22.24 O ATOM 431 CB LYS A 27 0.138 -10.284 -9.688 1.00 62.31 C ATOM 432 CG LYS A 27 1.004 -10.630 -8.454 1.00 21.11 C ATOM 433 CD LYS A 27 0.859 -12.096 -7.995 1.00 34.40 C ATOM 434 CE LYS A 27 1.882 -12.467 -6.907 1.00 73.41 C ATOM 435 NZ LYS A 27 3.284 -12.294 -7.377 1.00 35.44 N ATOM 0 H LYS A 27 -0.219 -8.010 -8.655 1.00 11.03 H new ATOM 0 HA LYS A 27 1.620 -9.032 -10.613 1.00 32.43 H new ATOM 0 HB2 LYS A 27 -0.906 -10.211 -9.382 1.00 62.31 H new ATOM 0 HB3 LYS A 27 0.202 -11.099 -10.409 1.00 62.31 H new ATOM 0 HG2 LYS A 27 2.050 -10.432 -8.687 1.00 21.11 H new ATOM 0 HG3 LYS A 27 0.730 -9.970 -7.631 1.00 21.11 H new ATOM 0 HD2 LYS A 27 -0.149 -12.258 -7.614 1.00 34.40 H new ATOM 0 HD3 LYS A 27 0.986 -12.758 -8.852 1.00 34.40 H new ATOM 0 HE2 LYS A 27 1.716 -11.846 -6.026 1.00 73.41 H new ATOM 0 HE3 LYS A 27 1.727 -13.502 -6.602 1.00 73.41 H new ATOM 0 HZ1 LYS A 27 3.926 -12.826 -6.756 1.00 35.44 H new ATOM 0 HZ2 LYS A 27 3.370 -12.649 -8.351 1.00 35.44 H new ATOM 0 HZ3 LYS A 27 3.536 -11.285 -7.353 1.00 35.44 H new ATOM 449 N GLU A 28 -1.289 -8.006 -11.682 1.00 31.23 N ATOM 450 CA GLU A 28 -1.968 -7.511 -12.899 1.00 42.45 C ATOM 451 C GLU A 28 -1.077 -6.479 -13.648 1.00 1.32 C ATOM 452 O GLU A 28 -1.125 -6.383 -14.877 1.00 74.11 O ATOM 453 CB GLU A 28 -3.328 -6.875 -12.523 1.00 70.04 C ATOM 454 CG GLU A 28 -4.332 -7.815 -11.826 1.00 72.03 C ATOM 455 CD GLU A 28 -4.936 -8.885 -12.755 1.00 22.41 C ATOM 456 OE1 GLU A 28 -5.923 -8.578 -13.459 1.00 11.34 O ATOM 457 OE2 GLU A 28 -4.430 -10.030 -12.795 1.00 23.13 O ATOM 0 H GLU A 28 -1.742 -7.722 -10.813 1.00 31.23 H new ATOM 0 HA GLU A 28 -2.143 -8.355 -13.566 1.00 42.45 H new ATOM 0 HB2 GLU A 28 -3.142 -6.022 -11.870 1.00 70.04 H new ATOM 0 HB3 GLU A 28 -3.791 -6.487 -13.430 1.00 70.04 H new ATOM 0 HG2 GLU A 28 -3.832 -8.311 -10.994 1.00 72.03 H new ATOM 0 HG3 GLU A 28 -5.140 -7.218 -11.403 1.00 72.03 H new ATOM 464 N VAL A 29 -0.268 -5.701 -12.891 1.00 44.01 N ATOM 465 CA VAL A 29 0.731 -4.784 -13.481 1.00 4.34 C ATOM 466 C VAL A 29 1.986 -5.562 -13.995 1.00 12.12 C ATOM 467 O VAL A 29 2.650 -5.131 -14.930 1.00 52.42 O ATOM 468 CB VAL A 29 1.204 -3.655 -12.483 1.00 72.43 C ATOM 469 CG1 VAL A 29 2.063 -2.620 -13.214 1.00 30.41 C ATOM 470 CG2 VAL A 29 0.032 -2.937 -11.779 1.00 61.01 C ATOM 0 H VAL A 29 -0.289 -5.691 -11.871 1.00 44.01 H new ATOM 0 HA VAL A 29 0.223 -4.304 -14.317 1.00 4.34 H new ATOM 0 HB VAL A 29 1.790 -4.157 -11.713 1.00 72.43 H new ATOM 0 HG11 VAL A 29 2.380 -1.849 -12.512 1.00 30.41 H new ATOM 0 HG12 VAL A 29 2.940 -3.109 -13.637 1.00 30.41 H new ATOM 0 HG13 VAL A 29 1.481 -2.164 -14.014 1.00 30.41 H new ATOM 0 HG21 VAL A 29 0.424 -2.173 -11.107 1.00 61.01 H new ATOM 0 HG22 VAL A 29 -0.609 -2.469 -12.526 1.00 61.01 H new ATOM 0 HG23 VAL A 29 -0.547 -3.661 -11.206 1.00 61.01 H new ATOM 480 N GLU A 30 2.312 -6.719 -13.388 1.00 70.45 N ATOM 481 CA GLU A 30 3.471 -7.544 -13.833 1.00 32.01 C ATOM 482 C GLU A 30 3.253 -8.118 -15.259 1.00 63.25 C ATOM 483 O GLU A 30 4.220 -8.358 -15.992 1.00 11.05 O ATOM 484 CB GLU A 30 3.790 -8.669 -12.811 1.00 43.02 C ATOM 485 CG GLU A 30 4.295 -8.149 -11.445 1.00 50.20 C ATOM 486 CD GLU A 30 4.724 -9.269 -10.478 1.00 73.30 C ATOM 487 OE1 GLU A 30 3.860 -10.037 -10.017 1.00 61.21 O ATOM 488 OE2 GLU A 30 5.929 -9.394 -10.178 1.00 54.22 O ATOM 0 H GLU A 30 1.800 -7.108 -12.596 1.00 70.45 H new ATOM 0 HA GLU A 30 4.339 -6.886 -13.879 1.00 32.01 H new ATOM 0 HB2 GLU A 30 2.893 -9.267 -12.652 1.00 43.02 H new ATOM 0 HB3 GLU A 30 4.543 -9.331 -13.238 1.00 43.02 H new ATOM 0 HG2 GLU A 30 5.140 -7.480 -11.610 1.00 50.20 H new ATOM 0 HG3 GLU A 30 3.507 -7.558 -10.977 1.00 50.20 H new ATOM 495 N LYS A 31 1.975 -8.331 -15.647 1.00 4.45 N ATOM 496 CA LYS A 31 1.607 -8.720 -17.039 1.00 3.10 C ATOM 497 C LYS A 31 1.250 -7.489 -17.929 1.00 64.55 C ATOM 498 O LYS A 31 1.217 -7.601 -19.162 1.00 21.03 O ATOM 499 CB LYS A 31 0.445 -9.749 -17.018 1.00 52.11 C ATOM 500 CG LYS A 31 -0.872 -9.238 -16.390 1.00 52.11 C ATOM 501 CD LYS A 31 -1.956 -10.337 -16.297 1.00 43.11 C ATOM 502 CE LYS A 31 -1.547 -11.507 -15.379 1.00 74.04 C ATOM 503 NZ LYS A 31 -2.535 -12.617 -15.411 1.00 72.10 N ATOM 0 H LYS A 31 1.176 -8.241 -15.019 1.00 4.45 H new ATOM 0 HA LYS A 31 2.484 -9.184 -17.491 1.00 3.10 H new ATOM 0 HB2 LYS A 31 0.243 -10.066 -18.041 1.00 52.11 H new ATOM 0 HB3 LYS A 31 0.772 -10.632 -16.469 1.00 52.11 H new ATOM 0 HG2 LYS A 31 -0.667 -8.850 -15.392 1.00 52.11 H new ATOM 0 HG3 LYS A 31 -1.254 -8.407 -16.983 1.00 52.11 H new ATOM 0 HD2 LYS A 31 -2.882 -9.897 -15.926 1.00 43.11 H new ATOM 0 HD3 LYS A 31 -2.164 -10.721 -17.296 1.00 43.11 H new ATOM 0 HE2 LYS A 31 -0.571 -11.883 -15.685 1.00 74.04 H new ATOM 0 HE3 LYS A 31 -1.443 -11.145 -14.356 1.00 74.04 H new ATOM 0 HZ1 LYS A 31 -2.219 -13.381 -14.780 1.00 72.10 H new ATOM 0 HZ2 LYS A 31 -3.461 -12.266 -15.094 1.00 72.10 H new ATOM 0 HZ3 LYS A 31 -2.616 -12.981 -16.382 1.00 72.10 H new ATOM 517 N ASN A 32 0.986 -6.321 -17.300 1.00 10.24 N ATOM 518 CA ASN A 32 0.663 -5.059 -18.023 1.00 22.24 C ATOM 519 C ASN A 32 1.241 -3.838 -17.243 1.00 23.42 C ATOM 520 O ASN A 32 0.510 -3.171 -16.497 1.00 3.51 O ATOM 521 CB ASN A 32 -0.884 -4.951 -18.216 1.00 20.31 C ATOM 522 CG ASN A 32 -1.340 -3.849 -19.189 1.00 62.52 C ATOM 523 OD1 ASN A 32 -0.715 -2.802 -19.336 1.00 74.01 O ATOM 524 ND2 ASN A 32 -2.440 -4.085 -19.874 1.00 4.34 N ATOM 0 H ASN A 32 0.989 -6.222 -16.285 1.00 10.24 H new ATOM 0 HA ASN A 32 1.124 -5.064 -19.011 1.00 22.24 H new ATOM 0 HB2 ASN A 32 -1.259 -5.910 -18.574 1.00 20.31 H new ATOM 0 HB3 ASN A 32 -1.345 -4.772 -17.245 1.00 20.31 H new ATOM 0 HD21 ASN A 32 -2.785 -3.393 -20.539 1.00 4.34 H new ATOM 0 HD22 ASN A 32 -2.947 -4.960 -19.740 1.00 4.34 H new ATOM 531 N PRO A 33 2.591 -3.557 -17.364 1.00 4.43 N ATOM 532 CA PRO A 33 3.285 -2.512 -16.543 1.00 24.31 C ATOM 533 C PRO A 33 2.755 -1.077 -16.764 1.00 40.13 C ATOM 534 O PRO A 33 2.738 -0.257 -15.840 1.00 31.30 O ATOM 535 CB PRO A 33 4.779 -2.652 -16.957 1.00 51.03 C ATOM 536 CG PRO A 33 4.727 -3.288 -18.312 1.00 74.55 C ATOM 537 CD PRO A 33 3.551 -4.242 -18.275 1.00 23.12 C ATOM 0 HA PRO A 33 3.114 -2.669 -15.478 1.00 24.31 H new ATOM 0 HB2 PRO A 33 5.275 -1.682 -16.991 1.00 51.03 H new ATOM 0 HB3 PRO A 33 5.332 -3.269 -16.249 1.00 51.03 H new ATOM 0 HG2 PRO A 33 4.597 -2.537 -19.092 1.00 74.55 H new ATOM 0 HG3 PRO A 33 5.654 -3.818 -18.531 1.00 74.55 H new ATOM 0 HD2 PRO A 33 3.126 -4.397 -19.267 1.00 23.12 H new ATOM 0 HD3 PRO A 33 3.839 -5.222 -17.895 1.00 23.12 H new ATOM 545 N GLU A 34 2.293 -0.797 -17.988 1.00 22.42 N ATOM 546 CA GLU A 34 1.874 0.552 -18.406 1.00 74.21 C ATOM 547 C GLU A 34 0.402 0.873 -18.027 1.00 52.42 C ATOM 548 O GLU A 34 -0.078 1.976 -18.330 1.00 52.24 O ATOM 549 CB GLU A 34 2.108 0.709 -19.949 1.00 32.24 C ATOM 550 CG GLU A 34 3.016 1.890 -20.341 1.00 41.11 C ATOM 551 CD GLU A 34 3.016 2.164 -21.857 1.00 11.40 C ATOM 552 OE1 GLU A 34 3.726 1.454 -22.603 1.00 54.23 O ATOM 553 OE2 GLU A 34 2.273 3.067 -22.309 1.00 24.50 O ATOM 0 H GLU A 34 2.198 -1.500 -18.721 1.00 22.42 H new ATOM 0 HA GLU A 34 2.484 1.275 -17.865 1.00 74.21 H new ATOM 0 HB2 GLU A 34 2.546 -0.212 -20.333 1.00 32.24 H new ATOM 0 HB3 GLU A 34 1.142 0.831 -20.439 1.00 32.24 H new ATOM 0 HG2 GLU A 34 2.687 2.786 -19.814 1.00 41.11 H new ATOM 0 HG3 GLU A 34 4.035 1.684 -20.013 1.00 41.11 H new ATOM 560 N ASP A 35 -0.317 -0.075 -17.377 1.00 53.13 N ATOM 561 CA ASP A 35 -1.724 0.154 -16.979 1.00 30.24 C ATOM 562 C ASP A 35 -1.800 1.148 -15.788 1.00 32.04 C ATOM 563 O ASP A 35 -1.523 0.796 -14.631 1.00 51.13 O ATOM 564 CB ASP A 35 -2.455 -1.167 -16.643 1.00 24.22 C ATOM 565 CG ASP A 35 -3.988 -0.981 -16.623 1.00 12.43 C ATOM 566 OD1 ASP A 35 -4.551 -0.558 -15.593 1.00 55.23 O ATOM 567 OD2 ASP A 35 -4.636 -1.217 -17.662 1.00 73.32 O ATOM 0 H ASP A 35 0.049 -0.992 -17.121 1.00 53.13 H new ATOM 0 HA ASP A 35 -2.237 0.595 -17.834 1.00 30.24 H new ATOM 0 HB2 ASP A 35 -2.190 -1.927 -17.378 1.00 24.22 H new ATOM 0 HB3 ASP A 35 -2.120 -1.532 -15.672 1.00 24.22 H new ATOM 572 N MET A 36 -2.187 2.388 -16.104 1.00 45.12 N ATOM 573 CA MET A 36 -2.199 3.513 -15.153 1.00 73.41 C ATOM 574 C MET A 36 -3.422 3.494 -14.217 1.00 33.31 C ATOM 575 O MET A 36 -3.392 4.107 -13.149 1.00 34.50 O ATOM 576 CB MET A 36 -2.123 4.839 -15.945 1.00 75.54 C ATOM 577 CG MET A 36 -0.874 5.000 -16.852 1.00 43.13 C ATOM 578 SD MET A 36 0.626 5.552 -15.996 1.00 70.11 S ATOM 579 CE MET A 36 1.083 4.183 -14.926 1.00 52.25 C ATOM 0 H MET A 36 -2.505 2.646 -17.038 1.00 45.12 H new ATOM 0 HA MET A 36 -1.329 3.417 -14.504 1.00 73.41 H new ATOM 0 HB2 MET A 36 -3.015 4.924 -16.565 1.00 75.54 H new ATOM 0 HB3 MET A 36 -2.147 5.668 -15.237 1.00 75.54 H new ATOM 0 HG2 MET A 36 -0.668 4.045 -17.335 1.00 43.13 H new ATOM 0 HG3 MET A 36 -1.107 5.713 -17.643 1.00 43.13 H new ATOM 0 HE1 MET A 36 2.153 4.223 -14.721 1.00 52.25 H new ATOM 0 HE2 MET A 36 0.531 4.254 -13.989 1.00 52.25 H new ATOM 0 HE3 MET A 36 0.842 3.241 -15.418 1.00 52.25 H new ATOM 589 N GLU A 37 -4.486 2.799 -14.637 1.00 40.14 N ATOM 590 CA GLU A 37 -5.700 2.596 -13.812 1.00 22.23 C ATOM 591 C GLU A 37 -5.422 1.654 -12.617 1.00 32.14 C ATOM 592 O GLU A 37 -5.904 1.903 -11.514 1.00 51.51 O ATOM 593 CB GLU A 37 -6.872 2.050 -14.668 1.00 33.21 C ATOM 594 CG GLU A 37 -8.219 1.886 -13.915 1.00 53.40 C ATOM 595 CD GLU A 37 -8.701 3.169 -13.197 1.00 64.21 C ATOM 596 OE1 GLU A 37 -8.971 4.182 -13.877 1.00 42.11 O ATOM 597 OE2 GLU A 37 -8.805 3.173 -11.947 1.00 33.34 O ATOM 0 H GLU A 37 -4.537 2.359 -15.556 1.00 40.14 H new ATOM 0 HA GLU A 37 -5.987 3.570 -13.415 1.00 22.23 H new ATOM 0 HB2 GLU A 37 -7.026 2.720 -15.514 1.00 33.21 H new ATOM 0 HB3 GLU A 37 -6.582 1.082 -15.077 1.00 33.21 H new ATOM 0 HG2 GLU A 37 -8.984 1.571 -14.625 1.00 53.40 H new ATOM 0 HG3 GLU A 37 -8.117 1.087 -13.180 1.00 53.40 H new ATOM 604 N TYR A 38 -4.642 0.583 -12.841 1.00 61.41 N ATOM 605 CA TYR A 38 -4.225 -0.337 -11.755 1.00 54.03 C ATOM 606 C TYR A 38 -3.321 0.380 -10.734 1.00 20.30 C ATOM 607 O TYR A 38 -3.443 0.156 -9.530 1.00 34.15 O ATOM 608 CB TYR A 38 -3.538 -1.621 -12.318 1.00 72.03 C ATOM 609 CG TYR A 38 -4.533 -2.756 -12.631 1.00 31.03 C ATOM 610 CD1 TYR A 38 -5.460 -3.167 -11.665 1.00 13.34 C ATOM 611 CD2 TYR A 38 -4.558 -3.409 -13.865 1.00 4.22 C ATOM 612 CE1 TYR A 38 -6.362 -4.179 -11.915 1.00 71.22 C ATOM 613 CE2 TYR A 38 -5.466 -4.427 -14.119 1.00 53.24 C ATOM 614 CZ TYR A 38 -6.368 -4.802 -13.141 1.00 71.34 C ATOM 615 OH TYR A 38 -7.272 -5.814 -13.388 1.00 4.45 O ATOM 0 H TYR A 38 -4.285 0.328 -13.762 1.00 61.41 H new ATOM 0 HA TYR A 38 -5.128 -0.656 -11.234 1.00 54.03 H new ATOM 0 HB2 TYR A 38 -2.992 -1.365 -13.226 1.00 72.03 H new ATOM 0 HB3 TYR A 38 -2.804 -1.979 -11.596 1.00 72.03 H new ATOM 0 HD1 TYR A 38 -5.468 -2.680 -10.701 1.00 13.34 H new ATOM 0 HD2 TYR A 38 -3.859 -3.117 -14.635 1.00 4.22 H new ATOM 0 HE1 TYR A 38 -7.062 -4.482 -11.150 1.00 71.22 H new ATOM 0 HE2 TYR A 38 -5.468 -4.925 -15.078 1.00 53.24 H new ATOM 0 HH TYR A 38 -6.804 -6.675 -13.403 1.00 4.45 H new ATOM 625 N TRP A 39 -2.433 1.261 -11.221 1.00 63.24 N ATOM 626 CA TRP A 39 -1.617 2.124 -10.341 1.00 42.53 C ATOM 627 C TRP A 39 -2.460 3.219 -9.644 1.00 51.14 C ATOM 628 O TRP A 39 -2.152 3.610 -8.525 1.00 74.35 O ATOM 629 CB TRP A 39 -0.429 2.742 -11.124 1.00 61.50 C ATOM 630 CG TRP A 39 0.688 1.756 -11.413 1.00 43.33 C ATOM 631 CD1 TRP A 39 1.214 1.432 -12.634 1.00 4.51 C ATOM 632 CD2 TRP A 39 1.409 0.961 -10.443 1.00 54.42 C ATOM 633 NE1 TRP A 39 2.219 0.515 -12.484 1.00 13.22 N ATOM 634 CE2 TRP A 39 2.350 0.203 -11.147 1.00 43.12 C ATOM 635 CE3 TRP A 39 1.350 0.818 -9.052 1.00 15.10 C ATOM 636 CZ2 TRP A 39 3.225 -0.679 -10.510 1.00 63.31 C ATOM 637 CZ3 TRP A 39 2.216 -0.054 -8.422 1.00 44.42 C ATOM 638 CH2 TRP A 39 3.141 -0.798 -9.153 1.00 62.42 C ATOM 0 H TRP A 39 -2.259 1.397 -12.217 1.00 63.24 H new ATOM 0 HA TRP A 39 -1.215 1.489 -9.551 1.00 42.53 H new ATOM 0 HB2 TRP A 39 -0.798 3.147 -12.067 1.00 61.50 H new ATOM 0 HB3 TRP A 39 -0.025 3.579 -10.554 1.00 61.50 H new ATOM 0 HD1 TRP A 39 0.884 1.840 -13.578 1.00 4.51 H new ATOM 0 HE1 TRP A 39 2.781 0.125 -13.240 1.00 13.22 H new ATOM 0 HE3 TRP A 39 0.633 1.385 -8.476 1.00 15.10 H new ATOM 0 HZ2 TRP A 39 3.947 -1.250 -11.074 1.00 63.31 H new ATOM 0 HZ3 TRP A 39 2.176 -0.161 -7.348 1.00 44.42 H new ATOM 0 HH2 TRP A 39 3.802 -1.479 -8.637 1.00 62.42 H new ATOM 649 N ASN A 40 -3.525 3.696 -10.302 1.00 73.41 N ATOM 650 CA ASN A 40 -4.468 4.664 -9.722 1.00 13.30 C ATOM 651 C ASN A 40 -5.236 4.027 -8.529 1.00 33.53 C ATOM 652 O ASN A 40 -5.402 4.658 -7.479 1.00 11.22 O ATOM 653 CB ASN A 40 -5.417 5.104 -10.853 1.00 42.15 C ATOM 654 CG ASN A 40 -6.530 6.041 -10.446 1.00 12.24 C ATOM 655 OD1 ASN A 40 -6.385 6.896 -9.570 1.00 61.40 O ATOM 656 ND2 ASN A 40 -7.665 5.869 -11.072 1.00 63.44 N ATOM 0 H ASN A 40 -3.758 3.421 -11.256 1.00 73.41 H new ATOM 0 HA ASN A 40 -3.947 5.533 -9.320 1.00 13.30 H new ATOM 0 HB2 ASN A 40 -4.826 5.587 -11.631 1.00 42.15 H new ATOM 0 HB3 ASN A 40 -5.861 4.213 -11.297 1.00 42.15 H new ATOM 0 HD21 ASN A 40 -8.469 6.453 -10.841 1.00 63.44 H new ATOM 0 HD22 ASN A 40 -7.747 5.151 -11.792 1.00 63.44 H new ATOM 663 N LYS A 41 -5.658 2.757 -8.704 1.00 74.43 N ATOM 664 CA LYS A 41 -6.305 1.952 -7.640 1.00 60.41 C ATOM 665 C LYS A 41 -5.356 1.755 -6.437 1.00 3.25 C ATOM 666 O LYS A 41 -5.701 2.104 -5.305 1.00 33.32 O ATOM 667 CB LYS A 41 -6.736 0.567 -8.202 1.00 21.41 C ATOM 668 CG LYS A 41 -7.909 0.609 -9.210 1.00 61.04 C ATOM 669 CD LYS A 41 -9.228 1.114 -8.573 1.00 63.52 C ATOM 670 CE LYS A 41 -10.408 1.105 -9.561 1.00 23.42 C ATOM 671 NZ LYS A 41 -11.671 1.521 -8.907 1.00 74.22 N ATOM 0 H LYS A 41 -5.561 2.258 -9.588 1.00 74.43 H new ATOM 0 HA LYS A 41 -7.187 2.494 -7.298 1.00 60.41 H new ATOM 0 HB2 LYS A 41 -5.876 0.104 -8.687 1.00 21.41 H new ATOM 0 HB3 LYS A 41 -7.016 -0.076 -7.368 1.00 21.41 H new ATOM 0 HG2 LYS A 41 -7.642 1.257 -10.045 1.00 61.04 H new ATOM 0 HG3 LYS A 41 -8.067 -0.389 -9.619 1.00 61.04 H new ATOM 0 HD2 LYS A 41 -9.474 0.489 -7.714 1.00 63.52 H new ATOM 0 HD3 LYS A 41 -9.081 2.127 -8.199 1.00 63.52 H new ATOM 0 HE2 LYS A 41 -10.191 1.774 -10.393 1.00 23.42 H new ATOM 0 HE3 LYS A 41 -10.526 0.105 -9.978 1.00 23.42 H new ATOM 0 HZ1 LYS A 41 -12.444 1.503 -9.602 1.00 74.22 H new ATOM 0 HZ2 LYS A 41 -11.890 0.867 -8.128 1.00 74.22 H new ATOM 0 HZ3 LYS A 41 -11.566 2.485 -8.531 1.00 74.22 H new ATOM 685 N ILE A 42 -4.149 1.228 -6.724 1.00 45.23 N ATOM 686 CA ILE A 42 -3.083 0.987 -5.718 1.00 1.50 C ATOM 687 C ILE A 42 -2.739 2.270 -4.916 1.00 14.31 C ATOM 688 O ILE A 42 -2.641 2.224 -3.697 1.00 71.10 O ATOM 689 CB ILE A 42 -1.797 0.394 -6.428 1.00 32.13 C ATOM 690 CG1 ILE A 42 -2.090 -1.066 -6.921 1.00 21.14 C ATOM 691 CG2 ILE A 42 -0.528 0.444 -5.530 1.00 14.31 C ATOM 692 CD1 ILE A 42 -1.007 -1.695 -7.786 1.00 15.31 C ATOM 0 H ILE A 42 -3.879 0.953 -7.669 1.00 45.23 H new ATOM 0 HA ILE A 42 -3.457 0.259 -4.998 1.00 1.50 H new ATOM 0 HB ILE A 42 -1.576 1.027 -7.287 1.00 32.13 H new ATOM 0 HG12 ILE A 42 -2.248 -1.700 -6.049 1.00 21.14 H new ATOM 0 HG13 ILE A 42 -3.023 -1.060 -7.484 1.00 21.14 H new ATOM 0 HG21 ILE A 42 0.319 0.024 -6.073 1.00 14.31 H new ATOM 0 HG22 ILE A 42 -0.311 1.479 -5.264 1.00 14.31 H new ATOM 0 HG23 ILE A 42 -0.701 -0.135 -4.623 1.00 14.31 H new ATOM 0 HD11 ILE A 42 -1.309 -2.702 -8.072 1.00 15.31 H new ATOM 0 HD12 ILE A 42 -0.861 -1.092 -8.682 1.00 15.31 H new ATOM 0 HD13 ILE A 42 -0.074 -1.742 -7.224 1.00 15.31 H new ATOM 704 N TYR A 43 -2.609 3.404 -5.622 1.00 25.41 N ATOM 705 CA TYR A 43 -2.303 4.726 -5.016 1.00 50.12 C ATOM 706 C TYR A 43 -3.367 5.152 -3.968 1.00 54.42 C ATOM 707 O TYR A 43 -3.026 5.603 -2.864 1.00 33.52 O ATOM 708 CB TYR A 43 -2.196 5.789 -6.139 1.00 12.35 C ATOM 709 CG TYR A 43 -1.862 7.203 -5.651 1.00 32.32 C ATOM 710 CD1 TYR A 43 -0.590 7.513 -5.173 1.00 3.41 C ATOM 711 CD2 TYR A 43 -2.816 8.225 -5.659 1.00 2.12 C ATOM 712 CE1 TYR A 43 -0.288 8.782 -4.722 1.00 75.10 C ATOM 713 CE2 TYR A 43 -2.511 9.494 -5.210 1.00 31.22 C ATOM 714 CZ TYR A 43 -1.246 9.767 -4.745 1.00 43.01 C ATOM 715 OH TYR A 43 -0.934 11.034 -4.298 1.00 60.43 O ATOM 0 H TYR A 43 -2.712 3.438 -6.636 1.00 25.41 H new ATOM 0 HA TYR A 43 -1.353 4.644 -4.487 1.00 50.12 H new ATOM 0 HB2 TYR A 43 -1.430 5.473 -6.848 1.00 12.35 H new ATOM 0 HB3 TYR A 43 -3.140 5.820 -6.683 1.00 12.35 H new ATOM 0 HD1 TYR A 43 0.172 6.748 -5.155 1.00 3.41 H new ATOM 0 HD2 TYR A 43 -3.811 8.017 -6.024 1.00 2.12 H new ATOM 0 HE1 TYR A 43 0.702 9.001 -4.351 1.00 75.10 H new ATOM 0 HE2 TYR A 43 -3.263 10.269 -5.224 1.00 31.22 H new ATOM 0 HH TYR A 43 -1.720 11.613 -4.381 1.00 60.43 H new ATOM 725 N ARG A 44 -4.654 5.000 -4.336 1.00 11.12 N ATOM 726 CA ARG A 44 -5.801 5.333 -3.452 1.00 54.22 C ATOM 727 C ARG A 44 -5.839 4.420 -2.201 1.00 31.32 C ATOM 728 O ARG A 44 -6.096 4.888 -1.085 1.00 1.44 O ATOM 729 CB ARG A 44 -7.135 5.216 -4.238 1.00 64.41 C ATOM 730 CG ARG A 44 -7.275 6.205 -5.423 1.00 32.13 C ATOM 731 CD ARG A 44 -8.549 5.958 -6.256 1.00 11.31 C ATOM 732 NE ARG A 44 -8.639 6.860 -7.424 1.00 13.13 N ATOM 733 CZ ARG A 44 -9.548 6.789 -8.376 1.00 53.03 C ATOM 734 NH1 ARG A 44 -10.469 5.876 -8.368 1.00 34.33 N ATOM 735 NH2 ARG A 44 -9.513 7.629 -9.358 1.00 35.30 N ATOM 0 H ARG A 44 -4.933 4.644 -5.250 1.00 11.12 H new ATOM 0 HA ARG A 44 -5.672 6.361 -3.113 1.00 54.22 H new ATOM 0 HB2 ARG A 44 -7.230 4.199 -4.618 1.00 64.41 H new ATOM 0 HB3 ARG A 44 -7.963 5.377 -3.548 1.00 64.41 H new ATOM 0 HG2 ARG A 44 -7.288 7.225 -5.040 1.00 32.13 H new ATOM 0 HG3 ARG A 44 -6.401 6.118 -6.069 1.00 32.13 H new ATOM 0 HD2 ARG A 44 -8.562 4.923 -6.597 1.00 11.31 H new ATOM 0 HD3 ARG A 44 -9.426 6.097 -5.624 1.00 11.31 H new ATOM 0 HE ARG A 44 -7.940 7.599 -7.499 1.00 13.13 H new ATOM 0 HH11 ARG A 44 -10.502 5.191 -7.613 1.00 34.33 H new ATOM 0 HH12 ARG A 44 -11.161 5.843 -9.117 1.00 34.33 H new ATOM 0 HH21 ARG A 44 -8.785 8.342 -9.393 1.00 35.30 H new ATOM 0 HH22 ARG A 44 -10.214 7.579 -10.097 1.00 35.30 H new ATOM 749 N LEU A 45 -5.562 3.120 -2.408 1.00 61.13 N ATOM 750 CA LEU A 45 -5.539 2.108 -1.324 1.00 54.53 C ATOM 751 C LEU A 45 -4.359 2.346 -0.346 1.00 41.45 C ATOM 752 O LEU A 45 -4.507 2.160 0.860 1.00 44.23 O ATOM 753 CB LEU A 45 -5.475 0.680 -1.934 1.00 62.44 C ATOM 754 CG LEU A 45 -6.664 0.284 -2.875 1.00 3.31 C ATOM 755 CD1 LEU A 45 -6.464 -1.122 -3.481 1.00 15.04 C ATOM 756 CD2 LEU A 45 -8.023 0.399 -2.150 1.00 71.04 C ATOM 0 H LEU A 45 -5.347 2.737 -3.329 1.00 61.13 H new ATOM 0 HA LEU A 45 -6.459 2.205 -0.748 1.00 54.53 H new ATOM 0 HB2 LEU A 45 -4.546 0.587 -2.496 1.00 62.44 H new ATOM 0 HB3 LEU A 45 -5.427 -0.041 -1.118 1.00 62.44 H new ATOM 0 HG LEU A 45 -6.674 0.995 -3.701 1.00 3.31 H new ATOM 0 HD11 LEU A 45 -7.308 -1.363 -4.128 1.00 15.04 H new ATOM 0 HD12 LEU A 45 -5.543 -1.139 -4.064 1.00 15.04 H new ATOM 0 HD13 LEU A 45 -6.400 -1.858 -2.679 1.00 15.04 H new ATOM 0 HD21 LEU A 45 -8.825 0.117 -2.833 1.00 71.04 H new ATOM 0 HD22 LEU A 45 -8.032 -0.265 -1.286 1.00 71.04 H new ATOM 0 HD23 LEU A 45 -8.173 1.427 -1.819 1.00 71.04 H new ATOM 768 N VAL A 46 -3.203 2.779 -0.885 1.00 52.13 N ATOM 769 CA VAL A 46 -2.004 3.140 -0.083 1.00 32.40 C ATOM 770 C VAL A 46 -2.245 4.429 0.749 1.00 62.31 C ATOM 771 O VAL A 46 -1.778 4.533 1.891 1.00 43.43 O ATOM 772 CB VAL A 46 -0.728 3.290 -1.001 1.00 12.42 C ATOM 773 CG1 VAL A 46 0.465 3.913 -0.239 1.00 21.23 C ATOM 774 CG2 VAL A 46 -0.326 1.916 -1.604 1.00 43.01 C ATOM 0 H VAL A 46 -3.068 2.891 -1.890 1.00 52.13 H new ATOM 0 HA VAL A 46 -1.821 2.324 0.616 1.00 32.40 H new ATOM 0 HB VAL A 46 -0.990 3.971 -1.811 1.00 12.42 H new ATOM 0 HG11 VAL A 46 1.321 3.997 -0.909 1.00 21.23 H new ATOM 0 HG12 VAL A 46 0.188 4.903 0.123 1.00 21.23 H new ATOM 0 HG13 VAL A 46 0.728 3.278 0.607 1.00 21.23 H new ATOM 0 HG21 VAL A 46 0.555 2.039 -2.234 1.00 43.01 H new ATOM 0 HG22 VAL A 46 -0.102 1.217 -0.798 1.00 43.01 H new ATOM 0 HG23 VAL A 46 -1.149 1.527 -2.204 1.00 43.01 H new ATOM 784 N HIS A 47 -2.995 5.395 0.172 1.00 43.31 N ATOM 785 CA HIS A 47 -3.442 6.610 0.905 1.00 4.00 C ATOM 786 C HIS A 47 -4.316 6.228 2.124 1.00 23.12 C ATOM 787 O HIS A 47 -4.224 6.856 3.183 1.00 11.23 O ATOM 788 CB HIS A 47 -4.222 7.578 -0.027 1.00 34.20 C ATOM 789 CG HIS A 47 -4.755 8.807 0.683 1.00 23.02 C ATOM 790 ND1 HIS A 47 -6.086 8.980 1.012 1.00 35.33 N ATOM 791 CD2 HIS A 47 -4.120 9.907 1.161 1.00 12.45 C ATOM 792 CE1 HIS A 47 -6.245 10.113 1.655 1.00 2.24 C ATOM 793 NE2 HIS A 47 -5.071 10.693 1.760 1.00 42.21 N ATOM 0 H HIS A 47 -3.305 5.360 -0.799 1.00 43.31 H new ATOM 0 HA HIS A 47 -2.549 7.124 1.261 1.00 4.00 H new ATOM 0 HB2 HIS A 47 -3.567 7.893 -0.839 1.00 34.20 H new ATOM 0 HB3 HIS A 47 -5.055 7.040 -0.480 1.00 34.20 H new ATOM 0 HD2 HIS A 47 -3.065 10.123 1.084 1.00 12.45 H new ATOM 0 HE1 HIS A 47 -7.179 10.501 2.033 1.00 2.24 H new ATOM 0 HE2 HIS A 47 -4.894 11.588 2.216 1.00 42.21 H new ATOM 802 N THR A 48 -5.163 5.195 1.947 1.00 71.21 N ATOM 803 CA THR A 48 -5.992 4.642 3.036 1.00 43.30 C ATOM 804 C THR A 48 -5.106 3.973 4.126 1.00 42.22 C ATOM 805 O THR A 48 -5.315 4.213 5.305 1.00 45.42 O ATOM 806 CB THR A 48 -7.044 3.612 2.500 1.00 24.42 C ATOM 807 OG1 THR A 48 -7.818 4.189 1.444 1.00 33.24 O ATOM 808 CG2 THR A 48 -7.996 3.117 3.606 1.00 65.20 C ATOM 0 H THR A 48 -5.291 4.723 1.052 1.00 71.21 H new ATOM 0 HA THR A 48 -6.531 5.478 3.481 1.00 43.30 H new ATOM 0 HB THR A 48 -6.480 2.757 2.128 1.00 24.42 H new ATOM 0 HG1 THR A 48 -7.235 4.389 0.682 1.00 33.24 H new ATOM 0 HG21 THR A 48 -8.706 2.406 3.184 1.00 65.20 H new ATOM 0 HG22 THR A 48 -7.419 2.630 4.392 1.00 65.20 H new ATOM 0 HG23 THR A 48 -8.538 3.964 4.026 1.00 65.20 H new ATOM 816 N MET A 49 -4.096 3.157 3.708 1.00 15.45 N ATOM 817 CA MET A 49 -3.132 2.484 4.647 1.00 61.12 C ATOM 818 C MET A 49 -2.406 3.511 5.539 1.00 31.04 C ATOM 819 O MET A 49 -2.293 3.334 6.758 1.00 1.11 O ATOM 820 CB MET A 49 -2.060 1.683 3.857 1.00 35.24 C ATOM 821 CG MET A 49 -2.622 0.624 2.934 1.00 3.03 C ATOM 822 SD MET A 49 -1.371 -0.205 1.944 1.00 21.23 S ATOM 823 CE MET A 49 -2.410 -1.244 0.925 1.00 63.15 C ATOM 0 H MET A 49 -3.923 2.945 2.725 1.00 15.45 H new ATOM 0 HA MET A 49 -3.718 1.810 5.272 1.00 61.12 H new ATOM 0 HB2 MET A 49 -1.464 2.381 3.269 1.00 35.24 H new ATOM 0 HB3 MET A 49 -1.384 1.207 4.567 1.00 35.24 H new ATOM 0 HG2 MET A 49 -3.154 -0.119 3.528 1.00 3.03 H new ATOM 0 HG3 MET A 49 -3.353 1.084 2.269 1.00 3.03 H new ATOM 0 HE1 MET A 49 -1.807 -1.708 0.144 1.00 63.15 H new ATOM 0 HE2 MET A 49 -2.865 -2.020 1.541 1.00 63.15 H new ATOM 0 HE3 MET A 49 -3.193 -0.639 0.468 1.00 63.15 H new ATOM 833 N LYS A 50 -1.913 4.571 4.880 1.00 3.35 N ATOM 834 CA LYS A 50 -1.277 5.725 5.529 1.00 30.31 C ATOM 835 C LYS A 50 -2.227 6.379 6.557 1.00 71.44 C ATOM 836 O LYS A 50 -1.869 6.564 7.710 1.00 2.04 O ATOM 837 CB LYS A 50 -0.863 6.746 4.440 1.00 3.31 C ATOM 838 CG LYS A 50 -0.159 8.018 4.968 1.00 41.30 C ATOM 839 CD LYS A 50 0.271 8.972 3.830 1.00 23.51 C ATOM 840 CE LYS A 50 0.849 10.298 4.354 1.00 71.23 C ATOM 841 NZ LYS A 50 -0.171 11.124 5.050 1.00 61.14 N ATOM 0 H LYS A 50 -1.946 4.650 3.864 1.00 3.35 H new ATOM 0 HA LYS A 50 -0.393 5.389 6.072 1.00 30.31 H new ATOM 0 HB2 LYS A 50 -0.200 6.250 3.732 1.00 3.31 H new ATOM 0 HB3 LYS A 50 -1.753 7.045 3.887 1.00 3.31 H new ATOM 0 HG2 LYS A 50 -0.830 8.546 5.646 1.00 41.30 H new ATOM 0 HG3 LYS A 50 0.718 7.730 5.547 1.00 41.30 H new ATOM 0 HD2 LYS A 50 1.016 8.476 3.208 1.00 23.51 H new ATOM 0 HD3 LYS A 50 -0.588 9.181 3.193 1.00 23.51 H new ATOM 0 HE2 LYS A 50 1.671 10.088 5.038 1.00 71.23 H new ATOM 0 HE3 LYS A 50 1.265 10.865 3.521 1.00 71.23 H new ATOM 0 HZ1 LYS A 50 -0.220 12.063 4.605 1.00 61.14 H new ATOM 0 HZ2 LYS A 50 -1.099 10.660 4.982 1.00 61.14 H new ATOM 0 HZ3 LYS A 50 0.091 11.229 6.051 1.00 61.14 H new ATOM 855 N GLU A 51 -3.456 6.661 6.120 1.00 20.53 N ATOM 856 CA GLU A 51 -4.498 7.304 6.945 1.00 52.22 C ATOM 857 C GLU A 51 -4.914 6.423 8.170 1.00 43.31 C ATOM 858 O GLU A 51 -5.278 6.949 9.233 1.00 14.33 O ATOM 859 CB GLU A 51 -5.711 7.613 6.028 1.00 2.33 C ATOM 860 CG GLU A 51 -6.792 8.507 6.650 1.00 74.53 C ATOM 861 CD GLU A 51 -7.920 8.858 5.660 1.00 50.31 C ATOM 862 OE1 GLU A 51 -7.728 9.771 4.825 1.00 23.40 O ATOM 863 OE2 GLU A 51 -8.997 8.221 5.708 1.00 53.12 O ATOM 0 H GLU A 51 -3.766 6.449 5.172 1.00 20.53 H new ATOM 0 HA GLU A 51 -4.103 8.227 7.369 1.00 52.22 H new ATOM 0 HB2 GLU A 51 -5.346 8.091 5.119 1.00 2.33 H new ATOM 0 HB3 GLU A 51 -6.170 6.670 5.730 1.00 2.33 H new ATOM 0 HG2 GLU A 51 -7.219 8.003 7.517 1.00 74.53 H new ATOM 0 HG3 GLU A 51 -6.332 9.427 7.011 1.00 74.53 H new ATOM 870 N ILE A 52 -4.854 5.078 8.005 1.00 44.20 N ATOM 871 CA ILE A 52 -5.143 4.105 9.093 1.00 53.41 C ATOM 872 C ILE A 52 -4.036 4.141 10.180 1.00 41.04 C ATOM 873 O ILE A 52 -4.333 4.262 11.374 1.00 64.02 O ATOM 874 CB ILE A 52 -5.325 2.632 8.536 1.00 71.44 C ATOM 875 CG1 ILE A 52 -6.582 2.544 7.610 1.00 32.14 C ATOM 876 CG2 ILE A 52 -5.419 1.578 9.679 1.00 12.12 C ATOM 877 CD1 ILE A 52 -6.791 1.195 6.938 1.00 53.03 C ATOM 0 H ILE A 52 -4.605 4.637 7.119 1.00 44.20 H new ATOM 0 HA ILE A 52 -6.087 4.405 9.548 1.00 53.41 H new ATOM 0 HB ILE A 52 -4.435 2.399 7.951 1.00 71.44 H new ATOM 0 HG12 ILE A 52 -7.467 2.780 8.201 1.00 32.14 H new ATOM 0 HG13 ILE A 52 -6.500 3.309 6.838 1.00 32.14 H new ATOM 0 HG21 ILE A 52 -5.543 0.584 9.248 1.00 12.12 H new ATOM 0 HG22 ILE A 52 -4.506 1.604 10.274 1.00 12.12 H new ATOM 0 HG23 ILE A 52 -6.274 1.807 10.316 1.00 12.12 H new ATOM 0 HD11 ILE A 52 -7.686 1.232 6.317 1.00 53.03 H new ATOM 0 HD12 ILE A 52 -5.927 0.961 6.315 1.00 53.03 H new ATOM 0 HD13 ILE A 52 -6.909 0.424 7.699 1.00 53.03 H new ATOM 889 N THR A 53 -2.759 4.055 9.764 1.00 42.13 N ATOM 890 CA THR A 53 -1.619 4.093 10.716 1.00 13.40 C ATOM 891 C THR A 53 -1.450 5.490 11.379 1.00 15.31 C ATOM 892 O THR A 53 -0.975 5.581 12.510 1.00 42.13 O ATOM 893 CB THR A 53 -0.268 3.617 10.076 1.00 11.43 C ATOM 894 OG1 THR A 53 0.793 3.754 11.002 1.00 31.41 O ATOM 895 CG2 THR A 53 0.098 4.374 8.801 1.00 61.51 C ATOM 0 H THR A 53 -2.486 3.959 8.786 1.00 42.13 H new ATOM 0 HA THR A 53 -1.873 3.378 11.498 1.00 13.40 H new ATOM 0 HB THR A 53 -0.418 2.571 9.810 1.00 11.43 H new ATOM 0 HG1 THR A 53 1.137 4.671 10.972 1.00 31.41 H new ATOM 0 HG21 THR A 53 1.043 3.995 8.411 1.00 61.51 H new ATOM 0 HG22 THR A 53 -0.685 4.232 8.056 1.00 61.51 H new ATOM 0 HG23 THR A 53 0.198 5.436 9.024 1.00 61.51 H new ATOM 903 N GLU A 54 -1.859 6.573 10.680 1.00 65.00 N ATOM 904 CA GLU A 54 -1.815 7.954 11.236 1.00 43.42 C ATOM 905 C GLU A 54 -2.855 8.157 12.359 1.00 62.41 C ATOM 906 O GLU A 54 -2.543 8.779 13.380 1.00 4.42 O ATOM 907 CB GLU A 54 -2.007 9.019 10.124 1.00 0.21 C ATOM 908 CG GLU A 54 -0.841 9.099 9.130 1.00 1.23 C ATOM 909 CD GLU A 54 -1.029 10.180 8.060 1.00 3.21 C ATOM 910 OE1 GLU A 54 -1.942 10.045 7.219 1.00 44.22 O ATOM 911 OE2 GLU A 54 -0.252 11.163 8.028 1.00 1.13 O ATOM 0 H GLU A 54 -2.224 6.522 9.729 1.00 65.00 H new ATOM 0 HA GLU A 54 -0.824 8.085 11.671 1.00 43.42 H new ATOM 0 HB2 GLU A 54 -2.923 8.797 9.577 1.00 0.21 H new ATOM 0 HB3 GLU A 54 -2.142 9.995 10.589 1.00 0.21 H new ATOM 0 HG2 GLU A 54 0.081 9.296 9.677 1.00 1.23 H new ATOM 0 HG3 GLU A 54 -0.722 8.132 8.642 1.00 1.23 H new ATOM 918 N THR A 55 -4.087 7.623 12.182 1.00 33.45 N ATOM 919 CA THR A 55 -5.129 7.686 13.247 1.00 2.22 C ATOM 920 C THR A 55 -4.775 6.750 14.440 1.00 20.52 C ATOM 921 O THR A 55 -5.274 6.935 15.550 1.00 52.21 O ATOM 922 CB THR A 55 -6.574 7.379 12.713 1.00 10.12 C ATOM 923 OG1 THR A 55 -7.545 7.699 13.722 1.00 55.44 O ATOM 924 CG2 THR A 55 -6.771 5.916 12.286 1.00 64.03 C ATOM 0 H THR A 55 -4.385 7.150 11.329 1.00 33.45 H new ATOM 0 HA THR A 55 -5.137 8.717 13.601 1.00 2.22 H new ATOM 0 HB THR A 55 -6.708 7.998 11.826 1.00 10.12 H new ATOM 0 HG1 THR A 55 -8.444 7.507 13.383 1.00 55.44 H new ATOM 0 HG21 THR A 55 -7.791 5.776 11.928 1.00 64.03 H new ATOM 0 HG22 THR A 55 -6.070 5.672 11.488 1.00 64.03 H new ATOM 0 HG23 THR A 55 -6.592 5.261 13.139 1.00 64.03 H new ATOM 932 N MET A 56 -3.909 5.742 14.185 1.00 73.21 N ATOM 933 CA MET A 56 -3.305 4.891 15.246 1.00 62.41 C ATOM 934 C MET A 56 -2.093 5.591 15.934 1.00 33.44 C ATOM 935 O MET A 56 -1.664 5.177 17.016 1.00 44.12 O ATOM 936 CB MET A 56 -2.870 3.523 14.648 1.00 21.10 C ATOM 937 CG MET A 56 -4.027 2.635 14.173 1.00 52.51 C ATOM 938 SD MET A 56 -3.451 1.039 13.551 1.00 63.30 S ATOM 939 CE MET A 56 -5.003 0.216 13.197 1.00 31.44 C ATOM 0 H MET A 56 -3.608 5.493 13.243 1.00 73.21 H new ATOM 0 HA MET A 56 -4.064 4.727 16.011 1.00 62.41 H new ATOM 0 HB2 MET A 56 -2.201 3.706 13.807 1.00 21.10 H new ATOM 0 HB3 MET A 56 -2.297 2.979 15.399 1.00 21.10 H new ATOM 0 HG2 MET A 56 -4.721 2.473 14.998 1.00 52.51 H new ATOM 0 HG3 MET A 56 -4.580 3.151 13.388 1.00 52.51 H new ATOM 0 HE1 MET A 56 -4.893 -0.401 12.305 1.00 31.44 H new ATOM 0 HE2 MET A 56 -5.282 -0.414 14.042 1.00 31.44 H new ATOM 0 HE3 MET A 56 -5.780 0.962 13.029 1.00 31.44 H new ATOM 949 N GLY A 57 -1.545 6.641 15.282 1.00 13.42 N ATOM 950 CA GLY A 57 -0.462 7.473 15.855 1.00 10.24 C ATOM 951 C GLY A 57 0.954 7.045 15.441 1.00 1.04 C ATOM 952 O GLY A 57 1.941 7.543 15.991 1.00 15.51 O ATOM 0 H GLY A 57 -1.838 6.934 14.350 1.00 13.42 H new ATOM 0 HA2 GLY A 57 -0.618 8.509 15.553 1.00 10.24 H new ATOM 0 HA3 GLY A 57 -0.534 7.443 16.942 1.00 10.24 H new ATOM 956 N PHE A 58 1.054 6.121 14.474 1.00 72.14 N ATOM 957 CA PHE A 58 2.336 5.594 13.966 1.00 41.40 C ATOM 958 C PHE A 58 2.803 6.382 12.714 1.00 13.01 C ATOM 959 O PHE A 58 2.384 6.099 11.586 1.00 60.44 O ATOM 960 CB PHE A 58 2.160 4.084 13.661 1.00 64.40 C ATOM 961 CG PHE A 58 1.853 3.237 14.897 1.00 72.11 C ATOM 962 CD1 PHE A 58 2.793 3.101 15.916 1.00 3.13 C ATOM 963 CD2 PHE A 58 0.617 2.600 15.051 1.00 14.22 C ATOM 964 CE1 PHE A 58 2.509 2.357 17.048 1.00 71.31 C ATOM 965 CE2 PHE A 58 0.333 1.861 16.185 1.00 1.34 C ATOM 966 CZ PHE A 58 1.280 1.737 17.181 1.00 11.44 C ATOM 0 H PHE A 58 0.240 5.712 14.016 1.00 72.14 H new ATOM 0 HA PHE A 58 3.114 5.718 14.719 1.00 41.40 H new ATOM 0 HB2 PHE A 58 1.354 3.960 12.938 1.00 64.40 H new ATOM 0 HB3 PHE A 58 3.070 3.709 13.192 1.00 64.40 H new ATOM 0 HD1 PHE A 58 3.755 3.582 15.822 1.00 3.13 H new ATOM 0 HD2 PHE A 58 -0.127 2.687 14.273 1.00 14.22 H new ATOM 0 HE1 PHE A 58 3.249 2.260 17.829 1.00 71.31 H new ATOM 0 HE2 PHE A 58 -0.629 1.381 16.291 1.00 1.34 H new ATOM 0 HZ PHE A 58 1.061 1.156 18.065 1.00 11.44 H new ATOM 976 N SER A 59 3.663 7.391 12.933 1.00 74.34 N ATOM 977 CA SER A 59 4.213 8.237 11.844 1.00 74.52 C ATOM 978 C SER A 59 5.293 7.490 11.030 1.00 73.20 C ATOM 979 O SER A 59 5.500 7.782 9.853 1.00 11.22 O ATOM 980 CB SER A 59 4.801 9.546 12.421 1.00 43.41 C ATOM 981 OG SER A 59 3.825 10.264 13.170 1.00 64.21 O ATOM 0 H SER A 59 3.999 7.647 13.861 1.00 74.34 H new ATOM 0 HA SER A 59 3.390 8.477 11.171 1.00 74.52 H new ATOM 0 HB2 SER A 59 5.654 9.314 13.059 1.00 43.41 H new ATOM 0 HB3 SER A 59 5.171 10.171 11.608 1.00 43.41 H new ATOM 0 HG SER A 59 4.224 11.086 13.524 1.00 64.21 H new ATOM 987 N SER A 60 5.976 6.530 11.690 1.00 73.23 N ATOM 988 CA SER A 60 7.044 5.695 11.075 1.00 41.11 C ATOM 989 C SER A 60 6.501 4.777 9.952 1.00 1.24 C ATOM 990 O SER A 60 7.123 4.645 8.890 1.00 23.32 O ATOM 991 CB SER A 60 7.734 4.835 12.161 1.00 14.54 C ATOM 992 OG SER A 60 8.754 4.016 11.610 1.00 71.30 O ATOM 0 H SER A 60 5.805 6.307 12.671 1.00 73.23 H new ATOM 0 HA SER A 60 7.765 6.376 10.623 1.00 41.11 H new ATOM 0 HB2 SER A 60 8.162 5.486 12.924 1.00 14.54 H new ATOM 0 HB3 SER A 60 6.992 4.209 12.656 1.00 14.54 H new ATOM 0 HG SER A 60 9.170 3.488 12.323 1.00 71.30 H new ATOM 998 N VAL A 61 5.342 4.137 10.204 1.00 1.40 N ATOM 999 CA VAL A 61 4.672 3.274 9.202 1.00 10.30 C ATOM 1000 C VAL A 61 4.141 4.137 8.030 1.00 41.44 C ATOM 1001 O VAL A 61 4.367 3.817 6.860 1.00 42.51 O ATOM 1002 CB VAL A 61 3.497 2.446 9.838 1.00 41.23 C ATOM 1003 CG1 VAL A 61 2.881 1.452 8.815 1.00 53.15 C ATOM 1004 CG2 VAL A 61 3.945 1.711 11.131 1.00 73.03 C ATOM 0 H VAL A 61 4.847 4.200 11.094 1.00 1.40 H new ATOM 0 HA VAL A 61 5.411 2.565 8.827 1.00 10.30 H new ATOM 0 HB VAL A 61 2.720 3.158 10.118 1.00 41.23 H new ATOM 0 HG11 VAL A 61 2.072 0.897 9.289 1.00 53.15 H new ATOM 0 HG12 VAL A 61 2.490 2.005 7.961 1.00 53.15 H new ATOM 0 HG13 VAL A 61 3.649 0.756 8.476 1.00 53.15 H new ATOM 0 HG21 VAL A 61 3.105 1.150 11.540 1.00 73.03 H new ATOM 0 HG22 VAL A 61 4.759 1.025 10.896 1.00 73.03 H new ATOM 0 HG23 VAL A 61 4.286 2.441 11.865 1.00 73.03 H new ATOM 1014 N ALA A 62 3.476 5.263 8.372 1.00 25.31 N ATOM 1015 CA ALA A 62 2.984 6.258 7.380 1.00 34.34 C ATOM 1016 C ALA A 62 4.120 6.816 6.497 1.00 54.24 C ATOM 1017 O ALA A 62 3.883 7.162 5.348 1.00 12.11 O ATOM 1018 CB ALA A 62 2.265 7.418 8.077 1.00 52.43 C ATOM 0 H ALA A 62 3.264 5.511 9.338 1.00 25.31 H new ATOM 0 HA ALA A 62 2.282 5.729 6.735 1.00 34.34 H new ATOM 0 HB1 ALA A 62 1.915 8.131 7.330 1.00 52.43 H new ATOM 0 HB2 ALA A 62 1.413 7.034 8.638 1.00 52.43 H new ATOM 0 HB3 ALA A 62 2.954 7.916 8.759 1.00 52.43 H new ATOM 1024 N LYS A 63 5.332 6.926 7.072 1.00 43.11 N ATOM 1025 CA LYS A 63 6.548 7.389 6.359 1.00 4.41 C ATOM 1026 C LYS A 63 6.933 6.417 5.207 1.00 25.21 C ATOM 1027 O LYS A 63 7.334 6.853 4.120 1.00 23.51 O ATOM 1028 CB LYS A 63 7.710 7.534 7.381 1.00 42.41 C ATOM 1029 CG LYS A 63 8.984 8.229 6.849 1.00 43.43 C ATOM 1030 CD LYS A 63 10.091 8.344 7.930 1.00 63.12 C ATOM 1031 CE LYS A 63 11.307 9.181 7.478 1.00 65.45 C ATOM 1032 NZ LYS A 63 11.995 8.595 6.300 1.00 23.15 N ATOM 0 H LYS A 63 5.501 6.696 8.051 1.00 43.11 H new ATOM 0 HA LYS A 63 6.346 8.358 5.902 1.00 4.41 H new ATOM 0 HB2 LYS A 63 7.345 8.094 8.242 1.00 42.41 H new ATOM 0 HB3 LYS A 63 7.982 6.541 7.738 1.00 42.41 H new ATOM 0 HG2 LYS A 63 9.370 7.671 5.996 1.00 43.43 H new ATOM 0 HG3 LYS A 63 8.727 9.225 6.488 1.00 43.43 H new ATOM 0 HD2 LYS A 63 9.666 8.791 8.828 1.00 63.12 H new ATOM 0 HD3 LYS A 63 10.429 7.344 8.201 1.00 63.12 H new ATOM 0 HE2 LYS A 63 10.979 10.192 7.237 1.00 65.45 H new ATOM 0 HE3 LYS A 63 12.014 9.264 8.303 1.00 65.45 H new ATOM 0 HZ1 LYS A 63 12.803 9.194 6.037 1.00 23.15 H new ATOM 0 HZ2 LYS A 63 12.334 7.640 6.535 1.00 23.15 H new ATOM 0 HZ3 LYS A 63 11.331 8.540 5.502 1.00 23.15 H new ATOM 1046 N VAL A 64 6.781 5.099 5.462 1.00 52.43 N ATOM 1047 CA VAL A 64 7.017 4.041 4.445 1.00 4.14 C ATOM 1048 C VAL A 64 5.954 4.109 3.318 1.00 14.14 C ATOM 1049 O VAL A 64 6.287 4.088 2.135 1.00 51.45 O ATOM 1050 CB VAL A 64 7.010 2.601 5.089 1.00 22.44 C ATOM 1051 CG1 VAL A 64 7.289 1.493 4.034 1.00 54.53 C ATOM 1052 CG2 VAL A 64 8.014 2.509 6.267 1.00 21.01 C ATOM 0 H VAL A 64 6.493 4.736 6.371 1.00 52.43 H new ATOM 0 HA VAL A 64 8.004 4.224 4.020 1.00 4.14 H new ATOM 0 HB VAL A 64 6.008 2.431 5.483 1.00 22.44 H new ATOM 0 HG11 VAL A 64 7.275 0.517 4.519 1.00 54.53 H new ATOM 0 HG12 VAL A 64 6.521 1.525 3.261 1.00 54.53 H new ATOM 0 HG13 VAL A 64 8.266 1.660 3.581 1.00 54.53 H new ATOM 0 HG21 VAL A 64 7.987 1.505 6.691 1.00 21.01 H new ATOM 0 HG22 VAL A 64 9.020 2.723 5.905 1.00 21.01 H new ATOM 0 HG23 VAL A 64 7.742 3.234 7.034 1.00 21.01 H new ATOM 1062 N LEU A 65 4.675 4.210 3.705 1.00 44.15 N ATOM 1063 CA LEU A 65 3.544 4.311 2.744 1.00 32.31 C ATOM 1064 C LEU A 65 3.578 5.650 1.970 1.00 75.44 C ATOM 1065 O LEU A 65 3.127 5.719 0.829 1.00 14.54 O ATOM 1066 CB LEU A 65 2.174 4.109 3.468 1.00 63.41 C ATOM 1067 CG LEU A 65 1.798 2.634 3.852 1.00 60.23 C ATOM 1068 CD1 LEU A 65 1.647 1.741 2.600 1.00 20.24 C ATOM 1069 CD2 LEU A 65 2.809 2.028 4.839 1.00 44.21 C ATOM 0 H LEU A 65 4.386 4.225 4.683 1.00 44.15 H new ATOM 0 HA LEU A 65 3.657 3.510 2.014 1.00 32.31 H new ATOM 0 HB2 LEU A 65 2.177 4.709 4.378 1.00 63.41 H new ATOM 0 HB3 LEU A 65 1.387 4.506 2.827 1.00 63.41 H new ATOM 0 HG LEU A 65 0.830 2.673 4.352 1.00 60.23 H new ATOM 0 HD11 LEU A 65 1.387 0.728 2.905 1.00 20.24 H new ATOM 0 HD12 LEU A 65 0.860 2.141 1.961 1.00 20.24 H new ATOM 0 HD13 LEU A 65 2.588 1.724 2.050 1.00 20.24 H new ATOM 0 HD21 LEU A 65 2.514 1.007 5.081 1.00 44.21 H new ATOM 0 HD22 LEU A 65 3.801 2.022 4.386 1.00 44.21 H new ATOM 0 HD23 LEU A 65 2.830 2.625 5.751 1.00 44.21 H new ATOM 1081 N HIS A 66 4.147 6.695 2.600 1.00 24.43 N ATOM 1082 CA HIS A 66 4.313 8.039 1.993 1.00 20.22 C ATOM 1083 C HIS A 66 5.297 7.989 0.796 1.00 71.15 C ATOM 1084 O HIS A 66 5.180 8.790 -0.145 1.00 13.22 O ATOM 1085 CB HIS A 66 4.787 9.049 3.070 1.00 14.11 C ATOM 1086 CG HIS A 66 4.813 10.492 2.632 1.00 51.10 C ATOM 1087 ND1 HIS A 66 5.922 11.107 2.089 1.00 42.54 N ATOM 1088 CD2 HIS A 66 3.854 11.441 2.672 1.00 21.20 C ATOM 1089 CE1 HIS A 66 5.645 12.366 1.830 1.00 20.22 C ATOM 1090 NE2 HIS A 66 4.399 12.594 2.173 1.00 11.11 N ATOM 0 H HIS A 66 4.509 6.635 3.552 1.00 24.43 H new ATOM 0 HA HIS A 66 3.349 8.372 1.608 1.00 20.22 H new ATOM 0 HB2 HIS A 66 4.135 8.962 3.939 1.00 14.11 H new ATOM 0 HB3 HIS A 66 5.789 8.766 3.394 1.00 14.11 H new ATOM 0 HD2 HIS A 66 2.843 11.314 3.031 1.00 21.20 H new ATOM 0 HE1 HIS A 66 6.327 13.089 1.407 1.00 20.22 H new ATOM 0 HE2 HIS A 66 3.914 13.487 2.082 1.00 11.11 H new ATOM 1099 N THR A 67 6.266 7.041 0.835 1.00 42.03 N ATOM 1100 CA THR A 67 7.210 6.840 -0.301 1.00 0.00 C ATOM 1101 C THR A 67 6.487 6.172 -1.482 1.00 11.22 C ATOM 1102 O THR A 67 6.739 6.502 -2.639 1.00 21.42 O ATOM 1103 CB THR A 67 8.465 5.965 0.056 1.00 24.43 C ATOM 1104 OG1 THR A 67 8.104 4.582 0.190 1.00 25.01 O ATOM 1105 CG2 THR A 67 9.136 6.416 1.350 1.00 54.25 C ATOM 0 H THR A 67 6.416 6.412 1.624 1.00 42.03 H new ATOM 0 HA THR A 67 7.565 7.838 -0.559 1.00 0.00 H new ATOM 0 HB THR A 67 9.168 6.093 -0.767 1.00 24.43 H new ATOM 0 HG1 THR A 67 7.447 4.484 0.911 1.00 25.01 H new ATOM 0 HG21 THR A 67 9.998 5.780 1.554 1.00 54.25 H new ATOM 0 HG22 THR A 67 9.464 7.451 1.248 1.00 54.25 H new ATOM 0 HG23 THR A 67 8.426 6.340 2.174 1.00 54.25 H new ATOM 1113 N ILE A 68 5.579 5.232 -1.154 1.00 64.43 N ATOM 1114 CA ILE A 68 4.791 4.472 -2.152 1.00 52.45 C ATOM 1115 C ILE A 68 3.793 5.408 -2.871 1.00 51.54 C ATOM 1116 O ILE A 68 3.525 5.252 -4.063 1.00 34.41 O ATOM 1117 CB ILE A 68 4.020 3.269 -1.482 1.00 43.54 C ATOM 1118 CG1 ILE A 68 4.941 2.478 -0.491 1.00 3.04 C ATOM 1119 CG2 ILE A 68 3.410 2.321 -2.545 1.00 30.34 C ATOM 1120 CD1 ILE A 68 6.276 2.028 -1.062 1.00 43.11 C ATOM 0 H ILE A 68 5.369 4.976 -0.189 1.00 64.43 H new ATOM 0 HA ILE A 68 5.487 4.060 -2.883 1.00 52.45 H new ATOM 0 HB ILE A 68 3.198 3.695 -0.906 1.00 43.54 H new ATOM 0 HG12 ILE A 68 5.130 3.104 0.381 1.00 3.04 H new ATOM 0 HG13 ILE A 68 4.400 1.599 -0.141 1.00 3.04 H new ATOM 0 HG21 ILE A 68 2.887 1.505 -2.047 1.00 30.34 H new ATOM 0 HG22 ILE A 68 2.708 2.876 -3.167 1.00 30.34 H new ATOM 0 HG23 ILE A 68 4.206 1.915 -3.170 1.00 30.34 H new ATOM 0 HD11 ILE A 68 6.836 1.491 -0.297 1.00 43.11 H new ATOM 0 HD12 ILE A 68 6.104 1.371 -1.915 1.00 43.11 H new ATOM 0 HD13 ILE A 68 6.846 2.899 -1.384 1.00 43.11 H new ATOM 1132 N MET A 69 3.268 6.392 -2.114 1.00 24.41 N ATOM 1133 CA MET A 69 2.455 7.495 -2.666 1.00 60.23 C ATOM 1134 C MET A 69 3.249 8.260 -3.752 1.00 33.54 C ATOM 1135 O MET A 69 2.813 8.365 -4.888 1.00 43.11 O ATOM 1136 CB MET A 69 2.046 8.478 -1.535 1.00 33.54 C ATOM 1137 CG MET A 69 1.161 7.870 -0.444 1.00 52.13 C ATOM 1138 SD MET A 69 -0.556 7.658 -0.951 1.00 32.22 S ATOM 1139 CE MET A 69 -1.086 9.364 -1.102 1.00 33.13 C ATOM 0 H MET A 69 3.395 6.445 -1.103 1.00 24.41 H new ATOM 0 HA MET A 69 1.558 7.068 -3.115 1.00 60.23 H new ATOM 0 HB2 MET A 69 2.950 8.873 -1.072 1.00 33.54 H new ATOM 0 HB3 MET A 69 1.521 9.323 -1.980 1.00 33.54 H new ATOM 0 HG2 MET A 69 1.569 6.902 -0.154 1.00 52.13 H new ATOM 0 HG3 MET A 69 1.195 8.508 0.439 1.00 52.13 H new ATOM 0 HE1 MET A 69 -2.160 9.396 -1.288 1.00 33.13 H new ATOM 0 HE2 MET A 69 -0.861 9.898 -0.179 1.00 33.13 H new ATOM 0 HE3 MET A 69 -0.560 9.836 -1.931 1.00 33.13 H new ATOM 1149 N ASN A 70 4.456 8.714 -3.383 1.00 41.44 N ATOM 1150 CA ASN A 70 5.357 9.486 -4.276 1.00 4.35 C ATOM 1151 C ASN A 70 5.796 8.659 -5.522 1.00 14.14 C ATOM 1152 O ASN A 70 5.933 9.194 -6.629 1.00 74.33 O ATOM 1153 CB ASN A 70 6.594 9.925 -3.455 1.00 60.22 C ATOM 1154 CG ASN A 70 7.530 10.870 -4.217 1.00 11.41 C ATOM 1155 OD1 ASN A 70 8.500 10.445 -4.842 1.00 71.15 O ATOM 1156 ND2 ASN A 70 7.235 12.156 -4.190 1.00 3.23 N ATOM 0 H ASN A 70 4.844 8.559 -2.453 1.00 41.44 H new ATOM 0 HA ASN A 70 4.819 10.356 -4.653 1.00 4.35 H new ATOM 0 HB2 ASN A 70 6.258 10.417 -2.542 1.00 60.22 H new ATOM 0 HB3 ASN A 70 7.153 9.039 -3.153 1.00 60.22 H new ATOM 0 HD21 ASN A 70 7.817 12.824 -4.695 1.00 3.23 H new ATOM 0 HD22 ASN A 70 6.424 12.482 -3.664 1.00 3.23 H new ATOM 1163 N LEU A 71 5.987 7.352 -5.303 1.00 12.31 N ATOM 1164 CA LEU A 71 6.497 6.404 -6.314 1.00 45.02 C ATOM 1165 C LEU A 71 5.432 6.155 -7.417 1.00 34.34 C ATOM 1166 O LEU A 71 5.670 6.397 -8.610 1.00 11.50 O ATOM 1167 CB LEU A 71 6.893 5.082 -5.570 1.00 63.40 C ATOM 1168 CG LEU A 71 7.905 4.113 -6.269 1.00 64.12 C ATOM 1169 CD1 LEU A 71 8.381 3.018 -5.283 1.00 73.34 C ATOM 1170 CD2 LEU A 71 7.322 3.462 -7.546 1.00 42.52 C ATOM 0 H LEU A 71 5.790 6.911 -4.404 1.00 12.31 H new ATOM 0 HA LEU A 71 7.373 6.811 -6.819 1.00 45.02 H new ATOM 0 HB2 LEU A 71 7.311 5.358 -4.602 1.00 63.40 H new ATOM 0 HB3 LEU A 71 5.978 4.523 -5.375 1.00 63.40 H new ATOM 0 HG LEU A 71 8.757 4.719 -6.576 1.00 64.12 H new ATOM 0 HD11 LEU A 71 9.084 2.355 -5.787 1.00 73.34 H new ATOM 0 HD12 LEU A 71 8.872 3.485 -4.430 1.00 73.34 H new ATOM 0 HD13 LEU A 71 7.523 2.442 -4.937 1.00 73.34 H new ATOM 0 HD21 LEU A 71 8.066 2.800 -7.989 1.00 42.52 H new ATOM 0 HD22 LEU A 71 6.433 2.887 -7.288 1.00 42.52 H new ATOM 0 HD23 LEU A 71 7.056 4.240 -8.262 1.00 42.52 H new ATOM 1182 N VAL A 72 4.268 5.670 -6.983 1.00 1.40 N ATOM 1183 CA VAL A 72 3.141 5.316 -7.866 1.00 44.34 C ATOM 1184 C VAL A 72 2.510 6.563 -8.556 1.00 14.32 C ATOM 1185 O VAL A 72 2.092 6.493 -9.719 1.00 61.21 O ATOM 1186 CB VAL A 72 2.062 4.516 -7.056 1.00 73.12 C ATOM 1187 CG1 VAL A 72 0.863 4.157 -7.944 1.00 33.14 C ATOM 1188 CG2 VAL A 72 2.679 3.238 -6.419 1.00 23.41 C ATOM 0 H VAL A 72 4.072 5.507 -5.995 1.00 1.40 H new ATOM 0 HA VAL A 72 3.532 4.686 -8.665 1.00 44.34 H new ATOM 0 HB VAL A 72 1.705 5.157 -6.250 1.00 73.12 H new ATOM 0 HG11 VAL A 72 0.130 3.603 -7.358 1.00 33.14 H new ATOM 0 HG12 VAL A 72 0.407 5.070 -8.326 1.00 33.14 H new ATOM 0 HG13 VAL A 72 1.200 3.543 -8.779 1.00 33.14 H new ATOM 0 HG21 VAL A 72 1.910 2.701 -5.863 1.00 23.41 H new ATOM 0 HG22 VAL A 72 3.075 2.594 -7.205 1.00 23.41 H new ATOM 0 HG23 VAL A 72 3.485 3.522 -5.742 1.00 23.41 H new ATOM 1198 N ASP A 73 2.462 7.699 -7.830 1.00 12.43 N ATOM 1199 CA ASP A 73 2.009 9.002 -8.387 1.00 4.55 C ATOM 1200 C ASP A 73 2.891 9.429 -9.591 1.00 63.55 C ATOM 1201 O ASP A 73 2.393 9.974 -10.583 1.00 34.32 O ATOM 1202 CB ASP A 73 2.046 10.083 -7.279 1.00 22.13 C ATOM 1203 CG ASP A 73 1.508 11.448 -7.728 1.00 72.03 C ATOM 1204 OD1 ASP A 73 0.272 11.590 -7.875 1.00 0.30 O ATOM 1205 OD2 ASP A 73 2.312 12.380 -7.952 1.00 20.22 O ATOM 0 H ASP A 73 2.733 7.745 -6.848 1.00 12.43 H new ATOM 0 HA ASP A 73 0.986 8.891 -8.746 1.00 4.55 H new ATOM 0 HB2 ASP A 73 1.463 9.736 -6.426 1.00 22.13 H new ATOM 0 HB3 ASP A 73 3.073 10.203 -6.935 1.00 22.13 H new ATOM 1210 N LYS A 74 4.206 9.142 -9.486 1.00 42.23 N ATOM 1211 CA LYS A 74 5.192 9.422 -10.554 1.00 13.34 C ATOM 1212 C LYS A 74 5.002 8.477 -11.768 1.00 73.22 C ATOM 1213 O LYS A 74 5.247 8.876 -12.900 1.00 61.34 O ATOM 1214 CB LYS A 74 6.659 9.359 -9.991 1.00 44.11 C ATOM 1215 CG LYS A 74 7.378 10.731 -9.885 1.00 51.52 C ATOM 1216 CD LYS A 74 6.576 11.786 -9.077 1.00 4.32 C ATOM 1217 CE LYS A 74 7.321 13.131 -8.959 1.00 1.41 C ATOM 1218 NZ LYS A 74 7.647 13.722 -10.288 1.00 51.11 N ATOM 0 H LYS A 74 4.615 8.709 -8.658 1.00 42.23 H new ATOM 0 HA LYS A 74 5.018 10.437 -10.912 1.00 13.34 H new ATOM 0 HB2 LYS A 74 6.634 8.901 -9.002 1.00 44.11 H new ATOM 0 HB3 LYS A 74 7.250 8.704 -10.631 1.00 44.11 H new ATOM 0 HG2 LYS A 74 8.351 10.588 -9.416 1.00 51.52 H new ATOM 0 HG3 LYS A 74 7.562 11.115 -10.888 1.00 51.52 H new ATOM 0 HD2 LYS A 74 5.611 11.950 -9.557 1.00 4.32 H new ATOM 0 HD3 LYS A 74 6.374 11.398 -8.079 1.00 4.32 H new ATOM 0 HE2 LYS A 74 6.709 13.833 -8.393 1.00 1.41 H new ATOM 0 HE3 LYS A 74 8.242 12.984 -8.395 1.00 1.41 H new ATOM 0 HZ1 LYS A 74 8.023 14.683 -10.158 1.00 51.11 H new ATOM 0 HZ2 LYS A 74 8.359 13.133 -10.765 1.00 51.11 H new ATOM 0 HZ3 LYS A 74 6.786 13.763 -10.870 1.00 51.11 H new ATOM 1232 N MET A 75 4.557 7.236 -11.526 1.00 41.24 N ATOM 1233 CA MET A 75 4.259 6.267 -12.611 1.00 3.02 C ATOM 1234 C MET A 75 3.169 6.801 -13.582 1.00 13.43 C ATOM 1235 O MET A 75 3.283 6.631 -14.800 1.00 63.42 O ATOM 1236 CB MET A 75 3.829 4.913 -12.001 1.00 13.23 C ATOM 1237 CG MET A 75 4.949 4.163 -11.276 1.00 65.24 C ATOM 1238 SD MET A 75 4.332 2.678 -10.465 1.00 23.40 S ATOM 1239 CE MET A 75 5.809 1.681 -10.342 1.00 20.32 C ATOM 0 H MET A 75 4.392 6.871 -10.588 1.00 41.24 H new ATOM 0 HA MET A 75 5.168 6.126 -13.195 1.00 3.02 H new ATOM 0 HB2 MET A 75 3.012 5.087 -11.301 1.00 13.23 H new ATOM 0 HB3 MET A 75 3.438 4.278 -12.796 1.00 13.23 H new ATOM 0 HG2 MET A 75 5.728 3.892 -11.989 1.00 65.24 H new ATOM 0 HG3 MET A 75 5.408 4.819 -10.536 1.00 65.24 H new ATOM 0 HE1 MET A 75 5.689 0.778 -10.940 1.00 20.32 H new ATOM 0 HE2 MET A 75 6.663 2.249 -10.710 1.00 20.32 H new ATOM 0 HE3 MET A 75 5.977 1.406 -9.301 1.00 20.32 H new ATOM 1249 N LEU A 76 2.134 7.452 -13.012 1.00 44.13 N ATOM 1250 CA LEU A 76 0.996 8.044 -13.776 1.00 15.43 C ATOM 1251 C LEU A 76 1.434 9.072 -14.859 1.00 70.22 C ATOM 1252 O LEU A 76 0.818 9.143 -15.932 1.00 40.51 O ATOM 1253 CB LEU A 76 -0.031 8.695 -12.792 1.00 21.11 C ATOM 1254 CG LEU A 76 -1.188 7.761 -12.285 1.00 53.21 C ATOM 1255 CD1 LEU A 76 -0.656 6.532 -11.508 1.00 64.22 C ATOM 1256 CD2 LEU A 76 -2.211 8.554 -11.441 1.00 61.25 C ATOM 0 H LEU A 76 2.056 7.587 -12.004 1.00 44.13 H new ATOM 0 HA LEU A 76 0.527 7.220 -14.315 1.00 15.43 H new ATOM 0 HB2 LEU A 76 0.514 9.068 -11.925 1.00 21.11 H new ATOM 0 HB3 LEU A 76 -0.478 9.559 -13.284 1.00 21.11 H new ATOM 0 HG LEU A 76 -1.698 7.378 -13.169 1.00 53.21 H new ATOM 0 HD11 LEU A 76 -1.495 5.918 -11.179 1.00 64.22 H new ATOM 0 HD12 LEU A 76 -0.008 5.943 -12.158 1.00 64.22 H new ATOM 0 HD13 LEU A 76 -0.090 6.868 -10.639 1.00 64.22 H new ATOM 0 HD21 LEU A 76 -3.001 7.884 -11.103 1.00 61.25 H new ATOM 0 HD22 LEU A 76 -1.710 8.990 -10.577 1.00 61.25 H new ATOM 0 HD23 LEU A 76 -2.645 9.349 -12.048 1.00 61.25 H new ATOM 1268 N ASN A 77 2.469 9.875 -14.563 1.00 41.41 N ATOM 1269 CA ASN A 77 2.971 10.915 -15.498 1.00 54.51 C ATOM 1270 C ASN A 77 4.018 10.352 -16.495 1.00 60.32 C ATOM 1271 O ASN A 77 4.894 9.566 -16.130 1.00 23.50 O ATOM 1272 CB ASN A 77 3.522 12.171 -14.743 1.00 74.31 C ATOM 1273 CG ASN A 77 4.138 11.885 -13.376 1.00 1.03 C ATOM 1274 OD1 ASN A 77 3.470 11.949 -12.354 1.00 60.30 O ATOM 1275 ND2 ASN A 77 5.392 11.513 -13.348 1.00 14.13 N ATOM 0 H ASN A 77 2.981 9.829 -13.682 1.00 41.41 H new ATOM 0 HA ASN A 77 2.111 11.240 -16.083 1.00 54.51 H new ATOM 0 HB2 ASN A 77 4.273 12.652 -15.370 1.00 74.31 H new ATOM 0 HB3 ASN A 77 2.708 12.885 -14.616 1.00 74.31 H new ATOM 0 HD21 ASN A 77 5.832 11.269 -12.461 1.00 14.13 H new ATOM 0 HD22 ASN A 77 5.930 11.467 -14.214 1.00 14.13 H new ATOM 1282 N SER A 78 3.931 10.852 -17.750 1.00 10.32 N ATOM 1283 CA SER A 78 4.736 10.384 -18.911 1.00 63.32 C ATOM 1284 C SER A 78 6.229 10.786 -18.829 1.00 14.30 C ATOM 1285 O SER A 78 7.027 10.372 -19.673 1.00 4.32 O ATOM 1286 CB SER A 78 4.108 10.934 -20.218 1.00 52.15 C ATOM 1287 OG SER A 78 2.769 10.487 -20.386 1.00 42.53 O ATOM 0 H SER A 78 3.288 11.606 -17.992 1.00 10.32 H new ATOM 0 HA SER A 78 4.714 9.294 -18.900 1.00 63.32 H new ATOM 0 HB2 SER A 78 4.129 12.024 -20.201 1.00 52.15 H new ATOM 0 HB3 SER A 78 4.707 10.617 -21.071 1.00 52.15 H new ATOM 0 HG SER A 78 2.404 10.854 -21.218 1.00 42.53 H new ATOM 1293 N GLU A 79 6.604 11.596 -17.816 1.00 31.00 N ATOM 1294 CA GLU A 79 8.021 11.953 -17.555 1.00 21.13 C ATOM 1295 C GLU A 79 8.801 10.740 -16.963 1.00 55.10 C ATOM 1296 O GLU A 79 10.034 10.731 -16.915 1.00 2.15 O ATOM 1297 CB GLU A 79 8.095 13.170 -16.583 1.00 62.32 C ATOM 1298 CG GLU A 79 7.616 12.868 -15.151 1.00 1.20 C ATOM 1299 CD GLU A 79 7.748 14.030 -14.157 1.00 12.21 C ATOM 1300 OE1 GLU A 79 7.194 15.118 -14.423 1.00 13.01 O ATOM 1301 OE2 GLU A 79 8.369 13.846 -13.082 1.00 20.54 O ATOM 0 H GLU A 79 5.945 12.018 -17.162 1.00 31.00 H new ATOM 0 HA GLU A 79 8.487 12.226 -18.502 1.00 21.13 H new ATOM 0 HB2 GLU A 79 9.125 13.525 -16.542 1.00 62.32 H new ATOM 0 HB3 GLU A 79 7.494 13.983 -16.991 1.00 62.32 H new ATOM 0 HG2 GLU A 79 6.570 12.563 -15.192 1.00 1.20 H new ATOM 0 HG3 GLU A 79 8.181 12.018 -14.768 1.00 1.20 H new ATOM 1308 N ILE A 80 8.032 9.733 -16.490 1.00 53.40 N ATOM 1309 CA ILE A 80 8.533 8.491 -15.863 1.00 25.52 C ATOM 1310 C ILE A 80 8.050 7.260 -16.670 1.00 61.02 C ATOM 1311 O ILE A 80 6.920 7.241 -17.174 1.00 50.44 O ATOM 1312 CB ILE A 80 7.987 8.392 -14.386 1.00 1.14 C ATOM 1313 CG1 ILE A 80 8.369 9.668 -13.562 1.00 71.42 C ATOM 1314 CG2 ILE A 80 8.446 7.095 -13.664 1.00 63.23 C ATOM 1315 CD1 ILE A 80 9.827 9.761 -13.128 1.00 51.00 C ATOM 0 H ILE A 80 7.014 9.765 -16.536 1.00 53.40 H new ATOM 0 HA ILE A 80 9.623 8.510 -15.853 1.00 25.52 H new ATOM 0 HB ILE A 80 6.900 8.340 -14.453 1.00 1.14 H new ATOM 0 HG12 ILE A 80 8.129 10.548 -14.158 1.00 71.42 H new ATOM 0 HG13 ILE A 80 7.741 9.705 -12.672 1.00 71.42 H new ATOM 0 HG21 ILE A 80 8.042 7.079 -12.652 1.00 63.23 H new ATOM 0 HG22 ILE A 80 8.084 6.226 -14.213 1.00 63.23 H new ATOM 0 HG23 ILE A 80 9.535 7.069 -13.620 1.00 63.23 H new ATOM 0 HD11 ILE A 80 9.981 10.682 -12.565 1.00 51.00 H new ATOM 0 HD12 ILE A 80 10.075 8.906 -12.499 1.00 51.00 H new ATOM 0 HD13 ILE A 80 10.469 9.762 -14.009 1.00 51.00 H new ATOM 1327 N LYS A 81 8.919 6.245 -16.802 1.00 14.52 N ATOM 1328 CA LYS A 81 8.561 4.944 -17.398 1.00 20.02 C ATOM 1329 C LYS A 81 8.478 3.867 -16.292 1.00 71.21 C ATOM 1330 O LYS A 81 9.354 3.788 -15.418 1.00 14.21 O ATOM 1331 CB LYS A 81 9.586 4.556 -18.492 1.00 3.23 C ATOM 1332 CG LYS A 81 9.286 3.220 -19.211 1.00 70.11 C ATOM 1333 CD LYS A 81 10.227 2.955 -20.414 1.00 51.11 C ATOM 1334 CE LYS A 81 10.047 3.981 -21.555 1.00 24.12 C ATOM 1335 NZ LYS A 81 10.970 3.724 -22.690 1.00 44.35 N ATOM 0 H LYS A 81 9.891 6.302 -16.499 1.00 14.52 H new ATOM 0 HA LYS A 81 7.583 5.019 -17.873 1.00 20.02 H new ATOM 0 HB2 LYS A 81 9.624 5.353 -19.235 1.00 3.23 H new ATOM 0 HB3 LYS A 81 10.576 4.495 -18.039 1.00 3.23 H new ATOM 0 HG2 LYS A 81 9.378 2.401 -18.498 1.00 70.11 H new ATOM 0 HG3 LYS A 81 8.253 3.225 -19.559 1.00 70.11 H new ATOM 0 HD2 LYS A 81 11.262 2.978 -20.072 1.00 51.11 H new ATOM 0 HD3 LYS A 81 10.041 1.953 -20.800 1.00 51.11 H new ATOM 0 HE2 LYS A 81 9.017 3.949 -21.911 1.00 24.12 H new ATOM 0 HE3 LYS A 81 10.219 4.986 -21.169 1.00 24.12 H new ATOM 0 HZ1 LYS A 81 10.814 4.436 -23.432 1.00 44.35 H new ATOM 0 HZ2 LYS A 81 11.954 3.780 -22.357 1.00 44.35 H new ATOM 0 HZ3 LYS A 81 10.789 2.776 -23.077 1.00 44.35 H new ATOM 1349 N ILE A 82 7.417 3.041 -16.341 1.00 10.10 N ATOM 1350 CA ILE A 82 7.129 2.041 -15.306 1.00 62.32 C ATOM 1351 C ILE A 82 8.022 0.814 -15.520 1.00 25.42 C ATOM 1352 O ILE A 82 7.754 -0.033 -16.383 1.00 24.12 O ATOM 1353 CB ILE A 82 5.605 1.615 -15.262 1.00 53.22 C ATOM 1354 CG1 ILE A 82 4.658 2.855 -15.090 1.00 33.15 C ATOM 1355 CG2 ILE A 82 5.353 0.580 -14.133 1.00 14.23 C ATOM 1356 CD1 ILE A 82 4.380 3.645 -16.363 1.00 13.32 C ATOM 0 H ILE A 82 6.737 3.051 -17.101 1.00 10.10 H new ATOM 0 HA ILE A 82 7.346 2.500 -14.341 1.00 62.32 H new ATOM 0 HB ILE A 82 5.372 1.151 -16.220 1.00 53.22 H new ATOM 0 HG12 ILE A 82 3.708 2.512 -14.681 1.00 33.15 H new ATOM 0 HG13 ILE A 82 5.098 3.528 -14.354 1.00 33.15 H new ATOM 0 HG21 ILE A 82 4.299 0.302 -14.122 1.00 14.23 H new ATOM 0 HG22 ILE A 82 5.960 -0.308 -14.311 1.00 14.23 H new ATOM 0 HG23 ILE A 82 5.623 1.017 -13.172 1.00 14.23 H new ATOM 0 HD11 ILE A 82 3.716 4.479 -16.136 1.00 13.32 H new ATOM 0 HD12 ILE A 82 5.318 4.027 -16.767 1.00 13.32 H new ATOM 0 HD13 ILE A 82 3.906 2.995 -17.099 1.00 13.32 H new ATOM 1368 N THR A 83 9.124 0.777 -14.764 1.00 32.22 N ATOM 1369 CA THR A 83 10.102 -0.313 -14.826 1.00 21.43 C ATOM 1370 C THR A 83 9.569 -1.580 -14.112 1.00 74.52 C ATOM 1371 O THR A 83 9.000 -1.480 -13.021 1.00 35.11 O ATOM 1372 CB THR A 83 11.459 0.140 -14.194 1.00 1.03 C ATOM 1373 OG1 THR A 83 11.954 1.305 -14.878 1.00 30.44 O ATOM 1374 CG2 THR A 83 12.528 -0.958 -14.234 1.00 4.02 C ATOM 0 H THR A 83 9.363 1.504 -14.090 1.00 32.22 H new ATOM 0 HA THR A 83 10.268 -0.562 -15.874 1.00 21.43 H new ATOM 0 HB THR A 83 11.258 0.367 -13.147 1.00 1.03 H new ATOM 0 HG1 THR A 83 12.803 1.584 -14.476 1.00 30.44 H new ATOM 0 HG21 THR A 83 13.448 -0.587 -13.782 1.00 4.02 H new ATOM 0 HG22 THR A 83 12.177 -1.828 -13.680 1.00 4.02 H new ATOM 0 HG23 THR A 83 12.721 -1.241 -15.269 1.00 4.02 H new ATOM 1382 N SER A 84 9.767 -2.760 -14.735 1.00 24.11 N ATOM 1383 CA SER A 84 9.238 -4.055 -14.221 1.00 42.35 C ATOM 1384 C SER A 84 9.768 -4.400 -12.804 1.00 44.03 C ATOM 1385 O SER A 84 9.003 -4.843 -11.940 1.00 73.22 O ATOM 1386 CB SER A 84 9.561 -5.198 -15.205 1.00 61.34 C ATOM 1387 OG SER A 84 9.018 -6.438 -14.776 1.00 71.33 O ATOM 0 H SER A 84 10.294 -2.850 -15.604 1.00 24.11 H new ATOM 0 HA SER A 84 8.157 -3.942 -14.138 1.00 42.35 H new ATOM 0 HB2 SER A 84 9.166 -4.951 -16.190 1.00 61.34 H new ATOM 0 HB3 SER A 84 10.642 -5.292 -15.309 1.00 61.34 H new ATOM 0 HG SER A 84 9.243 -7.136 -15.426 1.00 71.33 H new ATOM 1393 N ASP A 85 11.080 -4.188 -12.573 1.00 70.22 N ATOM 1394 CA ASP A 85 11.704 -4.409 -11.245 1.00 72.31 C ATOM 1395 C ASP A 85 11.396 -3.271 -10.231 1.00 63.32 C ATOM 1396 O ASP A 85 11.586 -3.443 -9.022 1.00 2.05 O ATOM 1397 CB ASP A 85 13.220 -4.675 -11.366 1.00 61.30 C ATOM 1398 CG ASP A 85 13.985 -3.574 -12.104 1.00 21.44 C ATOM 1399 OD1 ASP A 85 14.454 -2.612 -11.455 1.00 65.44 O ATOM 1400 OD2 ASP A 85 14.120 -3.664 -13.340 1.00 64.13 O ATOM 0 H ASP A 85 11.731 -3.864 -13.288 1.00 70.22 H new ATOM 0 HA ASP A 85 11.243 -5.308 -10.837 1.00 72.31 H new ATOM 0 HB2 ASP A 85 13.640 -4.789 -10.367 1.00 61.30 H new ATOM 0 HB3 ASP A 85 13.373 -5.621 -11.885 1.00 61.30 H new ATOM 1405 N LEU A 86 10.958 -2.101 -10.728 1.00 25.52 N ATOM 1406 CA LEU A 86 10.471 -0.993 -9.860 1.00 12.41 C ATOM 1407 C LEU A 86 9.110 -1.355 -9.208 1.00 43.43 C ATOM 1408 O LEU A 86 8.816 -0.946 -8.080 1.00 43.25 O ATOM 1409 CB LEU A 86 10.331 0.315 -10.668 1.00 1.03 C ATOM 1410 CG LEU A 86 9.968 1.580 -9.828 1.00 74.25 C ATOM 1411 CD1 LEU A 86 11.156 2.050 -8.956 1.00 21.23 C ATOM 1412 CD2 LEU A 86 9.430 2.715 -10.728 1.00 73.15 C ATOM 0 H LEU A 86 10.928 -1.890 -11.725 1.00 25.52 H new ATOM 0 HA LEU A 86 11.208 -0.844 -9.071 1.00 12.41 H new ATOM 0 HB2 LEU A 86 11.269 0.503 -11.191 1.00 1.03 H new ATOM 0 HB3 LEU A 86 9.565 0.172 -11.430 1.00 1.03 H new ATOM 0 HG LEU A 86 9.167 1.300 -9.144 1.00 74.25 H new ATOM 0 HD11 LEU A 86 10.863 2.932 -8.387 1.00 21.23 H new ATOM 0 HD12 LEU A 86 11.441 1.253 -8.269 1.00 21.23 H new ATOM 0 HD13 LEU A 86 12.003 2.296 -9.597 1.00 21.23 H new ATOM 0 HD21 LEU A 86 9.186 3.582 -10.114 1.00 73.15 H new ATOM 0 HD22 LEU A 86 10.190 2.991 -11.459 1.00 73.15 H new ATOM 0 HD23 LEU A 86 8.534 2.374 -11.247 1.00 73.15 H new ATOM 1424 N ILE A 87 8.285 -2.112 -9.956 1.00 64.03 N ATOM 1425 CA ILE A 87 7.013 -2.686 -9.451 1.00 13.51 C ATOM 1426 C ILE A 87 7.288 -3.603 -8.221 1.00 32.13 C ATOM 1427 O ILE A 87 6.500 -3.651 -7.266 1.00 50.32 O ATOM 1428 CB ILE A 87 6.297 -3.512 -10.592 1.00 60.13 C ATOM 1429 CG1 ILE A 87 6.124 -2.648 -11.888 1.00 42.31 C ATOM 1430 CG2 ILE A 87 4.930 -4.083 -10.136 1.00 70.15 C ATOM 1431 CD1 ILE A 87 5.633 -3.414 -13.112 1.00 10.21 C ATOM 0 H ILE A 87 8.478 -2.346 -10.930 1.00 64.03 H new ATOM 0 HA ILE A 87 6.359 -1.870 -9.143 1.00 13.51 H new ATOM 0 HB ILE A 87 6.944 -4.359 -10.819 1.00 60.13 H new ATOM 0 HG12 ILE A 87 5.422 -1.841 -11.678 1.00 42.31 H new ATOM 0 HG13 ILE A 87 7.081 -2.184 -12.128 1.00 42.31 H new ATOM 0 HG21 ILE A 87 4.478 -4.642 -10.955 1.00 70.15 H new ATOM 0 HG22 ILE A 87 5.079 -4.745 -9.283 1.00 70.15 H new ATOM 0 HG23 ILE A 87 4.271 -3.264 -9.849 1.00 70.15 H new ATOM 0 HD11 ILE A 87 5.545 -2.731 -13.957 1.00 10.21 H new ATOM 0 HD12 ILE A 87 6.343 -4.204 -13.356 1.00 10.21 H new ATOM 0 HD13 ILE A 87 4.659 -3.855 -12.899 1.00 10.21 H new ATOM 1443 N ASP A 88 8.452 -4.297 -8.257 1.00 53.23 N ATOM 1444 CA ASP A 88 8.925 -5.154 -7.146 1.00 35.33 C ATOM 1445 C ASP A 88 9.306 -4.338 -5.891 1.00 71.41 C ATOM 1446 O ASP A 88 9.232 -4.865 -4.777 1.00 15.31 O ATOM 1447 CB ASP A 88 10.122 -6.027 -7.592 1.00 23.51 C ATOM 1448 CG ASP A 88 9.741 -7.054 -8.668 1.00 22.43 C ATOM 1449 OD1 ASP A 88 8.994 -7.994 -8.346 1.00 14.33 O ATOM 1450 OD2 ASP A 88 10.181 -6.935 -9.824 1.00 2.11 O ATOM 0 H ASP A 88 9.086 -4.277 -9.055 1.00 53.23 H new ATOM 0 HA ASP A 88 8.090 -5.801 -6.877 1.00 35.33 H new ATOM 0 HB2 ASP A 88 10.913 -5.382 -7.975 1.00 23.51 H new ATOM 0 HB3 ASP A 88 10.528 -6.549 -6.725 1.00 23.51 H new ATOM 1455 N LYS A 89 9.740 -3.072 -6.080 1.00 53.11 N ATOM 1456 CA LYS A 89 10.039 -2.157 -4.948 1.00 21.22 C ATOM 1457 C LYS A 89 8.748 -1.854 -4.149 1.00 42.04 C ATOM 1458 O LYS A 89 8.740 -1.886 -2.916 1.00 44.35 O ATOM 1459 CB LYS A 89 10.675 -0.836 -5.472 1.00 4.41 C ATOM 1460 CG LYS A 89 11.172 0.128 -4.363 1.00 33.42 C ATOM 1461 CD LYS A 89 11.812 1.429 -4.916 1.00 20.33 C ATOM 1462 CE LYS A 89 13.041 1.178 -5.816 1.00 14.51 C ATOM 1463 NZ LYS A 89 14.116 0.423 -5.123 1.00 10.31 N ATOM 0 H LYS A 89 9.892 -2.659 -7.000 1.00 53.11 H new ATOM 0 HA LYS A 89 10.753 -2.645 -4.285 1.00 21.22 H new ATOM 0 HB2 LYS A 89 11.515 -1.085 -6.121 1.00 4.41 H new ATOM 0 HB3 LYS A 89 9.941 -0.314 -6.086 1.00 4.41 H new ATOM 0 HG2 LYS A 89 10.333 0.391 -3.718 1.00 33.42 H new ATOM 0 HG3 LYS A 89 11.902 -0.391 -3.742 1.00 33.42 H new ATOM 0 HD2 LYS A 89 11.062 1.980 -5.484 1.00 20.33 H new ATOM 0 HD3 LYS A 89 12.108 2.063 -4.080 1.00 20.33 H new ATOM 0 HE2 LYS A 89 12.730 0.627 -6.703 1.00 14.51 H new ATOM 0 HE3 LYS A 89 13.437 2.134 -6.158 1.00 14.51 H new ATOM 0 HZ1 LYS A 89 14.936 0.327 -5.756 1.00 10.31 H new ATOM 0 HZ2 LYS A 89 14.400 0.934 -4.263 1.00 10.31 H new ATOM 0 HZ3 LYS A 89 13.766 -0.521 -4.865 1.00 10.31 H new ATOM 1477 N VAL A 90 7.656 -1.598 -4.894 1.00 34.33 N ATOM 1478 CA VAL A 90 6.304 -1.340 -4.328 1.00 73.42 C ATOM 1479 C VAL A 90 5.789 -2.570 -3.528 1.00 53.32 C ATOM 1480 O VAL A 90 5.301 -2.444 -2.395 1.00 65.42 O ATOM 1481 CB VAL A 90 5.278 -1.010 -5.486 1.00 14.31 C ATOM 1482 CG1 VAL A 90 3.904 -0.568 -4.928 1.00 73.22 C ATOM 1483 CG2 VAL A 90 5.853 0.036 -6.480 1.00 62.01 C ATOM 0 H VAL A 90 7.680 -1.563 -5.913 1.00 34.33 H new ATOM 0 HA VAL A 90 6.384 -0.487 -3.654 1.00 73.42 H new ATOM 0 HB VAL A 90 5.117 -1.933 -6.043 1.00 14.31 H new ATOM 0 HG11 VAL A 90 3.228 -0.351 -5.755 1.00 73.22 H new ATOM 0 HG12 VAL A 90 3.485 -1.368 -4.318 1.00 73.22 H new ATOM 0 HG13 VAL A 90 4.030 0.326 -4.318 1.00 73.22 H new ATOM 0 HG21 VAL A 90 5.120 0.237 -7.261 1.00 62.01 H new ATOM 0 HG22 VAL A 90 6.078 0.960 -5.947 1.00 62.01 H new ATOM 0 HG23 VAL A 90 6.766 -0.354 -6.931 1.00 62.01 H new ATOM 1493 N LYS A 91 5.949 -3.757 -4.146 1.00 64.33 N ATOM 1494 CA LYS A 91 5.478 -5.049 -3.596 1.00 72.41 C ATOM 1495 C LYS A 91 6.253 -5.410 -2.299 1.00 60.50 C ATOM 1496 O LYS A 91 5.652 -5.837 -1.317 1.00 2.30 O ATOM 1497 CB LYS A 91 5.628 -6.168 -4.684 1.00 32.53 C ATOM 1498 CG LYS A 91 4.585 -7.324 -4.630 1.00 52.24 C ATOM 1499 CD LYS A 91 4.663 -8.204 -3.364 1.00 15.10 C ATOM 1500 CE LYS A 91 3.678 -9.382 -3.390 1.00 2.20 C ATOM 1501 NZ LYS A 91 3.756 -10.182 -2.144 1.00 64.43 N ATOM 0 H LYS A 91 6.413 -3.849 -5.050 1.00 64.33 H new ATOM 0 HA LYS A 91 4.424 -4.964 -3.330 1.00 72.41 H new ATOM 0 HB2 LYS A 91 5.570 -5.700 -5.667 1.00 32.53 H new ATOM 0 HB3 LYS A 91 6.624 -6.601 -4.595 1.00 32.53 H new ATOM 0 HG2 LYS A 91 3.585 -6.896 -4.698 1.00 52.24 H new ATOM 0 HG3 LYS A 91 4.720 -7.958 -5.506 1.00 52.24 H new ATOM 0 HD2 LYS A 91 5.677 -8.588 -3.257 1.00 15.10 H new ATOM 0 HD3 LYS A 91 4.461 -7.588 -2.487 1.00 15.10 H new ATOM 0 HE2 LYS A 91 2.663 -9.006 -3.520 1.00 2.20 H new ATOM 0 HE3 LYS A 91 3.894 -10.020 -4.247 1.00 2.20 H new ATOM 0 HZ1 LYS A 91 4.152 -11.120 -2.358 1.00 64.43 H new ATOM 0 HZ2 LYS A 91 4.367 -9.696 -1.457 1.00 64.43 H new ATOM 0 HZ3 LYS A 91 2.803 -10.292 -1.742 1.00 64.43 H new ATOM 1515 N LYS A 92 7.589 -5.209 -2.321 1.00 74.31 N ATOM 1516 CA LYS A 92 8.494 -5.521 -1.187 1.00 65.11 C ATOM 1517 C LYS A 92 8.155 -4.690 0.071 1.00 63.32 C ATOM 1518 O LYS A 92 8.244 -5.174 1.206 1.00 62.44 O ATOM 1519 CB LYS A 92 9.963 -5.264 -1.601 1.00 40.12 C ATOM 1520 CG LYS A 92 11.008 -5.620 -0.520 1.00 53.24 C ATOM 1521 CD LYS A 92 11.127 -7.144 -0.278 1.00 4.11 C ATOM 1522 CE LYS A 92 12.100 -7.492 0.863 1.00 13.15 C ATOM 1523 NZ LYS A 92 12.265 -8.957 1.025 1.00 25.13 N ATOM 0 H LYS A 92 8.075 -4.823 -3.130 1.00 74.31 H new ATOM 0 HA LYS A 92 8.356 -6.573 -0.937 1.00 65.11 H new ATOM 0 HB2 LYS A 92 10.179 -5.840 -2.500 1.00 40.12 H new ATOM 0 HB3 LYS A 92 10.074 -4.212 -1.862 1.00 40.12 H new ATOM 0 HG2 LYS A 92 11.980 -5.227 -0.818 1.00 53.24 H new ATOM 0 HG3 LYS A 92 10.739 -5.128 0.415 1.00 53.24 H new ATOM 0 HD2 LYS A 92 10.142 -7.548 -0.045 1.00 4.11 H new ATOM 0 HD3 LYS A 92 11.462 -7.628 -1.195 1.00 4.11 H new ATOM 0 HE2 LYS A 92 13.070 -7.038 0.663 1.00 13.15 H new ATOM 0 HE3 LYS A 92 11.733 -7.063 1.796 1.00 13.15 H new ATOM 0 HZ1 LYS A 92 12.928 -9.148 1.803 1.00 25.13 H new ATOM 0 HZ2 LYS A 92 11.344 -9.388 1.241 1.00 25.13 H new ATOM 0 HZ3 LYS A 92 12.639 -9.364 0.144 1.00 25.13 H new ATOM 1537 N LYS A 93 7.782 -3.431 -0.154 1.00 0.10 N ATOM 1538 CA LYS A 93 7.396 -2.502 0.924 1.00 43.13 C ATOM 1539 C LYS A 93 6.035 -2.877 1.552 1.00 15.42 C ATOM 1540 O LYS A 93 5.827 -2.667 2.747 1.00 43.43 O ATOM 1541 CB LYS A 93 7.389 -1.057 0.383 1.00 63.42 C ATOM 1542 CG LYS A 93 8.789 -0.539 -0.030 1.00 41.24 C ATOM 1543 CD LYS A 93 9.798 -0.528 1.146 1.00 42.32 C ATOM 1544 CE LYS A 93 11.217 -0.125 0.705 1.00 24.12 C ATOM 1545 NZ LYS A 93 12.157 -0.077 1.852 1.00 64.32 N ATOM 0 H LYS A 93 7.737 -3.020 -1.086 1.00 0.10 H new ATOM 0 HA LYS A 93 8.134 -2.577 1.723 1.00 43.13 H new ATOM 0 HB2 LYS A 93 6.723 -1.004 -0.479 1.00 63.42 H new ATOM 0 HB3 LYS A 93 6.977 -0.395 1.145 1.00 63.42 H new ATOM 0 HG2 LYS A 93 9.180 -1.165 -0.832 1.00 41.24 H new ATOM 0 HG3 LYS A 93 8.694 0.470 -0.430 1.00 41.24 H new ATOM 0 HD2 LYS A 93 9.449 0.164 1.912 1.00 42.32 H new ATOM 0 HD3 LYS A 93 9.830 -1.518 1.601 1.00 42.32 H new ATOM 0 HE2 LYS A 93 11.583 -0.836 -0.036 1.00 24.12 H new ATOM 0 HE3 LYS A 93 11.184 0.851 0.221 1.00 24.12 H new ATOM 0 HZ1 LYS A 93 13.102 0.198 1.515 1.00 64.32 H new ATOM 0 HZ2 LYS A 93 11.821 0.620 2.547 1.00 64.32 H new ATOM 0 HZ3 LYS A 93 12.208 -1.015 2.299 1.00 64.32 H new ATOM 1559 N LEU A 94 5.123 -3.449 0.748 1.00 63.30 N ATOM 1560 CA LEU A 94 3.824 -3.957 1.254 1.00 23.34 C ATOM 1561 C LEU A 94 3.988 -5.349 1.934 1.00 73.13 C ATOM 1562 O LEU A 94 3.218 -5.711 2.833 1.00 31.35 O ATOM 1563 CB LEU A 94 2.779 -4.021 0.117 1.00 44.12 C ATOM 1564 CG LEU A 94 1.319 -4.334 0.576 1.00 12.35 C ATOM 1565 CD1 LEU A 94 0.772 -3.232 1.515 1.00 40.11 C ATOM 1566 CD2 LEU A 94 0.394 -4.540 -0.630 1.00 33.22 C ATOM 0 H LEU A 94 5.256 -3.574 -0.256 1.00 63.30 H new ATOM 0 HA LEU A 94 3.465 -3.258 2.009 1.00 23.34 H new ATOM 0 HB2 LEU A 94 2.781 -3.068 -0.411 1.00 44.12 H new ATOM 0 HB3 LEU A 94 3.090 -4.782 -0.599 1.00 44.12 H new ATOM 0 HG LEU A 94 1.345 -5.265 1.142 1.00 12.35 H new ATOM 0 HD11 LEU A 94 -0.246 -3.482 1.815 1.00 40.11 H new ATOM 0 HD12 LEU A 94 1.404 -3.161 2.400 1.00 40.11 H new ATOM 0 HD13 LEU A 94 0.772 -2.276 0.992 1.00 40.11 H new ATOM 0 HD21 LEU A 94 -0.616 -4.756 -0.281 1.00 33.22 H new ATOM 0 HD22 LEU A 94 0.382 -3.635 -1.238 1.00 33.22 H new ATOM 0 HD23 LEU A 94 0.758 -5.375 -1.229 1.00 33.22 H new ATOM 1578 N ASP A 95 4.994 -6.124 1.476 1.00 15.40 N ATOM 1579 CA ASP A 95 5.463 -7.350 2.167 1.00 11.05 C ATOM 1580 C ASP A 95 5.924 -7.011 3.593 1.00 75.23 C ATOM 1581 O ASP A 95 5.616 -7.726 4.554 1.00 41.45 O ATOM 1582 CB ASP A 95 6.644 -7.994 1.385 1.00 42.41 C ATOM 1583 CG ASP A 95 6.211 -8.796 0.149 1.00 44.01 C ATOM 1584 OD1 ASP A 95 5.183 -9.503 0.216 1.00 73.24 O ATOM 1585 OD2 ASP A 95 6.915 -8.752 -0.886 1.00 71.44 O ATOM 0 H ASP A 95 5.505 -5.920 0.617 1.00 15.40 H new ATOM 0 HA ASP A 95 4.634 -8.056 2.212 1.00 11.05 H new ATOM 0 HB2 ASP A 95 7.331 -7.208 1.073 1.00 42.41 H new ATOM 0 HB3 ASP A 95 7.196 -8.651 2.057 1.00 42.41 H new ATOM 1590 N MET A 96 6.672 -5.899 3.690 1.00 44.04 N ATOM 1591 CA MET A 96 7.102 -5.315 4.967 1.00 74.42 C ATOM 1592 C MET A 96 5.887 -4.922 5.839 1.00 33.23 C ATOM 1593 O MET A 96 5.866 -5.254 7.001 1.00 72.02 O ATOM 1594 CB MET A 96 8.018 -4.086 4.717 1.00 3.35 C ATOM 1595 CG MET A 96 8.369 -3.271 5.979 1.00 21.25 C ATOM 1596 SD MET A 96 9.274 -1.752 5.624 1.00 15.00 S ATOM 1597 CE MET A 96 9.490 -1.085 7.278 1.00 41.01 C ATOM 0 H MET A 96 6.997 -5.377 2.876 1.00 44.04 H new ATOM 0 HA MET A 96 7.671 -6.069 5.510 1.00 74.42 H new ATOM 0 HB2 MET A 96 8.944 -4.429 4.254 1.00 3.35 H new ATOM 0 HB3 MET A 96 7.529 -3.426 4.000 1.00 3.35 H new ATOM 0 HG2 MET A 96 7.449 -3.022 6.508 1.00 21.25 H new ATOM 0 HG3 MET A 96 8.964 -3.891 6.649 1.00 21.25 H new ATOM 0 HE1 MET A 96 10.035 -0.143 7.222 1.00 41.01 H new ATOM 0 HE2 MET A 96 8.514 -0.913 7.731 1.00 41.01 H new ATOM 0 HE3 MET A 96 10.053 -1.794 7.886 1.00 41.01 H new ATOM 1607 N VAL A 97 4.881 -4.234 5.259 1.00 40.22 N ATOM 1608 CA VAL A 97 3.646 -3.815 5.995 1.00 63.54 C ATOM 1609 C VAL A 97 2.889 -5.028 6.612 1.00 63.23 C ATOM 1610 O VAL A 97 2.437 -4.972 7.762 1.00 60.01 O ATOM 1611 CB VAL A 97 2.690 -2.983 5.057 1.00 41.02 C ATOM 1612 CG1 VAL A 97 1.326 -2.657 5.729 1.00 32.34 C ATOM 1613 CG2 VAL A 97 3.393 -1.685 4.591 1.00 73.11 C ATOM 0 H VAL A 97 4.890 -3.951 4.279 1.00 40.22 H new ATOM 0 HA VAL A 97 3.966 -3.180 6.821 1.00 63.54 H new ATOM 0 HB VAL A 97 2.471 -3.605 4.189 1.00 41.02 H new ATOM 0 HG11 VAL A 97 0.708 -2.083 5.038 1.00 32.34 H new ATOM 0 HG12 VAL A 97 0.816 -3.585 5.986 1.00 32.34 H new ATOM 0 HG13 VAL A 97 1.496 -2.074 6.634 1.00 32.34 H new ATOM 0 HG21 VAL A 97 2.722 -1.120 3.944 1.00 73.11 H new ATOM 0 HG22 VAL A 97 3.654 -1.081 5.460 1.00 73.11 H new ATOM 0 HG23 VAL A 97 4.299 -1.939 4.041 1.00 73.11 H new ATOM 1623 N THR A 98 2.796 -6.125 5.840 1.00 54.41 N ATOM 1624 CA THR A 98 2.215 -7.410 6.310 1.00 2.24 C ATOM 1625 C THR A 98 3.048 -8.005 7.476 1.00 40.42 C ATOM 1626 O THR A 98 2.505 -8.449 8.492 1.00 61.31 O ATOM 1627 CB THR A 98 2.152 -8.452 5.139 1.00 1.51 C ATOM 1628 OG1 THR A 98 1.351 -7.933 4.064 1.00 71.42 O ATOM 1629 CG2 THR A 98 1.578 -9.811 5.586 1.00 1.50 C ATOM 0 H THR A 98 3.119 -6.153 4.873 1.00 54.41 H new ATOM 0 HA THR A 98 1.205 -7.202 6.664 1.00 2.24 H new ATOM 0 HB THR A 98 3.177 -8.617 4.806 1.00 1.51 H new ATOM 0 HG1 THR A 98 1.849 -7.232 3.594 1.00 71.42 H new ATOM 0 HG21 THR A 98 1.557 -10.494 4.737 1.00 1.50 H new ATOM 0 HG22 THR A 98 2.205 -10.230 6.373 1.00 1.50 H new ATOM 0 HG23 THR A 98 0.565 -9.671 5.965 1.00 1.50 H new ATOM 1637 N ARG A 99 4.382 -7.978 7.306 1.00 3.32 N ATOM 1638 CA ARG A 99 5.354 -8.515 8.290 1.00 44.43 C ATOM 1639 C ARG A 99 5.381 -7.658 9.583 1.00 12.11 C ATOM 1640 O ARG A 99 5.563 -8.191 10.674 1.00 63.03 O ATOM 1641 CB ARG A 99 6.753 -8.598 7.605 1.00 52.25 C ATOM 1642 CG ARG A 99 7.900 -9.289 8.413 1.00 71.44 C ATOM 1643 CD ARG A 99 8.661 -8.336 9.358 1.00 40.32 C ATOM 1644 NE ARG A 99 9.597 -9.047 10.241 1.00 71.02 N ATOM 1645 CZ ARG A 99 10.319 -8.491 11.184 1.00 42.40 C ATOM 1646 NH1 ARG A 99 10.268 -7.215 11.421 1.00 62.54 N ATOM 1647 NH2 ARG A 99 11.087 -9.234 11.906 1.00 14.45 N ATOM 0 H ARG A 99 4.825 -7.581 6.477 1.00 3.32 H new ATOM 0 HA ARG A 99 5.053 -9.515 8.602 1.00 44.43 H new ATOM 0 HB2 ARG A 99 6.637 -9.129 6.660 1.00 52.25 H new ATOM 0 HB3 ARG A 99 7.072 -7.584 7.363 1.00 52.25 H new ATOM 0 HG2 ARG A 99 7.477 -10.105 8.999 1.00 71.44 H new ATOM 0 HG3 ARG A 99 8.608 -9.733 7.713 1.00 71.44 H new ATOM 0 HD2 ARG A 99 9.210 -7.604 8.766 1.00 40.32 H new ATOM 0 HD3 ARG A 99 7.944 -7.782 9.964 1.00 40.32 H new ATOM 0 HE ARG A 99 9.693 -10.054 10.110 1.00 71.02 H new ATOM 0 HH11 ARG A 99 9.655 -6.617 10.867 1.00 62.54 H new ATOM 0 HH12 ARG A 99 10.841 -6.810 12.161 1.00 62.54 H new ATOM 0 HH21 ARG A 99 11.127 -10.240 11.740 1.00 14.45 H new ATOM 0 HH22 ARG A 99 11.655 -8.816 12.643 1.00 14.45 H new ATOM 1661 N GLU A 100 5.194 -6.332 9.442 1.00 65.41 N ATOM 1662 CA GLU A 100 5.158 -5.370 10.575 1.00 54.42 C ATOM 1663 C GLU A 100 3.812 -5.447 11.319 1.00 1.44 C ATOM 1664 O GLU A 100 3.744 -5.144 12.508 1.00 60.55 O ATOM 1665 CB GLU A 100 5.418 -3.909 10.090 1.00 52.10 C ATOM 1666 CG GLU A 100 6.831 -3.640 9.515 1.00 62.14 C ATOM 1667 CD GLU A 100 7.988 -3.991 10.475 1.00 0.11 C ATOM 1668 OE1 GLU A 100 8.278 -3.196 11.398 1.00 2.10 O ATOM 1669 OE2 GLU A 100 8.619 -5.062 10.306 1.00 61.04 O ATOM 0 H GLU A 100 5.062 -5.888 8.533 1.00 65.41 H new ATOM 0 HA GLU A 100 5.956 -5.649 11.263 1.00 54.42 H new ATOM 0 HB2 GLU A 100 4.681 -3.661 9.326 1.00 52.10 H new ATOM 0 HB3 GLU A 100 5.250 -3.231 10.927 1.00 52.10 H new ATOM 0 HG2 GLU A 100 6.951 -4.214 8.596 1.00 62.14 H new ATOM 0 HG3 GLU A 100 6.906 -2.587 9.245 1.00 62.14 H new